Browse entries in the PDBbind-CN Database
HEADER 5NAI_COMPLEX COMPND 5NAI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 231 GLY GLU TYR PRO THR VAL ASN GLU ILE PRO VAL GLY GLU SEQRES 2 A 231 VAL ARG LEU TYR GLN ILE ALA ASP GLY VAL TRP SER HIS SEQRES 3 A 231 ILE ALA THR GLN SER PHE ASP GLY ALA VAL TYR PRO SER SEQRES 4 A 231 ASN GLY LEU ILE VAL ARG ASP GLY ASP GLU LEU LEU LEU SEQRES 5 A 231 ILE ASP THR ALA TRP GLY ALA LYS ASN THR ALA ALA LEU SEQRES 6 A 231 LEU ALA GLU ILE GLU LYS GLN ILE GLY LEU PRO VAL THR SEQRES 7 A 231 ARG ALA VAL SER THR HIS PHE HIS ASP ASP ARG VAL GLY SEQRES 8 A 231 GLY VAL ASP VAL LEU ARG LYS ALA GLY VAL ALA THR TYR SEQRES 9 A 231 ALA SER PRO SER THR ARG ARG LEU ALA GLU ALA GLU GLY SEQRES 10 A 231 ASN GLU ILE PRO THR HIS SER LEU GLU GLY LEU SER SER SEQRES 11 A 231 SER GLY ASP ALA VAL ARG PHE GLY PRO VAL GLU LEU PHE SEQRES 12 A 231 TYR PRO GLY ALA ALA HIS SER THR ASP ASN LEU VAL VAL SEQRES 13 A 231 TYR VAL PRO SER ALA ASN VAL LEU TYR GLY GLY CSD ALA SEQRES 14 A 231 VAL LEU ALA LEU SER ARG THR SER ALA GLY ASN VAL ALA SEQRES 15 A 231 ASP ALA ASP LEU ALA GLU TRP PRO THR SER VAL GLU ARG SEQRES 16 A 231 ILE GLN LYS HIS TYR PRO GLU ALA GLU VAL VAL ILE PRO SEQRES 17 A 231 GLY HIS GLY LEU PRO GLY GLY LEU ASP LEU LEU GLN HIS SEQRES 18 A 231 THR ALA ASN VAL VAL THR ALA HIS LYS ASN HET CSD A 198 9 HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET UNN A 513 44 ATOM 1 CA GLY A 31 -2.967 -6.000 12.966 1.00 46.15 C ATOM 2 C GLY A 31 -1.727 -5.851 13.828 1.00 54.54 C ATOM 3 O GLY A 31 -1.109 -4.789 13.851 1.00 45.82 O ATOM 4 N GLU A 32 -1.383 -6.910 14.559 1.00 46.95 N ATOM 5 CA GLU A 32 -0.097 -6.965 15.236 1.00 29.03 C ATOM 6 C GLU A 32 1.000 -7.185 14.206 1.00 21.50 C ATOM 7 O GLU A 32 0.744 -7.579 13.067 1.00 24.70 O ATOM 8 CB GLU A 32 -0.050 -8.125 16.220 1.00 34.11 C ATOM 9 H GLU A 32 -2.043 -7.709 14.647 1.00 0.00 H ATOM 10 N TYR A 33 2.243 -6.893 14.595 1.00 20.51 N ATOM 11 CA TYR A 33 3.350 -7.050 13.659 1.00 16.46 C ATOM 12 C TYR A 33 3.579 -8.539 13.436 1.00 16.27 C ATOM 13 O TYR A 33 3.690 -9.292 14.400 1.00 18.75 O ATOM 14 CB TYR A 33 4.618 -6.401 14.178 1.00 16.43 C ATOM 15 CG TYR A 33 5.586 -6.084 13.066 1.00 14.72 C ATOM 16 CD1 TYR A 33 5.482 -4.893 12.364 1.00 15.34 C ATOM 17 CD2 TYR A 33 6.568 -6.987 12.679 1.00 14.67 C ATOM 18 CE1 TYR A 33 6.338 -4.590 11.323 1.00 14.49 C ATOM 19 CE2 TYR A 33 7.453 -6.679 11.649 1.00 13.42 C ATOM 20 CZ TYR A 33 7.319 -5.481 10.967 1.00 13.76 C ATOM 21 OH TYR A 33 8.146 -5.116 9.931 1.00 13.73 O ATOM 22 HH TYR A 33 7.874 -4.227 9.590 1.00 0.00 H ATOM 23 H TYR A 33 2.421 -6.555 15.562 1.00 0.00 H ATOM 24 N PRO A 34 3.639 -9.004 12.194 1.00 16.85 N ATOM 25 CA PRO A 34 3.725 -10.449 11.971 1.00 18.55 C ATOM 26 C PRO A 34 5.100 -10.981 12.322 1.00 17.94 C ATOM 27 O PRO A 34 6.125 -10.339 12.070 1.00 18.85 O ATOM 28 CB PRO A 34 3.425 -10.600 10.480 1.00 20.18 C ATOM 29 CG PRO A 34 3.844 -9.327 9.885 1.00 19.58 C ATOM 30 CD PRO A 34 3.555 -8.260 10.935 1.00 16.80 C ATOM 31 N THR A 35 5.103 -12.180 12.890 1.00 21.34 N ATOM 32 CA THR A 35 6.311 -12.877 13.302 1.00 21.14 C ATOM 33 C THR A 35 6.571 -14.060 12.377 1.00 20.68 C ATOM 34 O THR A 35 5.769 -14.396 11.499 1.00 20.71 O ATOM 35 CB THR A 35 6.184 -13.324 14.762 1.00 24.89 C ATOM 36 OG1 THR A 35 5.068 -14.211 14.890 1.00 28.25 O ATOM 37 CG2 THR A 35 5.952 -12.114 15.659 1.00 29.52 C ATOM 38 HG1 THR A 35 5.209 -15.002 14.312 1.00 0.00 H ATOM 39 H THR A 35 4.188 -12.649 13.050 1.00 0.00 H ATOM 40 N VAL A 36 7.721 -14.695 12.597 1.00 19.39 N ATOM 41 CA VAL A 36 8.238 -15.664 11.635 1.00 19.46 C ATOM 42 C VAL A 36 7.254 -16.807 11.417 1.00 21.07 C ATOM 43 O VAL A 36 7.079 -17.283 10.289 1.00 23.51 O ATOM 44 CB VAL A 36 9.628 -16.164 12.068 1.00 19.87 C ATOM 45 CG1 VAL A 36 9.538 -16.962 13.361 1.00 27.22 C ATOM 46 CG2 VAL A 36 10.267 -16.965 10.958 1.00 20.46 C ATOM 47 H VAL A 36 8.258 -14.498 13.466 1.00 0.00 H ATOM 48 N ASN A 37 6.606 -17.280 12.481 1.00 22.65 N ATOM 49 CA ASN A 37 5.735 -18.445 12.369 1.00 30.98 C ATOM 50 C ASN A 37 4.389 -18.110 11.750 1.00 29.15 C ATOM 51 O ASN A 37 3.590 -19.023 11.510 1.00 36.37 O ATOM 52 CB ASN A 37 5.536 -19.106 13.738 1.00 31.94 C ATOM 53 CG ASN A 37 6.811 -19.727 14.273 1.00 47.39 C ATOM 54 OD1 ASN A 37 7.550 -20.381 13.537 1.00 44.50 O ATOM 55 ND2 ASN A 37 7.083 -19.515 15.556 1.00 57.70 N ATOM 56 HD22 ASN A 37 6.429 -18.956 16.141 1.00 0.00 H ATOM 57 HD21 ASN A 37 7.950 -19.908 15.976 1.00 0.00 H ATOM 58 H ASN A 37 6.723 -16.813 13.403 1.00 0.00 H ATOM 59 N GLU A 38 4.123 -16.839 11.478 1.00 24.19 N ATOM 60 CA GLU A 38 2.874 -16.410 10.883 1.00 23.20 C ATOM 61 C GLU A 38 2.990 -16.177 9.387 1.00 24.07 C ATOM 62 O GLU A 38 1.979 -15.893 8.744 1.00 27.69 O ATOM 63 CB GLU A 38 2.374 -15.147 11.593 1.00 26.02 C ATOM 64 CG GLU A 38 2.134 -15.387 13.090 1.00 26.74 C ATOM 65 CD GLU A 38 1.786 -14.136 13.862 1.00 30.64 C ATOM 66 OE1 GLU A 38 2.175 -13.028 13.458 1.00 29.01 O ATOM 67 OE2 GLU A 38 1.116 -14.278 14.904 1.00 42.79 O ATOM 68 H GLU A 38 4.841 -16.121 11.701 1.00 0.00 H ATOM 69 N ILE A 39 4.191 -16.289 8.818 1.00 20.18 N ATOM 70 CA ILE A 39 4.408 -16.024 7.396 1.00 19.89 C ATOM 71 C ILE A 39 5.059 -17.241 6.748 1.00 19.48 C ATOM 72 O ILE A 39 6.274 -17.470 6.927 1.00 19.33 O ATOM 73 CB ILE A 39 5.275 -14.782 7.153 1.00 17.16 C ATOM 74 CG1 ILE A 39 4.719 -13.556 7.882 1.00 20.46 C ATOM 75 CG2 ILE A 39 5.338 -14.507 5.656 1.00 19.72 C ATOM 76 CD1 ILE A 39 5.648 -12.363 7.792 1.00 20.21 C ATOM 77 H ILE A 39 5.001 -16.574 9.405 1.00 0.00 H ATOM 78 N PRO A 40 4.321 -18.020 5.958 1.00 19.03 N ATOM 79 CA PRO A 40 4.959 -19.108 5.205 1.00 20.25 C ATOM 80 C PRO A 40 6.004 -18.557 4.245 1.00 19.34 C ATOM 81 O PRO A 40 5.848 -17.468 3.685 1.00 19.66 O ATOM 82 CB PRO A 40 3.792 -19.748 4.440 1.00 22.36 C ATOM 83 CG PRO A 40 2.556 -19.329 5.173 1.00 27.53 C ATOM 84 CD PRO A 40 2.861 -17.986 5.739 1.00 20.68 C ATOM 85 N VAL A 41 7.085 -19.316 4.057 1.00 18.69 N ATOM 86 CA VAL A 41 8.103 -18.902 3.101 1.00 18.98 C ATOM 87 C VAL A 41 7.451 -18.824 1.731 1.00 18.73 C ATOM 88 O VAL A 41 6.795 -19.777 1.281 1.00 20.97 O ATOM 89 CB VAL A 41 9.290 -19.878 3.116 1.00 19.12 C ATOM 90 CG1 VAL A 41 10.293 -19.530 2.021 1.00 19.15 C ATOM 91 CG2 VAL A 41 9.982 -19.862 4.471 1.00 20.01 C ATOM 92 H VAL A 41 7.200 -20.201 4.591 1.00 0.00 H ATOM 93 N GLY A 42 7.594 -17.680 1.076 1.00 18.05 N ATOM 94 CA GLY A 42 6.954 -17.429 -0.200 1.00 18.71 C ATOM 95 C GLY A 42 5.833 -16.413 -0.150 1.00 19.27 C ATOM 96 O GLY A 42 5.398 -15.952 -1.214 1.00 22.60 O ATOM 97 H GLY A 42 8.188 -16.935 1.493 1.00 0.00 H ATOM 98 N GLU A 43 5.340 -16.068 1.033 1.00 18.67 N ATOM 99 CA GLU A 43 4.298 -15.062 1.197 1.00 19.41 C ATOM 100 C GLU A 43 4.901 -13.791 1.772 1.00 16.27 C ATOM 101 O GLU A 43 5.937 -13.827 2.440 1.00 17.42 O ATOM 102 CB GLU A 43 3.199 -15.572 2.132 1.00 24.05 C ATOM 103 CG GLU A 43 2.533 -16.838 1.604 1.00 25.83 C ATOM 104 CD GLU A 43 1.256 -17.219 2.341 1.00 41.01 C ATOM 105 OE1 GLU A 43 0.830 -16.490 3.257 1.00 34.28 O ATOM 106 OE2 GLU A 43 0.670 -18.264 1.990 1.00 46.30 O ATOM 107 H GLU A 43 5.714 -16.537 1.882 1.00 0.00 H ATOM 108 N VAL A 44 4.252 -12.653 1.506 1.00 16.14 N ATOM 109 CA VAL A 44 4.720 -11.360 1.991 1.00 15.09 C ATOM 110 C VAL A 44 3.554 -10.629 2.637 1.00 15.25 C ATOM 111 O VAL A 44 2.439 -10.617 2.113 1.00 16.99 O ATOM 112 CB VAL A 44 5.345 -10.511 0.859 1.00 16.18 C ATOM 113 CG1 VAL A 44 5.772 -9.147 1.353 1.00 18.22 C ATOM 114 CG2 VAL A 44 6.543 -11.232 0.279 1.00 17.16 C ATOM 115 H VAL A 44 3.384 -12.691 0.934 1.00 0.00 H ATOM 116 N ARG A 45 3.816 -10.031 3.789 1.00 14.45 N ATOM 117 CA ARG A 45 2.860 -9.183 4.484 1.00 15.13 C ATOM 118 C ARG A 45 3.322 -7.736 4.406 1.00 14.03 C ATOM 119 O ARG A 45 4.522 -7.455 4.345 1.00 13.73 O ATOM 120 CB ARG A 45 2.787 -9.553 5.969 1.00 16.71 C ATOM 121 CG ARG A 45 2.541 -11.019 6.255 1.00 23.34 C ATOM 122 CD ARG A 45 1.108 -11.395 5.985 1.00 30.22 C ATOM 123 NE ARG A 45 0.792 -12.703 6.557 1.00 40.05 N ATOM 124 CZ ARG A 45 0.801 -13.853 5.889 1.00 43.80 C ATOM 125 NH1 ARG A 45 0.499 -14.980 6.520 1.00 48.51 N ATOM 126 NH2 ARG A 45 1.103 -13.888 4.599 1.00 52.98 N ATOM 127 HE ARG A 45 0.540 -12.737 7.566 1.00 0.00 H ATOM 128 HH12 ARG A 45 0.504 -15.883 6.003 1.00 0.00 H ATOM 129 HH11 ARG A 45 0.257 -14.961 7.531 1.00 0.00 H ATOM 130 HH22 ARG A 45 1.106 -14.795 4.090 1.00 0.00 H ATOM 131 HH21 ARG A 45 1.337 -13.009 4.096 1.00 0.00 H ATOM 132 H ARG A 45 4.752 -10.175 4.218 1.00 0.00 H ATOM 133 N LEU A 46 2.361 -6.819 4.421 1.00 14.62 N ATOM 134 CA LEU A 46 2.640 -5.396 4.564 1.00 14.24 C ATOM 135 C LEU A 46 2.118 -4.927 5.916 1.00 14.34 C ATOM 136 O LEU A 46 1.082 -5.407 6.388 1.00 16.67 O ATOM 137 CB LEU A 46 2.003 -4.564 3.447 1.00 15.56 C ATOM 138 CG LEU A 46 2.327 -5.020 2.033 1.00 15.65 C ATOM 139 CD1 LEU A 46 1.707 -4.055 1.045 1.00 19.32 C ATOM 140 CD2 LEU A 46 3.799 -5.140 1.764 1.00 16.09 C ATOM 141 H LEU A 46 1.373 -7.128 4.327 1.00 0.00 H ATOM 142 N TYR A 47 2.791 -3.954 6.511 1.00 13.98 N ATOM 143 CA TYR A 47 2.394 -3.403 7.802 1.00 14.01 C ATOM 144 C TYR A 47 2.495 -1.888 7.721 1.00 14.08 C ATOM 145 O TYR A 47 3.568 -1.358 7.443 1.00 14.60 O ATOM 146 CB TYR A 47 3.282 -3.963 8.910 1.00 14.81 C ATOM 147 CG TYR A 47 2.933 -3.499 10.298 1.00 15.41 C ATOM 148 CD1 TYR A 47 3.479 -2.340 10.812 1.00 17.04 C ATOM 149 CD2 TYR A 47 2.083 -4.234 11.093 1.00 16.82 C ATOM 150 CE1 TYR A 47 3.194 -1.917 12.102 1.00 18.59 C ATOM 151 CE2 TYR A 47 1.777 -3.817 12.398 1.00 17.75 C ATOM 152 CZ TYR A 47 2.343 -2.658 12.886 1.00 17.81 C ATOM 153 OH TYR A 47 2.056 -2.237 14.171 1.00 21.88 O ATOM 154 HH TYR A 47 1.082 -2.083 14.257 1.00 0.00 H ATOM 155 H TYR A 47 3.634 -3.568 6.040 1.00 0.00 H ATOM 156 N GLN A 48 1.391 -1.194 7.964 1.00 15.24 N ATOM 157 CA GLN A 48 1.395 0.263 7.882 1.00 15.85 C ATOM 158 C GLN A 48 2.076 0.849 9.110 1.00 16.06 C ATOM 159 O GLN A 48 1.653 0.616 10.250 1.00 18.12 O ATOM 160 CB GLN A 48 -0.017 0.816 7.729 1.00 21.36 C ATOM 161 CG GLN A 48 -0.009 2.319 7.466 1.00 25.31 C ATOM 162 CD GLN A 48 -1.125 2.774 6.548 1.00 36.27 C ATOM 163 OE1 GLN A 48 -2.099 2.058 6.330 1.00 47.84 O ATOM 164 NE2 GLN A 48 -0.982 3.973 5.999 1.00 43.51 N ATOM 165 HE22 GLN A 48 -0.140 4.545 6.212 1.00 0.00 H ATOM 166 HE21 GLN A 48 -1.712 4.341 5.356 1.00 0.00 H ATOM 167 H GLN A 48 0.514 -1.693 8.215 1.00 0.00 H ATOM 168 N ILE A 49 3.136 1.602 8.873 1.00 15.07 N ATOM 169 CA ILE A 49 3.900 2.252 9.942 1.00 16.53 C ATOM 170 C ILE A 49 3.409 3.667 10.194 1.00 16.99 C ATOM 171 O ILE A 49 3.346 4.115 11.342 1.00 20.69 O ATOM 172 CB ILE A 49 5.394 2.259 9.561 1.00 16.20 C ATOM 173 CG1 ILE A 49 5.947 0.841 9.414 1.00 16.75 C ATOM 174 CG2 ILE A 49 6.217 3.049 10.589 1.00 20.14 C ATOM 175 CD1 ILE A 49 6.217 0.076 10.680 1.00 18.72 C ATOM 176 H ILE A 49 3.440 1.739 7.888 1.00 0.00 H ATOM 177 N ALA A 50 3.092 4.392 9.128 1.00 17.70 N ATOM 178 CA ALA A 50 2.688 5.785 9.190 1.00 19.36 C ATOM 179 C ALA A 50 1.967 6.083 7.888 1.00 19.02 C ATOM 180 O ALA A 50 1.921 5.250 6.985 1.00 18.54 O ATOM 181 CB ALA A 50 3.909 6.693 9.368 1.00 20.47 C ATOM 182 H ALA A 50 3.136 3.936 8.195 1.00 0.00 H ATOM 183 N ASP A 51 1.395 7.271 7.793 1.00 21.61 N ATOM 184 CA ASP A 51 0.813 7.689 6.528 1.00 21.69 C ATOM 185 C ASP A 51 1.861 7.590 5.427 1.00 19.52 C ATOM 186 O ASP A 51 2.919 8.209 5.512 1.00 21.75 O ATOM 187 CB ASP A 51 0.337 9.133 6.676 1.00 27.04 C ATOM 188 CG ASP A 51 -0.485 9.610 5.494 1.00 37.45 C ATOM 189 OD1 ASP A 51 -0.719 8.822 4.556 1.00 42.23 O ATOM 190 OD2 ASP A 51 -0.912 10.784 5.513 1.00 52.38 O ATOM 191 H ASP A 51 1.362 7.903 8.618 1.00 0.00 H ATOM 192 N GLY A 52 1.577 6.796 4.401 1.00 20.39 N ATOM 193 CA GLY A 52 2.513 6.653 3.295 1.00 19.36 C ATOM 194 C GLY A 52 3.788 5.888 3.591 1.00 17.69 C ATOM 195 O GLY A 52 4.741 5.976 2.803 1.00 17.67 O ATOM 196 H GLY A 52 0.679 6.272 4.387 1.00 0.00 H ATOM 197 N VAL A 53 3.836 5.126 4.682 1.00 15.44 N ATOM 198 CA VAL A 53 5.023 4.343 5.024 1.00 14.01 C ATOM 199 C VAL A 53 4.575 2.966 5.490 1.00 13.89 C ATOM 200 O VAL A 53 3.762 2.853 6.414 1.00 14.79 O ATOM 201 CB VAL A 53 5.881 5.003 6.123 1.00 15.34 C ATOM 202 CG1 VAL A 53 7.151 4.190 6.354 1.00 16.26 C ATOM 203 CG2 VAL A 53 6.214 6.454 5.797 1.00 16.55 C ATOM 204 H VAL A 53 3.007 5.087 5.308 1.00 0.00 H ATOM 205 N TRP A 54 5.102 1.925 4.865 1.00 12.38 N ATOM 206 CA TRP A 54 4.822 0.550 5.235 1.00 12.68 C ATOM 207 C TRP A 54 6.143 -0.177 5.404 1.00 12.86 C ATOM 208 O TRP A 54 7.144 0.178 4.772 1.00 13.54 O ATOM 209 CB TRP A 54 4.069 -0.181 4.115 1.00 14.03 C ATOM 210 CG TRP A 54 2.751 0.393 3.733 1.00 15.61 C ATOM 211 CD1 TRP A 54 1.527 -0.060 4.122 1.00 16.72 C ATOM 212 CD2 TRP A 54 2.502 1.511 2.853 1.00 15.34 C ATOM 213 NE1 TRP A 54 0.538 0.697 3.547 1.00 18.11 N ATOM 214 CE2 TRP A 54 1.110 1.668 2.770 1.00 17.39 C ATOM 215 CE3 TRP A 54 3.318 2.393 2.135 1.00 17.08 C ATOM 216 CZ2 TRP A 54 0.516 2.663 1.998 1.00 19.72 C ATOM 217 CZ3 TRP A 54 2.720 3.372 1.356 1.00 17.89 C ATOM 218 CH2 TRP A 54 1.336 3.500 1.300 1.00 20.20 C ATOM 219 HE1 TRP A 54 -0.484 0.556 3.680 1.00 0.00 H ATOM 220 H TRP A 54 5.749 2.101 4.070 1.00 0.00 H ATOM 221 N SER A 55 6.151 -1.207 6.236 1.00 12.17 N ATOM 222 CA SER A 55 7.179 -2.217 6.111 1.00 12.04 C ATOM 223 C SER A 55 6.616 -3.401 5.332 1.00 11.01 C ATOM 224 O SER A 55 5.406 -3.610 5.268 1.00 12.65 O ATOM 225 CB SER A 55 7.749 -2.666 7.457 1.00 14.18 C ATOM 226 OG SER A 55 6.747 -3.277 8.212 1.00 14.20 O ATOM 227 HG SER A 55 7.121 -3.566 9.082 1.00 0.00 H ATOM 228 H SER A 55 5.423 -1.289 6.974 1.00 0.00 H ATOM 229 N HIS A 56 7.523 -4.138 4.695 1.00 11.66 N ATOM 230 CA HIS A 56 7.215 -5.421 4.103 1.00 11.44 C ATOM 231 C HIS A 56 7.929 -6.495 4.893 1.00 11.25 C ATOM 232 O HIS A 56 9.069 -6.287 5.309 1.00 11.94 O ATOM 233 CB HIS A 56 7.471 -5.488 2.588 1.00 11.94 C ATOM 234 CG HIS A 56 8.877 -5.305 2.142 1.00 11.46 C ATOM 235 ND1 HIS A 56 9.804 -6.324 2.133 1.00 12.20 N ATOM 236 CD2 HIS A 56 9.466 -4.236 1.562 1.00 11.95 C ATOM 237 CE1 HIS A 56 10.915 -5.872 1.580 1.00 12.31 C ATOM 238 NE2 HIS A 56 10.739 -4.608 1.224 1.00 11.87 N ATOM 239 H HIS A 56 8.495 -3.776 4.620 1.00 0.00 H ATOM 240 N ILE A 57 7.263 -7.628 5.101 1.00 11.47 N ATOM 241 CA ILE A 57 7.779 -8.712 5.917 1.00 12.12 C ATOM 242 C ILE A 57 7.683 -10.006 5.128 1.00 11.97 C ATOM 243 O ILE A 57 6.609 -10.354 4.626 1.00 13.09 O ATOM 244 CB ILE A 57 7.061 -8.844 7.276 1.00 12.30 C ATOM 245 CG1 ILE A 57 6.900 -7.487 7.972 1.00 13.03 C ATOM 246 CG2 ILE A 57 7.864 -9.785 8.175 1.00 14.33 C ATOM 247 CD1 ILE A 57 5.632 -6.736 7.674 1.00 15.04 C ATOM 248 H ILE A 57 6.329 -7.742 4.658 1.00 0.00 H ATOM 249 N ALA A 58 8.799 -10.709 5.044 1.00 11.95 N ATOM 250 CA ALA A 58 8.892 -11.989 4.379 1.00 12.66 C ATOM 251 C ALA A 58 9.678 -12.940 5.268 1.00 12.82 C ATOM 252 O ALA A 58 10.193 -12.548 6.320 1.00 13.58 O ATOM 253 CB ALA A 58 9.563 -11.836 3.013 1.00 14.65 C ATOM 254 H ALA A 58 9.659 -10.319 5.481 1.00 0.00 H ATOM 255 N THR A 59 9.752 -14.208 4.858 1.00 13.38 N ATOM 256 CA THR A 59 10.529 -15.204 5.586 1.00 13.24 C ATOM 257 C THR A 59 11.351 -16.000 4.583 1.00 12.72 C ATOM 258 O THR A 59 10.978 -16.160 3.418 1.00 13.52 O ATOM 259 CB THR A 59 9.629 -16.157 6.390 1.00 14.81 C ATOM 260 OG1 THR A 59 8.619 -16.664 5.512 1.00 17.06 O ATOM 261 CG2 THR A 59 8.977 -15.427 7.552 1.00 16.00 C ATOM 262 HG1 THR A 59 8.028 -17.281 6.012 1.00 0.00 H ATOM 263 H THR A 59 9.242 -14.493 3.997 1.00 0.00 H ATOM 264 N GLN A 60 12.505 -16.489 5.033 1.00 12.74 N ATOM 265 CA GLN A 60 13.365 -17.257 4.152 1.00 12.31 C ATOM 266 C GLN A 60 14.193 -18.218 4.975 1.00 12.67 C ATOM 267 O GLN A 60 14.480 -17.977 6.151 1.00 13.91 O ATOM 268 CB GLN A 60 14.270 -16.316 3.345 1.00 13.54 C ATOM 269 CG GLN A 60 15.056 -17.000 2.230 1.00 13.82 C ATOM 270 CD GLN A 60 14.151 -17.782 1.321 1.00 13.47 C ATOM 271 OE1 GLN A 60 13.935 -18.980 1.504 1.00 14.16 O ATOM 272 NE2 GLN A 60 13.572 -17.088 0.335 1.00 15.78 N ATOM 273 HE22 GLN A 60 13.784 -16.077 0.217 1.00 0.00 H ATOM 274 HE21 GLN A 60 12.910 -17.560 -0.314 1.00 0.00 H ATOM 275 H GLN A 60 12.791 -16.320 6.019 1.00 0.00 H ATOM 276 N SER A 61 14.551 -19.311 4.334 1.00 14.10 N ATOM 277 CA SER A 61 15.394 -20.335 4.909 1.00 14.43 C ATOM 278 C SER A 61 16.844 -20.029 4.556 1.00 17.55 C ATOM 279 O SER A 61 17.147 -19.765 3.390 1.00 16.99 O ATOM 280 CB SER A 61 14.947 -21.661 4.293 1.00 17.93 C ATOM 281 OG SER A 61 15.797 -22.758 4.565 1.00 20.97 O ATOM 282 HG SER A 61 15.434 -23.570 4.131 1.00 0.00 H ATOM 283 H SER A 61 14.209 -19.445 3.361 1.00 0.00 H ATOM 284 N PHE A 62 17.732 -20.052 5.550 1.00 15.89 N ATOM 285 CA PHE A 62 19.151 -19.778 5.350 1.00 15.83 C ATOM 286 C PHE A 62 19.952 -20.685 6.268 1.00 16.73 C ATOM 287 O PHE A 62 19.776 -20.644 7.490 1.00 17.11 O ATOM 288 CB PHE A 62 19.481 -18.311 5.651 1.00 16.26 C ATOM 289 CG PHE A 62 20.922 -17.993 5.446 1.00 18.92 C ATOM 290 CD1 PHE A 62 21.440 -17.854 4.166 1.00 24.27 C ATOM 291 CD2 PHE A 62 21.777 -17.886 6.523 1.00 23.20 C ATOM 292 CE1 PHE A 62 22.786 -17.592 3.969 1.00 27.63 C ATOM 293 CE2 PHE A 62 23.122 -17.623 6.334 1.00 26.27 C ATOM 294 CZ PHE A 62 23.625 -17.481 5.054 1.00 26.00 C ATOM 295 H PHE A 62 17.399 -20.275 6.510 1.00 0.00 H ATOM 296 N ASP A 63 20.823 -21.505 5.690 1.00 17.99 N ATOM 297 CA ASP A 63 21.647 -22.422 6.483 1.00 21.19 C ATOM 298 C ASP A 63 20.804 -23.297 7.404 1.00 19.42 C ATOM 299 O ASP A 63 21.234 -23.681 8.495 1.00 22.30 O ATOM 300 CB ASP A 63 22.743 -21.703 7.280 1.00 24.84 C ATOM 301 CG ASP A 63 23.930 -21.318 6.427 1.00 45.78 C ATOM 302 OD1 ASP A 63 23.821 -21.352 5.179 1.00 34.56 O ATOM 303 OD2 ASP A 63 24.978 -20.987 7.019 1.00 39.49 O ATOM 304 H ASP A 63 20.922 -21.496 4.655 1.00 0.00 H ATOM 305 N GLY A 64 19.594 -23.622 6.979 1.00 18.75 N ATOM 306 CA GLY A 64 18.784 -24.564 7.717 1.00 21.64 C ATOM 307 C GLY A 64 17.967 -23.961 8.836 1.00 20.94 C ATOM 308 O GLY A 64 17.485 -24.707 9.696 1.00 25.99 O ATOM 309 H GLY A 64 19.223 -23.196 6.106 1.00 0.00 H ATOM 310 N ALA A 65 17.832 -22.644 8.882 1.00 18.36 N ATOM 311 CA ALA A 65 16.916 -21.999 9.808 1.00 18.05 C ATOM 312 C ALA A 65 16.063 -21.003 9.033 1.00 16.54 C ATOM 313 O ALA A 65 16.487 -20.464 8.007 1.00 18.16 O ATOM 314 CB ALA A 65 17.679 -21.253 10.910 1.00 21.62 C ATOM 315 H ALA A 65 18.397 -22.055 8.238 1.00 0.00 H ATOM 316 N VAL A 66 14.859 -20.724 9.523 1.00 16.84 N ATOM 317 CA VAL A 66 13.967 -19.754 8.886 1.00 16.23 C ATOM 318 C VAL A 66 13.959 -18.465 9.693 1.00 14.73 C ATOM 319 O VAL A 66 13.829 -18.489 10.923 1.00 15.74 O ATOM 320 CB VAL A 66 12.543 -20.316 8.737 1.00 18.08 C ATOM 321 CG1 VAL A 66 11.597 -19.262 8.155 1.00 19.11 C ATOM 322 CG2 VAL A 66 12.552 -21.540 7.839 1.00 22.00 C ATOM 323 H VAL A 66 14.541 -21.210 10.386 1.00 0.00 H ATOM 324 N TYR A 67 14.102 -17.342 9.003 1.00 13.62 N ATOM 325 CA TYR A 67 14.129 -16.027 9.625 1.00 13.81 C ATOM 326 C TYR A 67 13.112 -15.121 8.953 1.00 12.70 C ATOM 327 O TYR A 67 12.906 -15.217 7.743 1.00 13.22 O ATOM 328 CB TYR A 67 15.521 -15.394 9.457 1.00 15.37 C ATOM 329 CG TYR A 67 16.648 -16.200 10.043 1.00 14.76 C ATOM 330 CD1 TYR A 67 16.937 -16.146 11.390 1.00 16.33 C ATOM 331 CD2 TYR A 67 17.402 -17.047 9.248 1.00 15.46 C ATOM 332 CE1 TYR A 67 17.962 -16.883 11.921 1.00 18.33 C ATOM 333 CE2 TYR A 67 18.436 -17.788 9.769 1.00 17.81 C ATOM 334 CZ TYR A 67 18.706 -17.712 11.111 1.00 17.55 C ATOM 335 OH TYR A 67 19.731 -18.433 11.645 1.00 18.95 O ATOM 336 HH TYR A 67 19.783 -18.260 12.618 1.00 0.00 H ATOM 337 H TYR A 67 14.199 -17.404 7.969 1.00 0.00 H ATOM 338 N PRO A 68 12.499 -14.205 9.703 1.00 12.92 N ATOM 339 CA PRO A 68 11.731 -13.122 9.093 1.00 13.19 C ATOM 340 C PRO A 68 12.684 -12.015 8.665 1.00 11.83 C ATOM 341 O PRO A 68 13.809 -11.902 9.157 1.00 13.23 O ATOM 342 CB PRO A 68 10.863 -12.643 10.259 1.00 13.87 C ATOM 343 CG PRO A 68 11.776 -12.793 11.445 1.00 14.45 C ATOM 344 CD PRO A 68 12.662 -13.998 11.149 1.00 13.62 C ATOM 345 N SER A 69 12.226 -11.189 7.729 1.00 11.87 N ATOM 346 CA SER A 69 13.034 -10.078 7.252 1.00 11.71 C ATOM 347 C SER A 69 12.131 -8.933 6.821 1.00 11.50 C ATOM 348 O SER A 69 11.064 -9.164 6.244 1.00 12.24 O ATOM 349 CB SER A 69 13.884 -10.553 6.087 1.00 13.89 C ATOM 350 OG SER A 69 14.803 -9.579 5.694 1.00 15.50 O ATOM 351 HG SER A 69 14.318 -8.762 5.416 1.00 0.00 H ATOM 352 H SER A 69 11.276 -11.340 7.332 1.00 0.00 H ATOM 353 N ASN A 70 12.551 -7.710 7.119 1.00 11.22 N ATOM 354 CA ASN A 70 11.801 -6.491 6.812 1.00 11.48 C ATOM 355 C ASN A 70 12.457 -5.688 5.705 1.00 11.57 C ATOM 356 O ASN A 70 13.681 -5.651 5.596 1.00 13.77 O ATOM 357 CB ASN A 70 11.787 -5.555 8.008 1.00 12.36 C ATOM 358 CG ASN A 70 11.218 -6.194 9.231 1.00 12.40 C ATOM 359 OD1 ASN A 70 10.148 -6.827 9.167 1.00 13.37 O ATOM 360 ND2 ASN A 70 11.858 -5.995 10.368 1.00 13.37 N ATOM 361 HD22 ASN A 70 12.750 -5.460 10.376 1.00 0.00 H ATOM 362 HD21 ASN A 70 11.471 -6.373 11.256 1.00 0.00 H ATOM 363 H ASN A 70 13.468 -7.612 7.600 1.00 0.00 H ATOM 364 N GLY A 71 11.637 -4.965 4.959 1.00 11.65 N ATOM 365 CA GLY A 71 12.052 -3.815 4.171 1.00 11.15 C ATOM 366 C GLY A 71 11.034 -2.708 4.330 1.00 11.07 C ATOM 367 O GLY A 71 10.157 -2.771 5.207 1.00 11.90 O ATOM 368 H GLY A 71 10.633 -5.236 4.935 1.00 0.00 H ATOM 369 N LEU A 72 11.142 -1.680 3.490 1.00 10.97 N ATOM 370 CA LEU A 72 10.324 -0.481 3.625 1.00 11.44 C ATOM 371 C LEU A 72 9.700 -0.111 2.283 1.00 11.62 C ATOM 372 O LEU A 72 10.256 -0.378 1.207 1.00 11.67 O ATOM 373 CB LEU A 72 11.156 0.707 4.115 1.00 12.25 C ATOM 374 CG LEU A 72 10.395 1.803 4.874 1.00 13.43 C ATOM 375 CD1 LEU A 72 9.936 1.297 6.230 1.00 14.91 C ATOM 376 CD2 LEU A 72 11.282 3.034 5.018 1.00 15.07 C ATOM 377 H LEU A 72 11.832 -1.734 2.713 1.00 0.00 H ATOM 378 N ILE A 73 8.525 0.506 2.352 1.00 11.64 N ATOM 379 CA ILE A 73 7.851 1.084 1.191 1.00 12.15 C ATOM 380 C ILE A 73 7.445 2.494 1.569 1.00 12.48 C ATOM 381 O ILE A 73 6.818 2.692 2.617 1.00 12.94 O ATOM 382 CB ILE A 73 6.589 0.281 0.826 1.00 12.19 C ATOM 383 CG1 ILE A 73 6.926 -1.198 0.573 1.00 13.41 C ATOM 384 CG2 ILE A 73 5.885 0.883 -0.383 1.00 15.16 C ATOM 385 CD1 ILE A 73 5.719 -2.108 0.677 1.00 16.00 C ATOM 386 H ILE A 73 8.061 0.581 3.280 1.00 0.00 H ATOM 387 N VAL A 74 7.782 3.475 0.737 1.00 12.91 N ATOM 388 CA VAL A 74 7.478 4.874 1.029 1.00 12.94 C ATOM 389 C VAL A 74 6.777 5.484 -0.174 1.00 13.99 C ATOM 390 O VAL A 74 7.278 5.433 -1.304 1.00 14.38 O ATOM 391 CB VAL A 74 8.742 5.679 1.389 1.00 14.42 C ATOM 392 CG1 VAL A 74 8.361 7.073 1.843 1.00 16.28 C ATOM 393 CG2 VAL A 74 9.536 4.959 2.476 1.00 15.00 C ATOM 394 H VAL A 74 8.276 3.240 -0.147 1.00 0.00 H ATOM 395 N ARG A 75 5.616 6.070 0.070 1.00 14.05 N ATOM 396 CA ARG A 75 4.893 6.731 -1.000 1.00 15.18 C ATOM 397 C ARG A 75 5.594 8.010 -1.427 1.00 16.68 C ATOM 398 O ARG A 75 6.070 8.795 -0.601 1.00 19.58 O ATOM 399 CB ARG A 75 3.470 7.028 -0.557 1.00 17.62 C ATOM 400 CG ARG A 75 2.598 7.564 -1.687 1.00 20.19 C ATOM 401 CD ARG A 75 1.156 7.715 -1.244 1.00 23.22 C ATOM 402 NE ARG A 75 1.060 8.596 -0.082 1.00 41.09 N ATOM 403 CZ ARG A 75 0.356 8.350 1.020 1.00 53.65 C ATOM 404 NH1 ARG A 75 -0.372 7.245 1.143 1.00 39.16 N ATOM 405 NH2 ARG A 75 0.369 9.235 2.009 1.00 32.90 N ATOM 406 HE ARG A 75 1.587 9.492 -0.120 1.00 0.00 H ATOM 407 HH12 ARG A 75 -0.914 7.074 2.014 1.00 0.00 H ATOM 408 HH11 ARG A 75 -0.399 6.551 0.369 1.00 0.00 H ATOM 409 HH22 ARG A 75 -0.177 9.055 2.876 1.00 0.00 H ATOM 410 HH21 ARG A 75 0.925 10.109 1.917 1.00 0.00 H ATOM 411 H ARG A 75 5.221 6.057 1.032 1.00 0.00 H ATOM 412 N ASP A 76 5.647 8.224 -2.734 1.00 18.75 N ATOM 413 CA ASP A 76 6.204 9.454 -3.294 1.00 22.12 C ATOM 414 C ASP A 76 5.249 9.930 -4.380 1.00 25.01 C ATOM 415 O ASP A 76 5.402 9.589 -5.556 1.00 24.43 O ATOM 416 CB ASP A 76 7.598 9.245 -3.830 1.00 35.57 C ATOM 417 CG ASP A 76 8.263 10.551 -4.217 1.00 39.44 C ATOM 418 OD1 ASP A 76 7.790 11.627 -3.779 1.00 40.01 O ATOM 419 OD2 ASP A 76 9.254 10.499 -4.962 1.00 35.63 O ATOM 420 H ASP A 76 5.282 7.495 -3.380 1.00 0.00 H ATOM 421 N GLY A 77 4.250 10.687 -3.962 1.00 26.60 N ATOM 422 CA GLY A 77 3.215 11.117 -4.871 1.00 26.79 C ATOM 423 C GLY A 77 2.372 9.940 -5.307 1.00 23.25 C ATOM 424 O GLY A 77 1.770 9.255 -4.477 1.00 27.91 O ATOM 425 H GLY A 77 4.209 10.977 -2.964 1.00 0.00 H ATOM 426 N ASP A 78 2.318 9.693 -6.614 1.00 24.33 N ATOM 427 CA ASP A 78 1.560 8.575 -7.157 1.00 23.56 C ATOM 428 C ASP A 78 2.447 7.385 -7.498 1.00 20.65 C ATOM 429 O ASP A 78 2.042 6.522 -8.277 1.00 24.18 O ATOM 430 CB ASP A 78 0.717 9.009 -8.361 1.00 28.99 C ATOM 431 CG ASP A 78 1.525 9.737 -9.412 1.00 44.97 C ATOM 432 OD1 ASP A 78 2.768 9.794 -9.282 1.00 48.93 O ATOM 433 OD2 ASP A 78 0.914 10.257 -10.369 1.00 43.68 O ATOM 434 H ASP A 78 2.833 10.318 -7.267 1.00 0.00 H ATOM 435 N GLU A 79 3.646 7.322 -6.923 1.00 19.37 N ATOM 436 CA GLU A 79 4.568 6.215 -7.109 1.00 19.73 C ATOM 437 C GLU A 79 5.065 5.776 -5.744 1.00 16.77 C ATOM 438 O GLU A 79 4.829 6.442 -4.731 1.00 18.32 O ATOM 439 CB GLU A 79 5.763 6.619 -7.987 1.00 20.92 C ATOM 440 CG GLU A 79 5.382 7.106 -9.387 1.00 28.68 C ATOM 441 CD GLU A 79 6.557 7.688 -10.172 1.00 35.94 C ATOM 442 OE1 GLU A 79 7.729 7.479 -9.787 1.00 27.86 O ATOM 443 OE2 GLU A 79 6.303 8.361 -11.192 1.00 44.58 O ATOM 444 H GLU A 79 3.938 8.108 -6.307 1.00 0.00 H ATOM 445 N LEU A 80 5.766 4.649 -5.730 1.00 15.52 N ATOM 446 CA LEU A 80 6.361 4.123 -4.507 1.00 14.38 C ATOM 447 C LEU A 80 7.862 3.930 -4.665 1.00 13.41 C ATOM 448 O LEU A 80 8.343 3.501 -5.727 1.00 14.45 O ATOM 449 CB LEU A 80 5.759 2.770 -4.131 1.00 14.28 C ATOM 450 CG LEU A 80 4.244 2.716 -3.969 1.00 15.37 C ATOM 451 CD1 LEU A 80 3.786 1.279 -3.801 1.00 16.19 C ATOM 452 CD2 LEU A 80 3.765 3.599 -2.826 1.00 17.45 C ATOM 453 H LEU A 80 5.895 4.125 -6.619 1.00 0.00 H ATOM 454 N LEU A 81 8.577 4.208 -3.574 1.00 13.60 N ATOM 455 CA LEU A 81 9.981 3.863 -3.413 1.00 12.45 C ATOM 456 C LEU A 81 10.061 2.623 -2.533 1.00 13.03 C ATOM 457 O LEU A 81 9.498 2.594 -1.429 1.00 13.01 O ATOM 458 CB LEU A 81 10.716 5.003 -2.722 1.00 13.19 C ATOM 459 CG LEU A 81 12.178 4.722 -2.351 1.00 13.59 C ATOM 460 CD1 LEU A 81 13.057 4.417 -3.553 1.00 14.55 C ATOM 461 CD2 LEU A 81 12.749 5.869 -1.536 1.00 15.65 C ATOM 462 H LEU A 81 8.102 4.701 -2.791 1.00 0.00 H ATOM 463 N LEU A 82 10.792 1.607 -2.996 1.00 12.09 N ATOM 464 CA LEU A 82 11.003 0.378 -2.242 1.00 11.72 C ATOM 465 C LEU A 82 12.399 0.390 -1.638 1.00 11.39 C ATOM 466 O LEU A 82 13.372 0.728 -2.314 1.00 11.85 O ATOM 467 CB LEU A 82 10.867 -0.815 -3.194 1.00 12.26 C ATOM 468 CG LEU A 82 11.082 -2.202 -2.591 1.00 12.76 C ATOM 469 CD1 LEU A 82 10.014 -2.524 -1.559 1.00 14.01 C ATOM 470 CD2 LEU A 82 11.105 -3.249 -3.669 1.00 14.34 C ATOM 471 H LEU A 82 11.230 1.696 -3.935 1.00 0.00 H ATOM 472 N ILE A 83 12.502 0.001 -0.360 1.00 10.92 N ATOM 473 CA ILE A 83 13.786 -0.207 0.292 1.00 10.91 C ATOM 474 C ILE A 83 13.905 -1.699 0.577 1.00 11.07 C ATOM 475 O ILE A 83 13.133 -2.260 1.374 1.00 11.41 O ATOM 476 CB ILE A 83 13.942 0.587 1.594 1.00 11.59 C ATOM 477 CG1 ILE A 83 13.577 2.067 1.442 1.00 12.29 C ATOM 478 CG2 ILE A 83 15.367 0.401 2.100 1.00 13.27 C ATOM 479 CD1 ILE A 83 14.421 2.856 0.430 1.00 13.82 C ATOM 480 H ILE A 83 11.632 -0.158 0.186 1.00 0.00 H ATOM 481 N ASP A 84 14.874 -2.328 -0.085 1.00 10.99 N ATOM 482 CA ASP A 84 15.246 -3.729 0.067 1.00 10.25 C ATOM 483 C ASP A 84 14.262 -4.693 -0.585 1.00 10.44 C ATOM 484 O ASP A 84 13.049 -4.472 -0.632 1.00 11.63 O ATOM 485 CB ASP A 84 15.575 -4.068 1.513 1.00 11.48 C ATOM 486 CG ASP A 84 16.851 -3.393 1.948 1.00 11.28 C ATOM 487 OD1 ASP A 84 17.747 -3.230 1.109 1.00 12.10 O ATOM 488 OD2 ASP A 84 16.974 -3.018 3.146 1.00 12.20 O ATOM 489 H ASP A 84 15.415 -1.768 -0.774 1.00 0.00 H ATOM 490 N THR A 85 14.811 -5.786 -1.119 1.00 11.57 N ATOM 491 CA THR A 85 13.994 -6.877 -1.626 1.00 11.85 C ATOM 492 C THR A 85 13.410 -7.670 -0.458 1.00 11.24 C ATOM 493 O THR A 85 13.645 -7.395 0.711 1.00 11.45 O ATOM 494 CB THR A 85 14.818 -7.827 -2.493 1.00 12.43 C ATOM 495 OG1 THR A 85 15.752 -8.487 -1.618 1.00 12.52 O ATOM 496 CG2 THR A 85 15.528 -7.089 -3.648 1.00 13.22 C ATOM 497 HG1 THR A 85 16.308 -9.115 -2.144 1.00 0.00 H ATOM 498 H THR A 85 15.847 -5.859 -1.174 1.00 0.00 H ATOM 499 N ALA A 86 12.585 -8.662 -0.804 1.00 11.99 N ATOM 500 CA ALA A 86 11.971 -9.553 0.175 1.00 11.82 C ATOM 501 C ALA A 86 12.740 -10.872 0.321 1.00 11.86 C ATOM 502 O ALA A 86 12.154 -11.899 0.690 1.00 13.33 O ATOM 503 CB ALA A 86 10.494 -9.784 -0.146 1.00 12.74 C ATOM 504 H ALA A 86 12.372 -8.805 -1.812 1.00 0.00 H ATOM 505 N TRP A 87 14.046 -10.862 0.065 1.00 12.69 N ATOM 506 CA TRP A 87 14.917 -12.010 0.318 1.00 12.57 C ATOM 507 C TRP A 87 14.600 -13.157 -0.628 1.00 13.51 C ATOM 508 O TRP A 87 14.229 -14.263 -0.199 1.00 16.62 O ATOM 509 CB TRP A 87 14.878 -12.461 1.772 1.00 13.28 C ATOM 510 CG TRP A 87 16.069 -13.281 2.217 1.00 12.71 C ATOM 511 CD1 TRP A 87 17.056 -13.829 1.461 1.00 14.33 C ATOM 512 CD2 TRP A 87 16.361 -13.628 3.561 1.00 13.18 C ATOM 513 NE1 TRP A 87 17.945 -14.509 2.262 1.00 14.22 N ATOM 514 CE2 TRP A 87 17.548 -14.369 3.562 1.00 14.13 C ATOM 515 CE3 TRP A 87 15.744 -13.350 4.777 1.00 13.61 C ATOM 516 CZ2 TRP A 87 18.108 -14.867 4.747 1.00 15.83 C ATOM 517 CZ3 TRP A 87 16.293 -13.837 5.935 1.00 15.40 C ATOM 518 CH2 TRP A 87 17.464 -14.579 5.915 1.00 16.81 C ATOM 519 HE1 TRP A 87 18.777 -15.039 1.934 1.00 0.00 H ATOM 520 H TRP A 87 14.467 -9.998 -0.333 1.00 0.00 H ATOM 521 N GLY A 88 14.793 -12.910 -1.906 1.00 13.56 N ATOM 522 CA GLY A 88 14.712 -13.932 -2.923 1.00 15.32 C ATOM 523 C GLY A 88 13.760 -13.579 -4.036 1.00 13.92 C ATOM 524 O GLY A 88 12.867 -12.735 -3.889 1.00 13.67 O ATOM 525 H GLY A 88 15.014 -11.936 -2.196 1.00 0.00 H ATOM 526 N ALA A 89 13.935 -14.257 -5.166 1.00 14.88 N ATOM 527 CA ALA A 89 13.136 -13.968 -6.352 1.00 14.71 C ATOM 528 C ALA A 89 11.656 -14.235 -6.127 1.00 14.39 C ATOM 529 O ALA A 89 10.806 -13.402 -6.460 1.00 14.74 O ATOM 530 CB ALA A 89 13.645 -14.796 -7.530 1.00 17.63 C ATOM 531 H ALA A 89 14.654 -15.007 -5.205 1.00 0.00 H ATOM 532 N LYS A 90 11.308 -15.419 -5.611 1.00 14.85 N ATOM 533 CA LYS A 90 9.890 -15.709 -5.455 1.00 14.69 C ATOM 534 C LYS A 90 9.250 -14.789 -4.425 1.00 14.76 C ATOM 535 O LYS A 90 8.124 -14.309 -4.623 1.00 14.34 O ATOM 536 CB LYS A 90 9.680 -17.167 -5.082 1.00 19.62 C ATOM 537 CG LYS A 90 9.822 -18.103 -6.259 1.00 22.64 C ATOM 538 CD LYS A 90 9.722 -19.528 -5.781 1.00 31.87 C ATOM 539 CE LYS A 90 9.103 -20.435 -6.787 1.00 31.59 C ATOM 540 NZ LYS A 90 8.549 -21.590 -6.061 1.00 26.09 N ATOM 541 HZ1 LYS A 90 9.314 -22.078 -5.553 1.00 0.00 H ATOM 542 HZ2 LYS A 90 7.835 -21.260 -5.381 1.00 0.00 H ATOM 543 HZ3 LYS A 90 8.108 -22.245 -6.738 1.00 0.00 H ATOM 544 H LYS A 90 12.030 -16.113 -5.329 1.00 0.00 H ATOM 545 N ASN A 91 9.934 -14.527 -3.312 1.00 13.31 N ATOM 546 CA ASN A 91 9.378 -13.604 -2.328 1.00 13.18 C ATOM 547 C ASN A 91 9.203 -12.215 -2.914 1.00 13.68 C ATOM 548 O ASN A 91 8.225 -11.521 -2.607 1.00 13.39 O ATOM 549 CB ASN A 91 10.283 -13.497 -1.106 1.00 13.40 C ATOM 550 CG ASN A 91 10.198 -14.680 -0.159 1.00 14.46 C ATOM 551 OD1 ASN A 91 9.426 -15.627 -0.346 1.00 16.75 O ATOM 552 ND2 ASN A 91 11.023 -14.643 0.866 1.00 14.02 N ATOM 553 HD22 ASN A 91 11.659 -13.830 0.992 1.00 0.00 H ATOM 554 HD21 ASN A 91 11.039 -15.427 1.549 1.00 0.00 H ATOM 555 H ASN A 91 10.857 -14.977 -3.146 1.00 0.00 H ATOM 556 N THR A 92 10.157 -11.764 -3.735 1.00 12.50 N ATOM 557 CA THR A 92 10.066 -10.414 -4.282 1.00 12.32 C ATOM 558 C THR A 92 8.945 -10.308 -5.319 1.00 13.39 C ATOM 559 O THR A 92 8.267 -9.282 -5.393 1.00 13.76 O ATOM 560 CB THR A 92 11.436 -9.979 -4.812 1.00 12.73 C ATOM 561 OG1 THR A 92 12.376 -9.970 -3.726 1.00 12.38 O ATOM 562 CG2 THR A 92 11.411 -8.591 -5.390 1.00 14.37 C ATOM 563 HG1 THR A 92 12.440 -10.879 -3.339 1.00 0.00 H ATOM 564 H THR A 92 10.962 -12.374 -3.983 1.00 0.00 H ATOM 565 N ALA A 93 8.717 -11.358 -6.112 1.00 13.87 N ATOM 566 CA ALA A 93 7.531 -11.379 -6.956 1.00 14.75 C ATOM 567 C ALA A 93 6.261 -11.296 -6.116 1.00 14.47 C ATOM 568 O ALA A 93 5.323 -10.572 -6.462 1.00 15.14 O ATOM 569 CB ALA A 93 7.529 -12.640 -7.815 1.00 16.74 C ATOM 570 H ALA A 93 9.383 -12.157 -6.127 1.00 0.00 H ATOM 571 N ALA A 94 6.214 -12.031 -5.005 1.00 14.38 N ATOM 572 CA ALA A 94 5.051 -11.959 -4.123 1.00 14.96 C ATOM 573 C ALA A 94 4.903 -10.565 -3.524 1.00 14.22 C ATOM 574 O ALA A 94 3.775 -10.073 -3.360 1.00 15.21 O ATOM 575 CB ALA A 94 5.161 -13.012 -3.019 1.00 15.81 C ATOM 576 H ALA A 94 7.008 -12.658 -4.765 1.00 0.00 H ATOM 577 N LEU A 95 6.022 -9.911 -3.210 1.00 13.33 N ATOM 578 CA LEU A 95 5.991 -8.541 -2.700 1.00 13.00 C ATOM 579 C LEU A 95 5.345 -7.592 -3.704 1.00 14.77 C ATOM 580 O LEU A 95 4.475 -6.786 -3.343 1.00 14.05 O ATOM 581 CB LEU A 95 7.420 -8.104 -2.391 1.00 12.53 C ATOM 582 CG LEU A 95 7.624 -6.617 -2.089 1.00 13.42 C ATOM 583 CD1 LEU A 95 6.912 -6.193 -0.817 1.00 15.04 C ATOM 584 CD2 LEU A 95 9.129 -6.332 -2.003 1.00 15.98 C ATOM 585 H LEU A 95 6.939 -10.387 -3.331 1.00 0.00 H ATOM 586 N LEU A 96 5.745 -7.672 -4.971 1.00 13.80 N ATOM 587 CA LEU A 96 5.135 -6.798 -5.966 1.00 14.78 C ATOM 588 C LEU A 96 3.642 -7.058 -6.090 1.00 14.52 C ATOM 589 O LEU A 96 2.856 -6.115 -6.240 1.00 15.75 O ATOM 590 CB LEU A 96 5.831 -6.939 -7.317 1.00 15.00 C ATOM 591 CG LEU A 96 7.275 -6.440 -7.392 1.00 14.75 C ATOM 592 CD1 LEU A 96 7.821 -6.664 -8.792 1.00 18.34 C ATOM 593 CD2 LEU A 96 7.407 -4.968 -6.993 1.00 18.82 C ATOM 594 H LEU A 96 6.484 -8.350 -5.248 1.00 0.00 H ATOM 595 N ALA A 97 3.227 -8.324 -6.035 1.00 15.03 N ATOM 596 CA ALA A 97 1.806 -8.637 -6.102 1.00 15.49 C ATOM 597 C ALA A 97 1.054 -8.084 -4.896 1.00 15.80 C ATOM 598 O ALA A 97 -0.065 -7.581 -5.032 1.00 16.53 O ATOM 599 CB ALA A 97 1.619 -10.145 -6.222 1.00 16.98 C ATOM 600 H ALA A 97 3.922 -9.092 -5.944 1.00 0.00 H ATOM 601 N GLU A 98 1.643 -8.186 -3.703 1.00 16.13 N ATOM 602 CA GLU A 98 0.980 -7.693 -2.502 1.00 16.38 C ATOM 603 C GLU A 98 0.853 -6.177 -2.536 1.00 14.78 C ATOM 604 O GLU A 98 -0.168 -5.621 -2.127 1.00 16.17 O ATOM 605 CB GLU A 98 1.758 -8.145 -1.268 1.00 17.55 C ATOM 606 CG GLU A 98 1.057 -7.889 0.038 1.00 17.97 C ATOM 607 CD GLU A 98 -0.149 -8.791 0.255 1.00 23.15 C ATOM 608 OE1 GLU A 98 -0.354 -9.735 -0.538 1.00 24.07 O ATOM 609 OE2 GLU A 98 -0.882 -8.548 1.229 1.00 23.44 O ATOM 610 H GLU A 98 2.585 -8.622 -3.629 1.00 0.00 H ATOM 611 N ILE A 99 1.888 -5.492 -3.017 1.00 14.45 N ATOM 612 CA ILE A 99 1.818 -4.040 -3.161 1.00 14.99 C ATOM 613 C ILE A 99 0.701 -3.655 -4.114 1.00 16.79 C ATOM 614 O ILE A 99 -0.072 -2.731 -3.850 1.00 16.81 O ATOM 615 CB ILE A 99 3.179 -3.480 -3.615 1.00 14.56 C ATOM 616 CG1 ILE A 99 4.204 -3.603 -2.489 1.00 14.63 C ATOM 617 CG2 ILE A 99 3.041 -2.032 -4.086 1.00 16.15 C ATOM 618 CD1 ILE A 99 5.635 -3.274 -2.881 1.00 14.19 C ATOM 619 H ILE A 99 2.755 -5.996 -3.293 1.00 0.00 H ATOM 620 N GLU A 100 0.625 -4.327 -5.250 1.00 15.98 N ATOM 621 CA GLU A 100 -0.415 -3.972 -6.202 1.00 17.78 C ATOM 622 C GLU A 100 -1.802 -4.171 -5.606 1.00 19.62 C ATOM 623 O GLU A 100 -2.699 -3.351 -5.822 1.00 21.77 O ATOM 624 CB GLU A 100 -0.238 -4.772 -7.482 1.00 19.96 C ATOM 625 CG GLU A 100 -1.262 -4.420 -8.570 1.00 26.65 C ATOM 626 CD GLU A 100 -1.473 -2.917 -8.776 1.00 36.76 C ATOM 627 OE1 GLU A 100 -0.496 -2.142 -8.699 1.00 36.12 O ATOM 628 OE2 GLU A 100 -2.631 -2.510 -9.030 1.00 43.69 O ATOM 629 H GLU A 100 1.296 -5.094 -5.458 1.00 0.00 H ATOM 630 N LYS A 101 -1.994 -5.255 -4.860 1.00 17.04 N ATOM 631 CA LYS A 101 -3.277 -5.553 -4.237 1.00 19.95 C ATOM 632 C LYS A 101 -3.628 -4.536 -3.155 1.00 18.12 C ATOM 633 O LYS A 101 -4.743 -4.008 -3.119 1.00 20.01 O ATOM 634 CB LYS A 101 -3.193 -6.966 -3.646 1.00 22.42 C ATOM 635 CG LYS A 101 -4.346 -7.403 -2.748 1.00 26.45 C ATOM 636 CD LYS A 101 -4.080 -8.814 -2.203 1.00 25.17 C ATOM 637 CE LYS A 101 -5.055 -9.197 -1.109 1.00 49.33 C ATOM 638 NZ LYS A 101 -4.894 -10.621 -0.702 1.00 52.91 N ATOM 639 HZ1 LYS A 101 -5.064 -11.236 -1.523 1.00 0.00 H ATOM 640 HZ2 LYS A 101 -3.928 -10.772 -0.348 1.00 0.00 H ATOM 641 HZ3 LYS A 101 -5.578 -10.845 0.048 1.00 0.00 H ATOM 642 H LYS A 101 -1.201 -5.913 -4.716 1.00 0.00 H ATOM 643 N GLN A 102 -2.689 -4.249 -2.263 1.00 17.32 N ATOM 644 CA GLN A 102 -2.960 -3.473 -1.057 1.00 17.49 C ATOM 645 C GLN A 102 -2.843 -1.970 -1.262 1.00 18.10 C ATOM 646 O GLN A 102 -3.565 -1.200 -0.624 1.00 21.45 O ATOM 647 CB GLN A 102 -1.976 -3.868 0.051 1.00 17.83 C ATOM 648 CG GLN A 102 -1.973 -5.338 0.434 1.00 17.07 C ATOM 649 CD GLN A 102 -3.240 -5.763 1.138 1.00 27.73 C ATOM 650 OE1 GLN A 102 -4.099 -4.937 1.461 1.00 25.41 O ATOM 651 NE2 GLN A 102 -3.365 -7.060 1.386 1.00 29.28 N ATOM 652 HE22 GLN A 102 -2.615 -7.720 1.095 1.00 0.00 H ATOM 653 HE21 GLN A 102 -4.213 -7.417 1.871 1.00 0.00 H ATOM 654 H GLN A 102 -1.721 -4.591 -2.430 1.00 0.00 H ATOM 655 N ILE A 103 -1.919 -1.531 -2.107 1.00 17.82 N ATOM 656 CA ILE A 103 -1.614 -0.115 -2.271 1.00 17.78 C ATOM 657 C ILE A 103 -2.027 0.398 -3.645 1.00 18.41 C ATOM 658 O ILE A 103 -2.606 1.480 -3.755 1.00 20.55 O ATOM 659 CB ILE A 103 -0.124 0.180 -1.987 1.00 17.58 C ATOM 660 CG1 ILE A 103 0.248 -0.295 -0.575 1.00 17.67 C ATOM 661 CG2 ILE A 103 0.157 1.683 -2.157 1.00 18.87 C ATOM 662 CD1 ILE A 103 1.723 -0.174 -0.249 1.00 17.89 C ATOM 663 H ILE A 103 -1.392 -2.225 -2.675 1.00 0.00 H ATOM 664 N GLY A 104 -1.773 -0.366 -4.704 1.00 18.11 N ATOM 665 CA GLY A 104 -2.258 -0.007 -6.021 1.00 20.49 C ATOM 666 C GLY A 104 -1.514 1.118 -6.701 1.00 19.54 C ATOM 667 O GLY A 104 -2.051 1.726 -7.634 1.00 21.65 O ATOM 668 H GLY A 104 -1.216 -1.236 -4.584 1.00 0.00 H ATOM 669 N LEU A 105 -0.291 1.410 -6.267 1.00 18.20 N ATOM 670 CA LEU A 105 0.591 2.377 -6.901 1.00 18.61 C ATOM 671 C LEU A 105 1.838 1.651 -7.377 1.00 17.28 C ATOM 672 O LEU A 105 2.249 0.659 -6.773 1.00 17.66 O ATOM 673 CB LEU A 105 0.998 3.478 -5.915 1.00 18.98 C ATOM 674 CG LEU A 105 -0.152 4.341 -5.377 1.00 20.01 C ATOM 675 CD1 LEU A 105 0.371 5.254 -4.283 1.00 23.82 C ATOM 676 CD2 LEU A 105 -0.832 5.142 -6.472 1.00 24.18 C ATOM 677 H LEU A 105 0.056 0.915 -5.421 1.00 0.00 H ATOM 678 N PRO A 106 2.441 2.098 -8.473 1.00 18.51 N ATOM 679 CA PRO A 106 3.625 1.393 -8.983 1.00 17.73 C ATOM 680 C PRO A 106 4.885 1.672 -8.180 1.00 16.64 C ATOM 681 O PRO A 106 5.147 2.806 -7.782 1.00 16.67 O ATOM 682 CB PRO A 106 3.777 1.957 -10.396 1.00 20.32 C ATOM 683 CG PRO A 106 3.229 3.336 -10.288 1.00 21.76 C ATOM 684 CD PRO A 106 2.069 3.238 -9.324 1.00 20.00 C ATOM 685 N VAL A 107 5.691 0.633 -8.009 1.00 17.01 N ATOM 686 CA VAL A 107 7.053 0.788 -7.501 1.00 14.80 C ATOM 687 C VAL A 107 7.929 1.226 -8.664 1.00 14.70 C ATOM 688 O VAL A 107 8.038 0.515 -9.671 1.00 17.32 O ATOM 689 CB VAL A 107 7.570 -0.534 -6.917 1.00 16.20 C ATOM 690 CG1 VAL A 107 9.015 -0.388 -6.457 1.00 15.73 C ATOM 691 CG2 VAL A 107 6.708 -0.996 -5.765 1.00 18.41 C ATOM 692 H VAL A 107 5.344 -0.319 -8.243 1.00 0.00 H ATOM 693 N THR A 108 8.522 2.410 -8.560 1.00 14.41 N ATOM 694 CA THR A 108 9.328 2.894 -9.666 1.00 15.36 C ATOM 695 C THR A 108 10.821 2.861 -9.393 1.00 14.90 C ATOM 696 O THR A 108 11.600 2.842 -10.359 1.00 14.67 O ATOM 697 CB THR A 108 8.905 4.310 -10.062 1.00 15.96 C ATOM 698 OG1 THR A 108 8.999 5.157 -8.927 1.00 18.21 O ATOM 699 CG2 THR A 108 7.482 4.324 -10.603 1.00 19.78 C ATOM 700 HG1 THR A 108 8.726 6.075 -9.178 1.00 0.00 H ATOM 701 H THR A 108 8.410 2.982 -7.699 1.00 0.00 H ATOM 702 N ARG A 109 11.229 2.832 -8.131 1.00 13.08 N ATOM 703 CA ARG A 109 12.632 2.800 -7.778 1.00 12.80 C ATOM 704 C ARG A 109 12.774 1.946 -6.538 1.00 13.29 C ATOM 705 O ARG A 109 11.848 1.851 -5.726 1.00 13.03 O ATOM 706 CB ARG A 109 13.163 4.218 -7.461 1.00 14.70 C ATOM 707 CG ARG A 109 13.106 5.150 -8.648 1.00 14.67 C ATOM 708 CD ARG A 109 13.712 6.514 -8.363 1.00 18.19 C ATOM 709 NE ARG A 109 12.845 7.315 -7.506 1.00 20.26 N ATOM 710 CZ ARG A 109 13.077 8.582 -7.177 1.00 28.91 C ATOM 711 NH1 ARG A 109 14.169 9.190 -7.616 1.00 26.08 N ATOM 712 NH2 ARG A 109 12.226 9.235 -6.399 1.00 28.92 N ATOM 713 HE ARG A 109 11.988 6.865 -7.127 1.00 0.00 H ATOM 714 HH12 ARG A 109 14.351 10.181 -7.359 1.00 0.00 H ATOM 715 HH11 ARG A 109 14.844 8.676 -8.218 1.00 0.00 H ATOM 716 HH22 ARG A 109 12.410 10.226 -6.143 1.00 0.00 H ATOM 717 HH21 ARG A 109 11.374 8.756 -6.044 1.00 0.00 H ATOM 718 H ARG A 109 10.518 2.832 -7.372 1.00 0.00 H ATOM 719 N ALA A 110 13.947 1.338 -6.396 1.00 12.39 N ATOM 720 CA ALA A 110 14.287 0.551 -5.222 1.00 11.57 C ATOM 721 C ALA A 110 15.732 0.819 -4.844 1.00 12.32 C ATOM 722 O ALA A 110 16.580 1.020 -5.719 1.00 13.07 O ATOM 723 CB ALA A 110 14.137 -0.938 -5.500 1.00 13.05 C ATOM 724 H ALA A 110 14.651 1.429 -7.156 1.00 0.00 H ATOM 725 N VAL A 111 15.996 0.834 -3.543 1.00 11.00 N ATOM 726 CA VAL A 111 17.339 0.947 -2.991 1.00 11.43 C ATOM 727 C VAL A 111 17.604 -0.302 -2.161 1.00 11.18 C ATOM 728 O VAL A 111 16.768 -0.665 -1.321 1.00 12.24 O ATOM 729 CB VAL A 111 17.447 2.194 -2.090 1.00 12.24 C ATOM 730 CG1 VAL A 111 18.789 2.241 -1.359 1.00 14.75 C ATOM 731 CG2 VAL A 111 17.228 3.478 -2.891 1.00 14.12 C ATOM 732 H VAL A 111 15.198 0.761 -2.880 1.00 0.00 H ATOM 733 N SER A 112 18.778 -0.919 -2.340 1.00 10.92 N ATOM 734 CA SER A 112 19.216 -2.006 -1.487 1.00 11.11 C ATOM 735 C SER A 112 20.238 -1.457 -0.502 1.00 11.39 C ATOM 736 O SER A 112 21.184 -0.763 -0.915 1.00 12.30 O ATOM 737 CB SER A 112 19.843 -3.135 -2.295 1.00 11.73 C ATOM 738 OG SER A 112 18.883 -3.767 -3.130 1.00 12.32 O ATOM 739 HG SER A 112 18.505 -3.102 -3.758 1.00 0.00 H ATOM 740 H SER A 112 19.396 -0.608 -3.116 1.00 0.00 H ATOM 741 N THR A 113 20.077 -1.789 0.778 1.00 11.09 N ATOM 742 CA THR A 113 20.860 -1.166 1.838 1.00 11.54 C ATOM 743 C THR A 113 22.160 -1.889 2.180 1.00 11.86 C ATOM 744 O THR A 113 22.963 -1.317 2.927 1.00 13.27 O ATOM 745 CB THR A 113 20.018 -0.929 3.104 1.00 11.71 C ATOM 746 OG1 THR A 113 19.532 -2.180 3.605 1.00 11.94 O ATOM 747 CG2 THR A 113 18.856 0.028 2.839 1.00 13.14 C ATOM 748 HG1 THR A 113 18.971 -2.615 2.915 1.00 0.00 H ATOM 749 H THR A 113 19.373 -2.513 1.028 1.00 0.00 H ATOM 750 N HIS A 114 22.348 -3.145 1.758 1.00 10.55 N ATOM 751 CA HIS A 114 23.664 -3.782 1.772 1.00 11.62 C ATOM 752 C HIS A 114 23.627 -4.949 0.790 1.00 11.43 C ATOM 753 O HIS A 114 22.598 -5.228 0.177 1.00 12.28 O ATOM 754 CB HIS A 114 24.212 -4.089 3.187 1.00 12.13 C ATOM 755 CG HIS A 114 23.550 -5.222 3.922 1.00 13.46 C ATOM 756 ND1 HIS A 114 22.366 -5.081 4.618 1.00 12.92 N ATOM 757 CD2 HIS A 114 23.958 -6.495 4.139 1.00 13.09 C ATOM 758 CE1 HIS A 114 22.051 -6.234 5.187 1.00 13.31 C ATOM 759 NE2 HIS A 114 23.010 -7.101 4.933 1.00 12.69 N ATOM 760 H HIS A 114 21.531 -3.686 1.409 1.00 0.00 H ATOM 761 N PHE A 115 24.767 -5.612 0.617 1.00 11.70 N ATOM 762 CA PHE A 115 24.949 -6.551 -0.476 1.00 11.56 C ATOM 763 C PHE A 115 24.415 -7.952 -0.221 1.00 11.81 C ATOM 764 O PHE A 115 24.458 -8.769 -1.157 1.00 13.17 O ATOM 765 CB PHE A 115 26.429 -6.628 -0.860 1.00 13.14 C ATOM 766 CG PHE A 115 27.289 -7.416 0.094 1.00 14.21 C ATOM 767 CD1 PHE A 115 27.815 -6.836 1.228 1.00 15.09 C ATOM 768 CD2 PHE A 115 27.627 -8.735 -0.180 1.00 14.86 C ATOM 769 CE1 PHE A 115 28.632 -7.564 2.093 1.00 16.43 C ATOM 770 CE2 PHE A 115 28.453 -9.466 0.680 1.00 17.54 C ATOM 771 CZ PHE A 115 28.951 -8.880 1.808 1.00 18.59 C ATOM 772 H PHE A 115 25.550 -5.454 1.283 1.00 0.00 H ATOM 773 N HIS A 116 23.975 -8.277 0.992 1.00 12.46 N ATOM 774 CA HIS A 116 23.510 -9.625 1.282 1.00 12.53 C ATOM 775 C HIS A 116 22.182 -9.918 0.575 1.00 12.62 C ATOM 776 O HIS A 116 21.452 -9.027 0.160 1.00 12.35 O ATOM 777 CB HIS A 116 23.369 -9.833 2.790 1.00 14.23 C ATOM 778 CG HIS A 116 24.671 -9.887 3.526 1.00 14.83 C ATOM 779 ND1 HIS A 116 24.765 -9.668 4.886 1.00 15.67 N ATOM 780 CD2 HIS A 116 25.925 -10.177 3.103 1.00 18.74 C ATOM 781 CE1 HIS A 116 26.023 -9.799 5.261 1.00 17.34 C ATOM 782 NE2 HIS A 116 26.747 -10.128 4.205 1.00 19.56 N ATOM 783 H HIS A 116 23.963 -7.558 1.743 1.00 0.00 H ATOM 784 N ASP A 117 21.888 -11.211 0.446 1.00 13.27 N ATOM 785 CA ASP A 117 20.754 -11.680 -0.352 1.00 13.99 C ATOM 786 C ASP A 117 19.389 -11.263 0.196 1.00 12.94 C ATOM 787 O ASP A 117 18.410 -11.200 -0.560 1.00 13.64 O ATOM 788 CB ASP A 117 20.870 -13.201 -0.417 1.00 16.06 C ATOM 789 CG ASP A 117 19.990 -13.826 -1.454 1.00 24.70 C ATOM 790 OD1 ASP A 117 20.038 -13.402 -2.622 1.00 20.34 O ATOM 791 OD2 ASP A 117 19.278 -14.788 -1.102 1.00 23.70 O ATOM 792 H ASP A 117 22.485 -11.912 0.929 1.00 0.00 H ATOM 793 N ASP A 118 19.291 -10.984 1.497 1.00 12.71 N ATOM 794 CA ASP A 118 18.047 -10.458 2.053 1.00 12.60 C ATOM 795 C ASP A 118 17.766 -9.024 1.619 1.00 12.62 C ATOM 796 O ASP A 118 16.654 -8.521 1.841 1.00 14.73 O ATOM 797 CB ASP A 118 17.984 -10.587 3.586 1.00 13.92 C ATOM 798 CG ASP A 118 19.197 -10.050 4.302 1.00 14.56 C ATOM 799 OD1 ASP A 118 20.332 -10.140 3.810 1.00 19.59 O ATOM 800 OD2 ASP A 118 19.030 -9.588 5.468 1.00 17.21 O ATOM 801 H ASP A 118 20.108 -11.142 2.121 1.00 0.00 H ATOM 802 N ARG A 119 18.719 -8.369 0.958 1.00 11.99 N ATOM 803 CA ARG A 119 18.585 -6.999 0.500 1.00 11.92 C ATOM 804 C ARG A 119 18.618 -6.871 -1.010 1.00 11.42 C ATOM 805 O ARG A 119 17.985 -5.958 -1.544 1.00 12.12 O ATOM 806 CB ARG A 119 19.716 -6.135 1.089 1.00 11.50 C ATOM 807 CG ARG A 119 19.911 -6.262 2.567 1.00 12.55 C ATOM 808 CD ARG A 119 18.737 -5.768 3.363 1.00 14.32 C ATOM 809 NE ARG A 119 18.359 -6.691 4.427 1.00 13.65 N ATOM 810 CZ ARG A 119 17.203 -6.610 5.063 1.00 15.29 C ATOM 811 NH1 ARG A 119 16.383 -5.601 4.857 1.00 18.11 N ATOM 812 NH2 ARG A 119 16.901 -7.507 5.966 1.00 19.82 N ATOM 813 HE ARG A 119 19.025 -7.443 4.696 1.00 0.00 H ATOM 814 HH12 ARG A 119 15.478 -5.554 5.367 1.00 0.00 H ATOM 815 HH11 ARG A 119 16.641 -4.851 4.185 1.00 0.00 H ATOM 816 HH22 ARG A 119 15.994 -7.451 6.471 1.00 0.00 H ATOM 817 HH21 ARG A 119 17.568 -8.276 6.179 1.00 0.00 H ATOM 818 H ARG A 119 19.610 -8.868 0.759 1.00 0.00 H ATOM 819 N VAL A 120 19.356 -7.748 -1.710 1.00 11.83 N ATOM 820 CA VAL A 120 19.464 -7.722 -3.169 1.00 11.80 C ATOM 821 C VAL A 120 18.851 -8.937 -3.849 1.00 12.00 C ATOM 822 O VAL A 120 18.718 -8.924 -5.081 1.00 13.01 O ATOM 823 CB VAL A 120 20.919 -7.540 -3.663 1.00 12.19 C ATOM 824 CG1 VAL A 120 21.537 -6.241 -3.172 1.00 13.60 C ATOM 825 CG2 VAL A 120 21.812 -8.735 -3.309 1.00 12.98 C ATOM 826 H VAL A 120 19.877 -8.482 -1.189 1.00 0.00 H ATOM 827 N GLY A 121 18.540 -9.995 -3.127 1.00 12.59 N ATOM 828 CA GLY A 121 17.985 -11.168 -3.775 1.00 12.87 C ATOM 829 C GLY A 121 16.562 -10.882 -4.210 1.00 12.55 C ATOM 830 O GLY A 121 15.689 -10.620 -3.365 1.00 13.49 O ATOM 831 H GLY A 121 18.692 -9.989 -2.098 1.00 0.00 H ATOM 832 N GLY A 122 16.319 -10.842 -5.512 1.00 13.80 N ATOM 833 CA GLY A 122 15.087 -10.292 -6.052 1.00 14.20 C ATOM 834 C GLY A 122 15.277 -9.047 -6.878 1.00 12.93 C ATOM 835 O GLY A 122 14.322 -8.596 -7.523 1.00 13.58 O ATOM 836 H GLY A 122 17.033 -11.216 -6.169 1.00 0.00 H ATOM 837 N VAL A 123 16.486 -8.501 -6.919 1.00 12.98 N ATOM 838 CA VAL A 123 16.744 -7.329 -7.742 1.00 13.20 C ATOM 839 C VAL A 123 16.456 -7.609 -9.217 1.00 13.60 C ATOM 840 O VAL A 123 15.978 -6.731 -9.936 1.00 13.99 O ATOM 841 CB VAL A 123 18.182 -6.843 -7.492 1.00 14.31 C ATOM 842 CG1 VAL A 123 18.766 -6.138 -8.694 1.00 16.13 C ATOM 843 CG2 VAL A 123 18.202 -5.934 -6.293 1.00 14.77 C ATOM 844 H VAL A 123 17.257 -8.915 -6.357 1.00 0.00 H ATOM 845 N ASP A 124 16.739 -8.821 -9.696 1.00 13.64 N ATOM 846 CA ASP A 124 16.463 -9.114 -11.096 1.00 14.84 C ATOM 847 C ASP A 124 14.965 -9.076 -11.372 1.00 15.07 C ATOM 848 O ASP A 124 14.540 -8.575 -12.420 1.00 16.01 O ATOM 849 CB ASP A 124 17.059 -10.460 -11.503 1.00 16.25 C ATOM 850 CG ASP A 124 18.584 -10.458 -11.558 1.00 16.78 C ATOM 851 OD1 ASP A 124 19.250 -9.409 -11.425 1.00 17.61 O ATOM 852 OD2 ASP A 124 19.120 -11.574 -11.748 1.00 24.63 O ATOM 853 H ASP A 124 17.152 -9.548 -9.078 1.00 0.00 H ATOM 854 N VAL A 125 14.151 -9.642 -10.472 1.00 14.27 N ATOM 855 CA VAL A 125 12.698 -9.539 -10.591 1.00 14.73 C ATOM 856 C VAL A 125 12.278 -8.074 -10.669 1.00 14.50 C ATOM 857 O VAL A 125 11.468 -7.682 -11.519 1.00 15.95 O ATOM 858 CB VAL A 125 12.007 -10.275 -9.422 1.00 14.87 C ATOM 859 CG1 VAL A 125 10.524 -9.907 -9.303 1.00 17.75 C ATOM 860 CG2 VAL A 125 12.166 -11.755 -9.558 1.00 18.64 C ATOM 861 H VAL A 125 14.561 -10.165 -9.672 1.00 0.00 H ATOM 862 N LEU A 126 12.799 -7.238 -9.769 1.00 13.75 N ATOM 863 CA LEU A 126 12.455 -5.819 -9.800 1.00 13.51 C ATOM 864 C LEU A 126 12.837 -5.179 -11.132 1.00 15.02 C ATOM 865 O LEU A 126 12.038 -4.463 -11.747 1.00 15.50 O ATOM 866 CB LEU A 126 13.141 -5.085 -8.653 1.00 13.02 C ATOM 867 CG LEU A 126 12.749 -5.474 -7.234 1.00 12.99 C ATOM 868 CD1 LEU A 126 13.592 -4.695 -6.237 1.00 13.85 C ATOM 869 CD2 LEU A 126 11.281 -5.263 -6.963 1.00 14.50 C ATOM 870 H LEU A 126 13.452 -7.598 -9.044 1.00 0.00 H ATOM 871 N ARG A 127 14.086 -5.365 -11.552 1.00 14.47 N ATOM 872 CA ARG A 127 14.553 -4.726 -12.783 1.00 15.15 C ATOM 873 C ARG A 127 13.696 -5.126 -13.980 1.00 15.47 C ATOM 874 O ARG A 127 13.303 -4.277 -14.795 1.00 17.35 O ATOM 875 CB ARG A 127 16.021 -5.075 -13.024 1.00 14.89 C ATOM 876 CG ARG A 127 16.580 -4.485 -14.328 1.00 15.40 C ATOM 877 CD ARG A 127 18.010 -4.892 -14.601 1.00 16.07 C ATOM 878 NE ARG A 127 18.074 -6.280 -15.015 1.00 16.32 N ATOM 879 CZ ARG A 127 18.503 -7.286 -14.266 1.00 15.62 C ATOM 880 NH1 ARG A 127 18.961 -7.105 -13.029 1.00 18.37 N ATOM 881 NH2 ARG A 127 18.466 -8.501 -14.792 1.00 18.18 N ATOM 882 HE ARG A 127 17.757 -6.505 -15.980 1.00 0.00 H ATOM 883 HH12 ARG A 127 19.289 -7.919 -12.472 1.00 0.00 H ATOM 884 HH11 ARG A 127 18.991 -6.149 -12.620 1.00 0.00 H ATOM 885 HH22 ARG A 127 18.793 -9.318 -14.238 1.00 0.00 H ATOM 886 HH21 ARG A 127 18.110 -8.638 -15.759 1.00 0.00 H ATOM 887 H ARG A 127 14.733 -5.967 -11.003 1.00 0.00 H ATOM 888 N LYS A 128 13.409 -6.417 -14.106 1.00 16.47 N ATOM 889 CA LYS A 128 12.617 -6.881 -15.240 1.00 17.72 C ATOM 890 C LYS A 128 11.194 -6.355 -15.175 1.00 17.62 C ATOM 891 O LYS A 128 10.546 -6.224 -16.219 1.00 20.90 O ATOM 892 CB LYS A 128 12.629 -8.403 -15.282 1.00 19.67 C ATOM 893 CG LYS A 128 13.983 -8.982 -15.639 1.00 21.68 C ATOM 894 CD LYS A 128 13.966 -10.500 -15.676 1.00 28.76 C ATOM 895 H LYS A 128 13.749 -7.097 -13.396 1.00 0.00 H ATOM 896 N ALA A 129 10.685 -6.048 -13.986 1.00 18.82 N ATOM 897 CA ALA A 129 9.368 -5.439 -13.855 1.00 19.50 C ATOM 898 C ALA A 129 9.363 -3.946 -14.167 1.00 20.84 C ATOM 899 O ALA A 129 8.293 -3.333 -14.140 1.00 26.08 O ATOM 900 CB ALA A 129 8.813 -5.660 -12.448 1.00 19.12 C ATOM 901 H ALA A 129 11.240 -6.247 -13.129 1.00 0.00 H ATOM 902 N GLY A 130 10.509 -3.348 -14.474 1.00 19.25 N ATOM 903 CA GLY A 130 10.580 -1.936 -14.773 1.00 20.24 C ATOM 904 C GLY A 130 10.994 -1.054 -13.615 1.00 19.54 C ATOM 905 O GLY A 130 10.979 0.170 -13.763 1.00 21.81 O ATOM 906 H GLY A 130 11.382 -3.913 -14.500 1.00 0.00 H ATOM 907 N VAL A 131 11.389 -1.629 -12.482 1.00 16.67 N ATOM 908 CA VAL A 131 11.826 -0.852 -11.327 1.00 16.37 C ATOM 909 C VAL A 131 13.292 -0.495 -11.522 1.00 16.35 C ATOM 910 O VAL A 131 14.121 -1.363 -11.822 1.00 19.62 O ATOM 911 CB VAL A 131 11.644 -1.665 -10.034 1.00 15.78 C ATOM 912 CG1 VAL A 131 12.115 -0.866 -8.811 1.00 15.92 C ATOM 913 CG2 VAL A 131 10.209 -2.126 -9.858 1.00 18.27 C ATOM 914 H VAL A 131 11.386 -2.667 -12.418 1.00 0.00 H ATOM 915 N ALA A 132 13.625 0.776 -11.375 1.00 15.17 N ATOM 916 CA ALA A 132 15.024 1.187 -11.401 1.00 14.66 C ATOM 917 C ALA A 132 15.648 0.861 -10.048 1.00 13.80 C ATOM 918 O ALA A 132 15.184 1.342 -9.007 1.00 15.07 O ATOM 919 CB ALA A 132 15.110 2.684 -11.666 1.00 15.57 C ATOM 920 H ALA A 132 12.881 1.490 -11.239 1.00 0.00 H ATOM 921 N THR A 133 16.695 0.049 -10.052 1.00 13.12 N ATOM 922 CA THR A 133 17.314 -0.441 -8.824 1.00 13.49 C ATOM 923 C THR A 133 18.646 0.257 -8.578 1.00 12.39 C ATOM 924 O THR A 133 19.414 0.507 -9.517 1.00 13.13 O ATOM 925 CB THR A 133 17.502 -1.961 -8.879 1.00 13.61 C ATOM 926 OG1 THR A 133 18.329 -2.323 -10.002 1.00 13.87 O ATOM 927 CG2 THR A 133 16.155 -2.676 -8.957 1.00 15.96 C ATOM 928 HG1 THR A 133 17.897 -2.020 -10.840 1.00 0.00 H ATOM 929 H THR A 133 17.091 -0.251 -10.966 1.00 0.00 H ATOM 930 N TYR A 134 18.886 0.584 -7.312 1.00 11.97 N ATOM 931 CA TYR A 134 20.005 1.415 -6.899 1.00 12.15 C ATOM 932 C TYR A 134 20.690 0.814 -5.681 1.00 11.66 C ATOM 933 O TYR A 134 20.053 0.189 -4.822 1.00 11.76 O ATOM 934 CB TYR A 134 19.504 2.798 -6.454 1.00 12.49 C ATOM 935 CG TYR A 134 18.913 3.645 -7.554 1.00 13.38 C ATOM 936 CD1 TYR A 134 17.634 3.443 -7.998 1.00 14.50 C ATOM 937 CD2 TYR A 134 19.641 4.672 -8.119 1.00 14.85 C ATOM 938 CE1 TYR A 134 17.096 4.230 -9.012 1.00 16.73 C ATOM 939 CE2 TYR A 134 19.103 5.467 -9.132 1.00 15.87 C ATOM 940 CZ TYR A 134 17.830 5.234 -9.552 1.00 16.28 C ATOM 941 OH TYR A 134 17.279 6.009 -10.553 1.00 20.96 O ATOM 942 HH TYR A 134 17.823 5.919 -11.375 1.00 0.00 H ATOM 943 H TYR A 134 18.240 0.227 -6.579 1.00 0.00 H ATOM 944 N ALA A 135 21.995 1.055 -5.577 1.00 11.21 N ATOM 945 CA ALA A 135 22.760 0.765 -4.370 1.00 11.38 C ATOM 946 C ALA A 135 24.063 1.547 -4.448 1.00 11.73 C ATOM 947 O ALA A 135 24.421 2.056 -5.506 1.00 12.53 O ATOM 948 CB ALA A 135 23.044 -0.732 -4.228 1.00 11.86 C ATOM 949 H ALA A 135 22.491 1.468 -6.392 1.00 0.00 H ATOM 950 N SER A 136 24.756 1.682 -3.313 1.00 11.94 N ATOM 951 CA SER A 136 26.043 2.356 -3.361 1.00 12.24 C ATOM 952 C SER A 136 27.031 1.575 -4.225 1.00 12.32 C ATOM 953 O SER A 136 26.889 0.356 -4.404 1.00 12.64 O ATOM 954 CB SER A 136 26.632 2.502 -1.973 1.00 12.82 C ATOM 955 OG SER A 136 27.073 1.234 -1.515 1.00 13.30 O ATOM 956 HG SER A 136 27.458 1.328 -0.608 1.00 0.00 H ATOM 957 H SER A 136 24.383 1.313 -2.415 1.00 0.00 H ATOM 958 N PRO A 137 28.078 2.237 -4.722 1.00 13.09 N ATOM 959 CA PRO A 137 29.121 1.494 -5.448 1.00 13.87 C ATOM 960 C PRO A 137 29.719 0.388 -4.615 1.00 12.67 C ATOM 961 O PRO A 137 30.012 -0.682 -5.157 1.00 14.59 O ATOM 962 CB PRO A 137 30.157 2.572 -5.790 1.00 16.88 C ATOM 963 CG PRO A 137 29.386 3.837 -5.810 1.00 20.15 C ATOM 964 CD PRO A 137 28.282 3.694 -4.803 1.00 13.74 C ATOM 965 N SER A 138 29.874 0.610 -3.307 1.00 14.55 N ATOM 966 CA SER A 138 30.427 -0.408 -2.415 1.00 14.85 C ATOM 967 C SER A 138 29.537 -1.641 -2.347 1.00 12.29 C ATOM 968 O SER A 138 30.029 -2.774 -2.334 1.00 14.83 O ATOM 969 CB SER A 138 30.583 0.170 -1.012 1.00 16.70 C ATOM 970 OG SER A 138 31.061 -0.826 -0.127 1.00 19.77 O ATOM 971 HG SER A 138 31.159 -0.441 0.780 1.00 0.00 H ATOM 972 H SER A 138 29.594 1.531 -2.913 1.00 0.00 H ATOM 973 N THR A 139 28.226 -1.438 -2.245 1.00 12.20 N ATOM 974 CA THR A 139 27.284 -2.550 -2.256 1.00 12.07 C ATOM 975 C THR A 139 27.320 -3.284 -3.585 1.00 11.97 C ATOM 976 O THR A 139 27.296 -4.525 -3.615 1.00 12.67 O ATOM 977 CB THR A 139 25.878 -2.041 -1.954 1.00 11.72 C ATOM 978 OG1 THR A 139 25.848 -1.517 -0.630 1.00 12.09 O ATOM 979 CG2 THR A 139 24.839 -3.140 -2.115 1.00 12.14 C ATOM 980 HG1 THR A 139 26.090 -2.231 0.012 1.00 0.00 H ATOM 981 H THR A 139 27.866 -0.466 -2.156 1.00 0.00 H ATOM 982 N ARG A 140 27.373 -2.552 -4.703 1.00 11.90 N ATOM 983 CA ARG A 140 27.379 -3.202 -6.003 1.00 12.16 C ATOM 984 C ARG A 140 28.620 -4.056 -6.192 1.00 13.26 C ATOM 985 O ARG A 140 28.529 -5.170 -6.718 1.00 14.12 O ATOM 986 CB ARG A 140 27.244 -2.168 -7.120 1.00 13.43 C ATOM 987 CG ARG A 140 25.931 -1.406 -7.053 1.00 12.98 C ATOM 988 CD ARG A 140 25.761 -0.357 -8.127 1.00 14.85 C ATOM 989 NE ARG A 140 25.542 -0.982 -9.420 1.00 16.02 N ATOM 990 CZ ARG A 140 26.448 -1.205 -10.355 1.00 19.41 C ATOM 991 NH1 ARG A 140 27.707 -0.822 -10.221 1.00 26.80 N ATOM 992 NH2 ARG A 140 26.087 -1.828 -11.468 1.00 20.67 N ATOM 993 HE ARG A 140 24.570 -1.286 -9.632 1.00 0.00 H ATOM 994 HH12 ARG A 140 28.393 -1.015 -10.979 1.00 0.00 H ATOM 995 HH11 ARG A 140 28.011 -0.328 -9.358 1.00 0.00 H ATOM 996 HH22 ARG A 140 26.789 -2.011 -12.213 1.00 0.00 H ATOM 997 HH21 ARG A 140 25.101 -2.134 -11.596 1.00 0.00 H ATOM 998 H ARG A 140 27.410 -1.514 -4.642 1.00 0.00 H ATOM 999 N ARG A 141 29.795 -3.560 -5.800 1.00 13.10 N ATOM 1000 CA ARG A 141 31.011 -4.358 -5.916 1.00 14.10 C ATOM 1001 C ARG A 141 30.931 -5.604 -5.049 1.00 13.98 C ATOM 1002 O ARG A 141 31.364 -6.683 -5.463 1.00 15.63 O ATOM 1003 CB ARG A 141 32.240 -3.554 -5.499 1.00 17.46 C ATOM 1004 CG ARG A 141 32.607 -2.442 -6.445 1.00 17.74 C ATOM 1005 CD ARG A 141 33.977 -1.904 -6.153 1.00 20.75 C ATOM 1006 NE ARG A 141 34.095 -1.472 -4.776 1.00 20.99 N ATOM 1007 CZ ARG A 141 33.812 -0.260 -4.328 1.00 20.17 C ATOM 1008 NH1 ARG A 141 33.413 0.690 -5.159 1.00 21.75 N ATOM 1009 NH2 ARG A 141 33.958 0.022 -3.038 1.00 27.53 N ATOM 1010 HE ARG A 141 34.429 -2.172 -4.083 1.00 0.00 H ATOM 1011 HH12 ARG A 141 33.193 1.640 -4.796 1.00 0.00 H ATOM 1012 HH11 ARG A 141 33.319 0.487 -6.175 1.00 0.00 H ATOM 1013 HH22 ARG A 141 33.736 0.975 -2.686 1.00 0.00 H ATOM 1014 HH21 ARG A 141 34.295 -0.710 -2.381 1.00 0.00 H ATOM 1015 H ARG A 141 29.844 -2.598 -5.409 1.00 0.00 H ATOM 1016 N LEU A 142 30.466 -5.461 -3.813 1.00 13.91 N ATOM 1017 CA LEU A 142 30.421 -6.603 -2.912 1.00 14.14 C ATOM 1018 C LEU A 142 29.398 -7.625 -3.384 1.00 14.35 C ATOM 1019 O LEU A 142 29.631 -8.838 -3.295 1.00 15.05 O ATOM 1020 CB LEU A 142 30.131 -6.148 -1.483 1.00 13.76 C ATOM 1021 CG LEU A 142 31.252 -5.318 -0.845 1.00 15.28 C ATOM 1022 CD1 LEU A 142 30.762 -4.611 0.402 1.00 17.38 C ATOM 1023 CD2 LEU A 142 32.463 -6.171 -0.521 1.00 17.99 C ATOM 1024 H LEU A 142 30.133 -4.531 -3.488 1.00 0.00 H ATOM 1025 N ALA A 143 28.256 -7.163 -3.900 1.00 13.41 N ATOM 1026 CA ALA A 143 27.270 -8.092 -4.452 1.00 14.12 C ATOM 1027 C ALA A 143 27.859 -8.872 -5.619 1.00 15.69 C ATOM 1028 O ALA A 143 27.704 -10.097 -5.710 1.00 16.42 O ATOM 1029 CB ALA A 143 26.014 -7.340 -4.887 1.00 13.91 C ATOM 1030 H ALA A 143 28.067 -6.140 -3.909 1.00 0.00 H ATOM 1031 N GLU A 144 28.536 -8.180 -6.523 1.00 15.27 N ATOM 1032 CA GLU A 144 29.146 -8.864 -7.652 1.00 18.14 C ATOM 1033 C GLU A 144 30.150 -9.910 -7.185 1.00 19.01 C ATOM 1034 O GLU A 144 30.168 -11.031 -7.703 1.00 19.93 O ATOM 1035 CB GLU A 144 29.825 -7.857 -8.574 1.00 18.01 C ATOM 1036 CG GLU A 144 30.395 -8.498 -9.833 1.00 20.73 C ATOM 1037 CD GLU A 144 31.133 -7.518 -10.731 1.00 35.18 C ATOM 1038 OE1 GLU A 144 31.604 -7.937 -11.814 1.00 39.03 O ATOM 1039 OE2 GLU A 144 31.256 -6.334 -10.360 1.00 41.96 O ATOM 1040 H GLU A 144 28.631 -7.149 -6.425 1.00 0.00 H ATOM 1041 N ALA A 145 30.997 -9.570 -6.212 1.00 17.39 N ATOM 1042 CA ALA A 145 32.002 -10.520 -5.745 1.00 18.50 C ATOM 1043 C ALA A 145 31.374 -11.726 -5.062 1.00 20.00 C ATOM 1044 O ALA A 145 31.916 -12.837 -5.147 1.00 22.88 O ATOM 1045 CB ALA A 145 32.967 -9.816 -4.795 1.00 20.01 C ATOM 1046 H ALA A 145 30.941 -8.624 -5.784 1.00 0.00 H ATOM 1047 N GLU A 146 30.239 -11.542 -4.410 1.00 18.64 N ATOM 1048 CA GLU A 146 29.552 -12.604 -3.695 1.00 20.44 C ATOM 1049 C GLU A 146 28.736 -13.487 -4.619 1.00 19.11 C ATOM 1050 O GLU A 146 28.263 -14.541 -4.184 1.00 22.84 O ATOM 1051 CB GLU A 146 28.606 -11.993 -2.653 1.00 22.33 C ATOM 1052 CG GLU A 146 28.060 -12.970 -1.626 1.00 24.81 C ATOM 1053 CD GLU A 146 29.111 -13.401 -0.617 1.00 45.80 C ATOM 1054 OE1 GLU A 146 30.095 -12.656 -0.422 1.00 32.96 O ATOM 1055 OE2 GLU A 146 28.950 -14.487 -0.018 1.00 42.98 O ATOM 1056 H GLU A 146 29.817 -10.591 -4.409 1.00 0.00 H ATOM 1057 N GLY A 147 28.553 -13.079 -5.865 1.00 18.26 N ATOM 1058 CA GLY A 147 27.648 -13.782 -6.749 1.00 18.67 C ATOM 1059 C GLY A 147 26.194 -13.479 -6.508 1.00 18.72 C ATOM 1060 O GLY A 147 25.333 -14.281 -6.883 1.00 20.64 O ATOM 1061 H GLY A 147 29.066 -12.244 -6.213 1.00 0.00 H ATOM 1062 N ASN A 148 25.891 -12.357 -5.879 1.00 15.23 N ATOM 1063 CA ASN A 148 24.515 -11.953 -5.650 1.00 14.65 C ATOM 1064 C ASN A 148 24.037 -11.045 -6.787 1.00 15.84 C ATOM 1065 O ASN A 148 24.823 -10.558 -7.611 1.00 17.34 O ATOM 1066 CB ASN A 148 24.393 -11.220 -4.316 1.00 15.34 C ATOM 1067 CG ASN A 148 24.545 -12.132 -3.127 1.00 16.33 C ATOM 1068 OD1 ASN A 148 24.550 -13.356 -3.258 1.00 17.73 O ATOM 1069 ND2 ASN A 148 24.644 -11.543 -1.955 1.00 17.76 N ATOM 1070 HD22 ASN A 148 24.635 -10.505 -1.892 1.00 0.00 H ATOM 1071 HD21 ASN A 148 24.731 -12.115 -1.091 1.00 0.00 H ATOM 1072 H ASN A 148 26.660 -11.746 -5.538 1.00 0.00 H ATOM 1073 N GLU A 149 22.727 -10.822 -6.839 1.00 14.91 N ATOM 1074 CA GLU A 149 22.176 -9.922 -7.840 1.00 14.64 C ATOM 1075 C GLU A 149 22.649 -8.494 -7.584 1.00 13.16 C ATOM 1076 O GLU A 149 22.909 -8.094 -6.448 1.00 14.64 O ATOM 1077 CB GLU A 149 20.654 -10.028 -7.844 1.00 14.31 C ATOM 1078 CG GLU A 149 20.183 -11.404 -8.279 1.00 17.16 C ATOM 1079 CD GLU A 149 18.808 -11.714 -7.732 1.00 26.32 C ATOM 1080 OE1 GLU A 149 17.844 -11.023 -8.107 1.00 18.05 O ATOM 1081 OE2 GLU A 149 18.695 -12.620 -6.884 1.00 37.35 O ATOM 1082 H GLU A 149 22.094 -11.293 -6.161 1.00 0.00 H ATOM 1083 N ILE A 150 22.767 -7.726 -8.662 1.00 13.52 N ATOM 1084 CA ILE A 150 23.449 -6.438 -8.627 1.00 13.80 C ATOM 1085 C ILE A 150 22.483 -5.325 -9.017 1.00 12.43 C ATOM 1086 O ILE A 150 22.034 -5.271 -10.167 1.00 12.86 O ATOM 1087 CB ILE A 150 24.689 -6.425 -9.535 1.00 16.36 C ATOM 1088 CG1 ILE A 150 25.620 -7.611 -9.240 1.00 15.62 C ATOM 1089 CG2 ILE A 150 25.446 -5.109 -9.367 1.00 19.28 C ATOM 1090 CD1 ILE A 150 26.659 -7.834 -10.332 1.00 22.89 C ATOM 1091 H ILE A 150 22.359 -8.055 -9.561 1.00 0.00 H ATOM 1092 N PRO A 151 22.168 -4.404 -8.117 1.00 12.08 N ATOM 1093 CA PRO A 151 21.375 -3.232 -8.500 1.00 12.25 C ATOM 1094 C PRO A 151 22.010 -2.493 -9.677 1.00 12.29 C ATOM 1095 O PRO A 151 23.234 -2.456 -9.823 1.00 13.55 O ATOM 1096 CB PRO A 151 21.365 -2.394 -7.219 1.00 12.60 C ATOM 1097 CG PRO A 151 21.467 -3.420 -6.140 1.00 13.56 C ATOM 1098 CD PRO A 151 22.446 -4.413 -6.676 1.00 13.09 C ATOM 1099 N THR A 152 21.168 -1.890 -10.515 1.00 12.71 N ATOM 1100 CA THR A 152 21.630 -1.310 -11.778 1.00 13.52 C ATOM 1101 C THR A 152 22.438 -0.030 -11.591 1.00 13.51 C ATOM 1102 O THR A 152 23.464 0.162 -12.257 1.00 14.52 O ATOM 1103 CB THR A 152 20.422 -1.050 -12.674 1.00 14.17 C ATOM 1104 OG1 THR A 152 19.818 -2.308 -13.003 1.00 14.85 O ATOM 1105 CG2 THR A 152 20.787 -0.308 -13.966 1.00 14.89 C ATOM 1106 HG1 THR A 152 19.530 -2.762 -12.172 1.00 0.00 H ATOM 1107 H THR A 152 20.160 -1.830 -10.267 1.00 0.00 H ATOM 1108 N HIS A 153 21.982 0.866 -10.733 1.00 13.18 N ATOM 1109 CA HIS A 153 22.482 2.229 -10.662 1.00 13.14 C ATOM 1110 C HIS A 153 23.231 2.442 -9.358 1.00 12.65 C ATOM 1111 O HIS A 153 22.882 1.878 -8.323 1.00 13.59 O ATOM 1112 CB HIS A 153 21.327 3.215 -10.712 1.00 14.95 C ATOM 1113 CG HIS A 153 20.518 3.128 -11.962 1.00 15.45 C ATOM 1114 ND1 HIS A 153 20.968 3.558 -13.191 1.00 18.15 N ATOM 1115 CD2 HIS A 153 19.260 2.679 -12.151 1.00 16.39 C ATOM 1116 CE1 HIS A 153 20.022 3.349 -14.089 1.00 18.69 C ATOM 1117 NE2 HIS A 153 18.977 2.817 -13.486 1.00 19.06 N ATOM 1118 H HIS A 153 21.228 0.582 -10.076 1.00 0.00 H ATOM 1119 N SER A 154 24.276 3.252 -9.423 1.00 14.02 N ATOM 1120 CA SER A 154 25.102 3.568 -8.268 1.00 14.93 C ATOM 1121 C SER A 154 24.647 4.828 -7.551 1.00 16.39 C ATOM 1122 O SER A 154 24.367 5.853 -8.192 1.00 19.52 O ATOM 1123 CB SER A 154 26.535 3.795 -8.733 1.00 20.10 C ATOM 1124 OG SER A 154 27.126 2.580 -9.143 1.00 23.19 O ATOM 1125 HG SER A 154 26.604 2.196 -9.891 1.00 0.00 H ATOM 1126 H SER A 154 24.517 3.681 -10.339 1.00 0.00 H ATOM 1127 N LEU A 155 24.662 4.776 -6.224 1.00 14.27 N ATOM 1128 CA LEU A 155 24.343 5.907 -5.348 1.00 15.31 C ATOM 1129 C LEU A 155 25.641 6.503 -4.824 1.00 14.63 C ATOM 1130 O LEU A 155 26.260 5.958 -3.905 1.00 15.48 O ATOM 1131 CB LEU A 155 23.506 5.437 -4.173 1.00 15.74 C ATOM 1132 CG LEU A 155 22.124 4.910 -4.497 1.00 16.97 C ATOM 1133 CD1 LEU A 155 21.492 4.226 -3.314 1.00 18.43 C ATOM 1134 CD2 LEU A 155 21.222 6.040 -4.990 1.00 19.71 C ATOM 1135 H LEU A 155 24.917 3.872 -5.777 1.00 0.00 H ATOM 1136 N GLU A 156 26.020 7.641 -5.381 1.00 15.57 N ATOM 1137 CA GLU A 156 27.212 8.348 -4.954 1.00 14.88 C ATOM 1138 C GLU A 156 26.890 9.201 -3.726 1.00 14.02 C ATOM 1139 O GLU A 156 25.732 9.363 -3.323 1.00 15.59 O ATOM 1140 CB GLU A 156 27.756 9.208 -6.097 1.00 17.62 C ATOM 1141 CG GLU A 156 28.059 8.437 -7.361 1.00 25.27 C ATOM 1142 CD GLU A 156 29.205 7.463 -7.204 1.00 34.17 C ATOM 1143 OE1 GLU A 156 29.974 7.589 -6.230 1.00 46.93 O ATOM 1144 OE2 GLU A 156 29.337 6.567 -8.066 1.00 62.13 O ATOM 1145 H GLU A 156 25.445 8.042 -6.150 1.00 0.00 H ATOM 1146 N GLY A 157 27.941 9.716 -3.108 1.00 14.63 N ATOM 1147 CA GLY A 157 27.769 10.623 -1.993 1.00 14.31 C ATOM 1148 C GLY A 157 27.598 9.962 -0.655 1.00 14.92 C ATOM 1149 O GLY A 157 27.206 10.639 0.308 1.00 15.45 O ATOM 1150 H GLY A 157 28.899 9.467 -3.426 1.00 0.00 H ATOM 1151 N LEU A 158 27.870 8.661 -0.565 1.00 13.76 N ATOM 1152 CA LEU A 158 27.637 7.874 0.640 1.00 13.23 C ATOM 1153 C LEU A 158 28.869 7.093 1.083 1.00 13.99 C ATOM 1154 O LEU A 158 28.745 6.153 1.870 1.00 16.27 O ATOM 1155 CB LEU A 158 26.446 6.927 0.443 1.00 14.43 C ATOM 1156 CG LEU A 158 25.081 7.607 0.356 1.00 13.10 C ATOM 1157 CD1 LEU A 158 24.036 6.671 -0.192 1.00 15.48 C ATOM 1158 CD2 LEU A 158 24.652 8.145 1.711 1.00 15.17 C ATOM 1159 H LEU A 158 28.269 8.182 -1.397 1.00 0.00 H ATOM 1160 N SER A 159 30.063 7.453 0.638 1.00 15.03 N ATOM 1161 CA SER A 159 31.228 6.618 0.915 1.00 16.34 C ATOM 1162 C SER A 159 31.903 6.914 2.245 1.00 17.42 C ATOM 1163 O SER A 159 32.758 6.126 2.668 1.00 19.73 O ATOM 1164 CB SER A 159 32.249 6.691 -0.225 1.00 19.67 C ATOM 1165 OG SER A 159 32.780 7.984 -0.327 1.00 21.66 O ATOM 1166 HG SER A 159 32.049 8.626 -0.508 1.00 0.00 H ATOM 1167 H SER A 159 30.171 8.331 0.091 1.00 0.00 H ATOM 1168 N SER A 160 31.567 8.005 2.911 1.00 15.96 N ATOM 1169 CA SER A 160 32.184 8.346 4.185 1.00 17.85 C ATOM 1170 C SER A 160 31.153 8.253 5.301 1.00 18.48 C ATOM 1171 O SER A 160 29.984 8.589 5.105 1.00 15.76 O ATOM 1172 CB SER A 160 32.772 9.759 4.141 1.00 21.27 C ATOM 1173 OG SER A 160 33.866 9.820 3.240 1.00 27.04 O ATOM 1174 HG SER A 160 34.230 10.740 3.227 1.00 0.00 H ATOM 1175 H SER A 160 30.842 8.637 2.514 1.00 0.00 H ATOM 1176 N SER A 161 31.583 7.802 6.475 1.00 18.43 N ATOM 1177 CA SER A 161 30.652 7.690 7.590 1.00 16.82 C ATOM 1178 C SER A 161 30.108 9.067 7.949 1.00 14.59 C ATOM 1179 O SER A 161 30.849 10.050 8.019 1.00 18.95 O ATOM 1180 CB SER A 161 31.330 7.044 8.799 1.00 20.03 C ATOM 1181 OG SER A 161 32.384 7.840 9.282 1.00 22.21 O ATOM 1182 HG SER A 161 32.031 8.724 9.554 1.00 0.00 H ATOM 1183 H SER A 161 32.579 7.530 6.597 1.00 0.00 H ATOM 1184 N GLY A 162 28.797 9.131 8.147 1.00 15.62 N ATOM 1185 CA GLY A 162 28.077 10.357 8.384 1.00 16.85 C ATOM 1186 C GLY A 162 27.480 10.985 7.140 1.00 15.08 C ATOM 1187 O GLY A 162 26.749 11.974 7.259 1.00 17.13 O ATOM 1188 H GLY A 162 28.257 8.243 8.130 1.00 0.00 H ATOM 1189 N ASP A 163 27.779 10.458 5.953 1.00 14.72 N ATOM 1190 CA ASP A 163 27.226 10.998 4.722 1.00 14.30 C ATOM 1191 C ASP A 163 25.724 10.764 4.673 1.00 14.90 C ATOM 1192 O ASP A 163 25.216 9.717 5.093 1.00 14.52 O ATOM 1193 CB ASP A 163 27.851 10.327 3.500 1.00 15.86 C ATOM 1194 CG ASP A 163 29.183 10.918 3.097 1.00 17.13 C ATOM 1195 OD1 ASP A 163 29.548 12.008 3.576 1.00 20.48 O ATOM 1196 OD2 ASP A 163 29.851 10.266 2.252 1.00 19.16 O ATOM 1197 H ASP A 163 28.422 9.642 5.906 1.00 0.00 H ATOM 1198 N ALA A 164 25.024 11.726 4.083 1.00 14.08 N ATOM 1199 CA ALA A 164 23.587 11.655 3.910 1.00 14.66 C ATOM 1200 C ALA A 164 23.224 12.252 2.561 1.00 15.04 C ATOM 1201 O ALA A 164 23.778 13.280 2.161 1.00 16.60 O ATOM 1202 CB ALA A 164 22.867 12.429 5.008 1.00 17.47 C ATOM 1203 H ALA A 164 25.528 12.565 3.731 1.00 0.00 H ATOM 1204 N VAL A 165 22.290 11.609 1.862 1.00 13.80 N ATOM 1205 CA VAL A 165 21.818 12.113 0.575 1.00 14.16 C ATOM 1206 C VAL A 165 20.305 11.958 0.515 1.00 13.41 C ATOM 1207 O VAL A 165 19.734 11.021 1.085 1.00 15.02 O ATOM 1208 CB VAL A 165 22.485 11.419 -0.644 1.00 15.22 C ATOM 1209 CG1 VAL A 165 23.990 11.500 -0.587 1.00 16.19 C ATOM 1210 CG2 VAL A 165 22.060 9.971 -0.760 1.00 16.33 C ATOM 1211 H VAL A 165 21.888 10.728 2.241 1.00 0.00 H ATOM 1212 N ARG A 166 19.656 12.838 -0.230 1.00 13.63 N ATOM 1213 CA ARG A 166 18.223 12.725 -0.431 1.00 14.30 C ATOM 1214 C ARG A 166 17.934 11.852 -1.644 1.00 14.48 C ATOM 1215 O ARG A 166 18.609 11.940 -2.677 1.00 15.08 O ATOM 1216 CB ARG A 166 17.591 14.105 -0.559 1.00 15.96 C ATOM 1217 CG ARG A 166 17.722 14.861 0.744 1.00 23.55 C ATOM 1218 CD ARG A 166 16.963 16.151 0.744 1.00 41.62 C ATOM 1219 NE ARG A 166 17.139 16.852 2.009 1.00 48.19 N ATOM 1220 CZ ARG A 166 16.424 17.907 2.378 1.00 31.31 C ATOM 1221 NH1 ARG A 166 16.648 18.484 3.551 1.00 58.26 N ATOM 1222 NH2 ARG A 166 15.481 18.376 1.579 1.00 32.69 N ATOM 1223 HE ARG A 166 17.870 16.504 2.663 1.00 0.00 H ATOM 1224 HH12 ARG A 166 16.087 19.311 3.839 1.00 0.00 H ATOM 1225 HH11 ARG A 166 17.385 18.110 4.182 1.00 0.00 H ATOM 1226 HH22 ARG A 166 14.920 19.203 1.867 1.00 0.00 H ATOM 1227 HH21 ARG A 166 15.301 17.918 0.663 1.00 0.00 H ATOM 1228 H ARG A 166 20.178 13.619 -0.676 1.00 0.00 H ATOM 1229 N PHE A 167 16.896 11.028 -1.519 1.00 13.86 N ATOM 1230 CA PHE A 167 16.485 10.129 -2.597 1.00 14.22 C ATOM 1231 C PHE A 167 14.961 10.039 -2.523 1.00 14.39 C ATOM 1232 O PHE A 167 14.418 9.352 -1.662 1.00 14.92 O ATOM 1233 CB PHE A 167 17.134 8.755 -2.439 1.00 13.65 C ATOM 1234 CG PHE A 167 17.061 7.927 -3.677 1.00 14.47 C ATOM 1235 CD1 PHE A 167 18.040 8.035 -4.643 1.00 14.85 C ATOM 1236 CD2 PHE A 167 16.001 7.072 -3.895 1.00 16.13 C ATOM 1237 CE1 PHE A 167 17.967 7.306 -5.820 1.00 15.66 C ATOM 1238 CE2 PHE A 167 15.925 6.326 -5.062 1.00 16.37 C ATOM 1239 CZ PHE A 167 16.912 6.451 -6.025 1.00 16.61 C ATOM 1240 H PHE A 167 16.361 11.023 -0.627 1.00 0.00 H ATOM 1241 N GLY A 168 14.268 10.746 -3.401 1.00 15.71 N ATOM 1242 CA GLY A 168 12.828 10.781 -3.318 1.00 17.21 C ATOM 1243 C GLY A 168 12.383 11.257 -1.950 1.00 16.31 C ATOM 1244 O GLY A 168 12.898 12.246 -1.419 1.00 18.55 O ATOM 1245 H GLY A 168 14.760 11.275 -4.149 1.00 0.00 H ATOM 1246 N PRO A 169 11.437 10.541 -1.337 1.00 16.56 N ATOM 1247 CA PRO A 169 10.886 10.950 -0.038 1.00 17.35 C ATOM 1248 C PRO A 169 11.709 10.536 1.170 1.00 16.21 C ATOM 1249 O PRO A 169 11.232 10.685 2.298 1.00 18.09 O ATOM 1250 CB PRO A 169 9.527 10.230 -0.029 1.00 17.53 C ATOM 1251 CG PRO A 169 9.793 8.964 -0.755 1.00 19.34 C ATOM 1252 CD PRO A 169 10.769 9.330 -1.855 1.00 18.90 C ATOM 1253 N VAL A 170 12.928 10.044 0.981 1.00 14.15 N ATOM 1254 CA VAL A 170 13.738 9.601 2.109 1.00 13.91 C ATOM 1255 C VAL A 170 15.110 10.249 2.088 1.00 13.42 C ATOM 1256 O VAL A 170 15.530 10.849 1.095 1.00 14.05 O ATOM 1257 CB VAL A 170 13.897 8.067 2.157 1.00 13.33 C ATOM 1258 CG1 VAL A 170 12.542 7.381 2.135 1.00 15.05 C ATOM 1259 CG2 VAL A 170 14.807 7.548 1.020 1.00 14.18 C ATOM 1260 H VAL A 170 13.309 9.974 0.016 1.00 0.00 H ATOM 1261 N GLU A 171 15.780 10.148 3.227 1.00 13.04 N ATOM 1262 CA GLU A 171 17.198 10.422 3.332 1.00 12.89 C ATOM 1263 C GLU A 171 17.915 9.093 3.512 1.00 12.85 C ATOM 1264 O GLU A 171 17.516 8.271 4.350 1.00 14.24 O ATOM 1265 CB GLU A 171 17.476 11.340 4.525 1.00 15.03 C ATOM 1266 CG GLU A 171 18.924 11.713 4.676 1.00 17.55 C ATOM 1267 CD GLU A 171 19.130 12.775 5.755 1.00 20.06 C ATOM 1268 OE1 GLU A 171 19.003 12.460 6.956 1.00 21.88 O ATOM 1269 OE2 GLU A 171 19.408 13.936 5.403 1.00 23.05 O ATOM 1270 H GLU A 171 15.265 9.859 4.083 1.00 0.00 H ATOM 1271 N LEU A 172 18.981 8.886 2.749 1.00 12.41 N ATOM 1272 CA LEU A 172 19.868 7.744 2.903 1.00 12.52 C ATOM 1273 C LEU A 172 21.075 8.197 3.705 1.00 12.28 C ATOM 1274 O LEU A 172 21.611 9.279 3.461 1.00 13.47 O ATOM 1275 CB LEU A 172 20.328 7.249 1.530 1.00 12.48 C ATOM 1276 CG LEU A 172 19.223 6.952 0.514 1.00 13.99 C ATOM 1277 CD1 LEU A 172 19.828 6.550 -0.827 1.00 14.69 C ATOM 1278 CD2 LEU A 172 18.281 5.872 1.032 1.00 15.64 C ATOM 1279 H LEU A 172 19.193 9.577 2.001 1.00 0.00 H ATOM 1280 N PHE A 173 21.490 7.379 4.670 1.00 12.74 N ATOM 1281 CA PHE A 173 22.568 7.735 5.582 1.00 12.76 C ATOM 1282 C PHE A 173 23.547 6.575 5.673 1.00 12.08 C ATOM 1283 O PHE A 173 23.131 5.429 5.875 1.00 13.15 O ATOM 1284 CB PHE A 173 21.972 8.003 6.978 1.00 14.35 C ATOM 1285 CG PHE A 173 22.959 8.437 8.031 1.00 14.19 C ATOM 1286 CD1 PHE A 173 23.542 9.681 7.978 1.00 15.34 C ATOM 1287 CD2 PHE A 173 23.227 7.630 9.123 1.00 15.42 C ATOM 1288 CE1 PHE A 173 24.412 10.093 8.972 1.00 16.92 C ATOM 1289 CE2 PHE A 173 24.099 8.040 10.125 1.00 16.32 C ATOM 1290 CZ PHE A 173 24.690 9.261 10.043 1.00 16.90 C ATOM 1291 H PHE A 173 21.028 6.453 4.776 1.00 0.00 H ATOM 1292 N TYR A 174 24.833 6.859 5.550 1.00 12.38 N ATOM 1293 CA TYR A 174 25.858 5.847 5.770 1.00 12.71 C ATOM 1294 C TYR A 174 26.445 6.040 7.157 1.00 13.15 C ATOM 1295 O TYR A 174 27.169 7.016 7.381 1.00 14.05 O ATOM 1296 CB TYR A 174 26.953 5.922 4.707 1.00 13.43 C ATOM 1297 CG TYR A 174 28.068 4.935 4.983 1.00 13.37 C ATOM 1298 CD1 TYR A 174 27.804 3.585 5.218 1.00 13.76 C ATOM 1299 CD2 TYR A 174 29.380 5.347 5.038 1.00 14.82 C ATOM 1300 CE1 TYR A 174 28.822 2.695 5.523 1.00 13.83 C ATOM 1301 CE2 TYR A 174 30.408 4.470 5.326 1.00 15.97 C ATOM 1302 CZ TYR A 174 30.128 3.141 5.566 1.00 14.30 C ATOM 1303 OH TYR A 174 31.179 2.285 5.853 1.00 16.20 O ATOM 1304 HH TYR A 174 30.828 1.371 6.001 1.00 0.00 H ATOM 1305 H TYR A 174 25.119 7.825 5.291 1.00 0.00 H ATOM 1306 N PRO A 175 26.170 5.146 8.111 1.00 12.94 N ATOM 1307 CA PRO A 175 26.602 5.383 9.488 1.00 14.35 C ATOM 1308 C PRO A 175 28.016 4.939 9.772 1.00 14.80 C ATOM 1309 O PRO A 175 28.506 5.229 10.869 1.00 15.58 O ATOM 1310 CB PRO A 175 25.598 4.540 10.285 1.00 15.26 C ATOM 1311 CG PRO A 175 25.344 3.365 9.389 1.00 13.82 C ATOM 1312 CD PRO A 175 25.273 3.971 8.027 1.00 13.96 C ATOM 1313 N GLY A 176 28.664 4.265 8.838 1.00 14.74 N ATOM 1314 CA GLY A 176 29.895 3.558 9.099 1.00 15.77 C ATOM 1315 C GLY A 176 29.667 2.060 9.119 1.00 13.52 C ATOM 1316 O GLY A 176 28.545 1.572 9.083 1.00 14.45 O ATOM 1317 H GLY A 176 28.271 4.243 7.875 1.00 0.00 H ATOM 1318 N ALA A 177 30.775 1.338 9.182 1.00 15.19 N ATOM 1319 CA ALA A 177 30.703 -0.117 9.177 1.00 15.36 C ATOM 1320 C ALA A 177 29.982 -0.645 10.412 1.00 15.94 C ATOM 1321 O ALA A 177 30.136 -0.136 11.530 1.00 15.76 O ATOM 1322 CB ALA A 177 32.096 -0.712 9.090 1.00 16.47 C ATOM 1323 H ALA A 177 31.700 1.811 9.235 1.00 0.00 H ATOM 1324 N ALA A 178 29.184 -1.679 10.203 1.00 14.66 N ATOM 1325 CA ALA A 178 28.423 -2.262 11.294 1.00 15.91 C ATOM 1326 C ALA A 178 28.205 -3.732 10.986 1.00 14.43 C ATOM 1327 O ALA A 178 29.142 -4.529 11.063 1.00 15.79 O ATOM 1328 CB ALA A 178 27.138 -1.476 11.512 1.00 15.10 C ATOM 1329 H ALA A 178 29.101 -2.079 9.247 1.00 0.00 H ATOM 1330 N HIS A 179 26.986 -4.098 10.631 1.00 14.56 N ATOM 1331 CA HIS A 179 26.712 -5.447 10.173 1.00 14.95 C ATOM 1332 C HIS A 179 27.537 -5.793 8.936 1.00 14.63 C ATOM 1333 O HIS A 179 27.965 -6.936 8.750 1.00 15.59 O ATOM 1334 CB HIS A 179 25.225 -5.528 9.899 1.00 15.77 C ATOM 1335 CG HIS A 179 24.824 -6.723 9.138 1.00 16.36 C ATOM 1336 ND1 HIS A 179 24.692 -7.968 9.702 1.00 18.88 N ATOM 1337 CD2 HIS A 179 24.496 -6.856 7.836 1.00 16.24 C ATOM 1338 CE1 HIS A 179 24.284 -8.821 8.774 1.00 18.88 C ATOM 1339 NE2 HIS A 179 24.165 -8.168 7.633 1.00 16.96 N ATOM 1340 H HIS A 179 26.210 -3.407 10.681 1.00 0.00 H ATOM 1341 N SER A 180 27.733 -4.809 8.070 1.00 14.27 N ATOM 1342 CA SER A 180 28.606 -4.925 6.912 1.00 14.63 C ATOM 1343 C SER A 180 29.284 -3.583 6.711 1.00 14.99 C ATOM 1344 O SER A 180 28.912 -2.584 7.324 1.00 14.99 O ATOM 1345 CB SER A 180 27.819 -5.315 5.662 1.00 15.11 C ATOM 1346 OG SER A 180 26.885 -4.317 5.351 1.00 14.51 O ATOM 1347 HG SER A 180 26.381 -4.579 4.540 1.00 0.00 H ATOM 1348 H SER A 180 27.237 -3.908 8.226 1.00 0.00 H ATOM 1349 N THR A 181 30.302 -3.543 5.853 1.00 14.56 N ATOM 1350 CA THR A 181 30.979 -2.266 5.653 1.00 15.24 C ATOM 1351 C THR A 181 30.145 -1.292 4.848 1.00 15.04 C ATOM 1352 O THR A 181 30.364 -0.077 4.941 1.00 17.19 O ATOM 1353 CB THR A 181 32.331 -2.450 4.972 1.00 17.73 C ATOM 1354 OG1 THR A 181 32.123 -3.046 3.698 1.00 22.04 O ATOM 1355 CG2 THR A 181 33.245 -3.311 5.823 1.00 20.36 C ATOM 1356 HG1 THR A 181 31.547 -2.457 3.149 1.00 0.00 H ATOM 1357 H THR A 181 30.605 -4.396 5.341 1.00 0.00 H ATOM 1358 N ASP A 182 29.191 -1.798 4.072 1.00 13.82 N ATOM 1359 CA ASP A 182 28.405 -0.993 3.150 1.00 13.45 C ATOM 1360 C ASP A 182 27.009 -0.634 3.661 1.00 12.58 C ATOM 1361 O ASP A 182 26.267 0.045 2.942 1.00 13.54 O ATOM 1362 CB ASP A 182 28.286 -1.719 1.798 1.00 12.86 C ATOM 1363 CG ASP A 182 27.585 -3.068 1.901 1.00 12.89 C ATOM 1364 OD1 ASP A 182 27.805 -3.794 2.905 1.00 13.88 O ATOM 1365 OD2 ASP A 182 26.800 -3.417 0.965 1.00 13.21 O ATOM 1366 H ASP A 182 28.998 -2.818 4.127 1.00 0.00 H ATOM 1367 N ASN A 183 26.637 -1.037 4.865 1.00 12.30 N ATOM 1368 CA ASN A 183 25.243 -0.906 5.246 1.00 11.68 C ATOM 1369 C ASN A 183 24.776 0.548 5.323 1.00 11.76 C ATOM 1370 O ASN A 183 25.451 1.419 5.904 1.00 12.90 O ATOM 1371 CB ASN A 183 24.942 -1.686 6.537 1.00 12.98 C ATOM 1372 CG ASN A 183 25.896 -1.436 7.737 1.00 12.65 C ATOM 1373 OD1 ASN A 183 26.015 -2.340 8.577 1.00 14.57 O ATOM 1374 ND2 ASN A 183 26.518 -0.281 7.841 1.00 13.66 N ATOM 1375 HD22 ASN A 183 26.387 0.448 7.111 1.00 0.00 H ATOM 1376 HD21 ASN A 183 27.140 -0.097 8.654 1.00 0.00 H ATOM 1377 H ASN A 183 27.331 -1.440 5.526 1.00 0.00 H ATOM 1378 N LEU A 184 23.598 0.803 4.739 1.00 11.88 N ATOM 1379 CA LEU A 184 22.930 2.096 4.785 1.00 11.98 C ATOM 1380 C LEU A 184 21.717 2.028 5.700 1.00 12.15 C ATOM 1381 O LEU A 184 21.105 0.969 5.883 1.00 13.03 O ATOM 1382 CB LEU A 184 22.424 2.501 3.399 1.00 12.77 C ATOM 1383 CG LEU A 184 23.457 2.590 2.280 1.00 13.51 C ATOM 1384 CD1 LEU A 184 22.782 3.013 0.978 1.00 13.48 C ATOM 1385 CD2 LEU A 184 24.547 3.575 2.639 1.00 14.04 C ATOM 1386 H LEU A 184 23.132 0.031 4.221 1.00 0.00 H ATOM 1387 N VAL A 185 21.353 3.167 6.277 1.00 12.27 N ATOM 1388 CA VAL A 185 20.056 3.309 6.924 1.00 12.37 C ATOM 1389 C VAL A 185 19.250 4.377 6.182 1.00 12.00 C ATOM 1390 O VAL A 185 19.766 5.144 5.356 1.00 12.78 O ATOM 1391 CB VAL A 185 20.151 3.588 8.440 1.00 14.20 C ATOM 1392 CG1 VAL A 185 21.063 2.564 9.107 1.00 16.94 C ATOM 1393 CG2 VAL A 185 20.706 4.960 8.687 1.00 14.28 C ATOM 1394 H VAL A 185 22.008 3.975 6.267 1.00 0.00 H ATOM 1395 N VAL A 186 17.950 4.382 6.442 1.00 11.76 N ATOM 1396 CA VAL A 186 17.000 5.200 5.693 1.00 12.10 C ATOM 1397 C VAL A 186 16.089 5.915 6.671 1.00 12.94 C ATOM 1398 O VAL A 186 15.523 5.281 7.564 1.00 13.84 O ATOM 1399 CB VAL A 186 16.168 4.327 4.740 1.00 12.52 C ATOM 1400 CG1 VAL A 186 15.169 5.180 3.954 1.00 14.31 C ATOM 1401 CG2 VAL A 186 17.077 3.547 3.805 1.00 13.35 C ATOM 1402 H VAL A 186 17.592 3.779 7.210 1.00 0.00 H ATOM 1403 N TYR A 187 15.933 7.217 6.497 1.00 12.43 N ATOM 1404 CA TYR A 187 15.046 8.006 7.346 1.00 12.96 C ATOM 1405 C TYR A 187 13.943 8.605 6.490 1.00 13.25 C ATOM 1406 O TYR A 187 14.195 9.090 5.383 1.00 14.03 O ATOM 1407 CB TYR A 187 15.809 9.123 8.041 1.00 13.81 C ATOM 1408 CG TYR A 187 15.052 9.793 9.166 1.00 14.69 C ATOM 1409 CD1 TYR A 187 14.748 9.083 10.316 1.00 16.33 C ATOM 1410 CD2 TYR A 187 14.692 11.123 9.105 1.00 16.59 C ATOM 1411 CE1 TYR A 187 14.093 9.677 11.375 1.00 19.93 C ATOM 1412 CE2 TYR A 187 14.026 11.734 10.177 1.00 17.68 C ATOM 1413 CZ TYR A 187 13.743 10.987 11.292 1.00 17.71 C ATOM 1414 OH TYR A 187 13.093 11.550 12.381 1.00 22.37 O ATOM 1415 HH TYR A 187 12.207 11.887 12.097 1.00 0.00 H ATOM 1416 H TYR A 187 16.457 7.692 5.734 1.00 0.00 H ATOM 1417 N VAL A 188 12.715 8.575 6.999 1.00 13.24 N ATOM 1418 CA VAL A 188 11.572 9.200 6.330 1.00 14.34 C ATOM 1419 C VAL A 188 11.229 10.454 7.120 1.00 16.89 C ATOM 1420 O VAL A 188 10.546 10.361 8.151 1.00 16.38 O ATOM 1421 CB VAL A 188 10.364 8.254 6.256 1.00 14.36 C ATOM 1422 CG1 VAL A 188 9.278 8.876 5.362 1.00 16.95 C ATOM 1423 CG2 VAL A 188 10.767 6.865 5.754 1.00 15.11 C ATOM 1424 H VAL A 188 12.561 8.090 7.906 1.00 0.00 H ATOM 1425 N PRO A 189 11.696 11.637 6.692 1.00 16.38 N ATOM 1426 CA PRO A 189 11.523 12.834 7.535 1.00 17.71 C ATOM 1427 C PRO A 189 10.075 13.166 7.822 1.00 20.79 C ATOM 1428 O PRO A 189 9.754 13.612 8.931 1.00 23.37 O ATOM 1429 CB PRO A 189 12.213 13.942 6.726 1.00 24.90 C ATOM 1430 CG PRO A 189 13.064 13.268 5.740 1.00 25.49 C ATOM 1431 CD PRO A 189 12.495 11.907 5.479 1.00 17.76 C ATOM 1432 N SER A 190 9.186 12.969 6.846 1.00 20.57 N ATOM 1433 CA SER A 190 7.791 13.351 7.014 1.00 21.73 C ATOM 1434 C SER A 190 7.108 12.570 8.125 1.00 21.68 C ATOM 1435 O SER A 190 6.108 13.046 8.674 1.00 24.87 O ATOM 1436 CB SER A 190 7.045 13.155 5.696 1.00 25.58 C ATOM 1437 OG SER A 190 6.973 11.784 5.342 1.00 34.24 O ATOM 1438 HG SER A 190 7.889 11.422 5.242 1.00 0.00 H ATOM 1439 H SER A 190 9.494 12.536 5.952 1.00 0.00 H ATOM 1440 N ALA A 191 7.621 11.390 8.472 1.00 20.46 N ATOM 1441 CA ALA A 191 6.997 10.518 9.459 1.00 20.93 C ATOM 1442 C ALA A 191 7.896 10.196 10.644 1.00 18.62 C ATOM 1443 O ALA A 191 7.474 9.459 11.538 1.00 19.86 O ATOM 1444 CB ALA A 191 6.578 9.198 8.794 1.00 25.44 C ATOM 1445 H ALA A 191 8.504 11.078 8.019 1.00 0.00 H ATOM 1446 N ASN A 192 9.126 10.708 10.663 1.00 18.11 N ATOM 1447 CA ASN A 192 10.101 10.390 11.706 1.00 17.63 C ATOM 1448 C ASN A 192 10.264 8.885 11.872 1.00 16.45 C ATOM 1449 O ASN A 192 10.313 8.356 12.983 1.00 18.06 O ATOM 1450 CB ASN A 192 9.750 11.071 13.024 1.00 21.32 C ATOM 1451 CG ASN A 192 9.936 12.569 12.958 1.00 33.00 C ATOM 1452 OD1 ASN A 192 10.952 13.056 12.453 1.00 29.72 O ATOM 1453 ND2 ASN A 192 8.947 13.311 13.440 1.00 33.93 N ATOM 1454 HD22 ASN A 192 8.110 12.855 13.856 1.00 0.00 H ATOM 1455 HD21 ASN A 192 9.009 14.348 13.401 1.00 0.00 H ATOM 1456 H ASN A 192 9.405 11.362 9.904 1.00 0.00 H ATOM 1457 N VAL A 193 10.350 8.186 10.748 1.00 15.13 N ATOM 1458 CA VAL A 193 10.566 6.741 10.727 1.00 15.03 C ATOM 1459 C VAL A 193 12.017 6.480 10.349 1.00 14.29 C ATOM 1460 O VAL A 193 12.475 6.921 9.288 1.00 14.54 O ATOM 1461 CB VAL A 193 9.607 6.046 9.744 1.00 15.32 C ATOM 1462 CG1 VAL A 193 9.963 4.563 9.577 1.00 15.21 C ATOM 1463 CG2 VAL A 193 8.170 6.211 10.204 1.00 17.60 C ATOM 1464 H VAL A 193 10.260 8.688 9.842 1.00 0.00 H ATOM 1465 N LEU A 194 12.715 5.711 11.180 1.00 14.04 N ATOM 1466 CA LEU A 194 14.087 5.299 10.933 1.00 14.32 C ATOM 1467 C LEU A 194 14.094 3.816 10.606 1.00 13.06 C ATOM 1468 O LEU A 194 13.741 2.975 11.448 1.00 14.63 O ATOM 1469 CB LEU A 194 14.942 5.561 12.162 1.00 15.54 C ATOM 1470 CG LEU A 194 16.401 5.135 12.074 1.00 18.57 C ATOM 1471 CD1 LEU A 194 17.100 5.898 10.986 1.00 21.01 C ATOM 1472 CD2 LEU A 194 17.095 5.354 13.396 1.00 21.12 C ATOM 1473 H LEU A 194 12.254 5.387 12.054 1.00 0.00 H ATOM 1474 N TYR A 195 14.472 3.487 9.382 1.00 13.09 N ATOM 1475 CA TYR A 195 14.680 2.113 8.973 1.00 11.94 C ATOM 1476 C TYR A 195 16.165 1.817 9.091 1.00 12.50 C ATOM 1477 O TYR A 195 16.994 2.352 8.352 1.00 12.80 O ATOM 1478 CB TYR A 195 14.199 1.933 7.547 1.00 13.55 C ATOM 1479 CG TYR A 195 14.505 0.610 6.968 1.00 13.08 C ATOM 1480 CD1 TYR A 195 13.732 -0.482 7.252 1.00 16.50 C ATOM 1481 CD2 TYR A 195 15.548 0.461 6.074 1.00 14.50 C ATOM 1482 CE1 TYR A 195 13.994 -1.707 6.665 1.00 19.84 C ATOM 1483 CE2 TYR A 195 15.833 -0.751 5.489 1.00 14.70 C ATOM 1484 CZ TYR A 195 15.069 -1.825 5.798 1.00 15.40 C ATOM 1485 OH TYR A 195 15.322 -3.035 5.189 1.00 18.84 O ATOM 1486 HH TYR A 195 15.222 -2.937 4.209 1.00 0.00 H ATOM 1487 H TYR A 195 14.626 4.244 8.686 1.00 0.00 H ATOM 1488 N GLY A 196 16.513 0.990 10.075 1.00 13.87 N ATOM 1489 CA GLY A 196 17.910 0.718 10.339 1.00 14.27 C ATOM 1490 C GLY A 196 18.522 -0.385 9.534 1.00 15.06 C ATOM 1491 O GLY A 196 19.752 -0.541 9.533 1.00 15.81 O ATOM 1492 H GLY A 196 15.778 0.538 10.656 1.00 0.00 H ATOM 1493 N GLY A 197 17.725 -1.176 8.839 1.00 15.75 N ATOM 1494 CA GLY A 197 18.243 -2.326 8.151 1.00 15.97 C ATOM 1495 C GLY A 197 19.040 -3.190 9.110 1.00 13.19 C ATOM 1496 O GLY A 197 18.799 -3.222 10.311 1.00 13.56 O ATOM 1497 H GLY A 197 16.708 -0.964 8.789 1.00 0.00 H HETATM 1498 N CSD A 198 20.008 -3.928 8.587 1.00 21.78 N HETATM 1499 CA CSD A 198 20.685 -4.884 9.423 1.00 40.05 C HETATM 1500 C CSD A 198 21.694 -4.300 10.393 1.00 17.59 C HETATM 1501 O CSD A 198 22.224 -5.010 11.233 1.00 12.09 O HETATM 1502 CB CSD A 198 21.370 -6.045 8.717 1.00 17.00 C HETATM 1503 SG CSD A 198 20.197 -7.320 8.431 1.00 43.21 S HETATM 1504 OD2 CSD A 198 19.219 -6.526 7.291 1.00 46.24 O HETATM 1505 OD1 CSD A 198 20.812 -8.264 7.506 1.00 46.49 O HETATM 1506 H CSD A 198 20.275 -3.818 7.588 1.00 0.00 H ATOM 1507 N ALA A 199 21.962 -3.002 10.290 1.00 11.49 N ATOM 1508 CA ALA A 199 22.795 -2.311 11.286 1.00 15.27 C ATOM 1509 C ALA A 199 22.066 -2.161 12.626 1.00 13.77 C ATOM 1510 O ALA A 199 22.677 -1.771 13.622 1.00 14.05 O ATOM 1511 CB ALA A 199 23.213 -0.951 10.763 1.00 16.51 C ATOM 1512 H ALA A 199 21.575 -2.464 9.489 1.00 0.00 H ATOM 1513 N VAL A 200 20.761 -2.427 12.647 1.00 12.26 N ATOM 1514 CA VAL A 200 19.961 -2.315 13.858 1.00 12.48 C ATOM 1515 C VAL A 200 19.278 -3.641 14.124 1.00 11.93 C ATOM 1516 O VAL A 200 18.637 -4.217 13.232 1.00 12.99 O ATOM 1517 CB VAL A 200 18.939 -1.175 13.728 1.00 13.40 C ATOM 1518 CG1 VAL A 200 18.044 -1.094 14.961 1.00 14.41 C ATOM 1519 CG2 VAL A 200 19.628 0.152 13.484 1.00 13.91 C ATOM 1520 H VAL A 200 20.297 -2.726 11.766 1.00 0.00 H ATOM 1521 N LEU A 201 19.400 -4.103 15.359 1.00 12.59 N ATOM 1522 CA LEU A 201 18.842 -5.359 15.827 1.00 12.77 C ATOM 1523 C LEU A 201 17.531 -5.132 16.582 1.00 13.75 C ATOM 1524 O LEU A 201 17.351 -4.138 17.288 1.00 14.53 O ATOM 1525 CB LEU A 201 19.846 -6.046 16.764 1.00 14.67 C ATOM 1526 CG LEU A 201 21.234 -6.319 16.162 1.00 16.63 C ATOM 1527 CD1 LEU A 201 22.158 -6.958 17.179 1.00 18.58 C ATOM 1528 CD2 LEU A 201 21.140 -7.175 14.930 1.00 19.66 C ATOM 1529 H LEU A 201 19.933 -3.526 16.041 1.00 0.00 H ATOM 1530 N ALA A 202 16.625 -6.094 16.461 1.00 12.61 N ATOM 1531 CA ALA A 202 15.392 -6.082 17.239 1.00 13.46 C ATOM 1532 C ALA A 202 15.679 -6.300 18.728 1.00 13.03 C ATOM 1533 O ALA A 202 16.695 -6.889 19.119 1.00 13.29 O ATOM 1534 CB ALA A 202 14.450 -7.180 16.741 1.00 14.41 C ATOM 1535 H ALA A 202 16.798 -6.874 15.796 1.00 0.00 H ATOM 1536 N LEU A 203 14.752 -5.822 19.564 1.00 14.18 N ATOM 1537 CA LEU A 203 14.914 -5.932 21.013 1.00 14.38 C ATOM 1538 C LEU A 203 14.993 -7.367 21.512 1.00 14.52 C ATOM 1539 O LEU A 203 15.570 -7.612 22.569 1.00 15.10 O ATOM 1540 CB LEU A 203 13.765 -5.224 21.721 1.00 15.69 C ATOM 1541 CG LEU A 203 13.704 -3.716 21.508 1.00 16.30 C ATOM 1542 CD1 LEU A 203 12.447 -3.141 22.131 1.00 19.18 C ATOM 1543 CD2 LEU A 203 14.949 -3.046 22.034 1.00 17.06 C ATOM 1544 H LEU A 203 13.902 -5.364 19.178 1.00 0.00 H ATOM 1545 N SER A 204 14.425 -8.319 20.778 1.00 14.94 N ATOM 1546 CA SER A 204 14.492 -9.715 21.182 1.00 16.44 C ATOM 1547 C SER A 204 15.790 -10.400 20.775 1.00 16.49 C ATOM 1548 O SER A 204 16.023 -11.543 21.200 1.00 17.44 O ATOM 1549 CB SER A 204 13.327 -10.470 20.573 1.00 18.32 C ATOM 1550 OG SER A 204 13.499 -10.496 19.172 1.00 18.97 O ATOM 1551 HG SER A 204 12.746 -10.986 18.757 1.00 0.00 H ATOM 1552 H SER A 204 13.926 -8.062 19.903 1.00 0.00 H ATOM 1553 N ARG A 205 16.643 -9.745 19.995 1.00 15.08 N ATOM 1554 CA ARG A 205 17.894 -10.362 19.584 1.00 14.49 C ATOM 1555 C ARG A 205 18.849 -10.456 20.766 1.00 15.97 C ATOM 1556 O ARG A 205 18.983 -9.521 21.561 1.00 17.12 O ATOM 1557 CB ARG A 205 18.559 -9.556 18.474 1.00 15.10 C ATOM 1558 CG ARG A 205 17.803 -9.534 17.148 1.00 15.05 C ATOM 1559 CD ARG A 205 17.935 -10.856 16.387 1.00 15.34 C ATOM 1560 NE ARG A 205 19.308 -11.182 16.039 1.00 16.74 N ATOM 1561 CZ ARG A 205 19.920 -10.827 14.912 1.00 17.90 C ATOM 1562 NH1 ARG A 205 21.190 -11.180 14.726 1.00 19.83 N ATOM 1563 NH2 ARG A 205 19.296 -10.113 13.974 1.00 16.16 N ATOM 1564 HE ARG A 205 19.856 -11.738 16.726 1.00 0.00 H ATOM 1565 HH12 ARG A 205 21.682 -10.910 13.850 1.00 0.00 H ATOM 1566 HH11 ARG A 205 21.690 -11.726 15.456 1.00 0.00 H ATOM 1567 HH22 ARG A 205 19.798 -9.849 13.102 1.00 0.00 H ATOM 1568 HH21 ARG A 205 18.308 -9.821 14.115 1.00 0.00 H ATOM 1569 H ARG A 205 16.414 -8.782 19.675 1.00 0.00 H ATOM 1570 N THR A 206 19.521 -11.598 20.867 1.00 16.79 N ATOM 1571 CA THR A 206 20.560 -11.828 21.863 1.00 18.33 C ATOM 1572 C THR A 206 21.928 -11.973 21.230 1.00 19.27 C ATOM 1573 O THR A 206 22.934 -11.966 21.951 1.00 21.91 O ATOM 1574 CB THR A 206 20.287 -13.114 22.666 1.00 20.42 C ATOM 1575 OG1 THR A 206 20.553 -14.263 21.847 1.00 24.23 O ATOM 1576 CG2 THR A 206 18.862 -13.144 23.160 1.00 26.46 C ATOM 1577 HG1 THR A 206 19.965 -14.242 21.051 1.00 0.00 H ATOM 1578 H THR A 206 19.294 -12.365 20.203 1.00 0.00 H ATOM 1579 N SER A 207 21.986 -12.135 19.917 1.00 21.35 N ATOM 1580 CA SER A 207 23.202 -12.440 19.189 1.00 24.07 C ATOM 1581 C SER A 207 23.327 -11.452 18.044 1.00 21.09 C ATOM 1582 O SER A 207 22.324 -11.008 17.486 1.00 19.60 O ATOM 1583 CB SER A 207 23.116 -13.863 18.612 1.00 25.28 C ATOM 1584 OG SER A 207 24.182 -14.144 17.727 1.00 31.34 O ATOM 1585 HG SER A 207 24.087 -15.067 17.381 1.00 0.00 H ATOM 1586 H SER A 207 21.104 -12.037 19.374 1.00 0.00 H ATOM 1587 N ALA A 208 24.566 -11.121 17.680 1.00 20.95 N ATOM 1588 CA ALA A 208 24.790 -10.323 16.485 1.00 23.60 C ATOM 1589 C ALA A 208 24.536 -11.112 15.208 1.00 20.55 C ATOM 1590 O ALA A 208 24.546 -10.514 14.129 1.00 25.36 O ATOM 1591 CB ALA A 208 26.215 -9.775 16.459 1.00 30.98 C ATOM 1592 H ALA A 208 25.375 -11.435 18.253 1.00 0.00 H ATOM 1593 N GLY A 209 24.320 -12.424 15.303 1.00 21.06 N ATOM 1594 CA GLY A 209 23.973 -13.217 14.137 1.00 23.84 C ATOM 1595 C GLY A 209 25.139 -13.469 13.204 1.00 26.70 C ATOM 1596 O GLY A 209 26.227 -13.823 13.654 1.00 25.85 O ATOM 1597 H GLY A 209 24.402 -12.889 16.230 1.00 0.00 H ATOM 1598 N ASN A 210 24.930 -13.284 11.903 1.00 32.82 N ATOM 1599 CA ASN A 210 25.986 -13.490 10.916 1.00 36.05 C ATOM 1600 C ASN A 210 26.955 -12.314 10.981 1.00 24.94 C ATOM 1601 O ASN A 210 26.631 -11.208 10.534 1.00 27.50 O ATOM 1602 H ASN A 210 23.988 -12.984 11.580 1.00 0.00 H ATOM 1603 N VAL A 211 28.139 -12.551 11.544 1.00 28.14 N ATOM 1604 CA VAL A 211 29.152 -11.514 11.723 1.00 26.94 C ATOM 1605 C VAL A 211 30.322 -11.684 10.764 1.00 27.43 C ATOM 1606 O VAL A 211 31.347 -11.020 10.923 1.00 25.50 O ATOM 1607 CB VAL A 211 29.637 -11.406 13.183 1.00 26.68 C ATOM 1608 CG1 VAL A 211 28.481 -11.098 14.113 1.00 27.42 C ATOM 1609 CG2 VAL A 211 30.359 -12.667 13.638 1.00 29.70 C ATOM 1610 H VAL A 211 28.351 -13.516 11.870 1.00 0.00 H ATOM 1611 N ALA A 212 30.196 -12.556 9.765 1.00 33.40 N ATOM 1612 CA ALA A 212 31.314 -12.800 8.856 1.00 30.39 C ATOM 1613 C ALA A 212 31.774 -11.511 8.186 1.00 24.08 C ATOM 1614 O ALA A 212 32.972 -11.314 7.953 1.00 26.76 O ATOM 1615 CB ALA A 212 30.914 -13.836 7.807 1.00 32.58 C ATOM 1616 H ALA A 212 29.299 -13.065 9.631 1.00 0.00 H ATOM 1617 N ASP A 213 30.839 -10.623 7.868 1.00 23.05 N ATOM 1618 CA ASP A 213 31.141 -9.387 7.162 1.00 20.05 C ATOM 1619 C ASP A 213 31.084 -8.172 8.065 1.00 20.17 C ATOM 1620 O ASP A 213 31.213 -7.045 7.577 1.00 21.48 O ATOM 1621 CB ASP A 213 30.189 -9.215 5.977 1.00 23.62 C ATOM 1622 CG ASP A 213 30.410 -10.260 4.911 1.00 27.52 C ATOM 1623 OD1 ASP A 213 31.574 -10.434 4.509 1.00 28.92 O ATOM 1624 OD2 ASP A 213 29.440 -10.931 4.497 1.00 26.62 O ATOM 1625 H ASP A 213 29.853 -10.819 8.134 1.00 0.00 H ATOM 1626 N ALA A 214 30.907 -8.373 9.365 1.00 19.52 N ATOM 1627 CA ALA A 214 30.652 -7.291 10.298 1.00 18.45 C ATOM 1628 C ALA A 214 31.946 -6.694 10.831 1.00 18.63 C ATOM 1629 O ALA A 214 33.015 -7.311 10.790 1.00 21.83 O ATOM 1630 CB ALA A 214 29.832 -7.801 11.478 1.00 20.06 C ATOM 1631 H ALA A 214 30.953 -9.346 9.730 1.00 0.00 H ATOM 1632 N ASP A 215 31.834 -5.474 11.345 1.00 18.98 N ATOM 1633 CA ASP A 215 32.922 -4.775 12.026 1.00 19.04 C ATOM 1634 C ASP A 215 32.442 -4.538 13.453 1.00 19.91 C ATOM 1635 O ASP A 215 31.820 -3.517 13.757 1.00 19.48 O ATOM 1636 CB ASP A 215 33.236 -3.478 11.317 1.00 20.29 C ATOM 1637 CG ASP A 215 34.468 -2.796 11.859 1.00 27.62 C ATOM 1638 OD1 ASP A 215 34.824 -3.050 13.028 1.00 23.71 O ATOM 1639 OD2 ASP A 215 35.050 -1.986 11.107 1.00 28.69 O ATOM 1640 H ASP A 215 30.919 -4.988 11.258 1.00 0.00 H ATOM 1641 N LEU A 216 32.720 -5.497 14.338 1.00 23.91 N ATOM 1642 CA LEU A 216 32.189 -5.414 15.689 1.00 23.38 C ATOM 1643 C LEU A 216 32.820 -4.273 16.474 1.00 24.76 C ATOM 1644 O LEU A 216 32.187 -3.728 17.385 1.00 27.90 O ATOM 1645 CB LEU A 216 32.414 -6.741 16.412 1.00 28.96 C ATOM 1646 CG LEU A 216 31.643 -7.937 15.849 1.00 26.85 C ATOM 1647 CD1 LEU A 216 32.054 -9.198 16.595 1.00 34.91 C ATOM 1648 CD2 LEU A 216 30.140 -7.738 15.922 1.00 30.18 C ATOM 1649 H LEU A 216 33.316 -6.303 14.062 1.00 0.00 H ATOM 1650 N ALA A 217 34.062 -3.912 16.150 1.00 25.68 N ATOM 1651 CA ALA A 217 34.720 -2.813 16.846 1.00 27.55 C ATOM 1652 C ALA A 217 34.087 -1.472 16.489 1.00 25.05 C ATOM 1653 O ALA A 217 33.950 -0.600 17.354 1.00 26.49 O ATOM 1654 CB ALA A 217 36.216 -2.805 16.522 1.00 28.77 C ATOM 1655 H ALA A 217 34.566 -4.419 15.394 1.00 0.00 H ATOM 1656 N GLU A 218 33.697 -1.288 15.228 1.00 21.57 N ATOM 1657 CA GLU A 218 33.137 -0.022 14.781 1.00 19.17 C ATOM 1658 C GLU A 218 31.636 0.062 14.983 1.00 17.93 C ATOM 1659 O GLU A 218 31.095 1.173 15.089 1.00 18.07 O ATOM 1660 CB GLU A 218 33.446 0.185 13.302 1.00 20.56 C ATOM 1661 CG GLU A 218 33.143 1.585 12.793 1.00 27.98 C ATOM 1662 CD GLU A 218 33.962 2.670 13.491 1.00 27.77 C ATOM 1663 OE1 GLU A 218 34.991 2.347 14.091 1.00 31.30 O ATOM 1664 OE2 GLU A 218 33.560 3.851 13.425 1.00 38.09 O ATOM 1665 H GLU A 218 33.795 -2.068 14.547 1.00 0.00 H ATOM 1666 N TRP A 219 30.951 -1.074 15.043 1.00 17.23 N ATOM 1667 CA TRP A 219 29.489 -1.058 15.035 1.00 16.02 C ATOM 1668 C TRP A 219 28.904 -0.171 16.126 1.00 16.55 C ATOM 1669 O TRP A 219 27.993 0.614 15.830 1.00 16.15 O ATOM 1670 CB TRP A 219 29.004 -2.513 15.058 1.00 16.44 C ATOM 1671 CG TRP A 219 27.559 -2.781 14.751 1.00 14.82 C ATOM 1672 CD1 TRP A 219 26.501 -1.920 14.813 1.00 15.36 C ATOM 1673 CD2 TRP A 219 27.025 -4.043 14.341 1.00 15.13 C ATOM 1674 NE1 TRP A 219 25.340 -2.574 14.454 1.00 15.06 N ATOM 1675 CE2 TRP A 219 25.639 -3.877 14.165 1.00 14.99 C ATOM 1676 CE3 TRP A 219 27.585 -5.297 14.101 1.00 16.15 C ATOM 1677 CZ2 TRP A 219 24.815 -4.912 13.759 1.00 16.05 C ATOM 1678 CZ3 TRP A 219 26.763 -6.323 13.710 1.00 17.26 C ATOM 1679 CH2 TRP A 219 25.390 -6.128 13.549 1.00 17.29 C ATOM 1680 HE1 TRP A 219 24.393 -2.146 14.410 1.00 0.00 H ATOM 1681 H TRP A 219 31.458 -1.981 15.096 1.00 0.00 H ATOM 1682 N PRO A 220 29.363 -0.213 17.372 1.00 17.27 N ATOM 1683 CA PRO A 220 28.774 0.704 18.370 1.00 18.39 C ATOM 1684 C PRO A 220 28.937 2.179 18.012 1.00 18.47 C ATOM 1685 O PRO A 220 28.044 2.994 18.294 1.00 19.74 O ATOM 1686 CB PRO A 220 29.490 0.319 19.676 1.00 20.81 C ATOM 1687 CG PRO A 220 29.946 -1.092 19.447 1.00 21.95 C ATOM 1688 CD PRO A 220 30.327 -1.139 17.994 1.00 19.23 C ATOM 1689 N THR A 221 30.078 2.552 17.418 1.00 17.69 N ATOM 1690 CA THR A 221 30.283 3.932 16.993 1.00 18.10 C ATOM 1691 C THR A 221 29.334 4.295 15.860 1.00 16.58 C ATOM 1692 O THR A 221 28.789 5.401 15.836 1.00 17.04 O ATOM 1693 CB THR A 221 31.739 4.108 16.563 1.00 19.19 C ATOM 1694 OG1 THR A 221 32.592 3.785 17.670 1.00 23.06 O ATOM 1695 CG2 THR A 221 32.015 5.541 16.104 1.00 22.84 C ATOM 1696 HG1 THR A 221 32.434 2.847 17.944 1.00 0.00 H ATOM 1697 H THR A 221 30.827 1.849 17.258 1.00 0.00 H ATOM 1698 N SER A 222 29.131 3.373 14.919 1.00 15.14 N ATOM 1699 CA SER A 222 28.175 3.611 13.841 1.00 15.12 C ATOM 1700 C SER A 222 26.763 3.795 14.391 1.00 14.91 C ATOM 1701 O SER A 222 26.019 4.668 13.929 1.00 15.60 O ATOM 1702 CB SER A 222 28.253 2.463 12.843 1.00 15.28 C ATOM 1703 OG SER A 222 29.561 2.405 12.329 1.00 15.41 O ATOM 1704 HG SER A 222 29.626 1.662 11.678 1.00 0.00 H ATOM 1705 H SER A 222 29.658 2.477 14.953 1.00 0.00 H ATOM 1706 N VAL A 223 26.386 3.003 15.393 1.00 15.79 N ATOM 1707 CA VAL A 223 25.094 3.194 16.046 1.00 17.11 C ATOM 1708 C VAL A 223 25.018 4.562 16.717 1.00 17.71 C ATOM 1709 O VAL A 223 23.993 5.250 16.636 1.00 18.25 O ATOM 1710 CB VAL A 223 24.815 2.044 17.037 1.00 21.77 C ATOM 1711 CG1 VAL A 223 23.694 2.408 18.024 1.00 27.28 C ATOM 1712 CG2 VAL A 223 24.444 0.797 16.260 1.00 25.58 C ATOM 1713 H VAL A 223 27.018 2.241 15.713 1.00 0.00 H ATOM 1714 N GLU A 224 26.088 4.975 17.395 1.00 17.86 N ATOM 1715 CA GLU A 224 26.090 6.298 18.003 1.00 20.09 C ATOM 1716 C GLU A 224 25.889 7.390 16.961 1.00 18.25 C ATOM 1717 O GLU A 224 25.213 8.392 17.225 1.00 19.42 O ATOM 1718 CB GLU A 224 27.400 6.509 18.753 1.00 22.99 C ATOM 1719 CG GLU A 224 27.485 7.814 19.523 1.00 27.94 C ATOM 1720 CD GLU A 224 28.804 7.959 20.255 1.00 42.33 C ATOM 1721 OE1 GLU A 224 29.656 7.053 20.137 1.00 50.90 O ATOM 1722 OE2 GLU A 224 28.991 8.981 20.947 1.00 68.85 O ATOM 1723 H GLU A 224 26.918 4.355 17.490 1.00 0.00 H ATOM 1724 N ARG A 225 26.489 7.229 15.775 1.00 17.60 N ATOM 1725 CA ARG A 225 26.270 8.203 14.707 1.00 17.39 C ATOM 1726 C ARG A 225 24.790 8.279 14.344 1.00 16.28 C ATOM 1727 O ARG A 225 24.252 9.371 14.130 1.00 17.55 O ATOM 1728 CB ARG A 225 27.089 7.853 13.461 1.00 17.89 C ATOM 1729 CG ARG A 225 28.572 8.024 13.568 1.00 24.47 C ATOM 1730 CD ARG A 225 29.253 8.135 12.186 1.00 21.19 C ATOM 1731 NE ARG A 225 30.688 8.160 12.389 1.00 24.08 N ATOM 1732 CZ ARG A 225 31.442 7.076 12.508 1.00 24.99 C ATOM 1733 NH1 ARG A 225 30.910 5.874 12.395 1.00 27.38 N ATOM 1734 NH2 ARG A 225 32.742 7.190 12.721 1.00 34.20 N ATOM 1735 HE ARG A 225 31.156 9.087 12.445 1.00 0.00 H ATOM 1736 HH12 ARG A 225 31.509 5.029 12.490 1.00 0.00 H ATOM 1737 HH11 ARG A 225 29.892 5.771 12.211 1.00 0.00 H ATOM 1738 HH22 ARG A 225 33.330 6.338 12.814 1.00 0.00 H ATOM 1739 HH21 ARG A 225 33.176 8.132 12.796 1.00 0.00 H ATOM 1740 H ARG A 225 27.111 6.411 15.614 1.00 0.00 H ATOM 1741 N ILE A 226 24.125 7.124 14.240 1.00 15.86 N ATOM 1742 CA ILE A 226 22.691 7.113 13.973 1.00 15.37 C ATOM 1743 C ILE A 226 21.941 7.829 15.082 1.00 18.16 C ATOM 1744 O ILE A 226 21.055 8.646 14.823 1.00 19.21 O ATOM 1745 CB ILE A 226 22.173 5.675 13.794 1.00 16.53 C ATOM 1746 CG1 ILE A 226 22.864 4.949 12.635 1.00 15.23 C ATOM 1747 CG2 ILE A 226 20.661 5.690 13.597 1.00 17.34 C ATOM 1748 CD1 ILE A 226 22.588 3.466 12.623 1.00 17.03 C ATOM 1749 H ILE A 226 24.635 6.224 14.351 1.00 0.00 H ATOM 1750 N GLN A 227 22.259 7.495 16.334 1.00 17.99 N ATOM 1751 CA GLN A 227 21.591 8.120 17.478 1.00 19.90 C ATOM 1752 C GLN A 227 21.708 9.638 17.420 1.00 20.84 C ATOM 1753 O GLN A 227 20.731 10.359 17.664 1.00 23.93 O ATOM 1754 CB GLN A 227 22.199 7.600 18.788 1.00 21.07 C ATOM 1755 CG GLN A 227 21.846 6.142 19.108 1.00 22.12 C ATOM 1756 CD GLN A 227 22.596 5.586 20.308 1.00 24.46 C ATOM 1757 OE1 GLN A 227 23.805 5.766 20.445 1.00 26.34 O ATOM 1758 NE2 GLN A 227 21.872 4.901 21.195 1.00 25.38 N ATOM 1759 HE22 GLN A 227 20.851 4.770 21.043 1.00 0.00 H ATOM 1760 HE21 GLN A 227 22.328 4.498 22.038 1.00 0.00 H ATOM 1761 H GLN A 227 22.994 6.778 16.501 1.00 0.00 H ATOM 1762 N LYS A 228 22.897 10.138 17.085 1.00 20.05 N ATOM 1763 CA LYS A 228 23.146 11.571 17.093 1.00 23.52 C ATOM 1764 C LYS A 228 22.498 12.264 15.904 1.00 21.14 C ATOM 1765 O LYS A 228 22.129 13.437 15.994 1.00 23.29 O ATOM 1766 CB LYS A 228 24.651 11.801 17.088 1.00 23.23 C ATOM 1767 CG LYS A 228 25.296 11.538 18.437 1.00 39.02 C ATOM 1768 CD LYS A 228 26.817 11.542 18.350 1.00 41.55 C ATOM 1769 H LYS A 228 23.663 9.490 16.812 1.00 0.00 H ATOM 1770 N HIS A 229 22.352 11.563 14.789 1.00 19.38 N ATOM 1771 CA HIS A 229 21.839 12.186 13.580 1.00 19.76 C ATOM 1772 C HIS A 229 20.319 12.186 13.535 1.00 18.89 C ATOM 1773 O HIS A 229 19.741 13.072 12.896 1.00 22.82 O ATOM 1774 CB HIS A 229 22.401 11.468 12.350 1.00 20.94 C ATOM 1775 CG HIS A 229 22.478 12.322 11.129 1.00 29.02 C ATOM 1776 ND1 HIS A 229 21.484 12.360 10.175 1.00 56.13 N ATOM 1777 CD2 HIS A 229 23.453 13.154 10.688 1.00 34.56 C ATOM 1778 CE1 HIS A 229 21.838 13.185 9.205 1.00 35.13 C ATOM 1779 NE2 HIS A 229 23.027 13.683 9.494 1.00 58.70 N ATOM 1780 H HIS A 229 22.608 10.555 14.779 1.00 0.00 H ATOM 1781 N TYR A 230 19.661 11.238 14.210 1.00 18.92 N ATOM 1782 CA TYR A 230 18.203 11.083 14.149 1.00 18.92 C ATOM 1783 C TYR A 230 17.596 11.014 15.546 1.00 19.49 C ATOM 1784 O TYR A 230 16.894 10.060 15.893 1.00 21.02 O ATOM 1785 CB TYR A 230 17.843 9.843 13.337 1.00 19.93 C ATOM 1786 CG TYR A 230 18.313 9.921 11.914 1.00 18.05 C ATOM 1787 CD1 TYR A 230 17.758 10.828 11.032 1.00 19.25 C ATOM 1788 CD2 TYR A 230 19.329 9.097 11.457 1.00 23.89 C ATOM 1789 CE1 TYR A 230 18.190 10.917 9.737 1.00 19.52 C ATOM 1790 CE2 TYR A 230 19.764 9.167 10.157 1.00 23.10 C ATOM 1791 CZ TYR A 230 19.196 10.082 9.302 1.00 23.28 C ATOM 1792 OH TYR A 230 19.638 10.152 8.001 1.00 28.94 O ATOM 1793 HH TYR A 230 19.133 10.854 7.520 1.00 0.00 H ATOM 1794 H TYR A 230 20.206 10.582 14.804 1.00 0.00 H ATOM 1795 N PRO A 231 17.823 12.038 16.366 1.00 22.06 N ATOM 1796 CA PRO A 231 17.287 12.021 17.736 1.00 22.50 C ATOM 1797 C PRO A 231 15.773 12.129 17.805 1.00 23.02 C ATOM 1798 O PRO A 231 15.197 11.850 18.865 1.00 26.43 O ATOM 1799 CB PRO A 231 17.970 13.228 18.384 1.00 24.66 C ATOM 1800 CG PRO A 231 18.203 14.165 17.236 1.00 23.26 C ATOM 1801 CD PRO A 231 18.554 13.280 16.071 1.00 21.79 C ATOM 1802 N GLU A 232 15.113 12.530 16.722 1.00 22.46 N ATOM 1803 CA GLU A 232 13.664 12.690 16.699 1.00 23.36 C ATOM 1804 C GLU A 232 12.936 11.482 16.118 1.00 21.24 C ATOM 1805 O GLU A 232 11.719 11.542 15.918 1.00 21.59 O ATOM 1806 CB GLU A 232 13.288 13.933 15.894 1.00 27.08 C ATOM 1807 H GLU A 232 15.652 12.738 15.857 1.00 0.00 H ATOM 1808 N ALA A 233 13.640 10.392 15.834 1.00 20.32 N ATOM 1809 CA ALA A 233 12.981 9.215 15.291 1.00 19.00 C ATOM 1810 C ALA A 233 11.944 8.698 16.278 1.00 19.22 C ATOM 1811 O ALA A 233 12.212 8.589 17.481 1.00 22.56 O ATOM 1812 CB ALA A 233 14.009 8.127 15.013 1.00 19.11 C ATOM 1813 H ALA A 233 14.666 10.380 16.001 1.00 0.00 H ATOM 1814 N GLU A 234 10.753 8.409 15.775 1.00 18.93 N ATOM 1815 CA GLU A 234 9.651 7.895 16.578 1.00 21.13 C ATOM 1816 C GLU A 234 9.476 6.394 16.461 1.00 20.82 C ATOM 1817 O GLU A 234 8.915 5.771 17.368 1.00 24.67 O ATOM 1818 CB GLU A 234 8.355 8.575 16.144 1.00 22.30 C ATOM 1819 CG GLU A 234 8.371 10.063 16.426 1.00 32.95 C ATOM 1820 CD GLU A 234 7.133 10.775 15.925 1.00 39.30 C ATOM 1821 OE1 GLU A 234 6.154 10.093 15.559 1.00 50.97 O ATOM 1822 OE2 GLU A 234 7.148 12.023 15.893 1.00 50.74 O ATOM 1823 H GLU A 234 10.597 8.556 14.757 1.00 0.00 H ATOM 1824 N VAL A 235 9.875 5.813 15.346 1.00 18.33 N ATOM 1825 CA VAL A 235 9.810 4.379 15.130 1.00 17.67 C ATOM 1826 C VAL A 235 11.145 3.978 14.537 1.00 15.86 C ATOM 1827 O VAL A 235 11.678 4.688 13.676 1.00 16.91 O ATOM 1828 CB VAL A 235 8.670 4.013 14.157 1.00 20.17 C ATOM 1829 CG1 VAL A 235 8.672 2.506 13.859 1.00 22.12 C ATOM 1830 CG2 VAL A 235 7.331 4.465 14.706 1.00 25.63 C ATOM 1831 H VAL A 235 10.255 6.411 14.585 1.00 0.00 H ATOM 1832 N VAL A 236 11.696 2.865 15.007 1.00 14.85 N ATOM 1833 CA VAL A 236 12.929 2.294 14.485 1.00 14.91 C ATOM 1834 C VAL A 236 12.606 0.879 14.023 1.00 13.27 C ATOM 1835 O VAL A 236 12.073 0.068 14.797 1.00 14.18 O ATOM 1836 CB VAL A 236 14.037 2.286 15.549 1.00 15.69 C ATOM 1837 CG1 VAL A 236 15.299 1.656 14.995 1.00 15.67 C ATOM 1838 CG2 VAL A 236 14.317 3.707 16.040 1.00 17.01 C ATOM 1839 H VAL A 236 11.221 2.374 15.791 1.00 0.00 H ATOM 1840 N ILE A 237 12.921 0.585 12.770 1.00 13.39 N ATOM 1841 CA ILE A 237 12.624 -0.700 12.149 1.00 12.71 C ATOM 1842 C ILE A 237 13.940 -1.435 11.937 1.00 12.81 C ATOM 1843 O ILE A 237 14.815 -0.928 11.210 1.00 13.96 O ATOM 1844 CB ILE A 237 11.890 -0.521 10.815 1.00 13.30 C ATOM 1845 CG1 ILE A 237 10.606 0.282 11.028 1.00 14.15 C ATOM 1846 CG2 ILE A 237 11.616 -1.885 10.181 1.00 13.43 C ATOM 1847 CD1 ILE A 237 10.010 0.787 9.755 1.00 15.63 C ATOM 1848 H ILE A 237 13.405 1.308 12.200 1.00 0.00 H ATOM 1849 N PRO A 238 14.120 -2.623 12.514 1.00 12.29 N ATOM 1850 CA PRO A 238 15.343 -3.400 12.287 1.00 13.22 C ATOM 1851 C PRO A 238 15.233 -4.177 10.979 1.00 12.39 C ATOM 1852 O PRO A 238 14.162 -4.300 10.403 1.00 13.23 O ATOM 1853 CB PRO A 238 15.344 -4.371 13.471 1.00 13.19 C ATOM 1854 CG PRO A 238 13.892 -4.646 13.694 1.00 13.38 C ATOM 1855 CD PRO A 238 13.164 -3.351 13.376 1.00 13.56 C ATOM 1856 N GLY A 239 16.360 -4.736 10.523 1.00 13.16 N ATOM 1857 CA GLY A 239 16.338 -5.567 9.330 1.00 14.00 C ATOM 1858 C GLY A 239 15.543 -6.842 9.496 1.00 11.91 C ATOM 1859 O GLY A 239 15.028 -7.383 8.515 1.00 12.68 O ATOM 1860 H GLY A 239 17.257 -4.575 11.025 1.00 0.00 H ATOM 1861 N HIS A 240 15.475 -7.355 10.717 1.00 12.41 N ATOM 1862 CA HIS A 240 14.760 -8.585 11.036 1.00 12.83 C ATOM 1863 C HIS A 240 14.067 -8.403 12.376 1.00 12.76 C ATOM 1864 O HIS A 240 14.694 -7.980 13.349 1.00 14.11 O ATOM 1865 CB HIS A 240 15.741 -9.768 11.152 1.00 13.56 C ATOM 1866 CG HIS A 240 16.625 -9.940 9.955 1.00 12.76 C ATOM 1867 ND1 HIS A 240 16.247 -10.684 8.864 1.00 12.85 N ATOM 1868 CD2 HIS A 240 17.876 -9.498 9.685 1.00 14.43 C ATOM 1869 CE1 HIS A 240 17.208 -10.658 7.956 1.00 14.51 C ATOM 1870 NE2 HIS A 240 18.208 -9.941 8.425 1.00 15.60 N ATOM 1871 H HIS A 240 15.958 -6.853 11.489 1.00 0.00 H ATOM 1872 N GLY A 241 12.774 -8.691 12.438 1.00 13.52 N ATOM 1873 CA GLY A 241 12.041 -8.646 13.703 1.00 15.35 C ATOM 1874 C GLY A 241 11.218 -7.382 13.903 1.00 13.94 C ATOM 1875 O GLY A 241 10.997 -6.590 12.984 1.00 13.53 O ATOM 1876 H GLY A 241 12.270 -8.955 11.568 1.00 0.00 H ATOM 1877 N LEU A 242 10.756 -7.210 15.109 1.00 13.73 N ATOM 1878 CA LEU A 242 9.734 -6.208 15.397 1.00 14.15 C ATOM 1879 C LEU A 242 10.308 -4.787 15.429 1.00 14.57 C ATOM 1880 O LEU A 242 11.373 -4.549 16.022 1.00 14.40 O ATOM 1881 CB LEU A 242 9.087 -6.483 16.757 1.00 16.34 C ATOM 1882 CG LEU A 242 7.759 -7.244 16.764 1.00 21.58 C ATOM 1883 CD1 LEU A 242 7.756 -8.511 15.953 1.00 21.96 C ATOM 1884 CD2 LEU A 242 7.376 -7.541 18.207 1.00 24.09 C ATOM 1885 H LEU A 242 11.123 -7.799 15.883 1.00 0.00 H ATOM 1886 N PRO A 243 9.593 -3.816 14.864 1.00 14.32 N ATOM 1887 CA PRO A 243 9.922 -2.408 15.111 1.00 14.28 C ATOM 1888 C PRO A 243 9.704 -2.038 16.572 1.00 14.79 C ATOM 1889 O PRO A 243 8.937 -2.671 17.293 1.00 16.28 O ATOM 1890 CB PRO A 243 8.923 -1.653 14.221 1.00 16.24 C ATOM 1891 CG PRO A 243 8.444 -2.654 13.203 1.00 17.89 C ATOM 1892 CD PRO A 243 8.439 -3.954 13.955 1.00 16.43 C ATOM 1893 N GLY A 244 10.343 -0.956 16.978 1.00 14.46 N ATOM 1894 CA GLY A 244 10.154 -0.396 18.301 1.00 15.91 C ATOM 1895 C GLY A 244 10.500 1.059 18.268 1.00 16.26 C ATOM 1896 O GLY A 244 10.367 1.723 17.243 1.00 16.67 O ATOM 1897 H GLY A 244 11.005 -0.490 16.325 1.00 0.00 H ATOM 1898 N GLY A 245 10.953 1.563 19.415 1.00 18.86 N ATOM 1899 CA GLY A 245 11.418 2.928 19.526 1.00 21.57 C ATOM 1900 C GLY A 245 12.930 3.030 19.480 1.00 18.88 C ATOM 1901 O GLY A 245 13.637 2.123 19.032 1.00 17.63 O ATOM 1902 H GLY A 245 10.973 0.955 20.258 1.00 0.00 H ATOM 1903 N LEU A 246 13.437 4.159 19.983 1.00 19.16 N ATOM 1904 CA LEU A 246 14.871 4.409 19.984 1.00 18.72 C ATOM 1905 C LEU A 246 15.662 3.386 20.784 1.00 17.15 C ATOM 1906 O LEU A 246 16.872 3.260 20.553 1.00 18.71 O ATOM 1907 CB LEU A 246 15.156 5.797 20.544 1.00 21.09 C ATOM 1908 CG LEU A 246 14.785 6.956 19.624 1.00 25.36 C ATOM 1909 CD1 LEU A 246 14.922 8.276 20.365 1.00 35.25 C ATOM 1910 CD2 LEU A 246 15.663 6.967 18.383 1.00 26.13 C ATOM 1911 H LEU A 246 12.795 4.873 20.382 1.00 0.00 H ATOM 1912 N ASP A 247 15.035 2.659 21.710 1.00 18.42 N ATOM 1913 CA ASP A 247 15.753 1.639 22.469 1.00 19.22 C ATOM 1914 C ASP A 247 16.470 0.642 21.561 1.00 15.97 C ATOM 1915 O ASP A 247 17.465 0.042 21.978 1.00 16.52 O ATOM 1916 CB ASP A 247 14.788 0.848 23.373 1.00 20.16 C ATOM 1917 CG ASP A 247 14.372 1.579 24.637 1.00 30.33 C ATOM 1918 OD1 ASP A 247 14.884 2.672 24.949 1.00 25.24 O ATOM 1919 OD2 ASP A 247 13.504 1.018 25.345 1.00 36.38 O ATOM 1920 H ASP A 247 14.024 2.820 21.893 1.00 0.00 H ATOM 1921 N LEU A 248 15.961 0.401 20.341 1.00 15.00 N ATOM 1922 CA LEU A 248 16.622 -0.581 19.481 1.00 14.65 C ATOM 1923 C LEU A 248 18.055 -0.177 19.182 1.00 13.50 C ATOM 1924 O LEU A 248 18.919 -1.043 19.000 1.00 13.67 O ATOM 1925 CB LEU A 248 15.878 -0.809 18.158 1.00 14.40 C ATOM 1926 CG LEU A 248 14.701 -1.777 18.179 1.00 14.14 C ATOM 1927 CD1 LEU A 248 13.502 -1.213 18.925 1.00 16.25 C ATOM 1928 CD2 LEU A 248 14.309 -2.138 16.751 1.00 15.84 C ATOM 1929 H LEU A 248 15.112 0.904 20.014 1.00 0.00 H ATOM 1930 N LEU A 249 18.336 1.125 19.111 1.00 14.47 N ATOM 1931 CA LEU A 249 19.700 1.553 18.809 1.00 14.44 C ATOM 1932 C LEU A 249 20.653 1.183 19.938 1.00 14.15 C ATOM 1933 O LEU A 249 21.684 0.549 19.713 1.00 14.03 O ATOM 1934 CB LEU A 249 19.732 3.052 18.513 1.00 15.56 C ATOM 1935 CG LEU A 249 18.842 3.515 17.344 1.00 16.49 C ATOM 1936 CD1 LEU A 249 18.958 5.021 17.154 1.00 18.15 C ATOM 1937 CD2 LEU A 249 19.179 2.780 16.046 1.00 16.10 C ATOM 1938 H LEU A 249 17.589 1.831 19.270 1.00 0.00 H ATOM 1939 N GLN A 250 20.350 1.601 21.165 1.00 14.82 N ATOM 1940 CA GLN A 250 21.231 1.247 22.275 1.00 14.00 C ATOM 1941 C GLN A 250 21.305 -0.258 22.460 1.00 14.04 C ATOM 1942 O GLN A 250 22.380 -0.796 22.749 1.00 14.60 O ATOM 1943 CB GLN A 250 20.800 1.937 23.564 1.00 16.77 C ATOM 1944 CG GLN A 250 21.789 1.719 24.689 1.00 17.56 C ATOM 1945 CD GLN A 250 23.145 2.295 24.343 1.00 19.89 C ATOM 1946 OE1 GLN A 250 23.237 3.446 23.894 1.00 24.03 O ATOM 1947 NE2 GLN A 250 24.197 1.504 24.515 1.00 21.12 N ATOM 1948 HE22 GLN A 250 24.070 0.545 24.896 1.00 0.00 H ATOM 1949 HE21 GLN A 250 25.149 1.844 24.269 1.00 0.00 H ATOM 1950 H GLN A 250 19.497 2.172 21.331 1.00 0.00 H ATOM 1951 N HIS A 251 20.174 -0.950 22.319 1.00 14.05 N ATOM 1952 CA HIS A 251 20.187 -2.400 22.430 1.00 13.70 C ATOM 1953 C HIS A 251 21.179 -3.005 21.448 1.00 14.11 C ATOM 1954 O HIS A 251 21.923 -3.935 21.787 1.00 14.15 O ATOM 1955 CB HIS A 251 18.792 -2.966 22.191 1.00 14.83 C ATOM 1956 CG HIS A 251 18.742 -4.450 22.277 1.00 14.93 C ATOM 1957 ND1 HIS A 251 19.024 -5.139 23.436 1.00 15.85 N ATOM 1958 CD2 HIS A 251 18.511 -5.386 21.320 1.00 15.53 C ATOM 1959 CE1 HIS A 251 18.924 -6.436 23.194 1.00 16.63 C ATOM 1960 NE2 HIS A 251 18.618 -6.608 21.920 1.00 17.27 N ATOM 1961 H HIS A 251 19.281 -0.452 22.129 1.00 0.00 H ATOM 1962 N THR A 252 21.182 -2.505 20.208 1.00 13.10 N ATOM 1963 CA THR A 252 22.107 -3.029 19.211 1.00 13.42 C ATOM 1964 C THR A 252 23.549 -2.878 19.671 1.00 12.57 C ATOM 1965 O THR A 252 24.344 -3.820 19.592 1.00 13.68 O ATOM 1966 CB THR A 252 21.896 -2.294 17.884 1.00 13.95 C ATOM 1967 OG1 THR A 252 20.569 -2.543 17.381 1.00 13.83 O ATOM 1968 CG2 THR A 252 22.911 -2.757 16.850 1.00 14.38 C ATOM 1969 HG1 THR A 252 19.902 -2.222 18.039 1.00 0.00 H ATOM 1970 H THR A 252 20.523 -1.741 19.955 1.00 0.00 H ATOM 1971 N ALA A 253 23.915 -1.673 20.109 1.00 13.38 N ATOM 1972 CA ALA A 253 25.275 -1.461 20.578 1.00 14.24 C ATOM 1973 C ALA A 253 25.610 -2.419 21.711 1.00 13.87 C ATOM 1974 O ALA A 253 26.718 -2.960 21.768 1.00 14.87 O ATOM 1975 CB ALA A 253 25.460 -0.016 21.035 1.00 15.82 C ATOM 1976 H ALA A 253 23.232 -0.889 20.115 1.00 0.00 H ATOM 1977 N ASN A 254 24.657 -2.654 22.619 1.00 14.14 N ATOM 1978 CA ASN A 254 24.888 -3.551 23.751 1.00 14.61 C ATOM 1979 C ASN A 254 25.126 -4.986 23.296 1.00 16.81 C ATOM 1980 O ASN A 254 26.030 -5.660 23.793 1.00 17.29 O ATOM 1981 CB ASN A 254 23.689 -3.515 24.702 1.00 15.26 C ATOM 1982 CG ASN A 254 23.487 -2.170 25.370 1.00 15.04 C ATOM 1983 OD1 ASN A 254 24.389 -1.328 25.421 1.00 17.10 O ATOM 1984 ND2 ASN A 254 22.283 -1.960 25.888 1.00 16.90 N ATOM 1985 HD22 ASN A 254 21.553 -2.698 25.822 1.00 0.00 H ATOM 1986 HD21 ASN A 254 22.070 -1.058 26.360 1.00 0.00 H ATOM 1987 H ASN A 254 23.732 -2.189 22.518 1.00 0.00 H ATOM 1988 N VAL A 255 24.291 -5.484 22.383 1.00 15.02 N ATOM 1989 CA VAL A 255 24.413 -6.864 21.919 1.00 15.48 C ATOM 1990 C VAL A 255 25.753 -7.070 21.239 1.00 16.49 C ATOM 1991 O VAL A 255 26.438 -8.074 21.470 1.00 18.41 O ATOM 1992 CB VAL A 255 23.242 -7.224 20.982 1.00 18.11 C ATOM 1993 CG1 VAL A 255 23.481 -8.556 20.274 1.00 19.22 C ATOM 1994 CG2 VAL A 255 21.923 -7.262 21.750 1.00 20.44 C ATOM 1995 H VAL A 255 23.540 -4.879 21.994 1.00 0.00 H ATOM 1996 N VAL A 256 26.121 -6.139 20.355 1.00 16.04 N ATOM 1997 CA VAL A 256 27.339 -6.315 19.589 1.00 17.93 C ATOM 1998 C VAL A 256 28.563 -6.167 20.479 1.00 19.55 C ATOM 1999 O VAL A 256 29.557 -6.877 20.291 1.00 23.45 O ATOM 2000 CB VAL A 256 27.351 -5.416 18.328 1.00 19.95 C ATOM 2001 CG1 VAL A 256 26.108 -5.637 17.487 1.00 19.67 C ATOM 2002 CG2 VAL A 256 27.504 -3.962 18.656 1.00 26.61 C ATOM 2003 H VAL A 256 25.536 -5.291 20.217 1.00 0.00 H ATOM 2004 N THR A 257 28.507 -5.295 21.487 1.00 19.23 N ATOM 2005 CA THR A 257 29.619 -5.184 22.422 1.00 23.11 C ATOM 2006 C THR A 257 29.720 -6.427 23.295 1.00 21.54 C ATOM 2007 O THR A 257 30.826 -6.933 23.533 1.00 26.25 O ATOM 2008 CB THR A 257 29.479 -3.918 23.263 1.00 20.27 C ATOM 2009 OG1 THR A 257 29.524 -2.774 22.400 1.00 24.74 O ATOM 2010 CG2 THR A 257 30.611 -3.815 24.271 1.00 26.76 C ATOM 2011 HG1 THR A 257 29.434 -1.950 22.941 1.00 0.00 H ATOM 2012 H THR A 257 27.667 -4.693 21.606 1.00 0.00 H ATOM 2013 N ALA A 258 28.586 -6.948 23.772 1.00 21.41 N ATOM 2014 CA ALA A 258 28.620 -8.176 24.564 1.00 25.08 C ATOM 2015 C ALA A 258 29.170 -9.337 23.745 1.00 27.70 C ATOM 2016 O ALA A 258 29.951 -10.147 24.251 1.00 28.80 O ATOM 2017 CB ALA A 258 27.224 -8.506 25.089 1.00 25.73 C ATOM 2018 H ALA A 258 27.678 -6.479 23.580 1.00 0.00 H ATOM 2019 N HIS A 259 28.764 -9.437 22.479 1.00 27.19 N ATOM 2020 CA HIS A 259 29.305 -10.463 21.593 1.00 30.80 C ATOM 2021 C HIS A 259 30.816 -10.337 21.487 1.00 36.83 C ATOM 2022 O HIS A 259 31.555 -11.298 21.739 1.00 34.76 O ATOM 2023 CB HIS A 259 28.660 -10.319 20.213 1.00 43.03 C ATOM 2024 CG HIS A 259 29.044 -11.390 19.239 1.00 42.70 C ATOM 2025 ND1 HIS A 259 30.349 -11.635 18.868 1.00 48.90 N ATOM 2026 CD2 HIS A 259 28.284 -12.263 18.537 1.00 43.74 C ATOM 2027 CE1 HIS A 259 30.378 -12.625 17.992 1.00 39.23 C ATOM 2028 NE2 HIS A 259 29.137 -13.021 17.772 1.00 41.89 N ATOM 2029 H HIS A 259 28.050 -8.773 22.117 1.00 0.00 H ATOM 2030 N LYS A 260 31.295 -9.148 21.113 1.00 34.48 N ATOM 2031 CA LYS A 260 32.732 -8.923 21.011 1.00 40.25 C ATOM 2032 C LYS A 260 33.442 -9.289 22.309 1.00 35.95 C ATOM 2033 O LYS A 260 34.480 -9.961 22.288 1.00 42.40 O ATOM 2034 CB LYS A 260 32.995 -7.463 20.637 1.00 36.23 C ATOM 2035 H LYS A 260 30.636 -8.374 20.892 1.00 0.00 H ATOM 2036 N ASN A 261 32.891 -8.880 23.448 1.00 39.48 N ATOM 2037 CA ASN A 261 33.521 -9.151 24.738 1.00 41.04 C ATOM 2038 C ASN A 261 33.732 -10.649 24.936 1.00 49.66 C ATOM 2039 O ASN A 261 32.775 -11.425 24.955 1.00 51.16 O ATOM 2040 CB ASN A 261 32.678 -8.591 25.888 1.00 50.69 C ATOM 2041 CG ASN A 261 32.794 -7.084 26.016 1.00 41.39 C ATOM 2042 OD1 ASN A 261 33.716 -6.476 25.474 1.00 40.03 O ATOM 2043 ND2 ASN A 261 31.862 -6.473 26.745 1.00 33.68 N ATOM 2044 HD22 ASN A 261 31.100 -7.027 27.185 1.00 0.00 H ATOM 2045 HD21 ASN A 261 31.896 -5.442 26.874 1.00 0.00 H ATOM 2046 H ASN A 261 31.993 -8.356 23.420 1.00 0.00 H TER 2047 ASN A 261 HETATM 2048 ZN ZN A 1 23.295 -8.806 5.999 1.00 13.47 ZN HETATM 2049 ZN ZN A 2 19.965 -9.560 7.272 1.00 29.97 ZN HETATM 2050 ZN ZN A 3 22.084 -17.352 15.013 1.00 66.46 ZN HETATM 2051 O HOH 4 31.755 3.944 12.559 1.00 34.50 O HETATM 2052 O HOH 5 31.560 -13.140 25.114 1.00 50.88 O HETATM 2053 O HOH 6 9.409 8.599 -6.053 1.00 32.30 O HETATM 2054 O HOH 7 29.206 -12.767 3.260 1.00 47.79 O HETATM 2055 O HOH 8 30.774 7.104 -4.151 1.00 27.67 O HETATM 2056 O HOH 9 34.972 5.665 13.558 1.00 43.96 O HETATM 2057 O HOH 10 31.930 -1.083 2.013 1.00 39.10 O HETATM 2058 O HOH 11 16.508 -24.957 4.254 1.00 47.25 O HETATM 2059 O HOH 12 -1.745 -4.632 5.214 1.00 40.74 O HETATM 2060 O HOH 13 11.832 14.547 10.778 1.00 47.71 O HETATM 2061 O HOH 14 1.752 -1.864 -7.729 1.00 22.70 O HETATM 2062 O HOH 15 32.799 1.304 18.420 1.00 32.64 O HETATM 2063 O HOH 16 33.748 12.729 5.779 1.00 42.00 O HETATM 2064 O HOH 17 21.687 -16.333 22.762 1.00 46.99 O HETATM 2065 O HOH 18 13.945 4.960 25.529 1.00 43.29 O HETATM 2066 O HOH 19 11.424 0.445 23.993 1.00 40.89 O HETATM 2067 O HOH 20 0.338 -12.127 11.940 1.00 47.93 O HETATM 2068 O HOH 21 6.002 -22.054 2.108 1.00 45.52 O HETATM 2069 O HOH 22 -5.443 -8.311 2.210 1.00 41.65 O HETATM 2070 O HOH 23 31.067 9.649 -1.266 1.00 25.03 O HETATM 2071 O HOH 24 33.490 4.947 10.395 1.00 35.16 O HETATM 2072 O HOH 25 -4.387 -4.181 -9.921 1.00 46.82 O HETATM 2073 O HOH 26 -2.665 -10.548 1.516 1.00 46.55 O HETATM 2074 O HOH 27 17.054 -27.237 10.078 1.00 31.72 O HETATM 2075 O HOH 28 19.827 -15.716 -4.663 1.00 46.64 O HETATM 2076 O HOH 29 27.243 1.671 1.041 1.00 18.91 O HETATM 2077 O HOH 30 27.075 -16.271 -0.273 1.00 51.79 O HETATM 2078 O HOH 31 33.055 -4.862 -9.165 1.00 46.64 O HETATM 2079 O HOH 32 -3.202 -8.162 15.958 1.00 44.78 O HETATM 2080 O HOH 33 1.857 -11.250 15.354 1.00 35.10 O HETATM 2081 O HOH 34 -0.530 -17.354 5.330 1.00 47.60 O HETATM 2082 O HOH 35 26.374 -11.568 -9.474 1.00 30.99 O HETATM 2083 O HOH 36 26.937 -0.801 25.022 1.00 38.05 O HETATM 2084 O HOH 37 25.894 -9.166 12.032 1.00 24.08 O HETATM 2085 O HOH 38 21.637 -1.111 7.423 1.00 16.84 O HETATM 2086 O HOH 39 23.185 4.888 -13.758 1.00 31.28 O HETATM 2087 O HOH 40 5.489 -17.125 -3.595 1.00 28.80 O HETATM 2088 O HOH 41 36.940 0.561 14.379 1.00 46.06 O HETATM 2089 O HOH 42 17.833 -13.903 -11.868 1.00 47.40 O HETATM 2090 O HOH 43 13.989 -8.975 3.230 1.00 16.76 O HETATM 2091 O HOH 44 10.737 -6.159 -18.878 1.00 33.80 O HETATM 2092 O HOH 45 25.547 -16.930 -6.636 1.00 46.31 O HETATM 2093 O HOH 46 8.076 -15.386 2.817 1.00 15.42 O HETATM 2094 O HOH 47 17.208 -8.129 14.252 1.00 14.13 O HETATM 2095 O HOH 48 3.949 10.359 6.730 1.00 33.48 O HETATM 2096 O HOH 49 36.527 0.195 11.600 1.00 49.13 O HETATM 2097 O HOH 50 -0.594 -16.292 15.369 1.00 50.20 O HETATM 2098 O HOH 51 19.947 -10.989 -14.238 1.00 39.81 O HETATM 2099 O HOH 52 18.995 6.911 -12.417 1.00 45.55 O HETATM 2100 O HOH 53 21.156 -19.913 9.906 1.00 23.46 O HETATM 2101 O HOH 54 6.265 -16.585 15.353 1.00 35.26 O HETATM 2102 O HOH 55 18.983 4.324 21.856 1.00 28.26 O HETATM 2103 O HOH 56 23.230 -25.307 9.324 1.00 23.70 O HETATM 2104 O HOH 57 20.775 -3.109 5.825 1.00 17.15 O HETATM 2105 O HOH 58 12.113 -4.960 18.598 1.00 15.29 O HETATM 2106 O HOH 59 18.291 -6.692 12.172 1.00 13.76 O HETATM 2107 O HOH 60 14.899 6.056 -11.858 1.00 31.36 O HETATM 2108 O HOH 61 27.536 -21.665 6.408 1.00 49.60 O HETATM 2109 O HOH 62 31.304 -10.502 -12.674 1.00 40.25 O HETATM 2110 O HOH 63 20.394 -18.401 14.285 1.00 25.47 O HETATM 2111 O HOH 64 15.316 -11.816 -8.747 1.00 18.39 O HETATM 2112 O HOH 65 -0.008 0.135 -10.116 1.00 41.61 O HETATM 2113 O HOH 66 4.437 -10.295 -9.029 1.00 23.50 O HETATM 2114 O HOH 67 23.087 -5.362 -12.684 1.00 24.63 O HETATM 2115 O HOH 68 31.218 11.564 0.277 1.00 41.15 O HETATM 2116 O HOH 69 -0.118 -0.589 14.326 1.00 49.70 O HETATM 2117 O HOH 70 30.920 13.901 2.159 1.00 26.89 O HETATM 2118 O HOH 71 28.801 -12.127 -9.803 1.00 40.01 O HETATM 2119 O HOH 72 23.402 -10.927 24.439 1.00 44.33 O HETATM 2120 O HOH 73 18.488 -18.644 1.284 1.00 14.85 O HETATM 2121 O HOH 74 26.972 -16.922 -4.587 1.00 43.03 O HETATM 2122 O HOH 75 22.257 15.020 18.229 1.00 37.09 O HETATM 2123 O HOH 76 11.521 3.782 -12.936 1.00 35.99 O HETATM 2124 O HOH 77 17.850 14.313 8.620 1.00 41.07 O HETATM 2125 O HOH 78 3.574 -3.835 -7.594 1.00 26.31 O HETATM 2126 O HOH 79 8.038 15.240 10.691 1.00 49.25 O HETATM 2127 O HOH 80 33.523 -6.809 -7.159 1.00 37.08 O HETATM 2128 O HOH 81 6.125 -15.702 -5.902 1.00 22.13 O HETATM 2129 O HOH 82 15.087 -13.952 22.153 1.00 39.79 O HETATM 2130 O HOH 83 12.500 -20.317 -0.431 1.00 15.89 O HETATM 2131 O HOH 84 22.397 6.009 24.460 1.00 52.32 O HETATM 2132 O HOH 85 3.936 -8.797 17.102 1.00 25.87 O HETATM 2133 O HOH 86 25.866 14.589 7.195 1.00 36.91 O HETATM 2134 O HOH 87 11.041 2.273 25.474 1.00 41.59 O HETATM 2135 O HOH 88 9.449 -20.787 11.565 1.00 47.83 O HETATM 2136 O HOH 89 -6.454 -2.392 -1.658 1.00 32.89 O HETATM 2137 O HOH 90 18.006 14.509 11.278 1.00 46.84 O HETATM 2138 O HOH 91 -0.320 -0.990 11.356 1.00 32.27 O HETATM 2139 O HOH 92 20.912 15.270 7.315 1.00 49.17 O HETATM 2140 O HOH 93 19.989 -16.273 1.135 1.00 16.79 O HETATM 2141 O HOH 94 25.791 11.621 13.595 1.00 41.81 O HETATM 2142 O HOH 95 14.424 14.098 -2.824 1.00 30.65 O HETATM 2143 O HOH 96 16.649 11.316 21.179 1.00 35.69 O HETATM 2144 O HOH 97 22.010 -9.140 -11.166 1.00 19.43 O HETATM 2145 O HOH 98 19.905 -3.802 25.716 1.00 15.47 O HETATM 2146 O HOH 99 18.871 -17.057 20.387 1.00 34.48 O HETATM 2147 O HOH 100 9.685 13.038 17.108 1.00 41.88 O HETATM 2148 O HOH 101 23.812 0.371 -0.931 1.00 15.00 O HETATM 2149 O HOH 102 21.207 -12.471 -4.984 1.00 20.79 O HETATM 2150 O HOH 103 10.676 -17.985 -1.179 1.00 20.48 O HETATM 2151 O HOH 104 28.555 6.450 -2.385 1.00 16.09 O HETATM 2152 O HOH 105 -0.392 -7.928 4.420 1.00 26.24 O HETATM 2153 O HOH 106 31.211 -6.094 4.946 1.00 21.52 O HETATM 2154 O HOH 107 9.910 -3.708 19.704 1.00 22.28 O HETATM 2155 O HOH 108 -1.711 -8.391 -7.147 1.00 29.78 O HETATM 2156 O HOH 109 -0.032 -11.781 2.738 1.00 42.95 O HETATM 2157 O HOH 110 25.699 -10.606 22.420 1.00 40.59 O HETATM 2158 O HOH 111 23.921 -16.381 16.050 1.00 31.61 O HETATM 2159 O HOH 112 22.625 -14.472 -7.611 1.00 45.26 O HETATM 2160 O HOH 113 32.962 0.891 -7.926 1.00 37.23 O HETATM 2161 O HOH 114 9.812 -9.418 -12.984 1.00 24.55 O HETATM 2162 O HOH 115 25.904 -15.244 19.663 1.00 45.70 O HETATM 2163 O HOH 116 8.916 -10.076 12.325 1.00 17.14 O HETATM 2164 O HOH 117 10.813 -9.260 10.498 1.00 14.15 O HETATM 2165 O HOH 118 25.462 -21.505 9.747 1.00 53.23 O HETATM 2166 O HOH 119 18.439 8.841 18.296 1.00 40.28 O HETATM 2167 O HOH 120 9.527 12.311 3.853 1.00 24.04 O HETATM 2168 O HOH 121 27.899 -9.741 8.409 1.00 24.44 O HETATM 2169 O HOH 122 25.832 1.671 -11.916 1.00 29.06 O HETATM 2170 O HOH 123 0.535 -7.375 8.352 1.00 34.83 O HETATM 2171 O HOH 124 35.265 -11.088 9.604 1.00 50.39 O HETATM 2172 O HOH 125 29.329 3.407 1.461 1.00 21.44 O HETATM 2173 O HOH 126 23.465 -18.674 14.293 1.00 26.99 O HETATM 2174 O HOH 127 19.596 -4.734 -11.519 1.00 17.02 O HETATM 2175 O HOH 128 19.519 -9.635 24.350 1.00 43.11 O HETATM 2176 O HOH 129 -1.749 3.256 -10.015 1.00 47.63 O HETATM 2177 O HOH 130 -1.044 5.835 3.842 1.00 39.78 O HETATM 2178 O HOH 131 28.641 -0.215 23.282 1.00 41.09 O HETATM 2179 O HOH 132 13.608 -17.117 13.408 1.00 35.48 O HETATM 2180 O HOH 133 11.121 -8.497 3.421 1.00 14.35 O HETATM 2181 O HOH 134 29.262 -4.417 -9.676 1.00 34.40 O HETATM 2182 O HOH 135 -0.661 -6.850 10.696 1.00 37.01 O HETATM 2183 O HOH 136 16.228 -16.110 -5.178 1.00 34.36 O HETATM 2184 O HOH 137 7.524 -19.493 8.504 1.00 37.88 O HETATM 2185 O HOH 138 -0.986 -2.498 8.869 1.00 27.85 O HETATM 2186 O HOH 139 33.683 10.431 8.099 1.00 39.47 O HETATM 2187 O HOH 140 -5.716 -2.308 0.904 1.00 44.75 O HETATM 2188 O HOH 141 33.518 -10.921 12.792 1.00 40.82 O HETATM 2189 O HOH 142 5.682 -4.506 -13.986 1.00 44.86 O HETATM 2190 O HOH 143 -1.835 -2.172 12.933 1.00 43.89 O HETATM 2191 O HOH 144 1.667 -11.986 -2.978 1.00 27.68 O HETATM 2192 O HOH 145 -4.023 0.252 -9.124 1.00 40.56 O HETATM 2193 O HOH 146 12.201 -16.104 -2.500 1.00 18.52 O HETATM 2194 O HOH 147 11.869 -1.269 24.720 1.00 31.91 O HETATM 2195 O HOH 148 15.487 12.605 13.867 1.00 26.48 O HETATM 2196 O HOH 149 21.955 -18.487 16.729 1.00 23.20 O HETATM 2197 O HOH 150 12.303 2.774 22.628 1.00 30.31 O HETATM 2198 O HOH 151 31.185 -12.149 2.216 1.00 46.98 O HETATM 2199 O HOH 152 21.917 -12.277 -11.560 1.00 47.65 O HETATM 2200 O HOH 153 24.809 -16.930 12.498 1.00 42.30 O HETATM 2201 O HOH 154 14.037 -22.395 11.745 1.00 30.35 O HETATM 2202 O HOH 155 31.381 -10.149 -1.390 1.00 24.89 O HETATM 2203 O HOH 156 19.904 -12.023 6.779 1.00 19.85 O HETATM 2204 O HOH 157 6.351 -1.284 -11.208 1.00 37.79 O HETATM 2205 O HOH 158 34.285 6.733 6.550 1.00 31.75 O HETATM 2206 O HOH 159 35.472 -1.993 8.230 1.00 40.28 O HETATM 2207 O HOH 160 2.014 -13.000 -0.319 1.00 25.79 O HETATM 2208 O HOH 161 2.617 -15.649 -2.036 1.00 48.65 O HETATM 2209 O HOH 162 -3.624 3.361 -1.771 1.00 48.55 O HETATM 2210 O HOH 163 25.165 4.240 -12.020 1.00 23.49 O HETATM 2211 O HOH 164 27.245 3.025 21.102 1.00 39.46 O HETATM 2212 O HOH 165 13.630 13.709 1.004 1.00 37.08 O HETATM 2213 O HOH 166 1.041 -3.944 16.325 1.00 46.14 O HETATM 2214 O HOH 167 -3.951 3.824 -4.892 1.00 47.45 O HETATM 2215 O HOH 168 1.168 9.146 10.036 1.00 36.88 O HETATM 2216 O HOH 169 30.733 9.968 -3.970 1.00 26.11 O HETATM 2217 O HOH 170 18.191 -2.173 -5.496 1.00 14.41 O HETATM 2218 O HOH 171 6.330 -3.863 16.654 1.00 30.41 O HETATM 2219 O HOH 172 -1.736 5.300 -0.584 1.00 46.90 O HETATM 2220 O HOH 173 33.162 -7.961 4.584 1.00 41.67 O HETATM 2221 O HOH 174 34.682 -7.626 13.815 1.00 27.10 O HETATM 2222 O HOH 175 33.033 3.315 1.834 1.00 43.55 O HETATM 2223 O HOH 176 21.347 -10.858 8.794 1.00 28.75 O HETATM 2224 O HOH 177 5.204 -2.124 -8.925 1.00 22.12 O HETATM 2225 O HOH 178 20.790 -7.580 11.375 1.00 23.22 O HETATM 2226 O HOH 179 17.025 -1.451 -12.575 1.00 24.39 O HETATM 2227 O HOH 180 3.963 2.598 13.814 1.00 40.89 O HETATM 2228 O HOH 181 11.917 -20.104 12.520 1.00 42.42 O HETATM 2229 O HOH 182 -2.382 0.149 3.667 1.00 38.53 O HETATM 2230 O HOH 183 -0.661 -10.910 -3.253 1.00 42.57 O HETATM 2231 O HOH 184 -7.089 -9.950 1.190 1.00 34.50 O HETATM 2232 O HOH 185 10.392 6.018 -6.431 1.00 19.55 O HETATM 2233 O HOH 186 24.231 9.301 -7.085 1.00 22.82 O HETATM 2234 O HOH 187 18.703 -23.261 4.159 1.00 18.21 O HETATM 2235 O HOH 188 33.464 2.641 9.091 1.00 28.53 O HETATM 2236 O HOH 189 26.820 13.948 3.177 1.00 21.04 O HETATM 2237 O HOH 190 7.218 -22.008 5.369 1.00 32.24 O HETATM 2238 O HOH 191 11.612 6.031 21.457 1.00 39.97 O HETATM 2239 O HOH 192 34.759 -12.891 -6.115 1.00 53.05 O HETATM 2240 O HOH 193 3.340 11.294 -1.161 1.00 45.58 O HETATM 2241 O HOH 194 10.808 0.073 22.025 1.00 27.41 O HETATM 2242 O HOH 195 31.875 -3.570 20.374 1.00 45.02 O HETATM 2243 O HOH 196 9.791 -13.975 14.673 1.00 25.69 O HETATM 2244 O HOH 197 30.164 -0.302 -8.149 1.00 30.08 O HETATM 2245 O HOH 198 11.858 -7.576 19.347 1.00 17.63 O HETATM 2246 O HOH 199 16.021 -11.570 24.260 1.00 47.80 O HETATM 2247 O HOH 200 35.632 8.096 0.778 1.00 50.32 O HETATM 2248 O HOH 201 31.143 1.626 2.520 1.00 29.84 O HETATM 2249 O HOH 202 4.643 -1.784 15.752 1.00 40.88 O HETATM 2250 O HOH 203 3.122 -13.181 17.025 1.00 46.30 O HETATM 2251 O HOH 204 24.201 -14.680 22.689 1.00 51.42 O HETATM 2252 O HOH 205 11.292 -9.705 17.160 1.00 11.85 O HETATM 2253 O HOH 206 3.237 -6.264 17.454 1.00 43.44 O HETATM 2254 O HOH 207 22.591 -11.841 10.484 1.00 32.77 O HETATM 2255 O HOH 208 21.766 -10.203 11.847 1.00 29.91 O HETATM 2256 O HOH 209 33.487 -13.313 20.374 1.00 52.67 O HETATM 2257 O HOH 210 5.472 9.544 2.373 1.00 42.33 O HETATM 2258 O HOH 211 13.384 -17.624 -4.817 1.00 22.13 O HETATM 2259 O HOH 212 30.030 3.724 -1.569 1.00 15.61 O HETATM 2260 O HOH 213 4.151 6.358 13.428 1.00 43.15 O HETATM 2261 O HOH 214 -1.675 7.754 -1.700 1.00 46.24 O HETATM 2262 O HOH 215 -3.357 1.483 1.094 1.00 49.80 O HETATM 2263 O HOH 216 27.642 -14.196 8.756 1.00 35.72 O HETATM 2264 O HOH 217 27.220 2.010 23.586 1.00 41.60 O HETATM 2265 O HOH 218 24.589 -13.029 0.899 1.00 18.28 O HETATM 2266 O HOH 219 -1.383 8.570 -4.170 1.00 38.66 O HETATM 2267 O HOH 220 32.940 3.209 -3.169 1.00 49.85 O HETATM 2268 O HOH 221 24.083 -19.090 9.518 1.00 40.30 O HETATM 2269 O HOH 222 3.501 10.153 1.824 1.00 46.27 O HETATM 2270 O HOH 223 29.891 8.302 16.864 1.00 48.86 O HETATM 2271 O HOH 224 31.641 -13.777 -8.697 1.00 47.47 O HETATM 2272 O HOH 225 28.511 0.970 -12.838 1.00 41.32 O HETATM 2273 O HOH 226 -0.990 5.383 9.065 1.00 48.80 O HETATM 2274 O HOH 227 29.071 -15.642 12.223 1.00 43.26 O HETATM 2275 O HOH 228 14.142 -24.531 9.859 1.00 45.22 O HETATM 2276 O HOH 229 29.121 -2.580 -12.713 1.00 49.20 O HETATM 2277 O HOH 230 26.508 6.870 -10.592 1.00 48.47 O HETATM 2278 O HOH 231 34.799 7.647 -3.035 1.00 43.24 O HETATM 2279 O HOH 232 -2.253 -10.124 13.844 1.00 46.42 O HETATM 2280 O HOH 233 -0.324 11.902 -5.092 1.00 47.39 O HETATM 2281 O HOH 234 30.727 -2.493 -9.685 1.00 41.50 O HETATM 2282 O HOH 235 12.110 -8.216 -18.672 1.00 23.45 O HETATM 2283 O HOH 236 3.801 -14.159 -6.546 1.00 31.46 O HETATM 2284 O HOH 237 26.170 -4.822 27.284 1.00 44.80 O HETATM 2285 O HOH 238 8.198 -8.757 -15.146 1.00 47.67 O HETATM 2286 O HOH 239 2.461 -8.313 -9.580 1.00 32.60 O HETATM 2287 O HOH 240 21.693 -13.269 5.174 1.00 42.33 O HETATM 2288 O HOH 241 3.376 -12.737 -8.741 1.00 45.70 O HETATM 2289 O HOH 242 9.980 -15.535 -9.381 1.00 46.85 O HETATM 2290 O HOH 243 23.538 -11.980 7.522 1.00 42.81 O HETATM 2291 O HOH 244 25.904 -12.978 7.336 1.00 40.57 O HETATM 2292 O HOH 245 35.659 1.363 9.553 1.00 45.51 O HETATM 2293 O HOH 246 14.133 16.665 -1.466 1.00 42.06 O HETATM 2294 O HOH 247 33.101 3.783 -7.253 1.00 48.43 O HETATM 2295 O HOH 248 23.528 -6.277 26.612 1.00 26.42 O HETATM 2296 O HOH 249 0.034 -11.119 16.811 1.00 45.87 O HETATM 2297 O HOH 250 24.628 17.128 10.105 1.00 40.38 O HETATM 2298 O HOH 251 3.124 -5.887 -10.077 1.00 41.32 O HETATM 2299 O HOH 252 16.897 -16.525 22.098 1.00 44.52 O HETATM 2300 O HOH 253 5.099 5.283 18.162 1.00 49.95 O HETATM 2301 O HOH 254 18.016 -18.437 15.644 1.00 38.26 O HETATM 2302 O HOH 255 3.197 10.533 9.571 1.00 41.74 O HETATM 2303 O HOH 256 26.191 12.548 11.670 1.00 40.41 O HETATM 2304 O HOH 257 34.367 -9.642 -8.479 1.00 44.14 O HETATM 2305 O HOH 258 32.067 9.235 16.209 1.00 50.35 O HETATM 2306 O HOH 259 10.581 12.130 19.819 1.00 49.86 O HETATM 2307 O HOH 260 33.398 14.093 3.265 1.00 34.01 O HETATM 2308 O HOH 261 9.779 -11.226 14.673 1.00 22.22 O HETATM 2309 O HOH 262 0.941 13.612 -6.298 1.00 51.74 O HETATM 2310 O HOH 263 29.117 12.001 11.817 1.00 39.49 O HETATM 2311 O HOH 264 18.935 7.839 20.651 1.00 44.46 O HETATM 2312 O HOH 265 -1.964 -11.940 16.778 1.00 45.16 O HETATM 2313 O HOH 266 15.257 -13.851 -10.737 1.00 25.83 O HETATM 2314 O HOH 267 26.919 15.919 9.336 1.00 42.85 O HETATM 2315 O HOH 268 -0.084 -8.892 -9.310 1.00 42.85 O HETATM 2316 O HOH 269 18.887 -19.013 18.250 1.00 43.82 O HETATM 2317 O HOH 270 6.853 -16.585 -8.286 1.00 36.04 O HETATM 2318 O HOH 271 4.289 4.630 15.775 1.00 52.70 O HETATM 2319 O HOH 272 1.900 -13.975 -4.835 1.00 39.06 O HETATM 2320 O HOH 273 10.597 -11.914 -13.213 1.00 34.65 O HETATM 2321 O HOH 274 13.253 -13.642 -12.665 1.00 49.33 O HETATM 2322 O HOH 275 9.423 -10.763 21.455 1.00 36.22 O HETATM 2323 O HOH 276 5.183 -10.457 18.694 1.00 41.75 O HETATM 2324 O HOH 277 6.948 -10.180 -10.911 1.00 39.86 O HETATM 2325 O HOH 278 12.470 -14.805 14.563 1.00 33.75 O HETATM 2326 O HOH 279 9.220 5.196 -13.887 1.00 51.26 O HETATM 2327 O HOH 280 5.015 -6.041 -11.653 1.00 51.52 O HETATM 2328 O HOH 281 28.224 12.215 15.276 1.00 49.35 O HETATM 2329 C24 UNN A 282 15.876 -13.431 18.296 1.00 0.02 C HETATM 2330 C20 UNN A 282 16.380 -14.140 17.224 1.00 -0.04 C HETATM 2331 C19 UNN A 282 17.311 -15.347 17.306 1.00 -0.00 C HETATM 2332 C15 UNN A 282 18.816 -15.033 17.321 1.00 0.10 C HETATM 2333 C16 UNN A 282 19.181 -14.048 18.419 1.00 0.06 C HETATM 2334 O17 UNN A 282 18.931 -14.384 19.598 1.00 -0.57 O HETATM 2335 O18 UNN A 282 19.734 -12.954 18.176 1.00 -0.57 O HETATM 2336 N14 UNN A 282 19.112 -14.634 15.980 1.00 -0.27 N HETATM 2337 C12 UNN A 282 20.283 -15.150 15.314 1.00 0.21 C HETATM 2338 C09 UNN A 282 20.333 -14.798 13.848 1.00 0.14 C HETATM 2339 C10 UNN A 282 21.188 -15.439 12.971 1.00 0.14 C HETATM 2340 O11 UNN A 282 22.148 -16.307 13.443 1.00 -0.32 O HETATM 2341 H4 UNN A 282 22.051 -16.404 14.383 1.00 0.26 H HETATM 2342 C04 UNN A 282 21.154 -15.153 11.594 1.00 0.04 C HETATM 2343 C03 UNN A 282 22.038 -15.770 10.670 1.00 -0.04 C HETATM 2344 C02 UNN A 282 21.954 -15.466 9.318 1.00 -0.06 C HETATM 2345 C01 UNN A 282 20.997 -14.568 8.878 1.00 -0.06 C HETATM 2346 C06 UNN A 282 20.127 -13.972 9.782 1.00 -0.05 C HETATM 2347 C05 UNN A 282 20.205 -14.270 11.160 1.00 0.02 C HETATM 2348 C07 UNN A 282 19.337 -13.682 12.115 1.00 0.12 C HETATM 2349 N08 UNN A 282 19.410 -13.970 13.399 1.00 -0.28 N HETATM 2350 CL1 UNN A 282 18.106 -12.521 11.617 1.00 -0.05 CL HETATM 2351 H8 UNN A 282 19.381 -13.271 9.426 1.00 0.06 H HETATM 2352 H5 UNN A 282 20.926 -14.329 7.823 1.00 0.06 H HETATM 2353 H6 UNN A 282 22.634 -15.929 8.611 1.00 0.06 H HETATM 2354 H7 UNN A 282 22.779 -16.479 11.021 1.00 0.07 H HETATM 2355 O13 UNN A 282 21.037 -15.905 15.838 1.00 -0.39 O HETATM 2356 H9 UNN A 282 18.507 -13.997 15.503 1.00 0.19 H HETATM 2357 H10 UNN A 282 19.372 -15.958 17.531 1.00 0.07 H HETATM 2358 H2 UNN A 282 17.109 -15.989 16.436 1.00 0.04 H HETATM 2359 H3 UNN A 282 17.072 -15.895 18.229 1.00 0.04 H HETATM 2360 C21 UNN A 282 15.831 -13.530 16.076 1.00 -0.02 C HETATM 2361 C22 UNN A 282 15.039 -12.482 16.524 1.00 0.06 C HETATM 2362 N23 UNN A 282 15.097 -12.452 17.865 1.00 -0.29 N HETATM 2363 H11 UNN A 282 14.610 -11.772 18.466 1.00 0.22 H HETATM 2364 C25 UNN A 282 14.353 -11.651 15.622 1.00 -0.04 C HETATM 2365 C26 UNN A 282 14.470 -11.894 14.270 1.00 -0.08 C HETATM 2366 C27 UNN A 282 15.262 -12.949 13.813 1.00 -0.08 C HETATM 2367 C28 UNN A 282 15.950 -13.771 14.696 1.00 -0.07 C HETATM 2368 H15 UNN A 282 16.567 -14.583 14.328 1.00 0.05 H HETATM 2369 H14 UNN A 282 15.342 -13.130 12.747 1.00 0.05 H HETATM 2370 H13 UNN A 282 13.946 -11.264 13.560 1.00 0.05 H HETATM 2371 H12 UNN A 282 13.742 -10.832 15.983 1.00 0.05 H HETATM 2372 H1 UNN A 282 16.088 -13.646 19.342 1.00 0.08 H CONECT 759 757 758 2048 CONECT 779 778 781 2048 CONECT 800 798 2049 CONECT 1339 1337 1338 2048 CONECT 1498 1495 1499 1506 CONECT 1499 1498 1500 1502 CONECT 1500 1499 1501 1507 CONECT 1501 1500 CONECT 1502 1499 1503 CONECT 1503 1502 1504 1505 2049 CONECT 1504 1503 CONECT 1505 1503 2049 CONECT 1506 1498 CONECT 1870 1868 1869 2049 CONECT 2048 759 779 1339 CONECT 2049 800 1503 1505 1870 CONECT 2329 2330 2362 2372 CONECT 2330 2329 2331 2360 CONECT 2331 2330 2332 2358 2359 CONECT 2332 2331 2333 2336 2357 CONECT 2333 2332 2334 2335 CONECT 2334 2333 CONECT 2335 2333 CONECT 2336 2332 2337 2356 CONECT 2337 2336 2338 2355 CONECT 2338 2337 2339 2349 CONECT 2339 2338 2340 2342 CONECT 2340 2339 2341 CONECT 2341 2340 CONECT 2342 2339 2343 2347 CONECT 2343 2342 2344 2354 CONECT 2344 2343 2345 2353 CONECT 2345 2344 2346 2352 CONECT 2346 2345 2347 2351 CONECT 2347 2342 2346 2348 CONECT 2348 2347 2349 2350 CONECT 2349 2338 2348 CONECT 2350 2348 CONECT 2351 2346 CONECT 2352 2345 CONECT 2353 2344 CONECT 2354 2343 CONECT 2355 2337 CONECT 2356 2336 CONECT 2357 2332 CONECT 2358 2331 CONECT 2359 2331 CONECT 2360 2330 2361 2367 CONECT 2361 2360 2362 2364 CONECT 2362 2329 2361 2363 CONECT 2363 2362 CONECT 2364 2361 2365 2371 CONECT 2365 2364 2366 2370 CONECT 2366 2365 2367 2369 CONECT 2367 2360 2366 2368 CONECT 2368 2367 CONECT 2369 2366 CONECT 2370 2365 CONECT 2371 2364 CONECT 2372 2329 MASTER 0 0 0 0 0 0 0 0 2371 1 60 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5nai
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5n55
RCSB PDB
PDBbind
266aa, >5N55_1|Chains... *
5n58
RCSB PDB
PDBbind
266aa, >5N58_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5n58
RCSB PDB
PDBbind
93W
Entry Information
PDB ID
5nai
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Class B metallo-beta-lactamase
Ligand Name
93W
EC.Number
E.C.-.-.-.-
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Kd=0.8uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Chem. Commun. (Camb.) Vol. 53: pp. 5806-5809
Ligand Properties
Formula
C
2
1
H
1
6
ClN
3
O
4
Molecular Weight
409.822
Exact Mass
409.083
No. of atoms
45
No. of bonds
48
Polar Surface Area
115.31
LOGP Value
5.47 (
Computed with XLOGP3
)
3.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
OC(=O)[C@H](NC(=O)c1nc(Cl)c2c(c1O)cccc2)Cc1c[nH]c2c1cccc2
InChI String
InChI=1S/C21H16ClN3O4/c22-19-14-7-2-1-6-13(14)18(26)17(25-19)20(27)24-16(21(28)29)9-11-10-23-15-8-4-3-5-12(11)15/h1-8,10,16,23,26H,9H2,(H,24,27)(H,28,29)/t16-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8GKX2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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