Browse entries in the PDBbind-CN Database
HEADER 4TYT_COMPLEX COMPND 4TYT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 7 GLU LYS THR VAL ILE LYS ASN SEQRES 1 A 21 THR GLY THR ILE SER ILE SER GLN LEU ASN LYS ASN VAL SEQRES 2 A 21 TRP VAL HIS THR GLU LEU GLY SER SEQRES 1 A 190 ALA VAL PRO SER ASN GLY LEU VAL LEU ASN THR SER LYS SEQRES 2 A 190 GLY LEU VAL LEU VAL ASP SER SER TRP ASP ASP LYS LEU SEQRES 3 A 190 THR LYS GLU LEU ILE GLU MET VAL GLU LYS LYS PHE GLN SEQRES 4 A 190 LYS ARG VAL THR ASP VAL ILE ILE THR HIS ALA HIS ALA SEQRES 5 A 190 ASP ARG ILE GLY GLY ILE LYS THR LEU LYS GLU ARG GLY SEQRES 6 A 190 ILE LYS ALA HIS SER THR ALA LEU THR ALA GLU LEU ALA SEQRES 7 A 190 LYS LYS ASN GLY TYR GLU GLU PRO LEU GLY ASP LEU GLN SEQRES 8 A 190 THR VAL THR ASN LEU LYS PHE GLY ASN MET LYS VAL GLU SEQRES 9 A 190 THR PHE TYR PRO GLY LYS GLY HIS THR GLU ASP ASN ILE SEQRES 10 A 190 VAL VAL TRP LEU PRO GLN TYR ASN ILE LEU VAL GLY GLY SEQRES 11 A 190 CYS LEU VAL LYS SER THR SER ALA LYS ASP LEU GLY ASN SEQRES 12 A 190 VAL ALA ASP ALA TYR VAL ASN GLU TRP SER THR SER ILE SEQRES 13 A 190 GLU ASN VAL LEU LYS ARG TYR ARG ASN ILE ASN ALA VAL SEQRES 14 A 190 VAL PRO GLY HIS GLY GLU VAL GLY ASP LYS GLY LEU LEU SEQRES 15 A 190 LEU HIS THR LEU ASP LEU LEU LYS HET ZN A 1 1 HET ZN A 2 1 HET S A 3C 19 ATOM 1 N GLU A 35 83.790 -0.951 6.963 1.00 70.41 N ATOM 2 CA GLU A 35 82.905 0.086 7.478 1.00 69.51 C ATOM 3 C GLU A 35 81.489 -0.103 6.935 1.00 63.54 C ATOM 4 O GLU A 35 81.306 -0.429 5.763 1.00 68.95 O ATOM 5 CB GLU A 35 83.434 1.475 7.112 1.00 71.08 C ATOM 6 HN3 GLU A 35 83.815 -0.899 5.925 1.00 0.00 H ATOM 7 HN2 GLU A 35 83.436 -1.884 7.256 1.00 0.00 H ATOM 8 HN1 GLU A 35 84.748 -0.807 7.342 1.00 0.00 H ATOM 9 N LYS A 36 80.491 0.104 7.788 1.00 58.49 N ATOM 10 CA LYS A 36 79.101 -0.140 7.412 1.00 53.48 C ATOM 11 C LYS A 36 78.539 1.008 6.574 1.00 46.64 C ATOM 12 O LYS A 36 78.800 2.177 6.850 1.00 51.66 O ATOM 13 CB LYS A 36 78.242 -0.359 8.665 1.00 40.00 C ATOM 14 H LYS A 36 80.705 0.448 8.746 1.00 0.00 H ATOM 15 N THR A 37 77.762 0.663 5.553 1.00 47.30 N ATOM 16 CA THR A 37 77.149 1.656 4.673 1.00 39.60 C ATOM 17 C THR A 37 76.145 2.533 5.424 1.00 41.83 C ATOM 18 O THR A 37 75.263 2.025 6.110 1.00 33.44 O ATOM 19 CB THR A 37 76.434 0.978 3.488 1.00 48.72 C ATOM 20 OG1 THR A 37 77.293 -0.011 2.908 1.00 61.22 O ATOM 21 CG2 THR A 37 76.058 2.000 2.431 1.00 48.40 C ATOM 22 HG1 THR A 37 77.517 -0.692 3.590 1.00 0.00 H ATOM 23 H THR A 37 77.584 -0.346 5.374 1.00 0.00 H ATOM 24 N VAL A 38 76.294 3.849 5.283 1.00 51.37 N ATOM 25 CA VAL A 38 75.407 4.826 5.919 1.00 44.36 C ATOM 26 C VAL A 38 74.863 5.790 4.871 1.00 42.74 C ATOM 27 O VAL A 38 75.625 6.348 4.073 1.00 43.40 O ATOM 28 CB VAL A 38 76.135 5.636 7.018 1.00 47.48 C ATOM 29 CG1 VAL A 38 75.218 6.719 7.599 1.00 45.55 C ATOM 30 CG2 VAL A 38 76.640 4.714 8.115 1.00 43.50 C ATOM 31 H VAL A 38 77.076 4.199 4.694 1.00 0.00 H ATOM 32 N ILE A 39 73.548 5.988 4.889 1.00 41.66 N ATOM 33 CA ILE A 39 72.867 6.825 3.904 1.00 40.57 C ATOM 34 C ILE A 39 71.954 7.830 4.604 1.00 36.37 C ATOM 35 O ILE A 39 71.159 7.465 5.470 1.00 32.53 O ATOM 36 CB ILE A 39 72.049 5.963 2.919 1.00 39.90 C ATOM 37 CG1 ILE A 39 72.987 5.055 2.120 1.00 47.56 C ATOM 38 CG2 ILE A 39 71.248 6.834 1.963 1.00 46.54 C ATOM 39 CD1 ILE A 39 72.293 3.907 1.436 1.00 57.39 C ATOM 40 H ILE A 39 72.983 5.530 5.632 1.00 0.00 H ATOM 41 N LYS A 40 72.076 9.097 4.215 1.00 37.39 N ATOM 42 CA LYS A 40 71.333 10.181 4.853 1.00 37.27 C ATOM 43 C LYS A 40 70.314 10.812 3.906 1.00 41.18 C ATOM 44 O LYS A 40 70.462 10.741 2.681 1.00 39.76 O ATOM 45 CB LYS A 40 72.302 11.258 5.359 1.00 48.40 C ATOM 46 CG LYS A 40 73.364 10.747 6.328 1.00 44.20 C ATOM 47 H LYS A 40 72.721 9.323 3.431 1.00 0.00 H ATOM 48 N ASN A 41 69.287 11.435 4.478 1.00 37.21 N ATOM 49 CA ASN A 41 68.309 12.177 3.688 1.00 41.40 C ATOM 50 C ASN A 41 68.886 13.488 3.157 1.00 42.27 C ATOM 51 O ASN A 41 69.812 14.053 3.740 1.00 45.41 O ATOM 52 CB ASN A 41 67.047 12.459 4.514 1.00 36.58 C ATOM 53 CG ASN A 41 67.321 13.283 5.760 1.00 43.91 C ATOM 54 OD1 ASN A 41 68.449 13.340 6.258 1.00 40.71 O ATOM 55 ND2 ASN A 41 66.276 13.923 6.278 1.00 50.42 N ATOM 56 HD22 ASN A 41 65.343 13.847 5.825 1.00 0.00 H ATOM 57 HD21 ASN A 41 66.392 14.499 7.136 1.00 0.00 H ATOM 58 H ASN A 41 69.178 11.392 5.511 1.00 0.00 H TER 59 ASN A 41 ATOM 60 N THR A 43 68.860 16.396 4.482 1.00 64.01 N ATOM 61 CA THR A 43 69.151 17.306 5.585 1.00 67.82 C ATOM 62 C THR A 43 70.136 16.692 6.570 1.00 69.32 C ATOM 63 O THR A 43 71.010 17.382 7.096 1.00 74.79 O ATOM 64 CB THR A 43 67.872 17.697 6.350 1.00 68.07 C ATOM 65 OG1 THR A 43 67.036 18.496 5.507 1.00 72.19 O ATOM 66 CG2 THR A 43 68.210 18.490 7.617 1.00 66.11 C ATOM 67 HG1 THR A 43 66.215 18.746 6.000 1.00 0.00 H ATOM 68 HN3 THR A 43 68.447 15.519 4.858 1.00 0.00 H ATOM 69 HN2 THR A 43 69.740 16.176 3.974 1.00 0.00 H ATOM 70 HN1 THR A 43 68.186 16.847 3.831 1.00 0.00 H ATOM 71 N GLY A 44 69.978 15.398 6.824 1.00 68.92 N ATOM 72 CA GLY A 44 70.782 14.700 7.812 1.00 63.58 C ATOM 73 C GLY A 44 69.962 14.273 9.016 1.00 56.66 C ATOM 74 O GLY A 44 70.446 13.536 9.878 1.00 58.69 O ATOM 75 H GLY A 44 69.255 14.867 6.298 1.00 0.00 H ATOM 76 N THR A 45 68.714 14.730 9.077 1.00 51.17 N ATOM 77 CA THR A 45 67.825 14.371 10.179 1.00 47.89 C ATOM 78 C THR A 45 67.383 12.911 10.136 1.00 44.26 C ATOM 79 O THR A 45 66.845 12.409 11.121 1.00 36.73 O ATOM 80 CB THR A 45 66.550 15.234 10.197 1.00 49.17 C ATOM 81 OG1 THR A 45 65.801 15.018 8.991 1.00 46.09 O ATOM 82 CG2 THR A 45 66.902 16.705 10.346 1.00 53.79 C ATOM 83 HG1 THR A 45 64.983 15.575 9.008 1.00 0.00 H ATOM 84 H THR A 45 68.364 15.356 8.324 1.00 0.00 H ATOM 85 N ILE A 46 67.575 12.250 8.994 1.00 34.09 N ATOM 86 CA ILE A 46 67.293 10.817 8.877 1.00 29.73 C ATOM 87 C ILE A 46 68.474 10.096 8.253 1.00 30.32 C ATOM 88 O ILE A 46 68.981 10.492 7.201 1.00 32.44 O ATOM 89 CB ILE A 46 66.034 10.526 8.034 1.00 28.73 C ATOM 90 CG1 ILE A 46 64.812 11.196 8.659 1.00 30.89 C ATOM 91 CG2 ILE A 46 65.800 9.009 7.934 1.00 27.48 C ATOM 92 CD1 ILE A 46 63.559 11.046 7.852 1.00 40.14 C ATOM 93 H ILE A 46 67.934 12.765 8.165 1.00 0.00 H ATOM 94 N SER A 47 68.892 9.025 8.912 1.00 28.67 N ATOM 95 CA SER A 47 70.029 8.237 8.469 1.00 29.30 C ATOM 96 C SER A 47 69.716 6.755 8.616 1.00 32.55 C ATOM 97 O SER A 47 69.082 6.350 9.593 1.00 26.95 O ATOM 98 CB SER A 47 71.279 8.602 9.277 1.00 36.29 C ATOM 99 OG SER A 47 72.426 7.944 8.770 1.00 44.51 O ATOM 100 HG SER A 47 72.292 6.964 8.819 1.00 0.00 H ATOM 101 H SER A 47 68.389 8.739 9.776 1.00 0.00 H ATOM 102 N ILE A 48 70.144 5.954 7.643 1.00 27.31 N ATOM 103 CA ILE A 48 70.049 4.502 7.760 1.00 25.67 C ATOM 104 C ILE A 48 71.440 3.877 7.660 1.00 27.16 C ATOM 105 O ILE A 48 72.249 4.271 6.817 1.00 30.87 O ATOM 106 CB ILE A 48 69.111 3.891 6.693 1.00 24.98 C ATOM 107 CG1 ILE A 48 69.586 4.228 5.271 1.00 29.60 C ATOM 108 CG2 ILE A 48 67.690 4.389 6.912 1.00 24.99 C ATOM 109 CD1 ILE A 48 68.794 3.533 4.176 1.00 32.81 C ATOM 110 H ILE A 48 70.554 6.371 6.783 1.00 0.00 H ATOM 111 N SER A 49 71.701 2.912 8.540 1.00 26.12 N ATOM 112 CA SER A 49 72.988 2.219 8.594 1.00 27.61 C ATOM 113 C SER A 49 72.791 0.716 8.429 1.00 31.25 C ATOM 114 O SER A 49 71.950 0.113 9.102 1.00 27.18 O ATOM 115 CB SER A 49 73.699 2.515 9.912 1.00 29.69 C ATOM 116 OG SER A 49 73.667 3.900 10.205 1.00 36.53 O ATOM 117 HG SER A 49 72.726 4.199 10.277 1.00 0.00 H ATOM 118 H SER A 49 70.959 2.640 9.216 1.00 0.00 H ATOM 119 N GLN A 50 73.571 0.111 7.540 1.00 28.55 N ATOM 120 CA GLN A 50 73.410 -1.301 7.231 1.00 28.35 C ATOM 121 C GLN A 50 74.130 -2.191 8.234 1.00 28.61 C ATOM 122 O GLN A 50 75.327 -2.033 8.463 1.00 30.55 O ATOM 123 CB GLN A 50 73.917 -1.592 5.825 1.00 30.63 C ATOM 124 CG GLN A 50 73.543 -2.969 5.299 1.00 32.66 C ATOM 125 CD GLN A 50 73.885 -3.129 3.828 1.00 34.95 C ATOM 126 OE1 GLN A 50 74.811 -2.494 3.330 1.00 35.36 O ATOM 127 NE2 GLN A 50 73.132 -3.971 3.124 1.00 33.34 N ATOM 128 HE22 GLN A 50 72.358 -4.488 3.587 1.00 0.00 H ATOM 129 HE21 GLN A 50 73.318 -4.112 2.110 1.00 0.00 H ATOM 130 H GLN A 50 74.311 0.658 7.056 1.00 0.00 H ATOM 131 N LEU A 51 73.382 -3.120 8.826 1.00 26.96 N ATOM 132 CA LEU A 51 73.932 -4.143 9.712 1.00 30.51 C ATOM 133 C LEU A 51 74.243 -5.401 8.917 1.00 33.64 C ATOM 134 O LEU A 51 75.242 -6.074 9.158 1.00 37.27 O ATOM 135 CB LEU A 51 72.949 -4.466 10.843 1.00 32.34 C ATOM 136 CG LEU A 51 72.737 -3.406 11.924 1.00 32.26 C ATOM 137 CD1 LEU A 51 71.760 -3.916 12.978 1.00 22.09 C ATOM 138 CD2 LEU A 51 74.048 -3.010 12.581 1.00 43.41 C ATOM 139 H LEU A 51 72.357 -3.117 8.649 1.00 0.00 H ATOM 140 N ASN A 52 73.373 -5.719 7.967 1.00 38.54 N ATOM 141 CA ASN A 52 73.627 -6.804 7.028 1.00 39.16 C ATOM 142 C ASN A 52 72.804 -6.622 5.758 1.00 36.15 C ATOM 143 O ASN A 52 72.169 -5.582 5.565 1.00 37.09 O ATOM 144 CB ASN A 52 73.325 -8.155 7.676 1.00 40.68 C ATOM 145 CG ASN A 52 71.861 -8.315 8.047 1.00 37.53 C ATOM 146 OD1 ASN A 52 70.962 -8.073 7.237 1.00 39.58 O ATOM 147 ND2 ASN A 52 71.614 -8.725 9.285 1.00 43.74 N ATOM 148 HD22 ASN A 52 72.402 -8.918 9.936 1.00 0.00 H ATOM 149 HD21 ASN A 52 70.633 -8.853 9.604 1.00 0.00 H ATOM 150 H ASN A 52 72.487 -5.180 7.891 1.00 0.00 H ATOM 151 N LYS A 53 72.804 -7.649 4.914 1.00 39.00 N ATOM 152 CA LYS A 53 72.172 -7.584 3.599 1.00 46.82 C ATOM 153 C LYS A 53 70.741 -7.039 3.649 1.00 38.61 C ATOM 154 O LYS A 53 70.342 -6.254 2.784 1.00 41.20 O ATOM 155 CB LYS A 53 72.170 -8.973 2.952 1.00 43.63 C ATOM 156 H LYS A 53 73.272 -8.532 5.201 1.00 0.00 H ATOM 157 N ASN A 54 69.986 -7.443 4.667 1.00 28.61 N ATOM 158 CA ASN A 54 68.560 -7.131 4.732 1.00 28.16 C ATOM 159 C ASN A 54 68.131 -6.407 5.998 1.00 23.50 C ATOM 160 O ASN A 54 66.937 -6.202 6.210 1.00 21.67 O ATOM 161 CB ASN A 54 67.736 -8.415 4.604 1.00 32.07 C ATOM 162 CG ASN A 54 67.889 -9.077 3.249 1.00 36.07 C ATOM 163 OD1 ASN A 54 68.060 -10.289 3.160 1.00 48.91 O ATOM 164 ND2 ASN A 54 67.834 -8.282 2.187 1.00 38.45 N ATOM 165 HD22 ASN A 54 67.687 -7.260 2.310 1.00 0.00 H ATOM 166 HD21 ASN A 54 67.938 -8.682 1.232 1.00 0.00 H ATOM 167 H ASN A 54 70.421 -7.994 5.435 1.00 0.00 H ATOM 168 N VAL A 55 69.093 -6.018 6.830 1.00 24.07 N ATOM 169 CA VAL A 55 68.792 -5.338 8.087 1.00 21.46 C ATOM 170 C VAL A 55 69.570 -4.030 8.202 1.00 21.95 C ATOM 171 O VAL A 55 70.804 -4.014 8.132 1.00 23.76 O ATOM 172 CB VAL A 55 69.113 -6.234 9.296 1.00 21.20 C ATOM 173 CG1 VAL A 55 68.729 -5.537 10.600 1.00 27.85 C ATOM 174 CG2 VAL A 55 68.385 -7.567 9.171 1.00 29.81 C ATOM 175 H VAL A 55 70.085 -6.203 6.579 1.00 0.00 H ATOM 176 N TRP A 56 68.827 -2.942 8.374 1.00 20.60 N ATOM 177 CA TRP A 56 69.394 -1.618 8.574 1.00 21.16 C ATOM 178 C TRP A 56 68.834 -1.011 9.857 1.00 19.47 C ATOM 179 O TRP A 56 67.713 -1.321 10.271 1.00 21.35 O ATOM 180 CB TRP A 56 69.076 -0.689 7.393 1.00 21.97 C ATOM 181 CG TRP A 56 69.566 -1.153 6.039 1.00 24.24 C ATOM 182 CD1 TRP A 56 69.216 -2.301 5.385 1.00 24.32 C ATOM 183 CD2 TRP A 56 70.463 -0.455 5.166 1.00 26.36 C ATOM 184 NE1 TRP A 56 69.855 -2.369 4.168 1.00 26.78 N ATOM 185 CE2 TRP A 56 70.628 -1.250 4.012 1.00 29.87 C ATOM 186 CE3 TRP A 56 71.154 0.760 5.255 1.00 28.29 C ATOM 187 CZ2 TRP A 56 71.448 -0.867 2.951 1.00 30.71 C ATOM 188 CZ3 TRP A 56 71.971 1.137 4.201 1.00 30.14 C ATOM 189 CH2 TRP A 56 72.112 0.323 3.065 1.00 31.68 C ATOM 190 HE1 TRP A 56 69.765 -3.143 3.480 1.00 0.00 H ATOM 191 H TRP A 56 67.792 -3.042 8.365 1.00 0.00 H ATOM 192 N VAL A 57 69.609 -0.128 10.469 1.00 20.32 N ATOM 193 CA VAL A 57 69.121 0.713 11.559 1.00 19.35 C ATOM 194 C VAL A 57 68.692 2.058 10.995 1.00 23.17 C ATOM 195 O VAL A 57 69.453 2.662 10.245 1.00 25.97 O ATOM 196 CB VAL A 57 70.210 0.948 12.629 1.00 20.54 C ATOM 197 CG1 VAL A 57 69.678 1.832 13.759 1.00 25.38 C ATOM 198 CG2 VAL A 57 70.726 -0.380 13.167 1.00 26.20 C ATOM 199 H VAL A 57 70.598 -0.030 10.163 1.00 0.00 H ATOM 200 N HIS A 58 67.502 2.536 11.351 1.00 19.12 N ATOM 201 CA HIS A 58 67.123 3.899 10.993 1.00 19.17 C ATOM 202 C HIS A 58 67.220 4.790 12.224 1.00 26.36 C ATOM 203 O HIS A 58 66.876 4.389 13.335 1.00 21.70 O ATOM 204 CB HIS A 58 65.722 3.957 10.339 1.00 19.17 C ATOM 205 CG HIS A 58 64.565 3.735 11.268 1.00 17.51 C ATOM 206 ND1 HIS A 58 64.064 4.726 12.086 1.00 18.68 N ATOM 207 CD2 HIS A 58 63.758 2.660 11.446 1.00 19.55 C ATOM 208 CE1 HIS A 58 63.019 4.261 12.750 1.00 17.91 C ATOM 209 NE2 HIS A 58 62.812 3.009 12.380 1.00 16.33 N ATOM 210 H HIS A 58 66.841 1.937 11.885 1.00 0.00 H ATOM 211 N THR A 59 67.755 5.989 12.010 1.00 21.57 N ATOM 212 CA THR A 59 67.981 6.933 13.088 1.00 22.68 C ATOM 213 C THR A 59 67.487 8.314 12.696 1.00 24.08 C ATOM 214 O THR A 59 67.886 8.837 11.653 1.00 25.68 O ATOM 215 CB THR A 59 69.482 7.011 13.459 1.00 27.94 C ATOM 216 OG1 THR A 59 69.959 5.708 13.811 1.00 23.70 O ATOM 217 CG2 THR A 59 69.710 7.972 14.620 1.00 32.24 C ATOM 218 HG1 THR A 59 69.446 5.368 14.586 1.00 0.00 H ATOM 219 H THR A 59 68.019 6.258 11.041 1.00 0.00 H ATOM 220 N GLU A 60 66.623 8.896 13.528 1.00 23.76 N ATOM 221 CA GLU A 60 66.116 10.243 13.277 1.00 25.47 C ATOM 222 C GLU A 60 66.418 11.194 14.415 1.00 27.41 C ATOM 223 O GLU A 60 66.480 10.791 15.571 1.00 26.76 O ATOM 224 CB GLU A 60 64.604 10.238 13.037 1.00 23.93 C ATOM 225 CG GLU A 60 64.151 9.312 11.936 1.00 22.27 C ATOM 226 CD GLU A 60 64.055 7.888 12.402 1.00 22.52 C ATOM 227 OE1 GLU A 60 63.360 7.640 13.419 1.00 19.85 O ATOM 228 OE2 GLU A 60 64.697 7.026 11.766 1.00 20.10 O ATOM 229 H GLU A 60 66.303 8.381 14.373 1.00 0.00 H ATOM 230 N LEU A 61 66.580 12.468 14.067 1.00 30.13 N ATOM 231 CA LEU A 61 66.787 13.530 15.043 1.00 32.64 C ATOM 232 C LEU A 61 65.473 14.235 15.349 1.00 32.81 C ATOM 233 O LEU A 61 64.863 14.828 14.463 1.00 45.77 O ATOM 234 CB LEU A 61 67.815 14.548 14.531 1.00 36.14 C ATOM 235 CG LEU A 61 69.245 14.057 14.299 1.00 41.71 C ATOM 236 CD1 LEU A 61 70.093 15.170 13.678 1.00 49.80 C ATOM 237 CD2 LEU A 61 69.868 13.576 15.596 1.00 45.27 C ATOM 238 H LEU A 61 66.558 12.716 13.057 1.00 0.00 H ATOM 239 N GLY A 62 65.049 14.168 16.606 1.00 33.30 N ATOM 240 CA GLY A 62 63.841 14.840 17.051 1.00 42.93 C ATOM 241 C GLY A 62 64.093 15.806 18.197 1.00 56.69 C ATOM 242 O GLY A 62 65.219 15.921 18.689 1.00 54.86 O ATOM 243 H GLY A 62 65.600 13.616 17.294 1.00 0.00 H ATOM 244 N SER A 63 63.034 16.509 18.598 1.00 62.97 N ATOM 245 CA SER A 63 63.036 17.364 19.786 1.00 71.08 C ATOM 246 C SER A 63 64.177 18.377 19.801 1.00 76.28 C ATOM 247 O SER A 63 64.229 19.245 20.672 1.00 82.03 O ATOM 248 CB SER A 63 63.094 16.499 21.046 1.00 67.44 C ATOM 249 OG SER A 63 61.790 16.130 21.461 1.00 65.79 O ATOM 250 HG SER A 63 61.850 15.572 22.276 1.00 0.00 H ATOM 251 H SER A 63 62.160 16.447 18.037 1.00 0.00 H TER 252 SER A 63 ATOM 253 N ALA A 68 67.681 18.407 21.176 1.00 65.66 N ATOM 254 CA ALA A 68 67.972 17.469 20.099 1.00 59.96 C ATOM 255 C ALA A 68 68.272 16.079 20.657 1.00 60.06 C ATOM 256 O ALA A 68 69.173 15.913 21.481 1.00 54.22 O ATOM 257 CB ALA A 68 69.138 17.968 19.260 1.00 57.82 C ATOM 258 HN3 ALA A 68 68.502 18.470 21.811 1.00 0.00 H ATOM 259 HN2 ALA A 68 66.853 18.074 21.710 1.00 0.00 H ATOM 260 HN1 ALA A 68 67.480 19.344 20.773 1.00 0.00 H ATOM 261 N VAL A 69 67.512 15.088 20.195 1.00 43.50 N ATOM 262 CA VAL A 69 67.623 13.718 20.690 1.00 44.39 C ATOM 263 C VAL A 69 67.515 12.725 19.535 1.00 34.38 C ATOM 264 O VAL A 69 66.484 12.677 18.856 1.00 33.95 O ATOM 265 CB VAL A 69 66.519 13.394 21.720 1.00 44.31 C ATOM 266 CG1 VAL A 69 66.740 12.011 22.338 1.00 36.73 C ATOM 267 CG2 VAL A 69 66.464 14.462 22.800 1.00 51.84 C ATOM 268 H VAL A 69 66.813 15.297 19.454 1.00 0.00 H ATOM 269 N PRO A 70 68.578 11.932 19.298 1.00 34.60 N ATOM 270 CA PRO A 70 68.461 10.884 18.279 1.00 28.04 C ATOM 271 C PRO A 70 67.683 9.680 18.787 1.00 24.09 C ATOM 272 O PRO A 70 67.629 9.448 20.000 1.00 26.88 O ATOM 273 CB PRO A 70 69.914 10.512 17.989 1.00 33.70 C ATOM 274 CG PRO A 70 70.613 10.774 19.261 1.00 31.65 C ATOM 275 CD PRO A 70 69.938 11.987 19.862 1.00 38.63 C ATOM 276 N SER A 71 67.095 8.937 17.854 1.00 21.17 N ATOM 277 CA SER A 71 66.266 7.773 18.146 1.00 19.85 C ATOM 278 C SER A 71 66.528 6.706 17.083 1.00 19.72 C ATOM 279 O SER A 71 66.725 7.049 15.922 1.00 23.57 O ATOM 280 CB SER A 71 64.783 8.162 18.163 1.00 21.40 C ATOM 281 OG SER A 71 63.943 7.026 18.151 1.00 36.58 O ATOM 282 HG SER A 71 64.117 6.497 17.332 1.00 0.00 H ATOM 283 H SER A 71 67.234 9.201 16.858 1.00 0.00 H ATOM 284 N ASN A 72 66.523 5.431 17.477 1.00 17.07 N ATOM 285 CA ASN A 72 66.739 4.319 16.549 1.00 16.49 C ATOM 286 C ASN A 72 65.541 3.408 16.375 1.00 16.74 C ATOM 287 O ASN A 72 64.801 3.140 17.317 1.00 19.90 O ATOM 288 CB ASN A 72 67.886 3.411 17.003 1.00 16.03 C ATOM 289 CG ASN A 72 69.177 4.150 17.251 1.00 19.21 C ATOM 290 OD1 ASN A 72 69.566 5.038 16.492 1.00 19.92 O ATOM 291 ND2 ASN A 72 69.875 3.751 18.312 1.00 18.68 N ATOM 292 HD22 ASN A 72 69.505 2.996 18.924 1.00 0.00 H ATOM 293 HD21 ASN A 72 70.791 4.194 18.529 1.00 0.00 H ATOM 294 H ASN A 72 66.359 5.219 18.482 1.00 0.00 H ATOM 295 N GLY A 73 65.406 2.894 15.163 1.00 17.12 N ATOM 296 CA GLY A 73 64.555 1.757 14.886 1.00 15.13 C ATOM 297 C GLY A 73 65.276 0.868 13.886 1.00 13.93 C ATOM 298 O GLY A 73 66.484 1.014 13.659 1.00 16.89 O ATOM 299 H GLY A 73 65.933 3.325 14.377 1.00 0.00 H ATOM 300 N LEU A 74 64.531 -0.055 13.292 1.00 14.78 N ATOM 301 CA LEU A 74 65.073 -1.010 12.338 1.00 16.45 C ATOM 302 C LEU A 74 64.289 -0.961 11.030 1.00 18.05 C ATOM 303 O LEU A 74 63.084 -0.710 11.033 1.00 13.22 O ATOM 304 CB LEU A 74 65.020 -2.421 12.917 1.00 26.61 C ATOM 305 CG LEU A 74 66.262 -3.288 12.757 1.00 29.66 C ATOM 306 CD1 LEU A 74 67.458 -2.681 13.480 1.00 24.99 C ATOM 307 CD2 LEU A 74 65.982 -4.671 13.268 1.00 21.55 C ATOM 308 H LEU A 74 63.517 -0.098 13.518 1.00 0.00 H ATOM 309 N VAL A 75 64.994 -1.202 9.928 1.00 19.63 N ATOM 310 CA VAL A 75 64.390 -1.409 8.616 1.00 16.47 C ATOM 311 C VAL A 75 64.732 -2.819 8.157 1.00 15.12 C ATOM 312 O VAL A 75 65.907 -3.172 8.040 1.00 18.43 O ATOM 313 CB VAL A 75 64.903 -0.398 7.562 1.00 21.30 C ATOM 314 CG1 VAL A 75 64.196 -0.604 6.223 1.00 20.91 C ATOM 315 CG2 VAL A 75 64.719 1.033 8.044 1.00 20.34 C ATOM 316 H VAL A 75 66.030 -1.245 10.006 1.00 0.00 H ATOM 317 N LEU A 76 63.703 -3.618 7.903 1.00 13.95 N ATOM 318 CA LEU A 76 63.881 -4.977 7.410 1.00 14.92 C ATOM 319 C LEU A 76 63.495 -5.067 5.936 1.00 18.11 C ATOM 320 O LEU A 76 62.335 -4.857 5.573 1.00 17.20 O ATOM 321 CB LEU A 76 63.045 -5.958 8.233 1.00 14.36 C ATOM 322 CG LEU A 76 63.284 -5.946 9.744 1.00 19.44 C ATOM 323 CD1 LEU A 76 62.321 -6.889 10.428 1.00 15.28 C ATOM 324 CD2 LEU A 76 64.727 -6.332 10.075 1.00 28.14 C ATOM 325 H LEU A 76 62.739 -3.262 8.061 1.00 0.00 H ATOM 326 N ASN A 77 64.477 -5.374 5.095 1.00 19.86 N ATOM 327 CA ASN A 77 64.249 -5.537 3.665 1.00 21.07 C ATOM 328 C ASN A 77 63.918 -6.986 3.350 1.00 22.53 C ATOM 329 O ASN A 77 64.802 -7.845 3.342 1.00 27.12 O ATOM 330 CB ASN A 77 65.472 -5.074 2.877 1.00 22.55 C ATOM 331 CG ASN A 77 65.225 -5.026 1.380 1.00 26.80 C ATOM 332 OD1 ASN A 77 64.092 -5.159 0.911 1.00 24.86 O ATOM 333 ND2 ASN A 77 66.291 -4.819 0.623 1.00 29.11 N ATOM 334 HD22 ASN A 77 67.228 -4.713 1.062 1.00 0.00 H ATOM 335 HD21 ASN A 77 66.192 -4.763 -0.411 1.00 0.00 H ATOM 336 H ASN A 77 65.439 -5.502 5.469 1.00 0.00 H ATOM 337 N THR A 78 62.635 -7.252 3.113 1.00 20.03 N ATOM 338 CA THR A 78 62.155 -8.612 2.888 1.00 26.09 C ATOM 339 C THR A 78 61.611 -8.750 1.477 1.00 25.13 C ATOM 340 O THR A 78 61.433 -7.762 0.761 1.00 22.87 O ATOM 341 CB THR A 78 61.047 -9.019 3.895 1.00 22.79 C ATOM 342 OG1 THR A 78 59.748 -8.691 3.370 1.00 21.31 O ATOM 343 CG2 THR A 78 61.251 -8.336 5.244 1.00 18.17 C ATOM 344 HG1 THR A 78 59.695 -7.716 3.208 1.00 0.00 H ATOM 345 H THR A 78 61.954 -6.467 3.087 1.00 0.00 H ATOM 346 N SER A 79 61.340 -9.987 1.088 1.00 26.37 N ATOM 347 CA SER A 79 60.885 -10.282 -0.264 1.00 30.36 C ATOM 348 C SER A 79 59.415 -9.932 -0.464 1.00 35.24 C ATOM 349 O SER A 79 58.910 -9.981 -1.583 1.00 30.08 O ATOM 350 CB SER A 79 61.110 -11.757 -0.575 1.00 25.00 C ATOM 351 OG SER A 79 60.372 -12.566 0.325 1.00 27.74 O ATOM 352 HG SER A 79 60.527 -13.520 0.112 1.00 0.00 H ATOM 353 H SER A 79 61.455 -10.768 1.765 1.00 0.00 H ATOM 354 N LYS A 80 58.732 -9.585 0.621 1.00 34.08 N ATOM 355 CA LYS A 80 57.317 -9.236 0.556 1.00 34.41 C ATOM 356 C LYS A 80 57.075 -7.786 0.962 1.00 23.28 C ATOM 357 O LYS A 80 55.925 -7.344 1.078 1.00 21.44 O ATOM 358 CB LYS A 80 56.504 -10.174 1.447 1.00 31.72 C ATOM 359 CG LYS A 80 56.662 -11.646 1.084 1.00 37.78 C ATOM 360 CD LYS A 80 56.063 -11.974 -0.284 1.00 42.81 C ATOM 361 CE LYS A 80 56.293 -13.430 -0.667 1.00 52.70 C ATOM 362 NZ LYS A 80 55.905 -14.381 0.419 1.00 58.14 N ATOM 363 HZ1 LYS A 80 56.469 -14.182 1.270 1.00 0.00 H ATOM 364 HZ2 LYS A 80 54.895 -14.264 0.636 1.00 0.00 H ATOM 365 HZ3 LYS A 80 56.083 -15.356 0.104 1.00 0.00 H ATOM 366 H LYS A 80 59.218 -9.562 1.540 1.00 0.00 H ATOM 367 N GLY A 81 58.155 -7.041 1.163 1.00 18.06 N ATOM 368 CA GLY A 81 58.050 -5.629 1.483 1.00 18.27 C ATOM 369 C GLY A 81 58.995 -5.203 2.589 1.00 18.17 C ATOM 370 O GLY A 81 59.735 -6.018 3.146 1.00 20.67 O ATOM 371 H GLY A 81 59.096 -7.478 1.090 1.00 0.00 H ATOM 372 N LEU A 82 58.963 -3.915 2.907 1.00 14.51 N ATOM 373 CA LEU A 82 59.746 -3.383 4.014 1.00 16.73 C ATOM 374 C LEU A 82 58.950 -3.450 5.312 1.00 15.32 C ATOM 375 O LEU A 82 57.763 -3.120 5.357 1.00 14.36 O ATOM 376 CB LEU A 82 60.181 -1.943 3.723 1.00 16.49 C ATOM 377 CG LEU A 82 61.087 -1.782 2.497 1.00 21.09 C ATOM 378 CD1 LEU A 82 61.187 -0.340 2.061 1.00 16.64 C ATOM 379 CD2 LEU A 82 62.464 -2.334 2.778 1.00 32.75 C ATOM 380 H LEU A 82 58.365 -3.270 2.353 1.00 0.00 H ATOM 381 N VAL A 83 59.628 -3.894 6.362 1.00 15.44 N ATOM 382 CA VAL A 83 59.072 -3.915 7.706 1.00 14.57 C ATOM 383 C VAL A 83 59.941 -3.057 8.606 1.00 14.40 C ATOM 384 O VAL A 83 61.156 -3.225 8.627 1.00 15.02 O ATOM 385 CB VAL A 83 58.994 -5.355 8.247 1.00 11.89 C ATOM 386 CG1 VAL A 83 58.542 -5.387 9.703 1.00 12.35 C ATOM 387 CG2 VAL A 83 58.059 -6.180 7.379 1.00 17.46 C ATOM 388 H VAL A 83 60.598 -4.242 6.218 1.00 0.00 H ATOM 389 N LEU A 84 59.320 -2.138 9.342 1.00 13.51 N ATOM 390 CA LEU A 84 60.043 -1.323 10.307 1.00 10.15 C ATOM 391 C LEU A 84 59.821 -1.792 11.735 1.00 14.52 C ATOM 392 O LEU A 84 58.719 -2.192 12.104 1.00 12.78 O ATOM 393 CB LEU A 84 59.623 0.147 10.220 1.00 14.76 C ATOM 394 CG LEU A 84 59.544 0.787 8.843 1.00 17.03 C ATOM 395 CD1 LEU A 84 59.111 2.242 8.992 1.00 18.30 C ATOM 396 CD2 LEU A 84 60.885 0.688 8.125 1.00 17.76 C ATOM 397 H LEU A 84 58.296 -1.999 9.225 1.00 0.00 H ATOM 398 N VAL A 85 60.877 -1.734 12.538 1.00 12.83 N ATOM 399 CA VAL A 85 60.707 -1.738 13.982 1.00 17.29 C ATOM 400 C VAL A 85 60.723 -0.282 14.422 1.00 17.14 C ATOM 401 O VAL A 85 61.754 0.393 14.319 1.00 15.38 O ATOM 402 CB VAL A 85 61.794 -2.539 14.704 1.00 14.70 C ATOM 403 CG1 VAL A 85 61.559 -2.516 16.215 1.00 17.42 C ATOM 404 CG2 VAL A 85 61.807 -3.959 14.195 1.00 16.52 C ATOM 405 H VAL A 85 61.833 -1.685 12.131 1.00 0.00 H ATOM 406 N ASP A 86 59.549 0.173 14.859 1.00 14.35 N ATOM 407 CA ASP A 86 59.265 1.523 15.353 1.00 13.28 C ATOM 408 C ASP A 86 59.192 2.579 14.243 1.00 12.56 C ATOM 409 O ASP A 86 59.793 2.423 13.183 1.00 13.58 O ATOM 410 CB ASP A 86 60.278 1.919 16.441 1.00 18.10 C ATOM 411 CG ASP A 86 59.958 1.267 17.774 1.00 15.83 C ATOM 412 OD1 ASP A 86 58.754 1.200 18.109 1.00 15.32 O ATOM 413 OD2 ASP A 86 60.888 0.794 18.472 1.00 14.23 O ATOM 414 H ASP A 86 58.754 -0.498 14.848 1.00 0.00 H ATOM 415 N SER A 87 58.391 3.621 14.483 1.00 16.91 N ATOM 416 CA SER A 87 58.221 4.712 13.521 1.00 19.70 C ATOM 417 C SER A 87 59.192 5.813 13.949 1.00 18.56 C ATOM 418 O SER A 87 60.371 5.527 14.148 1.00 18.15 O ATOM 419 CB SER A 87 56.744 5.190 13.433 1.00 19.59 C ATOM 420 OG SER A 87 56.273 5.899 14.582 1.00 17.12 O ATOM 421 HG SER A 87 56.337 5.314 15.378 1.00 0.00 H ATOM 422 H SER A 87 57.871 3.659 15.383 1.00 0.00 H ATOM 423 N SER A 88 58.732 7.050 14.108 1.00 19.82 N ATOM 424 CA SER A 88 59.626 8.118 14.536 1.00 23.58 C ATOM 425 C SER A 88 58.863 9.184 15.308 1.00 21.99 C ATOM 426 O SER A 88 57.666 9.046 15.546 1.00 18.82 O ATOM 427 CB SER A 88 60.345 8.738 13.329 1.00 21.59 C ATOM 428 OG SER A 88 61.443 9.546 13.735 1.00 18.53 O ATOM 429 HG SER A 88 62.092 8.991 14.236 1.00 0.00 H ATOM 430 H SER A 88 57.729 7.256 13.926 1.00 0.00 H ATOM 431 N TRP A 89 59.565 10.252 15.666 1.00 18.81 N ATOM 432 CA TRP A 89 59.076 11.247 16.615 1.00 28.46 C ATOM 433 C TRP A 89 57.732 11.863 16.249 1.00 29.18 C ATOM 434 O TRP A 89 56.945 12.205 17.129 1.00 19.90 O ATOM 435 CB TRP A 89 60.104 12.371 16.758 1.00 27.97 C ATOM 436 CG TRP A 89 61.402 11.932 17.343 1.00 21.74 C ATOM 437 CD1 TRP A 89 62.500 11.484 16.667 1.00 23.51 C ATOM 438 CD2 TRP A 89 61.745 11.903 18.734 1.00 23.10 C ATOM 439 NE1 TRP A 89 63.510 11.181 17.551 1.00 30.76 N ATOM 440 CE2 TRP A 89 63.072 11.426 18.827 1.00 30.43 C ATOM 441 CE3 TRP A 89 61.059 12.235 19.909 1.00 25.53 C ATOM 442 CZ2 TRP A 89 63.726 11.267 20.051 1.00 25.08 C ATOM 443 CZ3 TRP A 89 61.715 12.082 21.126 1.00 30.27 C ATOM 444 CH2 TRP A 89 63.034 11.600 21.185 1.00 25.63 C ATOM 445 HE1 TRP A 89 64.452 10.824 17.293 1.00 0.00 H ATOM 446 H TRP A 89 60.509 10.386 15.250 1.00 0.00 H ATOM 447 N ASP A 90 57.484 12.031 14.956 1.00 24.93 N ATOM 448 CA ASP A 90 56.256 12.668 14.490 1.00 16.14 C ATOM 449 C ASP A 90 55.896 12.170 13.080 1.00 17.04 C ATOM 450 O ASP A 90 56.605 11.344 12.495 1.00 14.65 O ATOM 451 CB ASP A 90 56.402 14.197 14.516 1.00 18.11 C ATOM 452 CG ASP A 90 57.535 14.702 13.631 1.00 26.72 C ATOM 453 OD1 ASP A 90 57.990 13.956 12.747 1.00 21.91 O ATOM 454 OD2 ASP A 90 57.970 15.854 13.815 1.00 25.78 O ATOM 455 H ASP A 90 58.181 11.701 14.258 1.00 0.00 H ATOM 456 N ASP A 91 54.801 12.673 12.525 1.00 21.33 N ATOM 457 CA ASP A 91 54.384 12.212 11.208 1.00 19.95 C ATOM 458 C ASP A 91 55.296 12.727 10.104 1.00 16.26 C ATOM 459 O ASP A 91 55.511 12.029 9.122 1.00 18.45 O ATOM 460 CB ASP A 91 52.945 12.614 10.942 1.00 17.71 C ATOM 461 CG ASP A 91 51.979 11.804 11.771 1.00 15.41 C ATOM 462 OD1 ASP A 91 51.888 10.589 11.525 1.00 19.51 O ATOM 463 OD2 ASP A 91 51.331 12.379 12.671 1.00 22.50 O ATOM 464 H ASP A 91 54.243 13.393 13.028 1.00 0.00 H ATOM 465 N LYS A 92 55.842 13.928 10.267 1.00 21.98 N ATOM 466 CA LYS A 92 56.740 14.478 9.255 1.00 28.74 C ATOM 467 C LYS A 92 57.968 13.579 9.063 1.00 27.99 C ATOM 468 O LYS A 92 58.318 13.238 7.930 1.00 20.63 O ATOM 469 CB LYS A 92 57.176 15.902 9.618 1.00 27.23 C ATOM 470 CG LYS A 92 58.081 16.531 8.567 1.00 25.00 C ATOM 471 CD LYS A 92 58.298 18.021 8.793 1.00 24.83 C ATOM 472 CE LYS A 92 59.103 18.628 7.649 1.00 25.89 C ATOM 473 NZ LYS A 92 60.366 19.260 8.113 1.00 30.62 N ATOM 474 HZ1 LYS A 92 60.145 20.020 8.788 1.00 0.00 H ATOM 475 HZ2 LYS A 92 60.960 18.544 8.578 1.00 0.00 H ATOM 476 HZ3 LYS A 92 60.874 19.656 7.297 1.00 0.00 H ATOM 477 H LYS A 92 55.628 14.480 11.122 1.00 0.00 H ATOM 478 N LEU A 93 58.620 13.197 10.159 1.00 23.51 N ATOM 479 CA LEU A 93 59.785 12.316 10.077 1.00 19.34 C ATOM 480 C LEU A 93 59.410 10.916 9.585 1.00 22.60 C ATOM 481 O LEU A 93 60.155 10.294 8.829 1.00 19.38 O ATOM 482 CB LEU A 93 60.485 12.218 11.439 1.00 17.74 C ATOM 483 CG LEU A 93 61.304 13.437 11.865 1.00 19.62 C ATOM 484 CD1 LEU A 93 61.726 13.308 13.323 1.00 21.01 C ATOM 485 CD2 LEU A 93 62.522 13.628 10.973 1.00 23.50 C ATOM 486 H LEU A 93 58.296 13.530 11.089 1.00 0.00 H ATOM 487 N THR A 94 58.257 10.415 10.016 1.00 17.53 N ATOM 488 CA THR A 94 57.827 9.081 9.627 1.00 14.30 C ATOM 489 C THR A 94 57.532 9.019 8.125 1.00 14.90 C ATOM 490 O THR A 94 57.888 8.046 7.455 1.00 14.85 O ATOM 491 CB THR A 94 56.593 8.649 10.438 1.00 19.62 C ATOM 492 OG1 THR A 94 56.968 8.514 11.820 1.00 15.67 O ATOM 493 CG2 THR A 94 56.027 7.322 9.931 1.00 21.46 C ATOM 494 HG1 THR A 94 57.303 9.383 12.156 1.00 0.00 H ATOM 495 H THR A 94 57.653 10.986 10.641 1.00 0.00 H ATOM 496 N LYS A 95 56.901 10.059 7.596 1.00 14.30 N ATOM 497 CA LYS A 95 56.650 10.138 6.163 1.00 16.13 C ATOM 498 C LYS A 95 57.964 10.130 5.374 1.00 17.50 C ATOM 499 O LYS A 95 58.110 9.387 4.402 1.00 18.05 O ATOM 500 CB LYS A 95 55.850 11.393 5.820 1.00 22.41 C ATOM 501 CG LYS A 95 54.386 11.347 6.211 1.00 28.19 C ATOM 502 CD LYS A 95 53.697 12.654 5.843 1.00 24.78 C ATOM 503 CE LYS A 95 52.230 12.672 6.250 1.00 32.88 C ATOM 504 NZ LYS A 95 51.553 13.923 5.784 1.00 28.61 N ATOM 505 HZ1 LYS A 95 52.025 14.749 6.206 1.00 0.00 H ATOM 506 HZ2 LYS A 95 51.611 13.981 4.747 1.00 0.00 H ATOM 507 HZ3 LYS A 95 50.555 13.905 6.077 1.00 0.00 H ATOM 508 H LYS A 95 56.580 10.831 8.215 1.00 0.00 H ATOM 509 N GLU A 96 58.917 10.954 5.799 1.00 18.47 N ATOM 510 CA GLU A 96 60.223 11.049 5.142 1.00 19.69 C ATOM 511 C GLU A 96 60.984 9.733 5.216 1.00 19.57 C ATOM 512 O GLU A 96 61.680 9.342 4.268 1.00 21.70 O ATOM 513 CB GLU A 96 61.063 12.166 5.780 1.00 23.68 C ATOM 514 CG GLU A 96 60.531 13.561 5.507 1.00 29.13 C ATOM 515 CD GLU A 96 61.100 14.627 6.436 1.00 32.11 C ATOM 516 OE1 GLU A 96 61.569 14.288 7.543 1.00 23.87 O ATOM 517 OE2 GLU A 96 61.064 15.814 6.052 1.00 38.96 O ATOM 518 H GLU A 96 58.728 11.553 6.628 1.00 0.00 H ATOM 519 N LEU A 97 60.871 9.059 6.357 1.00 15.43 N ATOM 520 CA LEU A 97 61.525 7.771 6.546 1.00 14.82 C ATOM 521 C LEU A 97 60.975 6.729 5.580 1.00 17.57 C ATOM 522 O LEU A 97 61.738 6.033 4.919 1.00 17.89 O ATOM 523 CB LEU A 97 61.350 7.280 7.982 1.00 20.05 C ATOM 524 CG LEU A 97 61.838 5.857 8.258 1.00 17.99 C ATOM 525 CD1 LEU A 97 63.319 5.701 7.929 1.00 23.93 C ATOM 526 CD2 LEU A 97 61.577 5.508 9.724 1.00 16.42 C ATOM 527 H LEU A 97 60.304 9.460 7.131 1.00 0.00 H ATOM 528 N ILE A 98 59.650 6.620 5.519 1.00 13.55 N ATOM 529 CA ILE A 98 58.997 5.644 4.661 1.00 19.22 C ATOM 530 C ILE A 98 59.395 5.906 3.207 1.00 14.59 C ATOM 531 O ILE A 98 59.809 5.005 2.479 1.00 14.80 O ATOM 532 CB ILE A 98 57.453 5.697 4.818 1.00 17.06 C ATOM 533 CG1 ILE A 98 57.043 5.193 6.200 1.00 16.60 C ATOM 534 CG2 ILE A 98 56.749 4.849 3.737 1.00 14.22 C ATOM 535 CD1 ILE A 98 55.684 5.671 6.639 1.00 23.91 C ATOM 536 H ILE A 98 59.064 7.251 6.102 1.00 0.00 H ATOM 537 N GLU A 99 59.288 7.157 2.799 1.00 15.37 N ATOM 538 CA GLU A 99 59.564 7.527 1.422 1.00 24.89 C ATOM 539 C GLU A 99 61.031 7.296 1.056 1.00 21.64 C ATOM 540 O GLU A 99 61.347 6.913 -0.071 1.00 17.96 O ATOM 541 CB GLU A 99 59.137 8.978 1.208 1.00 19.58 C ATOM 542 CG GLU A 99 57.607 9.130 1.329 1.00 18.49 C ATOM 543 CD GLU A 99 57.132 10.542 1.633 1.00 27.41 C ATOM 544 OE1 GLU A 99 57.966 11.449 1.836 1.00 23.69 O ATOM 545 OE2 GLU A 99 55.899 10.742 1.674 1.00 28.81 O ATOM 546 H GLU A 99 59.001 7.892 3.477 1.00 0.00 H ATOM 547 N MET A 100 61.928 7.483 2.014 1.00 17.23 N ATOM 548 CA MET A 100 63.338 7.218 1.761 1.00 21.68 C ATOM 549 C MET A 100 63.583 5.737 1.483 1.00 18.40 C ATOM 550 O MET A 100 64.274 5.391 0.522 1.00 19.10 O ATOM 551 CB MET A 100 64.204 7.655 2.945 1.00 19.74 C ATOM 552 CG MET A 100 65.694 7.461 2.700 1.00 21.94 C ATOM 553 SD MET A 100 66.658 7.668 4.213 1.00 30.25 S ATOM 554 CE MET A 100 66.035 9.248 4.734 1.00 39.90 C ATOM 555 H MET A 100 61.624 7.820 2.950 1.00 0.00 H ATOM 556 N VAL A 101 63.028 4.865 2.323 1.00 16.62 N ATOM 557 CA VAL A 101 63.340 3.442 2.209 1.00 17.99 C ATOM 558 C VAL A 101 62.557 2.805 1.059 1.00 16.64 C ATOM 559 O VAL A 101 63.060 1.898 0.382 1.00 17.45 O ATOM 560 CB VAL A 101 63.086 2.676 3.546 1.00 16.57 C ATOM 561 CG1 VAL A 101 64.066 3.160 4.624 1.00 17.90 C ATOM 562 CG2 VAL A 101 61.646 2.794 4.027 1.00 15.36 C ATOM 563 H VAL A 101 62.373 5.197 3.060 1.00 0.00 H ATOM 564 N GLU A 102 61.348 3.292 0.802 1.00 16.09 N ATOM 565 CA GLU A 102 60.584 2.758 -0.318 1.00 20.23 C ATOM 566 C GLU A 102 61.304 3.046 -1.638 1.00 22.03 C ATOM 567 O GLU A 102 61.379 2.186 -2.519 1.00 20.35 O ATOM 568 CB GLU A 102 59.168 3.327 -0.319 1.00 15.81 C ATOM 569 CG GLU A 102 58.350 2.749 0.803 1.00 14.56 C ATOM 570 CD GLU A 102 56.897 3.168 0.784 1.00 14.80 C ATOM 571 OE1 GLU A 102 56.557 4.176 0.125 1.00 16.36 O ATOM 572 OE2 GLU A 102 56.094 2.471 1.437 1.00 14.64 O ATOM 573 H GLU A 102 60.950 4.048 1.395 1.00 0.00 H ATOM 574 N LYS A 103 61.872 4.238 -1.759 1.00 18.67 N ATOM 575 CA LYS A 103 62.604 4.586 -2.967 1.00 20.34 C ATOM 576 C LYS A 103 63.885 3.773 -3.092 1.00 21.33 C ATOM 577 O LYS A 103 64.179 3.236 -4.154 1.00 22.53 O ATOM 578 CB LYS A 103 62.938 6.073 -2.991 1.00 21.09 C ATOM 579 CG LYS A 103 63.759 6.464 -4.203 1.00 26.95 C ATOM 580 CD LYS A 103 63.580 7.911 -4.552 1.00 23.90 C ATOM 581 CE LYS A 103 64.530 8.314 -5.667 1.00 32.89 C ATOM 582 NZ LYS A 103 64.247 9.685 -6.151 1.00 44.27 N ATOM 583 HZ1 LYS A 103 63.274 9.729 -6.515 1.00 0.00 H ATOM 584 HZ2 LYS A 103 64.356 10.358 -5.366 1.00 0.00 H ATOM 585 HZ3 LYS A 103 64.914 9.927 -6.911 1.00 0.00 H ATOM 586 H LYS A 103 61.794 4.929 -0.985 1.00 0.00 H ATOM 587 N LYS A 104 64.646 3.688 -2.008 1.00 21.02 N ATOM 588 CA LYS A 104 65.921 2.980 -2.042 1.00 22.24 C ATOM 589 C LYS A 104 65.751 1.491 -2.328 1.00 26.02 C ATOM 590 O LYS A 104 66.414 0.952 -3.208 1.00 24.78 O ATOM 591 CB LYS A 104 66.683 3.149 -0.723 1.00 21.90 C ATOM 592 CG LYS A 104 67.979 2.324 -0.706 1.00 24.70 C ATOM 593 CD LYS A 104 68.833 2.556 0.515 1.00 36.72 C ATOM 594 CE LYS A 104 70.033 1.613 0.501 1.00 42.46 C ATOM 595 NZ LYS A 104 70.874 1.783 -0.725 1.00 46.13 N ATOM 596 HZ1 LYS A 104 70.299 1.586 -1.569 1.00 0.00 H ATOM 597 HZ2 LYS A 104 71.230 2.759 -0.767 1.00 0.00 H ATOM 598 HZ3 LYS A 104 71.676 1.122 -0.688 1.00 0.00 H ATOM 599 H LYS A 104 64.329 4.132 -1.123 1.00 0.00 H ATOM 600 N PHE A 105 64.873 0.825 -1.583 1.00 22.79 N ATOM 601 CA PHE A 105 64.748 -0.629 -1.697 1.00 25.42 C ATOM 602 C PHE A 105 63.687 -1.052 -2.711 1.00 21.62 C ATOM 603 O PHE A 105 63.509 -2.241 -2.963 1.00 22.99 O ATOM 604 CB PHE A 105 64.448 -1.233 -0.333 1.00 21.06 C ATOM 605 CG PHE A 105 65.512 -0.954 0.680 1.00 20.51 C ATOM 606 CD1 PHE A 105 66.762 -1.545 0.570 1.00 25.49 C ATOM 607 CD2 PHE A 105 65.281 -0.072 1.717 1.00 18.41 C ATOM 608 CE1 PHE A 105 67.755 -1.279 1.498 1.00 31.42 C ATOM 609 CE2 PHE A 105 66.278 0.200 2.649 1.00 22.06 C ATOM 610 CZ PHE A 105 67.513 -0.407 2.535 1.00 24.66 C ATOM 611 H PHE A 105 64.269 1.343 -0.913 1.00 0.00 H ATOM 612 N GLN A 106 63.004 -0.071 -3.291 1.00 20.80 N ATOM 613 CA GLN A 106 62.050 -0.310 -4.376 1.00 21.24 C ATOM 614 C GLN A 106 60.992 -1.343 -4.011 1.00 20.45 C ATOM 615 O GLN A 106 60.737 -2.283 -4.760 1.00 21.43 O ATOM 616 CB GLN A 106 62.793 -0.741 -5.642 1.00 23.26 C ATOM 617 CG GLN A 106 63.515 0.396 -6.308 1.00 29.44 C ATOM 618 CD GLN A 106 62.550 1.377 -6.945 1.00 43.52 C ATOM 619 OE1 GLN A 106 61.847 1.042 -7.903 1.00 41.38 O ATOM 620 NE2 GLN A 106 62.490 2.589 -6.397 1.00 38.08 N ATOM 621 HE22 GLN A 106 63.102 2.826 -5.590 1.00 0.00 H ATOM 622 HE21 GLN A 106 61.831 3.299 -6.776 1.00 0.00 H ATOM 623 H GLN A 106 63.153 0.904 -2.962 1.00 0.00 H ATOM 624 N LYS A 107 60.387 -1.152 -2.842 1.00 18.88 N ATOM 625 CA LYS A 107 59.208 -1.905 -2.442 1.00 22.18 C ATOM 626 C LYS A 107 58.496 -1.104 -1.361 1.00 17.56 C ATOM 627 O LYS A 107 59.015 -0.070 -0.925 1.00 17.66 O ATOM 628 CB LYS A 107 59.591 -3.307 -1.963 1.00 27.07 C ATOM 629 CG LYS A 107 60.569 -3.343 -0.823 1.00 26.40 C ATOM 630 CD LYS A 107 61.133 -4.751 -0.617 1.00 32.85 C ATOM 631 CE LYS A 107 62.141 -5.135 -1.698 1.00 29.87 C ATOM 632 NZ LYS A 107 62.962 -6.322 -1.319 1.00 25.53 N ATOM 633 HZ1 LYS A 107 63.490 -6.113 -0.448 1.00 0.00 H ATOM 634 HZ2 LYS A 107 62.337 -7.138 -1.159 1.00 0.00 H ATOM 635 HZ3 LYS A 107 63.629 -6.540 -2.087 1.00 0.00 H ATOM 636 H LYS A 107 60.771 -0.438 -2.190 1.00 0.00 H ATOM 637 N ARG A 108 57.321 -1.558 -0.928 1.00 16.03 N ATOM 638 CA ARG A 108 56.509 -0.766 -0.002 1.00 14.87 C ATOM 639 C ARG A 108 56.766 -1.156 1.454 1.00 13.87 C ATOM 640 O ARG A 108 57.085 -2.309 1.755 1.00 14.04 O ATOM 641 CB ARG A 108 55.004 -0.913 -0.309 1.00 15.00 C ATOM 642 CG ARG A 108 54.585 -0.958 -1.789 1.00 16.26 C ATOM 643 CD ARG A 108 55.093 0.205 -2.645 1.00 16.80 C ATOM 644 NE ARG A 108 55.046 1.522 -1.999 1.00 16.09 N ATOM 645 CZ ARG A 108 53.940 2.243 -1.811 1.00 15.91 C ATOM 646 NH1 ARG A 108 52.748 1.769 -2.153 1.00 16.32 N ATOM 647 NH2 ARG A 108 54.027 3.442 -1.247 1.00 15.55 N ATOM 648 HE ARG A 108 55.944 1.924 -1.662 1.00 0.00 H ATOM 649 HH12 ARG A 108 51.896 2.345 -1.999 1.00 0.00 H ATOM 650 HH11 ARG A 108 52.666 0.822 -2.575 1.00 0.00 H ATOM 651 HH22 ARG A 108 53.169 4.010 -1.097 1.00 0.00 H ATOM 652 HH21 ARG A 108 54.954 3.813 -0.955 1.00 0.00 H ATOM 653 H ARG A 108 56.977 -2.485 -1.251 1.00 0.00 H ATOM 654 N VAL A 109 56.643 -0.184 2.356 1.00 13.03 N ATOM 655 CA VAL A 109 56.551 -0.492 3.789 1.00 12.30 C ATOM 656 C VAL A 109 55.169 -1.087 4.044 1.00 11.92 C ATOM 657 O VAL A 109 54.159 -0.455 3.726 1.00 15.40 O ATOM 658 CB VAL A 109 56.761 0.743 4.660 1.00 13.54 C ATOM 659 CG1 VAL A 109 56.519 0.406 6.133 1.00 13.15 C ATOM 660 CG2 VAL A 109 58.168 1.298 4.459 1.00 13.53 C ATOM 661 H VAL A 109 56.612 0.807 2.041 1.00 0.00 H ATOM 662 N THR A 110 55.124 -2.308 4.567 1.00 16.57 N ATOM 663 CA THR A 110 53.856 -3.017 4.765 1.00 17.29 C ATOM 664 C THR A 110 53.461 -3.101 6.228 1.00 18.20 C ATOM 665 O THR A 110 52.275 -3.130 6.545 1.00 15.78 O ATOM 666 CB THR A 110 53.907 -4.449 4.220 1.00 14.57 C ATOM 667 OG1 THR A 110 55.016 -5.152 4.804 1.00 14.43 O ATOM 668 CG2 THR A 110 54.033 -4.436 2.688 1.00 15.83 C ATOM 669 HG1 THR A 110 55.044 -6.076 4.449 1.00 0.00 H ATOM 670 H THR A 110 56.012 -2.773 4.843 1.00 0.00 H ATOM 671 N ASP A 111 54.464 -3.172 7.102 1.00 15.75 N ATOM 672 CA ASP A 111 54.251 -3.414 8.528 1.00 10.26 C ATOM 673 C ASP A 111 55.235 -2.624 9.368 1.00 11.83 C ATOM 674 O ASP A 111 56.376 -2.392 8.958 1.00 12.77 O ATOM 675 CB ASP A 111 54.412 -4.899 8.871 1.00 12.39 C ATOM 676 CG ASP A 111 53.416 -5.790 8.148 1.00 15.73 C ATOM 677 OD1 ASP A 111 52.474 -6.292 8.803 1.00 12.88 O ATOM 678 OD2 ASP A 111 53.587 -6.006 6.932 1.00 15.08 O ATOM 679 H ASP A 111 55.437 -3.050 6.756 1.00 0.00 H ATOM 680 N VAL A 112 54.778 -2.227 10.549 1.00 11.19 N ATOM 681 CA VAL A 112 55.633 -1.630 11.565 1.00 15.12 C ATOM 682 C VAL A 112 55.336 -2.281 12.919 1.00 16.63 C ATOM 683 O VAL A 112 54.180 -2.515 13.259 1.00 15.70 O ATOM 684 CB VAL A 112 55.423 -0.098 11.681 1.00 11.45 C ATOM 685 CG1 VAL A 112 56.251 0.485 12.811 1.00 12.42 C ATOM 686 CG2 VAL A 112 55.736 0.621 10.364 1.00 12.91 C ATOM 687 H VAL A 112 53.766 -2.347 10.758 1.00 0.00 H ATOM 688 N ILE A 113 56.387 -2.554 13.685 1.00 12.70 N ATOM 689 CA ILE A 113 56.253 -3.032 15.052 1.00 11.22 C ATOM 690 C ILE A 113 56.552 -1.865 15.999 1.00 10.59 C ATOM 691 O ILE A 113 57.648 -1.313 15.974 1.00 11.45 O ATOM 692 CB ILE A 113 57.203 -4.222 15.324 1.00 11.30 C ATOM 693 CG1 ILE A 113 56.840 -5.402 14.417 1.00 14.38 C ATOM 694 CG2 ILE A 113 57.154 -4.649 16.789 1.00 13.12 C ATOM 695 CD1 ILE A 113 57.906 -6.452 14.325 1.00 15.18 C ATOM 696 H ILE A 113 57.341 -2.421 13.292 1.00 0.00 H ATOM 697 N ILE A 114 55.565 -1.507 16.814 1.00 14.86 N ATOM 698 CA ILE A 114 55.682 -0.419 17.785 1.00 10.72 C ATOM 699 C ILE A 114 56.055 -1.002 19.151 1.00 11.61 C ATOM 700 O ILE A 114 55.324 -1.841 19.676 1.00 10.05 O ATOM 701 CB ILE A 114 54.363 0.380 17.901 1.00 13.75 C ATOM 702 CG1 ILE A 114 53.903 0.899 16.530 1.00 15.12 C ATOM 703 CG2 ILE A 114 54.507 1.541 18.888 1.00 15.16 C ATOM 704 CD1 ILE A 114 54.844 1.890 15.886 1.00 15.77 C ATOM 705 H ILE A 114 54.665 -2.026 16.759 1.00 0.00 H ATOM 706 N THR A 115 57.171 -0.546 19.725 1.00 13.13 N ATOM 707 CA THR A 115 57.759 -1.212 20.891 1.00 9.21 C ATOM 708 C THR A 115 57.403 -0.577 22.246 1.00 9.52 C ATOM 709 O THR A 115 57.630 -1.195 23.270 1.00 10.72 O ATOM 710 CB THR A 115 59.303 -1.297 20.776 1.00 10.59 C ATOM 711 OG1 THR A 115 59.897 0.015 20.741 1.00 14.24 O ATOM 712 CG2 THR A 115 59.705 -2.077 19.518 1.00 11.94 C ATOM 713 HG1 THR A 115 59.549 0.513 19.959 1.00 0.00 H ATOM 714 H THR A 115 57.633 0.301 19.336 1.00 0.00 H ATOM 715 N HIS A 116 56.875 0.644 22.243 1.00 11.89 N ATOM 716 CA HIS A 116 56.108 1.170 23.381 1.00 10.75 C ATOM 717 C HIS A 116 55.425 2.466 22.951 1.00 16.21 C ATOM 718 O HIS A 116 55.561 2.878 21.810 1.00 15.15 O ATOM 719 CB HIS A 116 56.950 1.350 24.669 1.00 10.07 C ATOM 720 CG HIS A 116 57.988 2.433 24.637 1.00 10.61 C ATOM 721 ND1 HIS A 116 59.259 2.233 24.138 1.00 10.66 N ATOM 722 CD2 HIS A 116 57.983 3.688 25.151 1.00 14.45 C ATOM 723 CE1 HIS A 116 59.968 3.336 24.287 1.00 13.04 C ATOM 724 NE2 HIS A 116 59.223 4.233 24.908 1.00 11.94 N ATOM 725 H HIS A 116 57.010 1.247 21.407 1.00 0.00 H ATOM 726 N ALA A 117 54.643 3.059 23.848 1.00 16.56 N ATOM 727 CA ALA A 117 53.717 4.130 23.478 1.00 12.38 C ATOM 728 C ALA A 117 54.231 5.543 23.761 1.00 22.10 C ATOM 729 O ALA A 117 53.438 6.443 24.013 1.00 28.65 O ATOM 730 CB ALA A 117 52.390 3.916 24.195 1.00 12.00 C ATOM 731 H ALA A 117 54.691 2.753 24.841 1.00 0.00 H ATOM 732 N HIS A 118 55.543 5.747 23.711 1.00 16.36 N ATOM 733 CA HIS A 118 56.095 7.101 23.722 1.00 16.70 C ATOM 734 C HIS A 118 56.236 7.631 22.292 1.00 16.75 C ATOM 735 O HIS A 118 56.322 6.861 21.345 1.00 18.44 O ATOM 736 CB HIS A 118 57.455 7.124 24.432 1.00 19.03 C ATOM 737 CG HIS A 118 57.362 7.097 25.927 1.00 18.89 C ATOM 738 ND1 HIS A 118 58.389 6.640 26.728 1.00 14.60 N ATOM 739 CD2 HIS A 118 56.377 7.492 26.768 1.00 17.27 C ATOM 740 CE1 HIS A 118 58.041 6.760 27.996 1.00 17.75 C ATOM 741 NE2 HIS A 118 56.823 7.266 28.047 1.00 15.42 N ATOM 742 H HIS A 118 56.187 4.932 23.663 1.00 0.00 H ATOM 743 N ALA A 119 56.297 8.953 22.153 1.00 18.16 N ATOM 744 CA ALA A 119 56.308 9.605 20.852 1.00 18.89 C ATOM 745 C ALA A 119 57.465 9.193 19.948 1.00 19.96 C ATOM 746 O ALA A 119 57.290 9.120 18.745 1.00 18.82 O ATOM 747 CB ALA A 119 56.320 11.113 21.035 1.00 27.78 C ATOM 748 H ALA A 119 56.338 9.544 23.008 1.00 0.00 H ATOM 749 N ASP A 120 58.649 8.942 20.499 1.00 17.96 N ATOM 750 CA ASP A 120 59.767 8.573 19.635 1.00 18.20 C ATOM 751 C ASP A 120 59.449 7.276 18.912 1.00 16.61 C ATOM 752 O ASP A 120 59.896 7.068 17.785 1.00 18.48 O ATOM 753 CB ASP A 120 61.090 8.471 20.422 1.00 21.20 C ATOM 754 CG ASP A 120 61.062 7.428 21.537 1.00 25.05 C ATOM 755 OD1 ASP A 120 62.138 6.842 21.804 1.00 18.79 O ATOM 756 OD2 ASP A 120 60.002 7.205 22.159 1.00 18.77 O ATOM 757 H ASP A 120 58.777 9.007 21.529 1.00 0.00 H ATOM 758 N ARG A 121 58.623 6.430 19.534 1.00 18.78 N ATOM 759 CA ARG A 121 58.214 5.147 18.935 1.00 13.48 C ATOM 760 C ARG A 121 56.996 5.241 18.021 1.00 16.26 C ATOM 761 O ARG A 121 56.976 4.657 16.926 1.00 14.86 O ATOM 762 CB ARG A 121 57.897 4.126 20.039 1.00 14.17 C ATOM 763 CG ARG A 121 59.000 3.955 21.063 1.00 10.38 C ATOM 764 CD ARG A 121 60.228 3.363 20.439 1.00 18.67 C ATOM 765 NE ARG A 121 61.373 4.262 20.483 1.00 17.82 N ATOM 766 CZ ARG A 121 62.511 4.049 19.834 1.00 25.68 C ATOM 767 NH1 ARG A 121 62.645 2.972 19.075 1.00 22.40 N ATOM 768 NH2 ARG A 121 63.514 4.912 19.945 1.00 25.49 N ATOM 769 HE ARG A 121 61.294 5.124 21.059 1.00 0.00 H ATOM 770 HH12 ARG A 121 63.536 2.803 18.565 1.00 0.00 H ATOM 771 HH11 ARG A 121 61.860 2.296 18.989 1.00 0.00 H ATOM 772 HH22 ARG A 121 64.405 4.743 19.435 1.00 0.00 H ATOM 773 HH21 ARG A 121 63.409 5.757 20.542 1.00 0.00 H ATOM 774 H ARG A 121 58.256 6.686 20.473 1.00 0.00 H ATOM 775 N ILE A 122 55.981 5.959 18.492 1.00 17.96 N ATOM 776 CA ILE A 122 54.629 5.873 17.939 1.00 18.96 C ATOM 777 C ILE A 122 54.144 7.176 17.294 1.00 19.56 C ATOM 778 O ILE A 122 53.013 7.253 16.803 1.00 15.73 O ATOM 779 CB ILE A 122 53.634 5.453 19.064 1.00 18.77 C ATOM 780 CG1 ILE A 122 52.362 4.834 18.479 1.00 21.65 C ATOM 781 CG2 ILE A 122 53.318 6.629 20.006 1.00 16.62 C ATOM 782 CD1 ILE A 122 51.495 4.152 19.518 1.00 19.74 C ATOM 783 H ILE A 122 56.155 6.608 19.286 1.00 0.00 H ATOM 784 N GLY A 123 55.002 8.193 17.290 1.00 18.67 N ATOM 785 CA GLY A 123 54.601 9.520 16.862 1.00 12.95 C ATOM 786 C GLY A 123 54.063 9.581 15.436 1.00 15.86 C ATOM 787 O GLY A 123 53.319 10.502 15.077 1.00 18.70 O ATOM 788 H GLY A 123 55.982 8.033 17.601 1.00 0.00 H ATOM 789 N GLY A 124 54.441 8.603 14.621 1.00 16.35 N ATOM 790 CA GLY A 124 54.005 8.555 13.237 1.00 13.88 C ATOM 791 C GLY A 124 52.834 7.629 12.977 1.00 15.24 C ATOM 792 O GLY A 124 52.575 7.264 11.827 1.00 17.45 O ATOM 793 H GLY A 124 55.064 7.853 14.983 1.00 0.00 H ATOM 794 N ILE A 125 52.111 7.248 14.025 1.00 15.81 N ATOM 795 CA ILE A 125 51.051 6.256 13.872 1.00 13.08 C ATOM 796 C ILE A 125 49.942 6.721 12.901 1.00 13.64 C ATOM 797 O ILE A 125 49.387 5.909 12.151 1.00 13.79 O ATOM 798 CB ILE A 125 50.446 5.880 15.254 1.00 14.43 C ATOM 799 CG1 ILE A 125 49.380 4.795 15.110 1.00 22.90 C ATOM 800 CG2 ILE A 125 49.887 7.101 15.960 1.00 12.78 C ATOM 801 CD1 ILE A 125 49.897 3.487 14.560 1.00 27.08 C ATOM 802 H ILE A 125 52.302 7.660 14.961 1.00 0.00 H ATOM 803 N LYS A 126 49.634 8.009 12.901 1.00 15.02 N ATOM 804 CA LYS A 126 48.633 8.559 11.987 1.00 14.17 C ATOM 805 C LYS A 126 49.049 8.296 10.542 1.00 15.64 C ATOM 806 O LYS A 126 48.240 7.870 9.712 1.00 15.61 O ATOM 807 CB LYS A 126 48.453 10.061 12.225 1.00 15.99 C ATOM 808 CG LYS A 126 47.458 10.756 11.276 1.00 19.29 C ATOM 809 CD LYS A 126 47.399 12.261 11.565 1.00 23.31 C ATOM 810 CE LYS A 126 46.596 13.031 10.524 1.00 40.36 C ATOM 811 NZ LYS A 126 45.135 12.772 10.631 1.00 54.80 N ATOM 812 HZ1 LYS A 126 44.953 11.757 10.493 1.00 0.00 H ATOM 813 HZ2 LYS A 126 44.801 13.060 11.573 1.00 0.00 H ATOM 814 HZ3 LYS A 126 44.633 13.318 9.902 1.00 0.00 H ATOM 815 H LYS A 126 50.116 8.645 13.568 1.00 0.00 H ATOM 816 N THR A 127 50.318 8.542 10.249 1.00 17.04 N ATOM 817 CA THR A 127 50.835 8.314 8.901 1.00 19.49 C ATOM 818 C THR A 127 50.706 6.839 8.517 1.00 17.62 C ATOM 819 O THR A 127 50.263 6.514 7.415 1.00 15.12 O ATOM 820 CB THR A 127 52.308 8.761 8.782 1.00 21.23 C ATOM 821 OG1 THR A 127 52.394 10.174 8.995 1.00 18.37 O ATOM 822 CG2 THR A 127 52.872 8.426 7.407 1.00 25.76 C ATOM 823 HG1 THR A 127 52.054 10.392 9.899 1.00 0.00 H ATOM 824 H THR A 127 50.955 8.902 10.988 1.00 0.00 H ATOM 825 N LEU A 128 51.077 5.944 9.426 1.00 13.49 N ATOM 826 CA LEU A 128 50.961 4.512 9.151 1.00 15.79 C ATOM 827 C LEU A 128 49.516 4.105 8.838 1.00 17.38 C ATOM 828 O LEU A 128 49.245 3.442 7.837 1.00 16.27 O ATOM 829 CB LEU A 128 51.471 3.691 10.335 1.00 13.94 C ATOM 830 CG LEU A 128 52.862 4.013 10.880 1.00 15.75 C ATOM 831 CD1 LEU A 128 53.234 3.000 11.957 1.00 16.49 C ATOM 832 CD2 LEU A 128 53.920 4.057 9.795 1.00 16.27 C ATOM 833 H LEU A 128 51.453 6.264 10.341 1.00 0.00 H ATOM 834 N LYS A 129 48.588 4.503 9.703 1.00 14.16 N ATOM 835 CA LYS A 129 47.197 4.087 9.548 1.00 19.65 C ATOM 836 C LYS A 129 46.612 4.545 8.225 1.00 21.03 C ATOM 837 O LYS A 129 45.930 3.773 7.544 1.00 21.23 O ATOM 838 CB LYS A 129 46.339 4.618 10.701 1.00 22.74 C ATOM 839 CG LYS A 129 46.738 4.089 12.089 1.00 31.60 C ATOM 840 CD LYS A 129 46.162 2.713 12.411 1.00 39.25 C ATOM 841 CE LYS A 129 44.654 2.740 12.634 1.00 28.35 C ATOM 842 NZ LYS A 129 44.242 2.881 14.059 1.00 28.51 N ATOM 843 HZ1 LYS A 129 44.615 2.080 14.607 1.00 0.00 H ATOM 844 HZ2 LYS A 129 44.621 3.771 14.442 1.00 0.00 H ATOM 845 HZ3 LYS A 129 43.204 2.890 14.119 1.00 0.00 H ATOM 846 H LYS A 129 48.856 5.117 10.498 1.00 0.00 H ATOM 847 N GLU A 130 46.868 5.797 7.861 1.00 15.00 N ATOM 848 CA GLU A 130 46.224 6.377 6.693 1.00 16.41 C ATOM 849 C GLU A 130 46.841 5.845 5.398 1.00 14.88 C ATOM 850 O GLU A 130 46.202 5.902 4.350 1.00 15.84 O ATOM 851 CB GLU A 130 46.293 7.906 6.733 1.00 18.99 C ATOM 852 CG GLU A 130 47.660 8.508 6.496 1.00 18.12 C ATOM 853 CD GLU A 130 47.687 9.996 6.776 1.00 26.78 C ATOM 854 OE1 GLU A 130 46.646 10.548 7.189 1.00 26.21 O ATOM 855 OE2 GLU A 130 48.752 10.619 6.588 1.00 24.53 O ATOM 856 H GLU A 130 47.536 6.368 8.417 1.00 0.00 H ATOM 857 N ARG A 131 48.055 5.302 5.488 1.00 15.73 N ATOM 858 CA ARG A 131 48.717 4.709 4.322 1.00 15.84 C ATOM 859 C ARG A 131 48.468 3.206 4.195 1.00 16.69 C ATOM 860 O ARG A 131 48.916 2.579 3.230 1.00 18.26 O ATOM 861 CB ARG A 131 50.221 4.976 4.377 1.00 15.67 C ATOM 862 CG ARG A 131 50.559 6.424 4.104 1.00 20.83 C ATOM 863 CD ARG A 131 52.033 6.650 3.866 1.00 19.94 C ATOM 864 NE ARG A 131 52.310 8.080 3.796 1.00 19.77 N ATOM 865 CZ ARG A 131 53.416 8.614 3.296 1.00 22.09 C ATOM 866 NH1 ARG A 131 54.378 7.837 2.821 1.00 21.19 N ATOM 867 NH2 ARG A 131 53.563 9.932 3.292 1.00 18.72 N ATOM 868 HE ARG A 131 51.586 8.729 4.166 1.00 0.00 H ATOM 869 HH12 ARG A 131 55.243 8.261 2.430 1.00 0.00 H ATOM 870 HH11 ARG A 131 54.268 6.803 2.839 1.00 0.00 H ATOM 871 HH22 ARG A 131 54.428 10.358 2.901 1.00 0.00 H ATOM 872 HH21 ARG A 131 52.813 10.540 3.679 1.00 0.00 H ATOM 873 H ARG A 131 48.544 5.299 6.406 1.00 0.00 H ATOM 874 N GLY A 132 47.750 2.632 5.156 1.00 13.46 N ATOM 875 CA GLY A 132 47.441 1.212 5.135 1.00 13.56 C ATOM 876 C GLY A 132 48.621 0.341 5.543 1.00 16.22 C ATOM 877 O GLY A 132 48.707 -0.830 5.157 1.00 18.20 O ATOM 878 H GLY A 132 47.400 3.215 5.943 1.00 0.00 H ATOM 879 N ILE A 133 49.528 0.929 6.317 1.00 13.64 N ATOM 880 CA ILE A 133 50.638 0.215 6.944 1.00 15.30 C ATOM 881 C ILE A 133 50.200 -0.389 8.277 1.00 16.76 C ATOM 882 O ILE A 133 49.736 0.328 9.164 1.00 19.53 O ATOM 883 CB ILE A 133 51.830 1.156 7.163 1.00 14.41 C ATOM 884 CG1 ILE A 133 52.307 1.716 5.816 1.00 16.07 C ATOM 885 CG2 ILE A 133 52.971 0.442 7.902 1.00 13.82 C ATOM 886 CD1 ILE A 133 53.276 2.879 5.935 1.00 14.66 C ATOM 887 H ILE A 133 49.443 1.952 6.485 1.00 0.00 H ATOM 888 N LYS A 134 50.338 -1.709 8.408 1.00 16.89 N ATOM 889 CA LYS A 134 49.900 -2.406 9.619 1.00 17.62 C ATOM 890 C LYS A 134 50.819 -2.075 10.784 1.00 14.17 C ATOM 891 O LYS A 134 52.025 -2.298 10.714 1.00 16.92 O ATOM 892 CB LYS A 134 49.869 -3.919 9.404 1.00 16.05 C ATOM 893 CG LYS A 134 48.994 -4.384 8.268 1.00 21.39 C ATOM 894 CD LYS A 134 49.128 -5.885 8.087 1.00 36.90 C ATOM 895 CE LYS A 134 48.187 -6.423 7.020 1.00 49.65 C ATOM 896 NZ LYS A 134 48.788 -6.374 5.659 1.00 47.58 N ATOM 897 HZ1 LYS A 134 49.019 -5.389 5.418 1.00 0.00 H ATOM 898 HZ2 LYS A 134 49.655 -6.948 5.643 1.00 0.00 H ATOM 899 HZ3 LYS A 134 48.109 -6.751 4.968 1.00 0.00 H ATOM 900 H LYS A 134 50.766 -2.255 7.633 1.00 0.00 H ATOM 901 N ALA A 135 50.236 -1.533 11.849 1.00 14.94 N ATOM 902 CA ALA A 135 50.987 -1.121 13.031 1.00 12.24 C ATOM 903 C ALA A 135 50.756 -2.118 14.153 1.00 12.87 C ATOM 904 O ALA A 135 49.710 -2.095 14.808 1.00 15.22 O ATOM 905 CB ALA A 135 50.574 0.281 13.469 1.00 18.14 C ATOM 906 H ALA A 135 49.205 -1.397 11.840 1.00 0.00 H ATOM 907 N HIS A 136 51.734 -2.999 14.353 1.00 12.77 N ATOM 908 CA HIS A 136 51.649 -4.055 15.342 1.00 9.70 C ATOM 909 C HIS A 136 52.067 -3.555 16.729 1.00 11.71 C ATOM 910 O HIS A 136 52.961 -2.714 16.861 1.00 12.44 O ATOM 911 CB HIS A 136 52.528 -5.249 14.928 1.00 12.07 C ATOM 912 CG HIS A 136 52.215 -5.795 13.571 1.00 10.08 C ATOM 913 ND1 HIS A 136 51.227 -6.730 13.353 1.00 17.05 N ATOM 914 CD2 HIS A 136 52.763 -5.538 12.358 1.00 13.65 C ATOM 915 CE1 HIS A 136 51.166 -7.012 12.064 1.00 13.82 C ATOM 916 NE2 HIS A 136 52.087 -6.302 11.438 1.00 15.66 N ATOM 917 H HIS A 136 52.596 -2.926 13.775 1.00 0.00 H ATOM 918 N SER A 137 51.423 -4.089 17.760 1.00 13.65 N ATOM 919 CA SER A 137 51.779 -3.751 19.140 1.00 10.97 C ATOM 920 C SER A 137 51.113 -4.719 20.084 1.00 12.98 C ATOM 921 O SER A 137 50.202 -5.448 19.691 1.00 14.14 O ATOM 922 CB SER A 137 51.342 -2.324 19.488 1.00 11.29 C ATOM 923 OG SER A 137 49.940 -2.268 19.672 1.00 14.09 O ATOM 924 HG SER A 137 49.681 -2.874 20.411 1.00 0.00 H ATOM 925 H SER A 137 50.649 -4.761 17.584 1.00 0.00 H ATOM 926 N THR A 138 51.533 -4.703 21.340 1.00 13.15 N ATOM 927 CA THR A 138 50.805 -5.431 22.365 1.00 12.66 C ATOM 928 C THR A 138 49.495 -4.703 22.639 1.00 12.85 C ATOM 929 O THR A 138 49.334 -3.528 22.280 1.00 10.82 O ATOM 930 CB THR A 138 51.596 -5.531 23.664 1.00 12.22 C ATOM 931 OG1 THR A 138 51.778 -4.207 24.189 1.00 12.42 O ATOM 932 CG2 THR A 138 52.943 -6.205 23.424 1.00 10.36 C ATOM 933 HG1 THR A 138 52.291 -4.256 25.034 1.00 0.00 H ATOM 934 H THR A 138 52.387 -4.167 21.594 1.00 0.00 H ATOM 935 N ALA A 139 48.559 -5.386 23.284 1.00 12.08 N ATOM 936 CA ALA A 139 47.310 -4.738 23.672 1.00 13.73 C ATOM 937 C ALA A 139 47.589 -3.605 24.665 1.00 12.78 C ATOM 938 O ALA A 139 46.929 -2.560 24.631 1.00 13.27 O ATOM 939 CB ALA A 139 46.334 -5.749 24.270 1.00 16.59 C ATOM 940 H ALA A 139 48.716 -6.388 23.514 1.00 0.00 H ATOM 941 N LEU A 140 48.567 -3.806 25.545 1.00 14.37 N ATOM 942 CA LEU A 140 48.876 -2.789 26.544 1.00 12.59 C ATOM 943 C LEU A 140 49.421 -1.529 25.859 1.00 11.91 C ATOM 944 O LEU A 140 49.038 -0.411 26.201 1.00 12.42 O ATOM 945 CB LEU A 140 49.868 -3.329 27.573 1.00 12.77 C ATOM 946 CG LEU A 140 50.292 -2.372 28.690 1.00 13.39 C ATOM 947 CD1 LEU A 140 49.100 -1.858 29.503 1.00 14.09 C ATOM 948 CD2 LEU A 140 51.291 -3.064 29.601 1.00 14.16 C ATOM 949 H LEU A 140 49.113 -4.691 25.520 1.00 0.00 H ATOM 950 N THR A 141 50.310 -1.710 24.889 1.00 12.23 N ATOM 951 CA THR A 141 50.849 -0.565 24.147 1.00 15.11 C ATOM 952 C THR A 141 49.712 0.202 23.469 1.00 15.47 C ATOM 953 O THR A 141 49.662 1.428 23.523 1.00 13.05 O ATOM 954 CB THR A 141 51.903 -1.009 23.104 1.00 9.68 C ATOM 955 OG1 THR A 141 53.033 -1.534 23.802 1.00 10.56 O ATOM 956 CG2 THR A 141 52.356 0.159 22.205 1.00 12.54 C ATOM 957 HG1 THR A 141 53.718 -1.823 23.148 1.00 0.00 H ATOM 958 H THR A 141 50.627 -2.672 24.653 1.00 0.00 H ATOM 959 N ALA A 142 48.779 -0.526 22.865 1.00 13.11 N ATOM 960 CA ALA A 142 47.628 0.097 22.218 1.00 15.74 C ATOM 961 C ALA A 142 46.764 0.890 23.209 1.00 14.85 C ATOM 962 O ALA A 142 46.323 2.004 22.910 1.00 15.63 O ATOM 963 CB ALA A 142 46.785 -0.960 21.520 1.00 14.50 C ATOM 964 H ALA A 142 48.871 -1.562 22.853 1.00 0.00 H ATOM 965 N GLU A 143 46.518 0.307 24.377 1.00 16.37 N ATOM 966 CA GLU A 143 45.706 0.939 25.413 1.00 20.51 C ATOM 967 C GLU A 143 46.344 2.258 25.859 1.00 22.63 C ATOM 968 O GLU A 143 45.667 3.290 25.973 1.00 20.54 O ATOM 969 CB GLU A 143 45.545 -0.020 26.605 1.00 19.70 C ATOM 970 CG GLU A 143 44.489 0.380 27.632 1.00 18.26 C ATOM 971 CD GLU A 143 44.320 -0.658 28.728 1.00 20.35 C ATOM 972 OE1 GLU A 143 45.263 -1.454 28.929 1.00 23.59 O ATOM 973 OE2 GLU A 143 43.251 -0.685 29.381 1.00 22.77 O ATOM 974 H GLU A 143 46.919 -0.635 24.560 1.00 0.00 H ATOM 975 N LEU A 144 47.644 2.206 26.123 1.00 20.79 N ATOM 976 CA LEU A 144 48.368 3.383 26.575 1.00 20.58 C ATOM 977 C LEU A 144 48.403 4.436 25.482 1.00 19.06 C ATOM 978 O LEU A 144 48.293 5.625 25.762 1.00 21.55 O ATOM 979 CB LEU A 144 49.792 3.012 26.999 1.00 16.22 C ATOM 980 CG LEU A 144 49.908 2.098 28.221 1.00 15.62 C ATOM 981 CD1 LEU A 144 51.339 1.665 28.396 1.00 15.86 C ATOM 982 CD2 LEU A 144 49.413 2.760 29.489 1.00 16.53 C ATOM 983 H LEU A 144 48.154 1.307 26.004 1.00 0.00 H ATOM 984 N ALA A 145 48.557 3.994 24.239 1.00 17.65 N ATOM 985 CA ALA A 145 48.526 4.903 23.102 1.00 15.15 C ATOM 986 C ALA A 145 47.204 5.665 23.072 1.00 21.48 C ATOM 987 O ALA A 145 47.186 6.893 22.963 1.00 20.23 O ATOM 988 CB ALA A 145 48.729 4.140 21.809 1.00 15.80 C ATOM 989 H ALA A 145 48.703 2.978 24.074 1.00 0.00 H ATOM 990 N LYS A 146 46.103 4.928 23.196 1.00 22.20 N ATOM 991 CA LYS A 146 44.774 5.532 23.176 1.00 26.14 C ATOM 992 C LYS A 146 44.590 6.494 24.343 1.00 21.66 C ATOM 993 O LYS A 146 44.038 7.587 24.188 1.00 22.86 O ATOM 994 CB LYS A 146 43.690 4.450 23.223 1.00 25.14 C ATOM 995 CG LYS A 146 42.276 5.011 23.177 1.00 25.93 C ATOM 996 CD LYS A 146 41.231 3.916 23.240 1.00 26.75 C ATOM 997 CE LYS A 146 39.852 4.452 22.883 1.00 39.64 C ATOM 998 NZ LYS A 146 38.818 3.395 23.003 1.00 51.47 N ATOM 999 HZ1 LYS A 146 39.048 2.612 22.358 1.00 0.00 H ATOM 1000 HZ2 LYS A 146 38.795 3.044 23.982 1.00 0.00 H ATOM 1001 HZ3 LYS A 146 37.889 3.791 22.753 1.00 0.00 H ATOM 1002 H LYS A 146 46.191 3.898 23.310 1.00 0.00 H ATOM 1003 N LYS A 147 45.048 6.071 25.514 1.00 25.28 N ATOM 1004 CA LYS A 147 44.941 6.879 26.719 1.00 31.56 C ATOM 1005 C LYS A 147 45.666 8.219 26.549 1.00 24.04 C ATOM 1006 O LYS A 147 45.244 9.238 27.095 1.00 26.48 O ATOM 1007 CB LYS A 147 45.506 6.110 27.923 1.00 28.43 C ATOM 1008 CG LYS A 147 45.261 6.810 29.242 1.00 32.70 C ATOM 1009 CD LYS A 147 45.291 5.859 30.433 1.00 44.49 C ATOM 1010 CE LYS A 147 46.701 5.495 30.849 1.00 42.69 C ATOM 1011 NZ LYS A 147 46.704 4.764 32.154 1.00 52.21 N ATOM 1012 HZ1 LYS A 147 46.284 5.368 32.889 1.00 0.00 H ATOM 1013 HZ2 LYS A 147 46.147 3.890 32.062 1.00 0.00 H ATOM 1014 HZ3 LYS A 147 47.682 4.527 32.415 1.00 0.00 H ATOM 1015 H LYS A 147 45.497 5.135 25.572 1.00 0.00 H ATOM 1016 N ASN A 148 46.750 8.210 25.779 1.00 23.87 N ATOM 1017 CA ASN A 148 47.567 9.404 25.582 1.00 21.50 C ATOM 1018 C ASN A 148 47.220 10.144 24.285 1.00 22.74 C ATOM 1019 O ASN A 148 47.901 11.095 23.899 1.00 25.15 O ATOM 1020 CB ASN A 148 49.051 9.022 25.607 1.00 23.85 C ATOM 1021 CG ASN A 148 49.485 8.452 26.963 1.00 29.08 C ATOM 1022 OD1 ASN A 148 50.221 7.472 27.033 1.00 27.80 O ATOM 1023 ND2 ASN A 148 49.010 9.060 28.042 1.00 38.54 N ATOM 1024 HD22 ASN A 148 48.389 9.888 27.941 1.00 0.00 H ATOM 1025 HD21 ASN A 148 49.259 8.709 28.989 1.00 0.00 H ATOM 1026 H ASN A 148 47.024 7.327 25.303 1.00 0.00 H ATOM 1027 N GLY A 149 46.147 9.718 23.624 1.00 24.19 N ATOM 1028 CA GLY A 149 45.591 10.478 22.516 1.00 26.35 C ATOM 1029 C GLY A 149 46.176 10.164 21.154 1.00 26.74 C ATOM 1030 O GLY A 149 45.930 10.894 20.193 1.00 30.58 O ATOM 1031 H GLY A 149 45.697 8.824 23.905 1.00 0.00 H ATOM 1032 N TYR A 150 46.951 9.088 21.058 1.00 21.97 N ATOM 1033 CA TYR A 150 47.466 8.647 19.769 1.00 20.39 C ATOM 1034 C TYR A 150 46.486 7.684 19.129 1.00 19.40 C ATOM 1035 O TYR A 150 45.704 7.031 19.811 1.00 22.63 O ATOM 1036 CB TYR A 150 48.827 7.966 19.911 1.00 24.58 C ATOM 1037 CG TYR A 150 49.952 8.902 20.263 1.00 30.38 C ATOM 1038 CD1 TYR A 150 50.477 9.774 19.319 1.00 23.78 C ATOM 1039 CD2 TYR A 150 50.500 8.907 21.537 1.00 40.18 C ATOM 1040 CE1 TYR A 150 51.514 10.635 19.641 1.00 31.12 C ATOM 1041 CE2 TYR A 150 51.535 9.762 21.867 1.00 41.99 C ATOM 1042 CZ TYR A 150 52.038 10.623 20.914 1.00 39.93 C ATOM 1043 OH TYR A 150 53.067 11.470 21.241 1.00 51.93 O ATOM 1044 HH TYR A 150 53.307 12.016 20.451 1.00 0.00 H ATOM 1045 H TYR A 150 47.193 8.553 21.916 1.00 0.00 H ATOM 1046 N GLU A 151 46.540 7.581 17.811 1.00 20.27 N ATOM 1047 CA GLU A 151 45.739 6.589 17.124 1.00 18.09 C ATOM 1048 C GLU A 151 46.247 5.215 17.534 1.00 18.02 C ATOM 1049 O GLU A 151 47.407 5.067 17.925 1.00 16.75 O ATOM 1050 CB GLU A 151 45.795 6.805 15.615 1.00 19.26 C ATOM 1051 CG GLU A 151 45.066 8.084 15.205 1.00 35.16 C ATOM 1052 CD GLU A 151 45.039 8.309 13.708 1.00 32.63 C ATOM 1053 OE1 GLU A 151 45.036 7.319 12.958 1.00 29.82 O ATOM 1054 OE2 GLU A 151 45.015 9.482 13.284 1.00 45.28 O ATOM 1055 H GLU A 151 47.160 8.214 17.267 1.00 0.00 H ATOM 1056 N GLU A 152 45.359 4.229 17.489 1.00 16.88 N ATOM 1057 CA GLU A 152 45.635 2.917 18.051 1.00 19.74 C ATOM 1058 C GLU A 152 46.323 1.962 17.080 1.00 15.12 C ATOM 1059 O GLU A 152 45.857 1.764 15.953 1.00 15.64 O ATOM 1060 CB GLU A 152 44.339 2.261 18.522 1.00 27.63 C ATOM 1061 CG GLU A 152 44.033 2.417 19.993 1.00 37.91 C ATOM 1062 CD GLU A 152 42.811 1.611 20.398 1.00 35.00 C ATOM 1063 OE1 GLU A 152 42.948 0.390 20.645 1.00 35.15 O ATOM 1064 OE2 GLU A 152 41.713 2.200 20.454 1.00 34.40 O ATOM 1065 H GLU A 152 44.438 4.401 17.038 1.00 0.00 H ATOM 1066 N PRO A 153 47.436 1.353 17.519 1.00 18.54 N ATOM 1067 CA PRO A 153 47.960 0.207 16.781 1.00 12.35 C ATOM 1068 C PRO A 153 47.115 -1.034 17.071 1.00 15.93 C ATOM 1069 O PRO A 153 46.148 -0.970 17.846 1.00 15.99 O ATOM 1070 CB PRO A 153 49.395 0.067 17.307 1.00 18.46 C ATOM 1071 CG PRO A 153 49.382 0.717 18.635 1.00 19.41 C ATOM 1072 CD PRO A 153 48.307 1.746 18.644 1.00 18.75 C ATOM 1073 N LEU A 154 47.494 -2.160 16.481 1.00 15.40 N ATOM 1074 CA LEU A 154 46.611 -3.328 16.403 1.00 13.88 C ATOM 1075 C LEU A 154 46.388 -4.079 17.715 1.00 12.35 C ATOM 1076 O LEU A 154 45.362 -4.726 17.886 1.00 13.63 O ATOM 1077 CB LEU A 154 47.165 -4.310 15.368 1.00 15.28 C ATOM 1078 CG LEU A 154 47.090 -3.857 13.911 1.00 23.75 C ATOM 1079 CD1 LEU A 154 47.971 -4.743 13.043 1.00 23.53 C ATOM 1080 CD2 LEU A 154 45.651 -3.880 13.413 1.00 23.91 C ATOM 1081 H LEU A 154 48.444 -2.216 16.062 1.00 0.00 H ATOM 1082 N GLY A 155 47.342 -4.016 18.637 1.00 13.67 N ATOM 1083 CA GLY A 155 47.230 -4.775 19.873 1.00 14.47 C ATOM 1084 C GLY A 155 47.230 -6.282 19.641 1.00 16.05 C ATOM 1085 O GLY A 155 46.588 -7.031 20.368 1.00 14.94 O ATOM 1086 H GLY A 155 48.177 -3.418 18.474 1.00 0.00 H ATOM 1087 N ASP A 156 47.978 -6.731 18.638 1.00 13.14 N ATOM 1088 CA ASP A 156 47.955 -8.135 18.228 1.00 16.02 C ATOM 1089 C ASP A 156 49.079 -8.976 18.829 1.00 14.51 C ATOM 1090 O ASP A 156 49.008 -10.206 18.827 1.00 16.77 O ATOM 1091 CB ASP A 156 48.006 -8.238 16.704 1.00 13.79 C ATOM 1092 CG ASP A 156 49.196 -7.507 16.085 1.00 15.07 C ATOM 1093 OD1 ASP A 156 49.677 -6.501 16.650 1.00 15.13 O ATOM 1094 OD2 ASP A 156 49.630 -7.925 14.983 1.00 16.13 O ATOM 1095 H ASP A 156 48.596 -6.066 18.131 1.00 0.00 H ATOM 1096 N LEU A 157 50.106 -8.312 19.340 1.00 13.68 N ATOM 1097 CA LEU A 157 51.275 -9.005 19.876 1.00 14.87 C ATOM 1098 C LEU A 157 51.010 -9.539 21.277 1.00 16.33 C ATOM 1099 O LEU A 157 50.479 -8.831 22.134 1.00 15.56 O ATOM 1100 CB LEU A 157 52.491 -8.072 19.891 1.00 13.68 C ATOM 1101 CG LEU A 157 52.881 -7.471 18.536 1.00 16.50 C ATOM 1102 CD1 LEU A 157 54.106 -6.594 18.685 1.00 15.93 C ATOM 1103 CD2 LEU A 157 53.115 -8.563 17.486 1.00 18.72 C ATOM 1104 H LEU A 157 50.079 -7.273 19.360 1.00 0.00 H ATOM 1105 N GLN A 158 51.376 -10.801 21.487 1.00 18.80 N ATOM 1106 CA GLN A 158 51.272 -11.449 22.791 1.00 17.53 C ATOM 1107 C GLN A 158 52.587 -11.280 23.551 1.00 17.23 C ATOM 1108 O GLN A 158 53.404 -10.440 23.185 1.00 23.20 O ATOM 1109 CB GLN A 158 50.931 -12.924 22.622 1.00 20.62 C ATOM 1110 CG GLN A 158 49.697 -13.165 21.769 1.00 23.73 C ATOM 1111 CD GLN A 158 48.519 -12.359 22.256 1.00 32.95 C ATOM 1112 OE1 GLN A 158 48.030 -12.563 23.368 1.00 38.70 O ATOM 1113 NE2 GLN A 158 48.076 -11.410 21.443 1.00 36.88 N ATOM 1114 HE22 GLN A 158 48.520 -11.274 20.512 1.00 0.00 H ATOM 1115 HE21 GLN A 158 47.285 -10.802 21.736 1.00 0.00 H ATOM 1116 H GLN A 158 51.752 -11.349 20.688 1.00 0.00 H ATOM 1117 N THR A 159 52.797 -12.066 24.601 1.00 16.09 N ATOM 1118 CA THR A 159 54.055 -11.978 25.342 1.00 18.33 C ATOM 1119 C THR A 159 55.199 -12.416 24.441 1.00 16.90 C ATOM 1120 O THR A 159 56.254 -11.791 24.415 1.00 15.92 O ATOM 1121 CB THR A 159 54.012 -12.821 26.626 1.00 25.68 C ATOM 1122 OG1 THR A 159 53.092 -12.210 27.532 1.00 24.36 O ATOM 1123 CG2 THR A 159 55.386 -12.900 27.296 1.00 19.03 C ATOM 1124 HG1 THR A 159 52.194 -12.177 27.116 1.00 0.00 H ATOM 1125 H THR A 159 52.066 -12.745 24.896 1.00 0.00 H ATOM 1126 N VAL A 160 54.961 -13.490 23.697 1.00 14.71 N ATOM 1127 CA VAL A 160 55.862 -13.958 22.649 1.00 19.20 C ATOM 1128 C VAL A 160 55.051 -14.100 21.354 1.00 15.40 C ATOM 1129 O VAL A 160 54.070 -14.825 21.323 1.00 16.55 O ATOM 1130 CB VAL A 160 56.526 -15.317 23.015 1.00 25.38 C ATOM 1131 CG1 VAL A 160 57.319 -15.883 21.836 1.00 26.58 C ATOM 1132 CG2 VAL A 160 57.435 -15.165 24.233 1.00 21.75 C ATOM 1133 H VAL A 160 54.087 -14.026 23.870 1.00 0.00 H ATOM 1134 N THR A 161 55.456 -13.394 20.303 1.00 14.98 N ATOM 1135 CA THR A 161 54.829 -13.535 18.995 1.00 18.28 C ATOM 1136 C THR A 161 55.894 -13.744 17.937 1.00 17.17 C ATOM 1137 O THR A 161 56.903 -13.034 17.902 1.00 18.46 O ATOM 1138 CB THR A 161 53.980 -12.308 18.647 1.00 15.48 C ATOM 1139 OG1 THR A 161 52.899 -12.223 19.579 1.00 17.36 O ATOM 1140 CG2 THR A 161 53.423 -12.390 17.222 1.00 16.47 C ATOM 1141 HG1 THR A 161 52.348 -13.043 19.519 1.00 0.00 H ATOM 1142 H THR A 161 56.242 -12.723 20.417 1.00 0.00 H ATOM 1143 N ASN A 162 55.659 -14.737 17.092 1.00 19.40 N ATOM 1144 CA ASN A 162 56.535 -15.018 15.971 1.00 19.62 C ATOM 1145 C ASN A 162 55.861 -14.673 14.663 1.00 20.95 C ATOM 1146 O ASN A 162 54.786 -15.180 14.346 1.00 20.89 O ATOM 1147 CB ASN A 162 56.976 -16.473 16.001 1.00 19.24 C ATOM 1148 CG ASN A 162 58.135 -16.683 16.953 1.00 29.90 C ATOM 1149 OD1 ASN A 162 59.293 -16.444 16.600 1.00 32.11 O ATOM 1150 ND2 ASN A 162 57.828 -17.088 18.177 1.00 27.65 N ATOM 1151 HD22 ASN A 162 56.837 -17.277 18.429 1.00 0.00 H ATOM 1152 HD21 ASN A 162 58.578 -17.216 18.886 1.00 0.00 H ATOM 1153 H ASN A 162 54.820 -15.334 17.237 1.00 0.00 H ATOM 1154 N LEU A 163 56.507 -13.763 13.941 1.00 21.70 N ATOM 1155 CA LEU A 163 56.053 -13.289 12.653 1.00 21.03 C ATOM 1156 C LEU A 163 57.039 -13.716 11.572 1.00 24.69 C ATOM 1157 O LEU A 163 58.196 -14.031 11.851 1.00 24.86 O ATOM 1158 CB LEU A 163 55.919 -11.769 12.670 1.00 20.92 C ATOM 1159 CG LEU A 163 55.114 -11.192 13.841 1.00 25.27 C ATOM 1160 CD1 LEU A 163 55.240 -9.680 13.883 1.00 35.21 C ATOM 1161 CD2 LEU A 163 53.662 -11.602 13.716 1.00 24.98 C ATOM 1162 H LEU A 163 57.390 -13.369 14.325 1.00 0.00 H ATOM 1163 N LYS A 164 56.574 -13.716 10.333 1.00 22.12 N ATOM 1164 CA LYS A 164 57.440 -13.986 9.202 1.00 21.61 C ATOM 1165 C LYS A 164 57.009 -13.127 8.029 1.00 25.73 C ATOM 1166 O LYS A 164 55.847 -13.156 7.627 1.00 25.15 O ATOM 1167 CB LYS A 164 57.398 -15.465 8.834 1.00 26.93 C ATOM 1168 CG LYS A 164 58.545 -15.918 7.957 1.00 32.12 C ATOM 1169 CD LYS A 164 58.351 -17.369 7.566 1.00 32.60 C ATOM 1170 CE LYS A 164 59.586 -17.967 6.942 1.00 39.49 C ATOM 1171 NZ LYS A 164 59.403 -19.431 6.731 1.00 46.85 N ATOM 1172 HZ1 LYS A 164 59.227 -19.893 7.646 1.00 0.00 H ATOM 1173 HZ2 LYS A 164 58.592 -19.590 6.100 1.00 0.00 H ATOM 1174 HZ3 LYS A 164 60.262 -19.828 6.300 1.00 0.00 H ATOM 1175 H LYS A 164 55.567 -13.518 10.167 1.00 0.00 H ATOM 1176 N PHE A 165 57.952 -12.359 7.495 1.00 22.83 N ATOM 1177 CA PHE A 165 57.697 -11.475 6.369 1.00 21.54 C ATOM 1178 C PHE A 165 58.612 -11.882 5.234 1.00 28.22 C ATOM 1179 O PHE A 165 59.817 -11.635 5.278 1.00 28.45 O ATOM 1180 CB PHE A 165 57.928 -10.019 6.762 1.00 23.58 C ATOM 1181 CG PHE A 165 57.132 -9.579 7.956 1.00 25.67 C ATOM 1182 CD1 PHE A 165 55.834 -9.121 7.810 1.00 24.77 C ATOM 1183 CD2 PHE A 165 57.689 -9.606 9.222 1.00 23.75 C ATOM 1184 CE1 PHE A 165 55.101 -8.709 8.908 1.00 21.45 C ATOM 1185 CE2 PHE A 165 56.963 -9.199 10.324 1.00 25.86 C ATOM 1186 CZ PHE A 165 55.665 -8.747 10.163 1.00 21.72 C ATOM 1187 H PHE A 165 58.910 -12.391 7.898 1.00 0.00 H ATOM 1188 N GLY A 166 58.035 -12.518 4.218 1.00 29.75 N ATOM 1189 CA GLY A 166 58.824 -13.160 3.188 1.00 29.57 C ATOM 1190 C GLY A 166 59.642 -14.250 3.846 1.00 27.85 C ATOM 1191 O GLY A 166 59.081 -15.179 4.429 1.00 33.28 O ATOM 1192 H GLY A 166 56.997 -12.555 4.163 1.00 0.00 H ATOM 1193 N ASN A 167 60.965 -14.120 3.784 1.00 27.58 N ATOM 1194 CA ASN A 167 61.858 -15.050 4.467 1.00 34.03 C ATOM 1195 C ASN A 167 62.334 -14.518 5.822 1.00 35.01 C ATOM 1196 O ASN A 167 63.017 -15.225 6.556 1.00 32.10 O ATOM 1197 CB ASN A 167 63.069 -15.363 3.582 1.00 35.12 C ATOM 1198 CG ASN A 167 63.896 -16.525 4.114 1.00 46.66 C ATOM 1199 OD1 ASN A 167 63.349 -17.528 4.579 1.00 48.43 O ATOM 1200 ND2 ASN A 167 65.219 -16.386 4.063 1.00 43.21 N ATOM 1201 HD22 ASN A 167 65.636 -15.522 3.662 1.00 0.00 H ATOM 1202 HD21 ASN A 167 65.836 -17.142 4.424 1.00 0.00 H ATOM 1203 H ASN A 167 61.372 -13.336 3.235 1.00 0.00 H ATOM 1204 N MET A 168 61.964 -13.281 6.152 1.00 22.32 N ATOM 1205 CA MET A 168 62.441 -12.624 7.372 1.00 22.25 C ATOM 1206 C MET A 168 61.645 -13.053 8.600 1.00 25.18 C ATOM 1207 O MET A 168 60.446 -12.774 8.706 1.00 20.66 O ATOM 1208 CB MET A 168 62.364 -11.101 7.218 1.00 19.78 C ATOM 1209 CG MET A 168 62.830 -10.299 8.437 1.00 22.23 C ATOM 1210 SD MET A 168 64.588 -10.470 8.775 1.00 24.36 S ATOM 1211 CE MET A 168 65.293 -9.591 7.373 1.00 24.46 C ATOM 1212 H MET A 168 61.316 -12.765 5.523 1.00 0.00 H ATOM 1213 N LYS A 169 62.322 -13.726 9.526 1.00 20.71 N ATOM 1214 CA LYS A 169 61.701 -14.146 10.779 1.00 19.17 C ATOM 1215 C LYS A 169 61.881 -13.065 11.830 1.00 17.52 C ATOM 1216 O LYS A 169 62.977 -12.518 12.000 1.00 19.14 O ATOM 1217 CB LYS A 169 62.295 -15.470 11.273 1.00 20.24 C ATOM 1218 CG LYS A 169 61.932 -16.664 10.410 1.00 22.09 C ATOM 1219 CD LYS A 169 62.555 -17.941 10.938 1.00 33.91 C ATOM 1220 CE LYS A 169 62.217 -19.126 10.048 1.00 40.58 C ATOM 1221 NZ LYS A 169 62.907 -20.375 10.481 1.00 48.02 N ATOM 1222 HZ1 LYS A 169 63.936 -20.230 10.448 1.00 0.00 H ATOM 1223 HZ2 LYS A 169 62.620 -20.609 11.453 1.00 0.00 H ATOM 1224 HZ3 LYS A 169 62.645 -21.154 9.843 1.00 0.00 H ATOM 1225 H LYS A 169 63.321 -13.959 9.353 1.00 0.00 H ATOM 1226 N VAL A 170 60.793 -12.764 12.533 1.00 18.80 N ATOM 1227 CA VAL A 170 60.786 -11.743 13.569 1.00 16.76 C ATOM 1228 C VAL A 170 60.054 -12.266 14.797 1.00 18.61 C ATOM 1229 O VAL A 170 58.916 -12.728 14.699 1.00 19.73 O ATOM 1230 CB VAL A 170 60.111 -10.440 13.082 1.00 25.74 C ATOM 1231 CG1 VAL A 170 60.088 -9.386 14.196 1.00 20.73 C ATOM 1232 CG2 VAL A 170 60.829 -9.901 11.852 1.00 22.04 C ATOM 1233 H VAL A 170 59.912 -13.279 12.334 1.00 0.00 H ATOM 1234 N GLU A 171 60.719 -12.218 15.947 1.00 17.15 N ATOM 1235 CA GLU A 171 60.072 -12.546 17.210 1.00 17.68 C ATOM 1236 C GLU A 171 59.945 -11.289 18.057 1.00 14.04 C ATOM 1237 O GLU A 171 60.903 -10.514 18.181 1.00 15.78 O ATOM 1238 CB GLU A 171 60.854 -13.621 17.967 1.00 20.53 C ATOM 1239 CG GLU A 171 60.276 -13.964 19.341 1.00 16.85 C ATOM 1240 CD GLU A 171 60.990 -15.119 20.013 1.00 19.02 C ATOM 1241 OE1 GLU A 171 62.003 -14.874 20.696 1.00 24.30 O ATOM 1242 OE2 GLU A 171 60.540 -16.276 19.860 1.00 29.29 O ATOM 1243 H GLU A 171 61.721 -11.941 15.945 1.00 0.00 H ATOM 1244 N THR A 172 58.765 -11.089 18.644 1.00 12.56 N ATOM 1245 CA THR A 172 58.562 -10.011 19.613 1.00 12.69 C ATOM 1246 C THR A 172 58.386 -10.622 20.999 1.00 11.73 C ATOM 1247 O THR A 172 57.789 -11.686 21.146 1.00 12.69 O ATOM 1248 CB THR A 172 57.337 -9.122 19.266 1.00 12.31 C ATOM 1249 OG1 THR A 172 56.124 -9.855 19.457 1.00 12.90 O ATOM 1250 CG2 THR A 172 57.420 -8.643 17.834 1.00 11.55 C ATOM 1251 HG1 THR A 172 56.059 -10.142 20.402 1.00 0.00 H ATOM 1252 H THR A 172 57.969 -11.715 18.407 1.00 0.00 H ATOM 1253 N PHE A 173 58.929 -9.947 22.006 1.00 13.49 N ATOM 1254 CA PHE A 173 58.989 -10.494 23.352 1.00 15.34 C ATOM 1255 C PHE A 173 58.727 -9.400 24.360 1.00 12.63 C ATOM 1256 O PHE A 173 59.389 -8.367 24.332 1.00 12.55 O ATOM 1257 CB PHE A 173 60.351 -11.136 23.610 1.00 12.48 C ATOM 1258 CG PHE A 173 60.527 -11.657 25.012 1.00 12.78 C ATOM 1259 CD1 PHE A 173 59.561 -12.465 25.596 1.00 16.14 C ATOM 1260 CD2 PHE A 173 61.673 -11.359 25.735 1.00 11.70 C ATOM 1261 CE1 PHE A 173 59.728 -12.952 26.885 1.00 20.37 C ATOM 1262 CE2 PHE A 173 61.845 -11.838 27.024 1.00 13.75 C ATOM 1263 CZ PHE A 173 60.868 -12.639 27.601 1.00 14.14 C ATOM 1264 H PHE A 173 59.322 -9.001 21.827 1.00 0.00 H ATOM 1265 N TYR A 174 57.749 -9.627 25.235 1.00 13.16 N ATOM 1266 CA TYR A 174 57.502 -8.727 26.359 1.00 11.74 C ATOM 1267 C TYR A 174 58.209 -9.257 27.609 1.00 11.17 C ATOM 1268 O TYR A 174 57.795 -10.270 28.172 1.00 12.29 O ATOM 1269 CB TYR A 174 55.999 -8.577 26.630 1.00 13.19 C ATOM 1270 CG TYR A 174 55.728 -7.737 27.857 1.00 12.20 C ATOM 1271 CD1 TYR A 174 56.121 -6.402 27.910 1.00 13.59 C ATOM 1272 CD2 TYR A 174 55.110 -8.284 28.976 1.00 17.01 C ATOM 1273 CE1 TYR A 174 55.894 -5.633 29.036 1.00 16.45 C ATOM 1274 CE2 TYR A 174 54.874 -7.521 30.112 1.00 16.71 C ATOM 1275 CZ TYR A 174 55.273 -6.197 30.137 1.00 16.18 C ATOM 1276 OH TYR A 174 55.038 -5.432 31.269 1.00 14.92 O ATOM 1277 HH TYR A 174 55.382 -4.515 31.124 1.00 0.00 H ATOM 1278 H TYR A 174 57.146 -10.466 25.115 1.00 0.00 H ATOM 1279 N PRO A 175 59.285 -8.579 28.052 1.00 13.64 N ATOM 1280 CA PRO A 175 60.079 -9.135 29.156 1.00 12.41 C ATOM 1281 C PRO A 175 59.636 -8.676 30.537 1.00 14.15 C ATOM 1282 O PRO A 175 60.235 -9.093 31.544 1.00 19.56 O ATOM 1283 CB PRO A 175 61.478 -8.600 28.870 1.00 11.09 C ATOM 1284 CG PRO A 175 61.202 -7.234 28.295 1.00 10.28 C ATOM 1285 CD PRO A 175 59.930 -7.391 27.468 1.00 11.87 C ATOM 1286 N GLY A 176 58.620 -7.825 30.584 1.00 14.01 N ATOM 1287 CA GLY A 176 58.236 -7.155 31.810 1.00 15.51 C ATOM 1288 C GLY A 176 58.471 -5.652 31.758 1.00 14.31 C ATOM 1289 O GLY A 176 58.933 -5.097 30.754 1.00 13.98 O ATOM 1290 H GLY A 176 58.083 -7.633 29.715 1.00 0.00 H ATOM 1291 N LYS A 177 58.159 -4.988 32.859 1.00 16.14 N ATOM 1292 CA LYS A 177 58.218 -3.540 32.914 1.00 13.77 C ATOM 1293 C LYS A 177 59.658 -3.064 33.096 1.00 13.04 C ATOM 1294 O LYS A 177 60.479 -3.751 33.703 1.00 15.82 O ATOM 1295 CB LYS A 177 57.333 -3.021 34.046 1.00 13.10 C ATOM 1296 CG LYS A 177 55.925 -3.599 34.036 1.00 14.98 C ATOM 1297 CD LYS A 177 55.111 -3.180 35.251 1.00 22.17 C ATOM 1298 CE LYS A 177 53.889 -4.080 35.378 1.00 29.45 C ATOM 1299 NZ LYS A 177 53.090 -3.818 36.598 1.00 32.37 N ATOM 1300 HZ1 LYS A 177 53.682 -3.973 37.439 1.00 0.00 H ATOM 1301 HZ2 LYS A 177 52.754 -2.834 36.586 1.00 0.00 H ATOM 1302 HZ3 LYS A 177 52.275 -4.463 36.622 1.00 0.00 H ATOM 1303 H LYS A 177 57.865 -5.517 33.705 1.00 0.00 H ATOM 1304 N GLY A 178 59.955 -1.881 32.574 1.00 12.43 N ATOM 1305 CA GLY A 178 61.283 -1.301 32.717 1.00 11.64 C ATOM 1306 C GLY A 178 61.259 0.179 32.427 1.00 10.30 C ATOM 1307 O GLY A 178 60.813 0.984 33.266 1.00 11.34 O ATOM 1308 H GLY A 178 59.224 -1.357 32.052 1.00 0.00 H ATOM 1309 N HIS A 179 61.746 0.554 31.241 1.00 10.61 N ATOM 1310 CA HIS A 179 61.655 1.932 30.781 1.00 12.02 C ATOM 1311 C HIS A 179 60.202 2.411 30.782 1.00 11.85 C ATOM 1312 O HIS A 179 59.912 3.548 31.146 1.00 11.35 O ATOM 1313 CB HIS A 179 62.252 2.071 29.383 1.00 10.28 C ATOM 1314 CG HIS A 179 61.898 3.357 28.707 1.00 11.79 C ATOM 1315 ND1 HIS A 179 62.384 4.577 29.129 1.00 11.75 N ATOM 1316 CD2 HIS A 179 61.087 3.614 27.653 1.00 11.11 C ATOM 1317 CE1 HIS A 179 61.900 5.528 28.349 1.00 15.31 C ATOM 1318 NE2 HIS A 179 61.103 4.970 27.453 1.00 12.18 N ATOM 1319 H HIS A 179 62.201 -0.156 30.632 1.00 0.00 H ATOM 1320 N THR A 180 59.297 1.529 30.365 1.00 12.51 N ATOM 1321 CA THR A 180 57.861 1.743 30.520 1.00 13.79 C ATOM 1322 C THR A 180 57.220 0.431 30.913 1.00 15.04 C ATOM 1323 O THR A 180 57.871 -0.609 30.874 1.00 11.77 O ATOM 1324 CB THR A 180 57.196 2.235 29.229 1.00 12.21 C ATOM 1325 OG1 THR A 180 57.466 1.289 28.190 1.00 10.03 O ATOM 1326 CG2 THR A 180 57.697 3.601 28.842 1.00 13.30 C ATOM 1327 HG1 THR A 180 57.042 1.594 27.349 1.00 0.00 H ATOM 1328 H THR A 180 59.625 0.653 29.911 1.00 0.00 H ATOM 1329 N GLU A 181 55.942 0.461 31.264 1.00 14.43 N ATOM 1330 CA GLU A 181 55.278 -0.771 31.671 1.00 16.39 C ATOM 1331 C GLU A 181 55.062 -1.711 30.489 1.00 14.22 C ATOM 1332 O GLU A 181 54.925 -2.915 30.690 1.00 17.06 O ATOM 1333 CB GLU A 181 53.940 -0.482 32.360 1.00 15.57 C ATOM 1334 CG GLU A 181 52.818 -0.053 31.462 1.00 16.68 C ATOM 1335 CD GLU A 181 51.491 0.041 32.208 1.00 17.75 C ATOM 1336 OE1 GLU A 181 51.180 -0.859 33.023 1.00 20.41 O ATOM 1337 OE2 GLU A 181 50.766 1.025 31.981 1.00 16.73 O ATOM 1338 H GLU A 181 55.416 1.358 31.249 1.00 0.00 H ATOM 1339 N ASP A 182 55.071 -1.167 29.272 1.00 13.79 N ATOM 1340 CA ASP A 182 54.702 -1.925 28.080 1.00 14.76 C ATOM 1341 C ASP A 182 55.846 -2.304 27.122 1.00 11.04 C ATOM 1342 O ASP A 182 55.626 -3.054 26.165 1.00 12.58 O ATOM 1343 CB ASP A 182 53.646 -1.122 27.306 1.00 11.66 C ATOM 1344 CG ASP A 182 54.182 0.183 26.762 1.00 10.58 C ATOM 1345 OD1 ASP A 182 54.896 0.906 27.502 1.00 12.08 O ATOM 1346 OD2 ASP A 182 53.865 0.494 25.589 1.00 11.01 O ATOM 1347 H ASP A 182 55.350 -0.170 29.168 1.00 0.00 H ATOM 1348 N ASN A 183 57.058 -1.817 27.385 1.00 12.10 N ATOM 1349 CA ASN A 183 58.168 -1.988 26.445 1.00 11.27 C ATOM 1350 C ASN A 183 58.426 -3.436 26.043 1.00 9.78 C ATOM 1351 O ASN A 183 58.474 -4.339 26.879 1.00 10.30 O ATOM 1352 CB ASN A 183 59.460 -1.358 26.998 1.00 13.65 C ATOM 1353 CG ASN A 183 59.830 -1.817 28.416 1.00 10.59 C ATOM 1354 OD1 ASN A 183 59.462 -2.894 28.884 1.00 16.40 O ATOM 1355 ND2 ASN A 183 60.599 -0.988 29.087 1.00 10.86 N ATOM 1356 HD22 ASN A 183 60.890 -0.086 28.658 1.00 0.00 H ATOM 1357 HD21 ASN A 183 60.916 -1.234 30.046 1.00 0.00 H ATOM 1358 H ASN A 183 57.219 -1.305 28.276 1.00 0.00 H ATOM 1359 N ILE A 184 58.540 -3.651 24.734 1.00 10.21 N ATOM 1360 CA ILE A 184 58.889 -4.958 24.195 1.00 11.64 C ATOM 1361 C ILE A 184 60.232 -4.896 23.483 1.00 8.94 C ATOM 1362 O ILE A 184 60.710 -3.820 23.112 1.00 10.64 O ATOM 1363 CB ILE A 184 57.822 -5.512 23.196 1.00 13.94 C ATOM 1364 CG1 ILE A 184 57.609 -4.559 22.020 1.00 10.03 C ATOM 1365 CG2 ILE A 184 56.509 -5.789 23.907 1.00 12.53 C ATOM 1366 CD1 ILE A 184 56.797 -5.158 20.894 1.00 16.63 C ATOM 1367 H ILE A 184 58.375 -2.862 24.077 1.00 0.00 H ATOM 1368 N VAL A 185 60.836 -6.066 23.304 1.00 11.26 N ATOM 1369 CA VAL A 185 62.030 -6.184 22.472 1.00 12.61 C ATOM 1370 C VAL A 185 61.686 -6.996 21.231 1.00 11.59 C ATOM 1371 O VAL A 185 60.664 -7.693 21.191 1.00 12.07 O ATOM 1372 CB VAL A 185 63.205 -6.827 23.234 1.00 12.31 C ATOM 1373 CG1 VAL A 185 63.552 -5.993 24.489 1.00 13.33 C ATOM 1374 CG2 VAL A 185 62.889 -8.281 23.605 1.00 10.48 C ATOM 1375 H VAL A 185 60.451 -6.914 23.766 1.00 0.00 H ATOM 1376 N VAL A 186 62.532 -6.864 20.215 1.00 10.90 N ATOM 1377 CA VAL A 186 62.369 -7.557 18.951 1.00 14.12 C ATOM 1378 C VAL A 186 63.653 -8.331 18.659 1.00 13.25 C ATOM 1379 O VAL A 186 64.763 -7.800 18.778 1.00 14.51 O ATOM 1380 CB VAL A 186 62.050 -6.580 17.803 1.00 11.36 C ATOM 1381 CG1 VAL A 186 61.826 -7.340 16.485 1.00 16.81 C ATOM 1382 CG2 VAL A 186 60.826 -5.737 18.153 1.00 12.24 C ATOM 1383 H VAL A 186 63.351 -6.233 20.332 1.00 0.00 H ATOM 1384 N TRP A 187 63.473 -9.592 18.284 1.00 13.27 N ATOM 1385 CA TRP A 187 64.559 -10.525 18.029 1.00 16.59 C ATOM 1386 C TRP A 187 64.496 -11.030 16.598 1.00 14.00 C ATOM 1387 O TRP A 187 63.437 -11.471 16.137 1.00 15.13 O ATOM 1388 CB TRP A 187 64.456 -11.696 19.002 1.00 14.37 C ATOM 1389 CG TRP A 187 65.420 -12.805 18.846 1.00 14.72 C ATOM 1390 CD1 TRP A 187 65.143 -14.080 18.445 1.00 15.87 C ATOM 1391 CD2 TRP A 187 66.818 -12.781 19.166 1.00 15.18 C ATOM 1392 NE1 TRP A 187 66.278 -14.846 18.482 1.00 17.56 N ATOM 1393 CE2 TRP A 187 67.322 -14.074 18.924 1.00 21.02 C ATOM 1394 CE3 TRP A 187 67.689 -11.793 19.640 1.00 18.34 C ATOM 1395 CZ2 TRP A 187 68.661 -14.404 19.127 1.00 19.85 C ATOM 1396 CZ3 TRP A 187 69.021 -12.122 19.836 1.00 15.65 C ATOM 1397 CH2 TRP A 187 69.491 -13.416 19.581 1.00 17.06 C ATOM 1398 HE1 TRP A 187 66.338 -15.850 18.218 1.00 0.00 H ATOM 1399 H TRP A 187 62.498 -9.933 18.166 1.00 0.00 H ATOM 1400 N LEU A 188 65.634 -10.975 15.912 1.00 14.73 N ATOM 1401 CA LEU A 188 65.774 -11.566 14.585 1.00 15.91 C ATOM 1402 C LEU A 188 66.579 -12.861 14.733 1.00 19.09 C ATOM 1403 O LEU A 188 67.803 -12.826 14.808 1.00 18.76 O ATOM 1404 CB LEU A 188 66.459 -10.598 13.622 1.00 19.66 C ATOM 1405 CG LEU A 188 65.858 -9.192 13.524 1.00 23.39 C ATOM 1406 CD1 LEU A 188 66.606 -8.369 12.482 1.00 26.27 C ATOM 1407 CD2 LEU A 188 64.355 -9.231 13.211 1.00 20.13 C ATOM 1408 H LEU A 188 66.453 -10.494 16.336 1.00 0.00 H ATOM 1409 N PRO A 189 65.889 -14.013 14.810 1.00 19.33 N ATOM 1410 CA PRO A 189 66.614 -15.256 15.089 1.00 19.17 C ATOM 1411 C PRO A 189 67.585 -15.674 13.986 1.00 20.75 C ATOM 1412 O PRO A 189 68.504 -16.435 14.268 1.00 21.94 O ATOM 1413 CB PRO A 189 65.491 -16.287 15.241 1.00 23.89 C ATOM 1414 CG PRO A 189 64.359 -15.726 14.481 1.00 23.04 C ATOM 1415 CD PRO A 189 64.439 -14.249 14.695 1.00 21.87 C ATOM 1416 N GLN A 190 67.409 -15.184 12.767 1.00 20.94 N ATOM 1417 CA GLN A 190 68.310 -15.576 11.687 1.00 22.64 C ATOM 1418 C GLN A 190 69.642 -14.832 11.778 1.00 22.77 C ATOM 1419 O GLN A 190 70.603 -15.201 11.102 1.00 24.39 O ATOM 1420 CB GLN A 190 67.657 -15.331 10.325 1.00 24.80 C ATOM 1421 CG GLN A 190 66.442 -16.208 10.081 1.00 25.50 C ATOM 1422 CD GLN A 190 65.486 -15.623 9.057 1.00 30.04 C ATOM 1423 OE1 GLN A 190 65.185 -14.427 9.079 1.00 21.86 O ATOM 1424 NE2 GLN A 190 64.998 -16.467 8.157 1.00 32.83 N ATOM 1425 HE22 GLN A 190 65.280 -17.468 8.176 1.00 0.00 H ATOM 1426 HE21 GLN A 190 64.334 -16.128 7.432 1.00 0.00 H ATOM 1427 H GLN A 190 66.630 -14.521 12.580 1.00 0.00 H ATOM 1428 N TYR A 191 69.703 -13.803 12.623 1.00 21.26 N ATOM 1429 CA TYR A 191 70.900 -12.967 12.744 1.00 21.42 C ATOM 1430 C TYR A 191 71.386 -12.818 14.187 1.00 20.72 C ATOM 1431 O TYR A 191 72.438 -12.236 14.433 1.00 21.06 O ATOM 1432 CB TYR A 191 70.629 -11.573 12.179 1.00 20.58 C ATOM 1433 CG TYR A 191 70.079 -11.562 10.772 1.00 27.48 C ATOM 1434 CD1 TYR A 191 70.923 -11.605 9.675 1.00 35.55 C ATOM 1435 CD2 TYR A 191 68.714 -11.493 10.544 1.00 21.15 C ATOM 1436 CE1 TYR A 191 70.420 -11.587 8.389 1.00 34.61 C ATOM 1437 CE2 TYR A 191 68.203 -11.474 9.267 1.00 23.95 C ATOM 1438 CZ TYR A 191 69.057 -11.523 8.192 1.00 32.81 C ATOM 1439 OH TYR A 191 68.547 -11.501 6.914 1.00 31.70 O ATOM 1440 HH TYR A 191 67.950 -12.280 6.785 1.00 0.00 H ATOM 1441 H TYR A 191 68.875 -13.587 13.215 1.00 0.00 H ATOM 1442 N ASN A 192 70.596 -13.328 15.124 1.00 19.91 N ATOM 1443 CA ASN A 192 70.773 -13.065 16.549 1.00 19.11 C ATOM 1444 C ASN A 192 70.988 -11.573 16.810 1.00 17.96 C ATOM 1445 O ASN A 192 71.906 -11.163 17.525 1.00 19.23 O ATOM 1446 CB ASN A 192 71.924 -13.903 17.112 1.00 26.27 C ATOM 1447 CG ASN A 192 71.575 -15.380 17.191 1.00 30.69 C ATOM 1448 OD1 ASN A 192 70.592 -15.827 16.601 1.00 23.66 O ATOM 1449 ND2 ASN A 192 72.376 -16.142 17.921 1.00 32.09 N ATOM 1450 HD22 ASN A 192 73.196 -15.722 18.403 1.00 0.00 H ATOM 1451 HD21 ASN A 192 72.184 -17.160 18.012 1.00 0.00 H ATOM 1452 H ASN A 192 69.813 -13.945 14.828 1.00 0.00 H ATOM 1453 N ILE A 193 70.123 -10.774 16.197 1.00 17.10 N ATOM 1454 CA ILE A 193 70.086 -9.344 16.406 1.00 16.16 C ATOM 1455 C ILE A 193 68.908 -9.019 17.321 1.00 15.40 C ATOM 1456 O ILE A 193 67.767 -9.432 17.077 1.00 16.38 O ATOM 1457 CB ILE A 193 69.956 -8.563 15.074 1.00 21.07 C ATOM 1458 CG1 ILE A 193 71.245 -8.708 14.255 1.00 22.32 C ATOM 1459 CG2 ILE A 193 69.656 -7.088 15.350 1.00 19.42 C ATOM 1460 CD1 ILE A 193 71.170 -8.110 12.861 1.00 26.38 C ATOM 1461 H ILE A 193 69.440 -11.196 15.536 1.00 0.00 H ATOM 1462 N LEU A 194 69.209 -8.291 18.388 1.00 17.35 N ATOM 1463 CA LEU A 194 68.199 -7.851 19.335 1.00 15.65 C ATOM 1464 C LEU A 194 67.978 -6.358 19.228 1.00 12.43 C ATOM 1465 O LEU A 194 68.940 -5.582 19.332 1.00 14.25 O ATOM 1466 CB LEU A 194 68.625 -8.192 20.760 1.00 15.88 C ATOM 1467 CG LEU A 194 67.697 -7.708 21.870 1.00 13.33 C ATOM 1468 CD1 LEU A 194 66.409 -8.483 21.853 1.00 14.74 C ATOM 1469 CD2 LEU A 194 68.411 -7.836 23.214 1.00 18.45 C ATOM 1470 H LEU A 194 70.201 -8.026 18.552 1.00 0.00 H ATOM 1471 N VAL A 195 66.719 -5.965 19.041 1.00 12.01 N ATOM 1472 CA VAL A 195 66.317 -4.573 19.126 1.00 13.35 C ATOM 1473 C VAL A 195 65.846 -4.347 20.549 1.00 12.88 C ATOM 1474 O VAL A 195 64.753 -4.759 20.913 1.00 13.22 O ATOM 1475 CB VAL A 195 65.186 -4.208 18.150 1.00 11.04 C ATOM 1476 CG1 VAL A 195 64.937 -2.714 18.173 1.00 18.14 C ATOM 1477 CG2 VAL A 195 65.523 -4.661 16.743 1.00 11.84 C ATOM 1478 H VAL A 195 65.997 -6.682 18.826 1.00 0.00 H ATOM 1479 N GLY A 196 66.696 -3.735 21.361 1.00 15.73 N ATOM 1480 CA GLY A 196 66.380 -3.558 22.761 1.00 16.21 C ATOM 1481 C GLY A 196 65.372 -2.455 23.005 1.00 16.33 C ATOM 1482 O GLY A 196 64.679 -2.445 24.023 1.00 10.35 O ATOM 1483 H GLY A 196 67.599 -3.379 20.988 1.00 0.00 H ATOM 1484 N GLY A 197 65.287 -1.512 22.075 1.00 15.03 N ATOM 1485 CA GLY A 197 64.442 -0.346 22.275 1.00 14.37 C ATOM 1486 C GLY A 197 64.867 0.412 23.528 1.00 15.25 C ATOM 1487 O GLY A 197 66.007 0.316 23.984 1.00 10.67 O ATOM 1488 H GLY A 197 65.831 -1.608 21.194 1.00 0.00 H ATOM 1489 N CYS A 198 63.945 1.160 24.112 1.00 14.61 N ATOM 1490 CA CYS A 198 64.334 2.118 25.130 1.00 15.41 C ATOM 1491 C CYS A 198 64.502 1.451 26.498 1.00 12.51 C ATOM 1492 O CYS A 198 64.982 2.063 27.439 1.00 12.74 O ATOM 1493 CB CYS A 198 63.319 3.250 25.131 1.00 16.19 C ATOM 1494 SG CYS A 198 63.227 4.008 23.448 1.00 16.65 S ATOM 1495 H CYS A 198 62.945 1.062 23.842 1.00 0.00 H ATOM 1496 N LEU A 199 64.137 0.174 26.570 1.00 11.11 N ATOM 1497 CA LEU A 199 64.511 -0.703 27.673 1.00 17.25 C ATOM 1498 C LEU A 199 66.037 -0.809 27.840 1.00 18.45 C ATOM 1499 O LEU A 199 66.546 -1.021 28.954 1.00 12.19 O ATOM 1500 CB LEU A 199 63.922 -2.094 27.438 1.00 13.72 C ATOM 1501 CG LEU A 199 64.180 -3.148 28.509 1.00 10.36 C ATOM 1502 CD1 LEU A 199 63.316 -2.848 29.726 1.00 14.63 C ATOM 1503 CD2 LEU A 199 63.906 -4.544 27.971 1.00 14.39 C ATOM 1504 H LEU A 199 63.556 -0.218 25.802 1.00 0.00 H ATOM 1505 N VAL A 200 66.759 -0.673 26.730 1.00 13.62 N ATOM 1506 CA VAL A 200 68.215 -0.838 26.722 1.00 13.79 C ATOM 1507 C VAL A 200 68.917 0.489 26.448 1.00 16.17 C ATOM 1508 O VAL A 200 68.663 1.146 25.439 1.00 15.96 O ATOM 1509 CB VAL A 200 68.660 -1.888 25.671 1.00 13.08 C ATOM 1510 CG1 VAL A 200 70.183 -2.060 25.669 1.00 15.42 C ATOM 1511 CG2 VAL A 200 67.997 -3.220 25.947 1.00 11.96 C ATOM 1512 H VAL A 200 66.274 -0.442 25.839 1.00 0.00 H ATOM 1513 N LYS A 201 69.798 0.866 27.374 1.00 17.99 N ATOM 1514 CA LYS A 201 70.580 2.099 27.294 1.00 14.75 C ATOM 1515 C LYS A 201 71.897 1.891 26.541 1.00 19.86 C ATOM 1516 O LYS A 201 72.545 0.847 26.672 1.00 16.96 O ATOM 1517 CB LYS A 201 70.860 2.628 28.711 1.00 15.82 C ATOM 1518 CG LYS A 201 69.608 3.041 29.477 1.00 17.16 C ATOM 1519 CD LYS A 201 68.874 4.137 28.706 1.00 28.00 C ATOM 1520 CE LYS A 201 67.844 4.828 29.543 1.00 38.03 C ATOM 1521 NZ LYS A 201 67.301 6.029 28.852 1.00 30.57 N ATOM 1522 HZ1 LYS A 201 68.075 6.697 28.661 1.00 0.00 H ATOM 1523 HZ2 LYS A 201 66.860 5.742 27.955 1.00 0.00 H ATOM 1524 HZ3 LYS A 201 66.590 6.485 29.459 1.00 0.00 H ATOM 1525 H LYS A 201 69.937 0.249 28.200 1.00 0.00 H ATOM 1526 N SER A 202 72.286 2.886 25.750 1.00 19.47 N ATOM 1527 CA SER A 202 73.536 2.839 25.005 1.00 22.36 C ATOM 1528 C SER A 202 74.705 3.195 25.911 1.00 17.67 C ATOM 1529 O SER A 202 74.510 3.713 27.000 1.00 17.68 O ATOM 1530 CB SER A 202 73.495 3.800 23.823 1.00 25.11 C ATOM 1531 OG SER A 202 73.588 5.140 24.271 1.00 24.37 O ATOM 1532 HG SER A 202 72.829 5.338 24.874 1.00 0.00 H ATOM 1533 H SER A 202 71.678 3.725 25.660 1.00 0.00 H ATOM 1534 N THR A 203 75.917 2.941 25.443 1.00 18.90 N ATOM 1535 CA THR A 203 77.108 3.211 26.244 1.00 20.33 C ATOM 1536 C THR A 203 77.186 4.685 26.638 1.00 28.61 C ATOM 1537 O THR A 203 77.654 5.022 27.725 1.00 26.43 O ATOM 1538 CB THR A 203 78.383 2.810 25.488 1.00 27.17 C ATOM 1539 OG1 THR A 203 78.305 1.422 25.154 1.00 27.78 O ATOM 1540 CG2 THR A 203 79.629 3.041 26.354 1.00 33.90 C ATOM 1541 HG1 THR A 203 78.225 0.888 25.984 1.00 0.00 H ATOM 1542 H THR A 203 76.023 2.542 24.488 1.00 0.00 H ATOM 1543 N SER A 204 76.705 5.557 25.762 1.00 33.87 N ATOM 1544 CA SER A 204 76.799 6.992 25.991 1.00 38.79 C ATOM 1545 C SER A 204 75.811 7.460 27.059 1.00 24.29 C ATOM 1546 O SER A 204 75.956 8.553 27.608 1.00 29.24 O ATOM 1547 CB SER A 204 76.559 7.755 24.686 1.00 43.15 C ATOM 1548 OG SER A 204 75.204 7.664 24.278 1.00 41.21 O ATOM 1549 HG SER A 204 74.966 6.713 24.136 1.00 0.00 H ATOM 1550 H SER A 204 76.251 5.209 24.893 1.00 0.00 H ATOM 1551 N ALA A 205 74.814 6.636 27.356 1.00 20.11 N ATOM 1552 CA ALA A 205 73.864 6.967 28.405 1.00 21.96 C ATOM 1553 C ALA A 205 74.500 6.716 29.770 1.00 23.90 C ATOM 1554 O ALA A 205 74.902 5.594 30.083 1.00 23.67 O ATOM 1555 CB ALA A 205 72.583 6.158 28.249 1.00 19.22 C ATOM 1556 H ALA A 205 74.711 5.743 26.832 1.00 0.00 H ATOM 1557 N LYS A 206 74.584 7.775 30.571 1.00 21.02 N ATOM 1558 CA LYS A 206 75.202 7.715 31.893 1.00 21.77 C ATOM 1559 C LYS A 206 74.157 7.689 33.004 1.00 20.94 C ATOM 1560 O LYS A 206 74.490 7.685 34.192 1.00 24.11 O ATOM 1561 CB LYS A 206 76.142 8.910 32.081 1.00 23.99 C ATOM 1562 CG LYS A 206 77.148 9.062 30.955 1.00 37.91 C ATOM 1563 CD LYS A 206 77.881 7.756 30.679 1.00 36.49 C ATOM 1564 CE LYS A 206 78.922 7.918 29.584 1.00 45.41 C ATOM 1565 NZ LYS A 206 79.557 6.617 29.235 1.00 45.73 N ATOM 1566 HZ1 LYS A 206 80.024 6.223 30.077 1.00 0.00 H ATOM 1567 HZ2 LYS A 206 78.828 5.955 28.900 1.00 0.00 H ATOM 1568 HZ3 LYS A 206 80.262 6.767 28.485 1.00 0.00 H ATOM 1569 H LYS A 206 74.194 8.682 30.243 1.00 0.00 H ATOM 1570 N ASP A 207 72.889 7.685 32.611 1.00 23.25 N ATOM 1571 CA ASP A 207 71.794 7.598 33.561 1.00 25.02 C ATOM 1572 C ASP A 207 70.599 6.976 32.851 1.00 27.20 C ATOM 1573 O ASP A 207 70.661 6.692 31.648 1.00 19.51 O ATOM 1574 CB ASP A 207 71.452 8.980 34.132 1.00 28.14 C ATOM 1575 CG ASP A 207 71.155 10.008 33.044 1.00 36.12 C ATOM 1576 OD1 ASP A 207 71.945 10.961 32.882 1.00 38.10 O ATOM 1577 OD2 ASP A 207 70.135 9.851 32.343 1.00 28.42 O ATOM 1578 H ASP A 207 72.674 7.746 31.595 1.00 0.00 H ATOM 1579 N LEU A 208 69.515 6.757 33.587 1.00 23.18 N ATOM 1580 CA LEU A 208 68.372 6.048 33.032 1.00 20.47 C ATOM 1581 C LEU A 208 67.488 6.963 32.195 1.00 21.09 C ATOM 1582 O LEU A 208 66.569 6.491 31.535 1.00 20.74 O ATOM 1583 CB LEU A 208 67.548 5.403 34.150 1.00 24.11 C ATOM 1584 CG LEU A 208 68.252 4.306 34.957 1.00 24.35 C ATOM 1585 CD1 LEU A 208 67.494 4.006 36.247 1.00 25.87 C ATOM 1586 CD2 LEU A 208 68.421 3.042 34.124 1.00 20.75 C ATOM 1587 H LEU A 208 69.483 7.096 34.570 1.00 0.00 H ATOM 1588 N GLY A 209 67.762 8.264 32.221 1.00 24.92 N ATOM 1589 CA GLY A 209 66.959 9.213 31.470 1.00 27.53 C ATOM 1590 C GLY A 209 65.649 9.486 32.187 1.00 27.87 C ATOM 1591 O GLY A 209 65.581 9.413 33.411 1.00 22.37 O ATOM 1592 H GLY A 209 68.564 8.607 32.788 1.00 0.00 H ATOM 1593 N ASN A 210 64.594 9.787 31.438 1.00 25.01 N ATOM 1594 CA ASN A 210 63.324 10.110 32.070 1.00 21.45 C ATOM 1595 C ASN A 210 62.659 8.843 32.582 1.00 18.55 C ATOM 1596 O ASN A 210 62.327 7.954 31.801 1.00 19.44 O ATOM 1597 CB ASN A 210 62.407 10.849 31.095 1.00 35.30 C ATOM 1598 CG ASN A 210 61.147 11.363 31.762 1.00 38.19 C ATOM 1599 OD1 ASN A 210 60.296 10.582 32.178 1.00 33.79 O ATOM 1600 ND2 ASN A 210 61.023 12.687 31.868 1.00 40.47 N ATOM 1601 HD22 ASN A 210 61.770 13.310 31.501 1.00 0.00 H ATOM 1602 HD21 ASN A 210 60.179 13.096 32.318 1.00 0.00 H ATOM 1603 H ASN A 210 64.676 9.792 30.401 1.00 0.00 H ATOM 1604 N VAL A 211 62.472 8.763 33.896 1.00 17.98 N ATOM 1605 CA VAL A 211 61.897 7.570 34.520 1.00 17.82 C ATOM 1606 C VAL A 211 60.470 7.804 35.024 1.00 18.27 C ATOM 1607 O VAL A 211 59.975 7.055 35.866 1.00 19.26 O ATOM 1608 CB VAL A 211 62.773 7.083 35.702 1.00 23.89 C ATOM 1609 CG1 VAL A 211 64.116 6.609 35.190 1.00 22.02 C ATOM 1610 CG2 VAL A 211 62.948 8.193 36.754 1.00 28.32 C ATOM 1611 H VAL A 211 62.741 9.569 34.496 1.00 0.00 H ATOM 1612 N ALA A 212 59.814 8.837 34.502 1.00 21.67 N ATOM 1613 CA ALA A 212 58.454 9.175 34.916 1.00 26.30 C ATOM 1614 C ALA A 212 57.494 8.005 34.695 1.00 21.77 C ATOM 1615 O ALA A 212 56.622 7.742 35.523 1.00 22.61 O ATOM 1616 CB ALA A 212 57.964 10.406 34.163 1.00 31.45 C ATOM 1617 H ALA A 212 60.282 9.420 33.779 1.00 0.00 H ATOM 1618 N ASP A 213 57.673 7.299 33.582 1.00 15.68 N ATOM 1619 CA ASP A 213 56.819 6.164 33.238 1.00 20.02 C ATOM 1620 C ASP A 213 57.492 4.827 33.485 1.00 18.54 C ATOM 1621 O ASP A 213 57.007 3.799 33.015 1.00 15.66 O ATOM 1622 CB ASP A 213 56.401 6.248 31.768 1.00 17.37 C ATOM 1623 CG ASP A 213 55.567 7.479 31.467 1.00 18.54 C ATOM 1624 OD1 ASP A 213 54.873 7.981 32.384 1.00 16.84 O ATOM 1625 OD2 ASP A 213 55.603 7.947 30.313 1.00 20.25 O ATOM 1626 H ASP A 213 58.445 7.563 32.937 1.00 0.00 H ATOM 1627 N ALA A 214 58.604 4.843 34.221 1.00 15.33 N ATOM 1628 CA ALA A 214 59.463 3.666 34.358 1.00 13.75 C ATOM 1629 C ALA A 214 59.191 2.907 35.648 1.00 17.51 C ATOM 1630 O ALA A 214 58.527 3.410 36.559 1.00 16.11 O ATOM 1631 CB ALA A 214 60.937 4.067 34.301 1.00 14.54 C ATOM 1632 H ALA A 214 58.869 5.720 34.713 1.00 0.00 H ATOM 1633 N TYR A 215 59.719 1.688 35.703 1.00 15.32 N ATOM 1634 CA TYR A 215 59.567 0.806 36.852 1.00 16.18 C ATOM 1635 C TYR A 215 60.942 0.300 37.234 1.00 16.25 C ATOM 1636 O TYR A 215 61.340 -0.802 36.853 1.00 18.56 O ATOM 1637 CB TYR A 215 58.618 -0.348 36.519 1.00 12.41 C ATOM 1638 CG TYR A 215 57.216 0.136 36.232 1.00 12.75 C ATOM 1639 CD1 TYR A 215 56.924 0.787 35.044 1.00 12.36 C ATOM 1640 CD2 TYR A 215 56.192 -0.024 37.161 1.00 13.67 C ATOM 1641 CE1 TYR A 215 55.659 1.261 34.779 1.00 15.69 C ATOM 1642 CE2 TYR A 215 54.910 0.450 36.902 1.00 15.64 C ATOM 1643 CZ TYR A 215 54.650 1.089 35.705 1.00 14.64 C ATOM 1644 OH TYR A 215 53.390 1.574 35.396 1.00 18.96 O ATOM 1645 HH TYR A 215 53.410 1.995 34.500 1.00 0.00 H ATOM 1646 H TYR A 215 60.267 1.348 34.887 1.00 0.00 H ATOM 1647 N VAL A 216 61.672 1.120 37.984 1.00 19.03 N ATOM 1648 CA VAL A 216 63.096 0.888 38.169 1.00 20.93 C ATOM 1649 C VAL A 216 63.402 -0.327 39.035 1.00 21.78 C ATOM 1650 O VAL A 216 64.536 -0.797 39.044 1.00 27.40 O ATOM 1651 CB VAL A 216 63.790 2.120 38.780 1.00 26.92 C ATOM 1652 CG1 VAL A 216 63.717 3.294 37.814 1.00 33.83 C ATOM 1653 CG2 VAL A 216 63.175 2.482 40.129 1.00 31.84 C ATOM 1654 H VAL A 216 61.220 1.936 38.443 1.00 0.00 H ATOM 1655 N ASN A 217 62.405 -0.843 39.748 1.00 21.21 N ATOM 1656 CA ASN A 217 62.600 -2.012 40.600 1.00 22.01 C ATOM 1657 C ASN A 217 62.299 -3.308 39.855 1.00 24.29 C ATOM 1658 O ASN A 217 62.648 -4.390 40.326 1.00 33.32 O ATOM 1659 CB ASN A 217 61.731 -1.907 41.858 1.00 27.52 C ATOM 1660 CG ASN A 217 62.177 -2.853 42.964 1.00 26.75 C ATOM 1661 OD1 ASN A 217 63.311 -2.781 43.440 1.00 25.46 O ATOM 1662 ND2 ASN A 217 61.277 -3.736 43.389 1.00 25.59 N ATOM 1663 HD22 ASN A 217 60.331 -3.762 42.959 1.00 0.00 H ATOM 1664 HD21 ASN A 217 61.520 -4.400 44.152 1.00 0.00 H ATOM 1665 H ASN A 217 61.464 -0.403 39.697 1.00 0.00 H ATOM 1666 N GLU A 218 61.642 -3.192 38.703 1.00 15.99 N ATOM 1667 CA GLU A 218 61.337 -4.339 37.847 1.00 13.74 C ATOM 1668 C GLU A 218 62.230 -4.365 36.603 1.00 12.46 C ATOM 1669 O GLU A 218 62.397 -5.400 35.957 1.00 13.36 O ATOM 1670 CB GLU A 218 59.862 -4.308 37.425 1.00 18.18 C ATOM 1671 CG GLU A 218 58.924 -4.449 38.600 1.00 24.31 C ATOM 1672 CD GLU A 218 57.468 -4.351 38.210 1.00 39.10 C ATOM 1673 OE1 GLU A 218 56.773 -3.482 38.766 1.00 26.11 O ATOM 1674 OE2 GLU A 218 57.012 -5.151 37.363 1.00 35.14 O ATOM 1675 H GLU A 218 61.333 -2.247 38.399 1.00 0.00 H ATOM 1676 N TRP A 219 62.800 -3.213 36.275 1.00 15.29 N ATOM 1677 CA TRP A 219 63.574 -3.051 35.046 1.00 11.09 C ATOM 1678 C TRP A 219 64.735 -4.050 34.994 1.00 15.29 C ATOM 1679 O TRP A 219 65.022 -4.635 33.946 1.00 15.46 O ATOM 1680 CB TRP A 219 64.059 -1.607 34.963 1.00 13.34 C ATOM 1681 CG TRP A 219 64.607 -1.132 33.661 1.00 11.39 C ATOM 1682 CD1 TRP A 219 65.146 -1.875 32.651 1.00 14.85 C ATOM 1683 CD2 TRP A 219 64.675 0.231 33.239 1.00 14.58 C ATOM 1684 NE1 TRP A 219 65.553 -1.052 31.628 1.00 12.59 N ATOM 1685 CE2 TRP A 219 65.262 0.247 31.962 1.00 13.00 C ATOM 1686 CE3 TRP A 219 64.286 1.441 33.818 1.00 11.49 C ATOM 1687 CZ2 TRP A 219 65.482 1.429 31.261 1.00 10.98 C ATOM 1688 CZ3 TRP A 219 64.496 2.610 33.119 1.00 14.07 C ATOM 1689 CH2 TRP A 219 65.086 2.599 31.850 1.00 11.51 C ATOM 1690 HE1 TRP A 219 66.007 -1.363 30.745 1.00 0.00 H ATOM 1691 H TRP A 219 62.693 -2.399 36.913 1.00 0.00 H ATOM 1692 N SER A 220 65.372 -4.297 36.136 1.00 12.41 N ATOM 1693 CA SER A 220 66.480 -5.256 36.179 1.00 15.90 C ATOM 1694 C SER A 220 66.031 -6.674 35.841 1.00 15.46 C ATOM 1695 O SER A 220 66.683 -7.381 35.068 1.00 15.27 O ATOM 1696 CB SER A 220 67.140 -5.268 37.557 1.00 17.51 C ATOM 1697 OG SER A 220 67.898 -4.094 37.767 1.00 20.12 O ATOM 1698 HG SER A 220 67.304 -3.304 37.706 1.00 0.00 H ATOM 1699 H SER A 220 65.081 -3.806 37.005 1.00 0.00 H ATOM 1700 N THR A 221 64.931 -7.102 36.445 1.00 14.89 N ATOM 1701 CA THR A 221 64.400 -8.437 36.197 1.00 14.35 C ATOM 1702 C THR A 221 64.022 -8.592 34.713 1.00 13.59 C ATOM 1703 O THR A 221 64.246 -9.637 34.096 1.00 12.67 O ATOM 1704 CB THR A 221 63.173 -8.716 37.091 1.00 16.23 C ATOM 1705 OG1 THR A 221 63.574 -8.727 38.469 1.00 19.51 O ATOM 1706 CG2 THR A 221 62.531 -10.061 36.744 1.00 17.06 C ATOM 1707 HG1 THR A 221 63.961 -7.847 38.706 1.00 0.00 H ATOM 1708 H THR A 221 64.437 -6.473 37.109 1.00 0.00 H ATOM 1709 N SER A 222 63.472 -7.535 34.135 1.00 12.63 N ATOM 1710 CA SER A 222 63.079 -7.563 32.732 1.00 15.21 C ATOM 1711 C SER A 222 64.296 -7.711 31.806 1.00 14.15 C ATOM 1712 O SER A 222 64.261 -8.475 30.831 1.00 13.79 O ATOM 1713 CB SER A 222 62.273 -6.306 32.407 1.00 13.50 C ATOM 1714 OG SER A 222 61.130 -6.248 33.244 1.00 14.08 O ATOM 1715 HG SER A 222 60.609 -5.433 33.033 1.00 0.00 H ATOM 1716 H SER A 222 63.318 -6.670 34.692 1.00 0.00 H ATOM 1717 N ILE A 223 65.385 -7.017 32.124 1.00 14.69 N ATOM 1718 CA ILE A 223 66.640 -7.185 31.373 1.00 11.26 C ATOM 1719 C ILE A 223 67.135 -8.623 31.522 1.00 15.85 C ATOM 1720 O ILE A 223 67.544 -9.268 30.548 1.00 14.00 O ATOM 1721 CB ILE A 223 67.731 -6.189 31.851 1.00 12.60 C ATOM 1722 CG1 ILE A 223 67.382 -4.747 31.443 1.00 15.71 C ATOM 1723 CG2 ILE A 223 69.123 -6.570 31.324 1.00 12.93 C ATOM 1724 CD1 ILE A 223 67.451 -4.465 29.956 1.00 18.81 C ATOM 1725 H ILE A 223 65.349 -6.344 32.916 1.00 0.00 H ATOM 1726 N GLU A 224 67.105 -9.130 32.746 1.00 13.90 N ATOM 1727 CA GLU A 224 67.521 -10.502 32.992 1.00 14.88 C ATOM 1728 C GLU A 224 66.662 -11.485 32.193 1.00 16.93 C ATOM 1729 O GLU A 224 67.159 -12.506 31.726 1.00 16.39 O ATOM 1730 CB GLU A 224 67.441 -10.830 34.483 1.00 16.69 C ATOM 1731 CG GLU A 224 68.474 -10.119 35.323 1.00 20.18 C ATOM 1732 CD GLU A 224 69.885 -10.658 35.108 1.00 32.27 C ATOM 1733 OE1 GLU A 224 70.060 -11.636 34.340 1.00 34.24 O ATOM 1734 OE2 GLU A 224 70.822 -10.098 35.716 1.00 30.80 O ATOM 1735 H GLU A 224 66.781 -8.541 33.539 1.00 0.00 H ATOM 1736 N ASN A 225 65.375 -11.182 32.045 1.00 13.20 N ATOM 1737 CA ASN A 225 64.496 -12.040 31.257 1.00 13.41 C ATOM 1738 C ASN A 225 64.949 -12.060 29.799 1.00 13.18 C ATOM 1739 O ASN A 225 64.860 -13.080 29.137 1.00 15.91 O ATOM 1740 CB ASN A 225 63.044 -11.587 31.368 1.00 12.91 C ATOM 1741 CG ASN A 225 62.424 -11.928 32.710 1.00 21.54 C ATOM 1742 OD1 ASN A 225 62.950 -12.749 33.462 1.00 17.74 O ATOM 1743 ND2 ASN A 225 61.288 -11.309 33.007 1.00 16.43 N ATOM 1744 HD22 ASN A 225 60.880 -10.622 32.341 1.00 0.00 H ATOM 1745 HD21 ASN A 225 60.806 -11.511 33.906 1.00 0.00 H ATOM 1746 H ASN A 225 64.992 -10.326 32.495 1.00 0.00 H ATOM 1747 N VAL A 226 65.433 -10.925 29.306 1.00 13.75 N ATOM 1748 CA VAL A 226 65.942 -10.851 27.941 1.00 16.06 C ATOM 1749 C VAL A 226 67.228 -11.674 27.843 1.00 19.29 C ATOM 1750 O VAL A 226 67.391 -12.472 26.923 1.00 16.29 O ATOM 1751 CB VAL A 226 66.188 -9.392 27.512 1.00 14.09 C ATOM 1752 CG1 VAL A 226 66.878 -9.322 26.138 1.00 11.65 C ATOM 1753 CG2 VAL A 226 64.866 -8.617 27.490 1.00 12.61 C ATOM 1754 H VAL A 226 65.449 -10.074 29.904 1.00 0.00 H ATOM 1755 N LEU A 227 68.121 -11.510 28.814 1.00 13.67 N ATOM 1756 CA LEU A 227 69.391 -12.240 28.826 1.00 15.44 C ATOM 1757 C LEU A 227 69.211 -13.753 28.939 1.00 18.24 C ATOM 1758 O LEU A 227 70.031 -14.523 28.430 1.00 21.17 O ATOM 1759 CB LEU A 227 70.268 -11.753 29.974 1.00 16.65 C ATOM 1760 CG LEU A 227 70.882 -10.365 29.793 1.00 22.15 C ATOM 1761 CD1 LEU A 227 71.308 -9.791 31.126 1.00 27.51 C ATOM 1762 CD2 LEU A 227 72.067 -10.432 28.842 1.00 21.90 C ATOM 1763 H LEU A 227 67.912 -10.845 29.586 1.00 0.00 H ATOM 1764 N LYS A 228 68.147 -14.176 29.616 1.00 16.21 N ATOM 1765 CA LYS A 228 67.840 -15.598 29.737 1.00 17.23 C ATOM 1766 C LYS A 228 67.271 -16.169 28.450 1.00 17.43 C ATOM 1767 O LYS A 228 67.553 -17.310 28.095 1.00 20.14 O ATOM 1768 CB LYS A 228 66.846 -15.840 30.872 1.00 24.59 C ATOM 1769 CG LYS A 228 67.449 -15.700 32.245 1.00 38.35 C ATOM 1770 CD LYS A 228 66.381 -15.730 33.312 1.00 41.89 C ATOM 1771 CE LYS A 228 66.984 -15.523 34.693 1.00 46.23 C ATOM 1772 NZ LYS A 228 65.926 -15.336 35.716 1.00 46.23 N ATOM 1773 HZ1 LYS A 228 65.355 -14.501 35.474 1.00 0.00 H ATOM 1774 HZ2 LYS A 228 65.317 -16.179 35.741 1.00 0.00 H ATOM 1775 HZ3 LYS A 228 66.367 -15.197 36.648 1.00 0.00 H ATOM 1776 H LYS A 228 67.521 -13.479 30.068 1.00 0.00 H ATOM 1777 N ARG A 229 66.454 -15.384 27.759 1.00 18.30 N ATOM 1778 CA ARG A 229 65.815 -15.864 26.544 1.00 22.36 C ATOM 1779 C ARG A 229 66.791 -15.905 25.368 1.00 18.35 C ATOM 1780 O ARG A 229 66.754 -16.828 24.566 1.00 17.92 O ATOM 1781 CB ARG A 229 64.609 -14.997 26.194 1.00 19.73 C ATOM 1782 CG ARG A 229 63.748 -15.617 25.105 1.00 19.37 C ATOM 1783 CD ARG A 229 62.514 -14.805 24.767 1.00 17.57 C ATOM 1784 NE ARG A 229 61.802 -15.435 23.664 1.00 17.27 N ATOM 1785 CZ ARG A 229 61.039 -16.521 23.785 1.00 21.00 C ATOM 1786 NH1 ARG A 229 60.862 -17.091 24.972 1.00 22.85 N ATOM 1787 NH2 ARG A 229 60.440 -17.036 22.720 1.00 22.48 N ATOM 1788 HE ARG A 229 61.895 -15.009 22.720 1.00 0.00 H ATOM 1789 HH12 ARG A 229 60.265 -17.938 25.058 1.00 0.00 H ATOM 1790 HH11 ARG A 229 61.320 -16.690 25.815 1.00 0.00 H ATOM 1791 HH22 ARG A 229 59.845 -17.884 22.817 1.00 0.00 H ATOM 1792 HH21 ARG A 229 60.565 -16.592 21.788 1.00 0.00 H ATOM 1793 H ARG A 229 66.269 -14.416 28.090 1.00 0.00 H ATOM 1794 N TYR A 230 67.658 -14.904 25.282 1.00 16.21 N ATOM 1795 CA TYR A 230 68.603 -14.781 24.176 1.00 16.66 C ATOM 1796 C TYR A 230 70.029 -14.868 24.703 1.00 20.65 C ATOM 1797 O TYR A 230 70.646 -13.850 25.015 1.00 19.46 O ATOM 1798 CB TYR A 230 68.371 -13.462 23.429 1.00 15.46 C ATOM 1799 CG TYR A 230 66.921 -13.256 23.019 1.00 17.26 C ATOM 1800 CD1 TYR A 230 66.273 -14.175 22.203 1.00 17.77 C ATOM 1801 CD2 TYR A 230 66.200 -12.154 23.459 1.00 14.60 C ATOM 1802 CE1 TYR A 230 64.945 -13.998 21.829 1.00 18.94 C ATOM 1803 CE2 TYR A 230 64.877 -11.972 23.090 1.00 12.84 C ATOM 1804 CZ TYR A 230 64.255 -12.899 22.279 1.00 21.80 C ATOM 1805 OH TYR A 230 62.941 -12.723 21.915 1.00 20.63 O ATOM 1806 HH TYR A 230 62.656 -13.475 21.337 1.00 0.00 H ATOM 1807 H TYR A 230 67.665 -14.181 26.030 1.00 0.00 H ATOM 1808 N ARG A 231 70.538 -16.095 24.805 1.00 25.69 N ATOM 1809 CA ARG A 231 71.826 -16.366 25.447 1.00 24.98 C ATOM 1810 C ARG A 231 73.025 -16.102 24.537 1.00 26.48 C ATOM 1811 O ARG A 231 74.171 -16.048 25.002 1.00 27.00 O ATOM 1812 CB ARG A 231 71.870 -17.821 25.931 1.00 28.46 C ATOM 1813 CG ARG A 231 70.945 -18.112 27.103 1.00 33.09 C ATOM 1814 CD ARG A 231 71.474 -17.505 28.398 1.00 41.44 C ATOM 1815 NE ARG A 231 72.794 -18.037 28.745 1.00 54.07 N ATOM 1816 CZ ARG A 231 73.008 -19.102 29.517 1.00 60.62 C ATOM 1817 NH1 ARG A 231 71.993 -19.776 30.051 1.00 59.87 N ATOM 1818 NH2 ARG A 231 74.252 -19.497 29.758 1.00 62.39 N ATOM 1819 HE ARG A 231 73.627 -17.547 28.360 1.00 0.00 H ATOM 1820 HH12 ARG A 231 72.178 -20.605 30.651 1.00 0.00 H ATOM 1821 HH11 ARG A 231 71.015 -19.474 29.868 1.00 0.00 H ATOM 1822 HH22 ARG A 231 74.427 -20.327 30.360 1.00 0.00 H ATOM 1823 HH21 ARG A 231 75.052 -18.976 29.345 1.00 0.00 H ATOM 1824 H ARG A 231 69.999 -16.893 24.413 1.00 0.00 H ATOM 1825 N ASN A 232 72.760 -15.948 23.243 1.00 26.39 N ATOM 1826 CA ASN A 232 73.808 -15.710 22.251 1.00 25.61 C ATOM 1827 C ASN A 232 73.370 -14.590 21.322 1.00 30.57 C ATOM 1828 O ASN A 232 72.556 -14.812 20.423 1.00 29.25 O ATOM 1829 CB ASN A 232 74.097 -16.990 21.459 1.00 28.69 C ATOM 1830 CG ASN A 232 75.150 -16.797 20.373 1.00 37.73 C ATOM 1831 OD1 ASN A 232 76.004 -15.920 20.462 1.00 37.40 O ATOM 1832 ND2 ASN A 232 75.095 -17.640 19.345 1.00 45.95 N ATOM 1833 HD22 ASN A 232 74.354 -18.369 19.309 1.00 0.00 H ATOM 1834 HD21 ASN A 232 75.793 -17.570 18.577 1.00 0.00 H ATOM 1835 H ASN A 232 71.771 -15.999 22.925 1.00 0.00 H ATOM 1836 N ILE A 233 73.910 -13.392 21.554 1.00 22.88 N ATOM 1837 CA ILE A 233 73.487 -12.182 20.852 1.00 18.83 C ATOM 1838 C ILE A 233 74.647 -11.556 20.089 1.00 19.81 C ATOM 1839 O ILE A 233 75.742 -11.412 20.629 1.00 23.88 O ATOM 1840 CB ILE A 233 72.913 -11.133 21.827 1.00 23.47 C ATOM 1841 CG1 ILE A 233 71.760 -11.730 22.634 1.00 22.13 C ATOM 1842 CG2 ILE A 233 72.430 -9.903 21.056 1.00 22.47 C ATOM 1843 CD1 ILE A 233 71.282 -10.845 23.775 1.00 22.60 C ATOM 1844 H ILE A 233 74.665 -13.316 22.265 1.00 0.00 H ATOM 1845 N ASN A 234 74.402 -11.183 18.836 1.00 21.77 N ATOM 1846 CA ASN A 234 75.447 -10.629 17.975 1.00 23.68 C ATOM 1847 C ASN A 234 75.502 -9.111 18.028 1.00 33.02 C ATOM 1848 O ASN A 234 76.579 -8.526 18.137 1.00 49.74 O ATOM 1849 CB ASN A 234 75.233 -11.086 16.537 1.00 25.76 C ATOM 1850 CG ASN A 234 75.658 -12.517 16.319 1.00 35.31 C ATOM 1851 OD1 ASN A 234 76.593 -13.001 16.961 1.00 37.88 O ATOM 1852 ND2 ASN A 234 74.973 -13.208 15.418 1.00 38.34 N ATOM 1853 HD22 ASN A 234 74.192 -12.757 14.901 1.00 0.00 H ATOM 1854 HD21 ASN A 234 75.217 -14.201 15.229 1.00 0.00 H ATOM 1855 H ASN A 234 73.439 -11.288 18.457 1.00 0.00 H ATOM 1856 N ALA A 235 74.336 -8.482 17.939 1.00 24.63 N ATOM 1857 CA ALA A 235 74.224 -7.029 18.028 1.00 19.55 C ATOM 1858 C ALA A 235 72.991 -6.661 18.829 1.00 17.64 C ATOM 1859 O ALA A 235 71.976 -7.350 18.754 1.00 18.54 O ATOM 1860 CB ALA A 235 74.156 -6.410 16.650 1.00 24.97 C ATOM 1861 H ALA A 235 73.472 -9.044 17.801 1.00 0.00 H ATOM 1862 N VAL A 236 73.090 -5.570 19.582 1.00 18.11 N ATOM 1863 CA VAL A 236 71.970 -5.021 20.333 1.00 16.28 C ATOM 1864 C VAL A 236 71.756 -3.576 19.901 1.00 16.18 C ATOM 1865 O VAL A 236 72.680 -2.760 19.978 1.00 16.83 O ATOM 1866 CB VAL A 236 72.215 -5.068 21.851 1.00 15.65 C ATOM 1867 CG1 VAL A 236 71.069 -4.411 22.599 1.00 13.12 C ATOM 1868 CG2 VAL A 236 72.415 -6.501 22.327 1.00 17.19 C ATOM 1869 H VAL A 236 74.009 -5.087 19.637 1.00 0.00 H ATOM 1870 N VAL A 237 70.554 -3.277 19.416 1.00 14.12 N ATOM 1871 CA VAL A 237 70.200 -1.921 19.007 1.00 16.87 C ATOM 1872 C VAL A 237 69.421 -1.245 20.143 1.00 16.88 C ATOM 1873 O VAL A 237 68.323 -1.692 20.507 1.00 15.86 O ATOM 1874 CB VAL A 237 69.364 -1.917 17.710 1.00 15.90 C ATOM 1875 CG1 VAL A 237 69.131 -0.495 17.221 1.00 20.36 C ATOM 1876 CG2 VAL A 237 70.067 -2.726 16.635 1.00 18.03 C ATOM 1877 H VAL A 237 69.845 -4.032 19.325 1.00 0.00 H ATOM 1878 N PRO A 238 69.995 -0.180 20.729 1.00 13.22 N ATOM 1879 CA PRO A 238 69.279 0.522 21.797 1.00 18.60 C ATOM 1880 C PRO A 238 68.294 1.513 21.197 1.00 12.50 C ATOM 1881 O PRO A 238 68.417 1.824 20.011 1.00 15.08 O ATOM 1882 CB PRO A 238 70.398 1.239 22.553 1.00 22.25 C ATOM 1883 CG PRO A 238 71.382 1.573 21.484 1.00 18.66 C ATOM 1884 CD PRO A 238 71.325 0.420 20.490 1.00 14.52 C ATOM 1885 N GLY A 239 67.353 2.006 21.997 1.00 13.95 N ATOM 1886 CA GLY A 239 66.373 2.959 21.521 1.00 13.05 C ATOM 1887 C GLY A 239 67.004 4.262 21.082 1.00 18.68 C ATOM 1888 O GLY A 239 66.526 4.919 20.158 1.00 15.91 O ATOM 1889 H GLY A 239 67.320 1.699 22.990 1.00 0.00 H ATOM 1890 N HIS A 240 68.090 4.625 21.762 1.00 17.08 N ATOM 1891 CA HIS A 240 68.863 5.822 21.477 1.00 19.98 C ATOM 1892 C HIS A 240 70.335 5.476 21.600 1.00 16.08 C ATOM 1893 O HIS A 240 70.718 4.755 22.509 1.00 20.40 O ATOM 1894 CB HIS A 240 68.506 6.949 22.451 1.00 25.06 C ATOM 1895 CG HIS A 240 67.036 7.178 22.577 1.00 19.60 C ATOM 1896 ND1 HIS A 240 66.358 8.086 21.791 1.00 18.95 N ATOM 1897 CD2 HIS A 240 66.106 6.592 23.367 1.00 17.61 C ATOM 1898 CE1 HIS A 240 65.075 8.058 22.100 1.00 17.24 C ATOM 1899 NE2 HIS A 240 64.893 7.156 23.049 1.00 17.72 N ATOM 1900 H HIS A 240 68.404 4.015 22.544 1.00 0.00 H ATOM 1901 N GLY A 241 71.148 5.975 20.678 1.00 17.53 N ATOM 1902 CA GLY A 241 72.589 5.842 20.780 1.00 21.97 C ATOM 1903 C GLY A 241 73.175 4.789 19.862 1.00 18.81 C ATOM 1904 O GLY A 241 72.486 4.225 19.018 1.00 20.79 O ATOM 1905 H GLY A 241 70.742 6.474 19.861 1.00 0.00 H ATOM 1906 N GLU A 242 74.459 4.506 20.045 1.00 20.71 N ATOM 1907 CA GLU A 242 75.168 3.618 19.139 1.00 20.37 C ATOM 1908 C GLU A 242 74.785 2.158 19.358 1.00 19.85 C ATOM 1909 O GLU A 242 74.416 1.754 20.454 1.00 21.60 O ATOM 1910 CB GLU A 242 76.685 3.808 19.294 1.00 24.50 C ATOM 1911 CG GLU A 242 77.183 5.175 18.832 1.00 36.11 C ATOM 1912 CD GLU A 242 77.051 5.376 17.328 1.00 54.43 C ATOM 1913 OE1 GLU A 242 76.964 4.366 16.595 1.00 60.83 O ATOM 1914 OE2 GLU A 242 77.034 6.543 16.880 1.00 60.11 O ATOM 1915 H GLU A 242 74.966 4.927 20.850 1.00 0.00 H ATOM 1916 N VAL A 243 74.847 1.383 18.281 1.00 20.73 N ATOM 1917 CA VAL A 243 74.629 -0.051 18.347 1.00 18.75 C ATOM 1918 C VAL A 243 75.777 -0.694 19.118 1.00 19.21 C ATOM 1919 O VAL A 243 76.936 -0.309 18.956 1.00 20.80 O ATOM 1920 CB VAL A 243 74.519 -0.668 16.932 1.00 21.61 C ATOM 1921 CG1 VAL A 243 74.537 -2.193 16.996 1.00 18.62 C ATOM 1922 CG2 VAL A 243 73.243 -0.169 16.238 1.00 24.40 C ATOM 1923 H VAL A 243 75.059 1.818 17.360 1.00 0.00 H ATOM 1924 N GLY A 244 75.443 -1.665 19.961 1.00 19.83 N ATOM 1925 CA GLY A 244 76.435 -2.375 20.745 1.00 25.42 C ATOM 1926 C GLY A 244 76.132 -3.855 20.760 1.00 31.57 C ATOM 1927 O GLY A 244 75.598 -4.406 19.791 1.00 22.77 O ATOM 1928 H GLY A 244 74.441 -1.923 20.062 1.00 0.00 H ATOM 1929 N ASP A 245 76.472 -4.506 21.863 1.00 23.20 N ATOM 1930 CA ASP A 245 76.189 -5.921 22.013 1.00 21.23 C ATOM 1931 C ASP A 245 75.566 -6.189 23.381 1.00 20.40 C ATOM 1932 O ASP A 245 74.961 -5.299 23.979 1.00 18.72 O ATOM 1933 CB ASP A 245 77.465 -6.745 21.795 1.00 20.17 C ATOM 1934 CG ASP A 245 78.607 -6.345 22.727 1.00 30.59 C ATOM 1935 OD1 ASP A 245 78.368 -5.699 23.764 1.00 22.27 O ATOM 1936 OD2 ASP A 245 79.759 -6.689 22.410 1.00 32.97 O ATOM 1937 H ASP A 245 76.949 -3.995 22.633 1.00 0.00 H ATOM 1938 N LYS A 246 75.695 -7.420 23.859 1.00 23.51 N ATOM 1939 CA LYS A 246 75.182 -7.805 25.168 1.00 22.45 C ATOM 1940 C LYS A 246 75.642 -6.834 26.266 1.00 23.04 C ATOM 1941 O LYS A 246 74.956 -6.648 27.276 1.00 21.86 O ATOM 1942 CB LYS A 246 75.632 -9.235 25.472 1.00 26.93 C ATOM 1943 CG LYS A 246 75.384 -9.727 26.880 1.00 42.78 C ATOM 1944 CD LYS A 246 75.920 -11.144 27.037 1.00 41.12 C ATOM 1945 CE LYS A 246 75.981 -11.572 28.497 1.00 42.20 C ATOM 1946 NZ LYS A 246 76.729 -12.855 28.668 1.00 44.79 N ATOM 1947 HZ1 LYS A 246 76.255 -13.606 28.126 1.00 0.00 H ATOM 1948 HZ2 LYS A 246 77.702 -12.736 28.321 1.00 0.00 H ATOM 1949 HZ3 LYS A 246 76.748 -13.112 29.676 1.00 0.00 H ATOM 1950 H LYS A 246 76.179 -8.135 23.280 1.00 0.00 H ATOM 1951 N GLY A 247 76.803 -6.217 26.060 1.00 18.28 N ATOM 1952 CA GLY A 247 77.329 -5.246 27.006 1.00 20.00 C ATOM 1953 C GLY A 247 76.343 -4.136 27.347 1.00 17.38 C ATOM 1954 O GLY A 247 76.378 -3.597 28.455 1.00 18.15 O ATOM 1955 H GLY A 247 77.348 -6.435 25.201 1.00 0.00 H ATOM 1956 N LEU A 248 75.465 -3.788 26.402 1.00 18.23 N ATOM 1957 CA LEU A 248 74.478 -2.731 26.648 1.00 15.49 C ATOM 1958 C LEU A 248 73.463 -3.153 27.681 1.00 17.96 C ATOM 1959 O LEU A 248 72.945 -2.322 28.427 1.00 15.10 O ATOM 1960 CB LEU A 248 73.739 -2.336 25.365 1.00 14.93 C ATOM 1961 CG LEU A 248 74.629 -1.775 24.254 1.00 18.88 C ATOM 1962 CD1 LEU A 248 73.760 -1.224 23.147 1.00 15.82 C ATOM 1963 CD2 LEU A 248 75.585 -0.703 24.767 1.00 25.51 C ATOM 1964 H LEU A 248 75.481 -4.272 25.482 1.00 0.00 H ATOM 1965 N LEU A 249 73.155 -4.442 27.701 1.00 14.23 N ATOM 1966 CA LEU A 249 72.223 -4.974 28.680 1.00 14.52 C ATOM 1967 C LEU A 249 72.875 -4.911 30.069 1.00 14.34 C ATOM 1968 O LEU A 249 72.239 -4.517 31.059 1.00 13.77 O ATOM 1969 CB LEU A 249 71.827 -6.406 28.310 1.00 13.49 C ATOM 1970 CG LEU A 249 71.083 -6.542 26.978 1.00 22.38 C ATOM 1971 CD1 LEU A 249 71.009 -7.997 26.532 1.00 27.54 C ATOM 1972 CD2 LEU A 249 69.703 -5.967 27.115 1.00 20.25 C ATOM 1973 H LEU A 249 73.587 -5.082 27.005 1.00 0.00 H ATOM 1974 N LEU A 250 74.153 -5.275 30.128 1.00 17.28 N ATOM 1975 CA LEU A 250 74.895 -5.201 31.376 1.00 16.20 C ATOM 1976 C LEU A 250 75.049 -3.748 31.831 1.00 20.19 C ATOM 1977 O LEU A 250 74.938 -3.449 33.017 1.00 16.45 O ATOM 1978 CB LEU A 250 76.268 -5.861 31.226 1.00 17.67 C ATOM 1979 CG LEU A 250 76.241 -7.314 30.734 1.00 19.52 C ATOM 1980 CD1 LEU A 250 77.642 -7.893 30.739 1.00 22.30 C ATOM 1981 CD2 LEU A 250 75.302 -8.181 31.567 1.00 25.13 C ATOM 1982 H LEU A 250 74.628 -5.618 29.269 1.00 0.00 H ATOM 1983 N HIS A 251 75.313 -2.854 30.884 1.00 16.44 N ATOM 1984 CA HIS A 251 75.394 -1.428 31.180 1.00 17.42 C ATOM 1985 C HIS A 251 74.088 -0.926 31.800 1.00 20.15 C ATOM 1986 O HIS A 251 74.102 -0.161 32.770 1.00 16.92 O ATOM 1987 CB HIS A 251 75.727 -0.650 29.906 1.00 17.10 C ATOM 1988 CG HIS A 251 75.700 0.837 30.062 1.00 20.64 C ATOM 1989 ND1 HIS A 251 76.507 1.518 30.951 1.00 18.77 N ATOM 1990 CD2 HIS A 251 74.976 1.780 29.413 1.00 22.53 C ATOM 1991 CE1 HIS A 251 76.272 2.814 30.849 1.00 19.79 C ATOM 1992 NE2 HIS A 251 75.353 3.001 29.918 1.00 20.13 N ATOM 1993 H HIS A 251 75.466 -3.179 29.908 1.00 0.00 H ATOM 1994 N THR A 252 72.961 -1.367 31.248 1.00 18.11 N ATOM 1995 CA THR A 252 71.660 -0.958 31.757 1.00 13.65 C ATOM 1996 C THR A 252 71.454 -1.464 33.178 1.00 14.18 C ATOM 1997 O THR A 252 71.001 -0.714 34.037 1.00 14.43 O ATOM 1998 CB THR A 252 70.517 -1.454 30.838 1.00 13.01 C ATOM 1999 OG1 THR A 252 70.691 -0.890 29.535 1.00 13.59 O ATOM 2000 CG2 THR A 252 69.149 -1.032 31.380 1.00 18.93 C ATOM 2001 HG1 THR A 252 71.565 -1.176 29.167 1.00 0.00 H ATOM 2002 H THR A 252 73.010 -2.016 30.437 1.00 0.00 H ATOM 2003 N LEU A 253 71.810 -2.723 33.439 1.00 13.96 N ATOM 2004 CA LEU A 253 71.766 -3.255 34.805 1.00 17.45 C ATOM 2005 C LEU A 253 72.586 -2.401 35.776 1.00 16.55 C ATOM 2006 O LEU A 253 72.153 -2.148 36.896 1.00 15.56 O ATOM 2007 CB LEU A 253 72.263 -4.700 34.838 1.00 17.09 C ATOM 2008 CG LEU A 253 71.327 -5.752 34.214 1.00 19.09 C ATOM 2009 CD1 LEU A 253 71.935 -7.144 34.283 1.00 22.03 C ATOM 2010 CD2 LEU A 253 69.950 -5.735 34.881 1.00 15.04 C ATOM 2011 H LEU A 253 72.124 -3.337 32.661 1.00 0.00 H ATOM 2012 N ASP A 254 73.761 -1.952 35.353 1.00 16.20 N ATOM 2013 CA ASP A 254 74.585 -1.132 36.238 1.00 17.39 C ATOM 2014 C ASP A 254 73.932 0.215 36.527 1.00 17.27 C ATOM 2015 O ASP A 254 74.016 0.720 37.644 1.00 18.01 O ATOM 2016 CB ASP A 254 75.966 -0.891 35.657 1.00 18.54 C ATOM 2017 CG ASP A 254 76.913 -0.280 36.676 1.00 20.06 C ATOM 2018 OD1 ASP A 254 77.023 -0.842 37.782 1.00 20.51 O ATOM 2019 OD2 ASP A 254 77.525 0.764 36.381 1.00 21.06 O ATOM 2020 H ASP A 254 74.094 -2.183 34.395 1.00 0.00 H ATOM 2021 N LEU A 255 73.262 0.782 35.531 1.00 17.19 N ATOM 2022 CA LEU A 255 72.620 2.085 35.705 1.00 20.50 C ATOM 2023 C LEU A 255 71.442 2.007 36.665 1.00 19.21 C ATOM 2024 O LEU A 255 71.020 3.020 37.225 1.00 20.69 O ATOM 2025 CB LEU A 255 72.150 2.635 34.361 1.00 19.60 C ATOM 2026 CG LEU A 255 73.257 3.064 33.404 1.00 17.77 C ATOM 2027 CD1 LEU A 255 72.641 3.421 32.062 1.00 22.81 C ATOM 2028 CD2 LEU A 255 74.062 4.227 33.954 1.00 18.37 C ATOM 2029 H LEU A 255 73.193 0.294 34.615 1.00 0.00 H ATOM 2030 N LEU A 256 70.906 0.801 36.825 1.00 15.32 N ATOM 2031 CA LEU A 256 69.769 0.548 37.702 1.00 17.73 C ATOM 2032 C LEU A 256 70.172 0.360 39.166 1.00 22.32 C ATOM 2033 O LEU A 256 69.322 0.167 40.040 1.00 16.84 O ATOM 2034 CB LEU A 256 69.018 -0.684 37.217 1.00 14.31 C ATOM 2035 CG LEU A 256 68.160 -0.397 35.984 1.00 13.10 C ATOM 2036 CD1 LEU A 256 67.867 -1.667 35.215 1.00 12.41 C ATOM 2037 CD2 LEU A 256 66.861 0.311 36.391 1.00 14.39 C ATOM 2038 H LEU A 256 71.316 0.002 36.301 1.00 0.00 H ATOM 2039 N LYS A 257 71.467 0.414 39.442 1.00 20.35 N ATOM 2040 CA LYS A 257 71.928 0.236 40.809 1.00 21.69 C ATOM 2041 C LYS A 257 72.003 1.561 41.557 1.00 30.52 C ATOM 2042 O LYS A 257 71.984 2.642 40.966 1.00 25.66 O ATOM 2043 CB LYS A 257 73.279 -0.472 40.817 1.00 28.39 C ATOM 2044 CG LYS A 257 73.113 -1.973 40.722 1.00 27.53 C ATOM 2045 CD LYS A 257 74.386 -2.645 40.352 1.00 45.43 C ATOM 2046 CE LYS A 257 74.195 -4.140 40.259 1.00 51.53 C ATOM 2047 NZ LYS A 257 75.499 -4.828 40.095 1.00 59.87 N ATOM 2048 OXT LYS A 257 72.058 1.564 42.783 1.00 30.28 O ATOM 2049 HZ1 LYS A 257 75.959 -4.493 39.224 1.00 0.00 H ATOM 2050 HZ2 LYS A 257 76.106 -4.617 40.913 1.00 0.00 H ATOM 2051 HZ3 LYS A 257 75.343 -5.854 40.033 1.00 0.00 H ATOM 2052 H LYS A 257 72.154 0.584 38.680 1.00 0.00 H TER 2053 LYS A 257 HETATM 2054 ZN ZN A 1 63.003 6.222 23.677 1.00 21.04 ZN HETATM 2055 ZN ZN A 2 60.030 5.821 25.946 1.00 15.51 ZN HETATM 2056 O HOH 3 77.047 -3.226 39.473 1.00 38.19 O HETATM 2057 O HOH 4 75.269 -6.910 41.217 1.00 25.93 O HETATM 2058 O HOH 5 77.802 2.497 34.660 1.00 29.07 O HETATM 2059 O HOH 6 50.200 14.557 12.444 1.00 48.45 O HETATM 2060 O HOH 7 60.199 12.420 1.275 1.00 33.27 O HETATM 2061 O HOH 8 39.485 1.216 21.181 1.00 46.31 O HETATM 2062 O HOH 9 74.302 2.926 38.887 1.00 32.28 O HETATM 2063 O HOH 10 45.547 11.469 14.809 1.00 47.51 O HETATM 2064 O HOH 11 46.340 -4.337 27.880 1.00 27.41 O HETATM 2065 O HOH 12 76.656 0.538 39.940 1.00 22.09 O HETATM 2066 O HOH 13 65.794 0.279 42.600 1.00 42.66 O HETATM 2067 O HOH 14 75.131 -16.164 27.417 1.00 36.91 O HETATM 2068 O HOH 15 54.310 9.997 -0.255 1.00 22.64 O HETATM 2069 O HOH 16 59.619 7.215 -2.002 1.00 16.99 O HETATM 2070 O HOH 17 60.531 -15.173 0.187 1.00 42.37 O HETATM 2071 O HOH 18 58.826 -4.254 42.544 1.00 27.87 O HETATM 2072 O HOH 19 57.135 6.549 -0.928 1.00 16.58 O HETATM 2073 O HOH 20 68.925 -17.891 16.850 1.00 31.67 O HETATM 2074 O HOH 21 75.335 -4.614 37.431 1.00 29.28 O HETATM 2075 O HOH 22 47.164 0.574 9.910 1.00 32.13 O HETATM 2076 O HOH 23 52.360 3.047 32.775 1.00 12.33 O HETATM 2077 O HOH 24 71.515 5.608 36.653 1.00 26.78 O HETATM 2078 O HOH 25 73.882 7.091 36.752 1.00 31.90 O HETATM 2079 O HOH 26 45.937 -9.474 21.334 1.00 37.65 O HETATM 2080 O HOH 27 45.769 9.849 2.572 1.00 28.96 O HETATM 2081 O HOH 28 44.339 -2.719 23.757 1.00 24.11 O HETATM 2082 O HOH 29 45.453 8.088 10.359 1.00 24.52 O HETATM 2083 O HOH 30 50.191 -3.109 4.760 1.00 14.95 O HETATM 2084 O HOH 31 44.408 10.358 8.786 1.00 32.55 O HETATM 2085 O HOH 32 71.121 -17.209 13.717 1.00 26.27 O HETATM 2086 O HOH 33 54.298 5.447 1.375 1.00 15.37 O HETATM 2087 O HOH 34 66.224 -18.798 12.396 1.00 33.47 O HETATM 2088 O HOH 35 43.003 3.275 26.852 1.00 21.67 O HETATM 2089 O HOH 36 38.940 1.996 25.442 1.00 28.33 O HETATM 2090 O HOH 37 57.421 13.885 3.142 1.00 36.23 O HETATM 2091 O HOH 38 76.433 -4.852 34.970 1.00 18.23 O HETATM 2092 O HOH 39 60.391 3.638 38.687 1.00 26.61 O HETATM 2093 O HOH 40 53.918 4.316 34.878 1.00 30.93 O HETATM 2094 O HOH 41 68.148 -19.544 29.754 1.00 34.93 O HETATM 2095 O HOH 42 54.654 13.260 2.160 1.00 43.16 O HETATM 2096 O HOH 43 60.456 5.692 38.334 1.00 23.02 O HETATM 2097 O HOH 44 43.069 -0.129 23.458 1.00 29.54 O HETATM 2098 O HOH 45 46.660 -7.103 3.885 1.00 39.51 O HETATM 2099 O HOH 46 54.371 -5.524 -0.517 1.00 23.43 O HETATM 2100 O HOH 47 47.400 -1.058 11.933 1.00 15.81 O HETATM 2101 O HOH 48 53.436 -13.315 1.445 1.00 55.32 O HETATM 2102 O HOH 49 52.606 12.837 16.615 1.00 27.26 O HETATM 2103 O HOH 50 77.317 -3.694 37.365 1.00 46.82 O HETATM 2104 O HOH 51 62.742 11.204 35.455 1.00 27.35 O HETATM 2105 O HOH 52 62.472 11.117 2.103 1.00 37.82 O HETATM 2106 O HOH 53 69.083 -18.502 23.993 1.00 31.14 O HETATM 2107 O HOH 54 43.531 12.570 20.066 1.00 46.78 O HETATM 2108 O HOH 55 44.391 10.973 17.701 1.00 38.97 O HETATM 2109 O HOH 56 53.064 14.428 14.131 1.00 28.47 O HETATM 2110 O HOH 57 70.353 -16.433 21.539 1.00 27.88 O HETATM 2111 O HOH 58 78.328 -0.410 27.476 1.00 37.68 O HETATM 2112 O HOH 59 56.213 -4.083 -2.080 1.00 14.93 O HETATM 2113 O HOH 60 54.298 13.152 18.221 1.00 42.15 O HETATM 2114 O HOH 61 80.519 4.902 31.546 1.00 38.03 O HETATM 2115 O HOH 62 38.683 4.292 25.919 1.00 35.22 O HETATM 2116 O HOH 63 50.792 5.314 32.162 1.00 37.43 O HETATM 2117 O HOH 64 51.263 3.893 34.660 1.00 44.80 O HETATM 2118 O HOH 65 52.867 6.176 33.875 1.00 44.00 O HETATM 2119 O HOH 66 67.103 -20.059 26.724 1.00 45.69 O HETATM 2120 O HOH 67 48.260 9.733 16.349 1.00 35.55 O HETATM 2121 O HOH 68 52.183 -5.918 32.621 1.00 40.89 O HETATM 2122 O HOH 69 75.474 -16.338 14.741 1.00 37.20 O HETATM 2123 O HOH 70 61.380 -5.395 -5.458 1.00 44.33 O HETATM 2124 O HOH 71 45.823 2.394 30.097 1.00 29.12 O HETATM 2125 O HOH 72 42.248 9.890 25.663 1.00 44.14 O HETATM 2126 O HOH 73 59.515 -1.659 -7.730 1.00 34.55 O HETATM 2127 O HOH 74 51.663 7.265 0.665 1.00 18.68 O HETATM 2128 O HOH 75 70.854 -17.643 32.320 1.00 49.27 O HETATM 2129 O HOH 76 43.343 2.628 29.516 1.00 21.42 O HETATM 2130 O HOH 77 57.611 -6.609 -2.159 1.00 32.62 O HETATM 2131 O HOH 78 78.881 -2.329 26.459 1.00 31.71 O HETATM 2132 O HOH 79 77.802 6.553 34.660 1.00 33.44 O HETATM 2133 O HOH 80 50.477 -7.972 2.966 1.00 40.84 O HETATM 2134 O HOH 81 62.546 10.193 -0.816 1.00 41.88 O HETATM 2135 O HOH 82 79.340 -13.685 14.778 1.00 48.02 O HETATM 2136 O HOH 83 63.137 -14.867 0.232 1.00 46.93 O HETATM 2137 O HOH 84 44.103 -3.729 21.359 1.00 28.47 O HETATM 2138 O HOH 85 77.509 4.604 36.613 1.00 25.75 O HETATM 2139 O HOH 86 62.949 -0.988 46.914 1.00 50.42 O HETATM 2140 O HOH 87 41.407 5.517 26.772 1.00 24.05 O HETATM 2141 O HOH 88 81.185 -1.207 25.045 1.00 47.17 O HETATM 2142 O HOH 89 47.688 -6.465 28.323 1.00 20.86 O HETATM 2143 O HOH 90 51.376 -7.214 30.208 1.00 23.83 O HETATM 2144 O HOH 91 41.583 1.203 25.767 1.00 28.96 O HETATM 2145 O HOH 92 64.768 11.421 37.440 1.00 32.99 O HETATM 2146 O HOH 93 60.103 -2.617 -10.030 1.00 23.54 O HETATM 2147 O HOH 94 61.526 6.661 40.262 1.00 23.51 O HETATM 2148 O HOH 95 80.497 -10.190 30.251 1.00 37.24 O HETATM 2149 O HOH 96 69.817 8.983 -0.335 1.00 39.67 O HETATM 2150 O HOH 97 62.572 -1.996 -10.185 1.00 47.60 O HETATM 2151 O HOH 98 68.692 6.462 -0.219 1.00 43.00 O HETATM 2152 O HOH 99 61.133 0.563 23.082 1.00 11.29 O HETATM 2153 O HOH 100 53.237 -4.342 26.360 1.00 9.34 O HETATM 2154 O HOH 101 49.528 -6.515 26.314 1.00 12.18 O HETATM 2155 O HOH 102 61.911 -1.820 24.520 1.00 11.96 O HETATM 2156 O HOH 103 53.943 -3.075 21.868 1.00 9.81 O HETATM 2157 O HOH 104 55.567 -9.533 22.074 1.00 15.80 O HETATM 2158 O HOH 105 70.594 -3.827 38.316 1.00 14.89 O HETATM 2159 O HOH 106 52.104 -6.737 27.546 1.00 16.30 O HETATM 2160 O HOH 107 65.593 -13.327 11.646 1.00 17.28 O HETATM 2161 O HOH 108 63.848 5.920 31.163 1.00 19.77 O HETATM 2162 O HOH 109 54.738 3.154 31.623 1.00 14.97 O HETATM 2163 O HOH 110 68.000 3.714 24.749 1.00 17.60 O HETATM 2164 O HOH 111 57.499 -6.714 35.270 1.00 15.24 O HETATM 2165 O HOH 112 50.693 10.406 14.515 1.00 17.49 O HETATM 2166 O HOH 113 59.910 6.408 31.351 1.00 20.35 O HETATM 2167 O HOH 114 60.065 -7.873 35.264 1.00 19.35 O HETATM 2168 O HOH 115 76.787 -9.880 22.573 1.00 26.24 O HETATM 2169 O HOH 116 66.028 4.720 26.688 1.00 19.36 O HETATM 2170 O HOH 117 76.108 2.053 22.684 1.00 18.03 O HETATM 2171 O HOH 118 65.693 0.363 19.268 1.00 16.54 O HETATM 2172 O HOH 119 70.309 5.251 25.549 1.00 16.94 O HETATM 2173 O HOH 120 70.441 7.074 18.144 1.00 18.63 O HETATM 2174 O HOH 121 63.004 -14.956 29.645 1.00 22.47 O HETATM 2175 O HOH 122 48.836 -8.136 24.086 1.00 21.10 O HETATM 2176 O HOH 123 73.374 -10.656 35.043 1.00 34.17 O HETATM 2177 O HOH 124 63.416 6.044 15.771 1.00 19.79 O HETATM 2178 O HOH 125 52.745 -15.422 24.349 1.00 21.15 O HETATM 2179 O HOH 126 61.904 -16.660 27.695 1.00 22.75 O HETATM 2180 O HOH 127 59.893 -7.915 38.069 1.00 26.00 O HETATM 2181 O HOH 128 43.975 -1.743 19.035 1.00 27.47 O HETATM 2182 O HOH 129 70.077 -8.608 37.728 1.00 25.90 O HETATM 2183 O HOH 130 50.116 11.809 8.719 1.00 26.83 O HETATM 2184 O HOH 131 53.223 -16.379 17.658 1.00 20.45 O HETATM 2185 O HOH 132 45.793 -0.312 14.087 1.00 17.18 O HETATM 2186 O HOH 133 61.349 5.172 16.629 1.00 25.65 O HETATM 2187 O HOH 134 71.549 -6.521 38.547 1.00 21.04 O HETATM 2188 O HOH 135 64.788 9.805 28.773 1.00 36.04 O HETATM 2189 O HOH 136 65.877 6.208 38.864 1.00 35.10 O HETATM 2190 O HOH 137 64.102 -5.571 39.012 1.00 25.22 O HETATM 2191 O HOH 138 69.878 3.850 39.532 1.00 21.27 O HETATM 2192 O HOH 139 57.539 14.302 19.143 1.00 29.63 O HETATM 2193 O HOH 140 54.839 16.007 12.091 1.00 24.70 O HETATM 2194 O HOH 141 66.703 0.913 40.368 1.00 28.36 O HETATM 2195 O HOH 142 59.173 -10.448 34.901 1.00 28.65 O HETATM 2196 O HOH 143 69.651 7.365 36.380 1.00 31.25 O HETATM 2197 O HOH 144 72.863 -12.841 26.090 1.00 36.64 O HETATM 2198 O HOH 145 65.840 -2.743 39.004 1.00 27.14 O HETATM 2199 O HOH 146 73.597 10.477 29.971 1.00 30.03 O HETATM 2200 O HOH 147 66.058 6.690 -0.942 1.00 20.80 O HETATM 2201 O HOH 148 65.374 9.487 -0.975 1.00 33.01 O HETATM 2202 O HOH 149 51.759 7.780 25.048 1.00 48.18 O HETATM 2203 O HOH 150 75.851 2.506 15.767 1.00 28.63 O HETATM 2204 O HOH 151 57.486 14.669 5.766 1.00 29.00 O HETATM 2205 O HOH 152 51.791 -7.293 5.266 1.00 27.34 O HETATM 2206 O HOH 153 72.709 8.465 17.508 1.00 29.24 O HETATM 2207 O HOH 154 65.959 -11.551 37.614 1.00 35.50 O HETATM 2208 O HOH 155 69.381 7.965 28.973 1.00 28.82 O HETATM 2209 O HOH 156 78.230 0.547 21.748 1.00 30.68 O HETATM 2210 O HOH 157 59.698 16.899 12.522 1.00 36.47 O HETATM 2211 O HOH 158 42.739 6.859 19.919 1.00 29.08 O HETATM 2212 O HOH 159 66.608 -17.509 18.189 1.00 24.41 O HETATM 2213 O HOH 160 51.366 -14.817 19.306 1.00 27.50 O HETATM 2214 O HOH 161 43.197 5.541 13.315 1.00 44.07 O HETATM 2215 O HOH 162 71.258 4.555 11.738 1.00 25.06 O HETATM 2216 O HOH 163 43.211 -1.170 14.641 1.00 31.52 O HETATM 2217 O HOH 164 73.371 0.369 -0.379 1.00 36.88 O HETATM 2218 O HOH 165 55.112 10.499 24.171 1.00 31.64 O HETATM 2219 O HOH 166 52.329 -8.960 26.366 1.00 26.61 O HETATM 2220 O HOH 167 79.133 -9.431 18.874 1.00 44.25 O HETATM 2221 O HOH 168 51.204 -8.698 8.384 1.00 29.49 O HETATM 2222 O HOH 169 71.517 9.316 22.651 1.00 37.79 O HETATM 2223 O HOH 170 76.146 5.335 22.419 1.00 42.17 O HETATM 2224 O HOH 171 65.728 -4.102 41.457 1.00 37.65 O HETATM 2225 O HOH 172 51.584 -9.740 30.479 1.00 41.00 O HETATM 2226 O HOH 173 67.275 6.175 -3.329 1.00 34.86 O HETATM 2227 O HOH 174 42.567 8.362 21.696 1.00 39.42 O HETATM 2228 O HOH 175 42.856 4.771 16.793 1.00 42.15 O HETATM 2229 O HOH 176 66.944 9.614 35.637 1.00 30.21 O HETATM 2230 O HOH 177 66.931 3.609 40.057 1.00 40.06 O HETATM 2231 O HOH 178 74.013 -6.994 37.868 1.00 29.27 O HETATM 2232 O HOH 179 45.811 -5.929 10.213 1.00 32.23 O HETATM 2233 O HOH 180 59.240 -15.897 13.264 1.00 37.66 O HETATM 2234 O HOH 181 47.991 -7.789 10.668 1.00 36.94 O HETATM 2235 O HOH 182 56.219 -7.449 3.962 1.00 31.45 O HETATM 2236 O HOH 183 73.044 10.582 15.882 1.00 34.72 O HETATM 2237 O HOH 184 64.744 -12.839 35.551 1.00 35.27 O HETATM 2238 O HOH 185 75.577 -7.387 35.307 1.00 33.11 O HETATM 2239 O HOH 186 49.724 14.202 9.371 1.00 42.84 O HETATM 2240 O HOH 187 67.292 7.658 37.567 1.00 39.23 O HETATM 2241 O HOH 188 62.866 -11.948 2.609 1.00 28.16 O HETATM 2242 O HOH 189 63.387 -18.970 27.512 1.00 35.54 O HETATM 2243 O HOH 190 71.708 7.476 24.544 1.00 38.85 O HETATM 2244 O HOH 191 54.448 -10.078 4.527 1.00 37.25 O HETATM 2245 O HOH 192 56.468 -15.722 4.725 1.00 38.10 O HETATM 2246 O HOH 193 55.499 -18.000 18.703 1.00 43.67 O HETATM 2247 O HOH 194 54.047 -17.599 21.129 1.00 41.16 O HETATM 2248 O HOH 195 51.163 -16.350 21.973 1.00 43.79 O HETATM 2249 O HOH 196 68.762 4.351 -4.349 1.00 43.97 O HETATM 2250 O HOH 197 69.341 7.719 26.501 1.00 39.53 O HETATM 2251 O HOH 198 41.402 4.806 19.176 1.00 39.36 O HETATM 2252 O HOH 199 60.389 -14.097 30.918 1.00 37.77 O HETATM 2253 O HOH 200 77.177 -2.319 4.820 1.00 36.51 O HETATM 2254 O HOH 201 66.109 -12.914 6.571 1.00 36.11 O HETATM 2255 O HOH 202 64.531 -10.924 4.361 1.00 35.39 O HETATM 2256 O HOH 203 64.897 -19.082 24.549 1.00 39.09 O HETATM 2257 O HOH 204 75.128 -12.966 24.173 1.00 29.05 O HETATM 2258 O HOH 205 77.266 10.906 27.334 1.00 41.13 O HETATM 2259 O HOH 206 55.273 16.488 5.720 1.00 42.45 O HETATM 2260 O HOH 207 72.978 6.027 10.640 1.00 39.31 O HETATM 2261 O HOH 208 71.250 -15.299 31.705 1.00 32.77 O HETATM 2262 O HOH 209 65.813 -4.257 -2.370 1.00 33.02 O HETATM 2263 O HOH 210 55.547 -8.071 34.359 1.00 37.68 O HETATM 2264 O HOH 211 70.112 -3.020 -0.672 1.00 43.62 O HETATM 2265 O HOH 212 63.675 -19.305 22.318 1.00 47.19 O HETATM 2266 O HOH 213 73.488 6.591 15.571 1.00 34.27 O HETATM 2267 O HOH 214 63.455 -4.415 -4.775 1.00 36.82 O HETATM 2268 O HOH 215 74.388 -10.810 12.859 1.00 43.72 O HETATM 2269 O HOH 216 77.724 -5.083 17.171 1.00 46.08 O HETATM 2270 O HOH 217 42.197 8.781 17.841 1.00 38.86 O HETATM 2271 O HOH 218 72.584 -13.336 33.828 1.00 47.93 O HETATM 2272 O HOH 219 51.601 -18.566 20.792 1.00 38.86 O HETATM 2273 O HOH 220 54.067 -11.398 30.423 1.00 48.57 O HETATM 2274 O HOH 221 80.300 -8.327 20.371 1.00 33.82 O HETATM 2275 O HOH 222 67.304 9.811 25.257 1.00 41.35 O HETATM 2276 O HOH 223 57.211 -11.442 30.402 1.00 30.69 O HETATM 2277 O HOH 224 72.822 -14.303 28.531 1.00 37.75 O HETATM 2278 O HOH 225 72.233 10.421 13.144 1.00 46.40 O HETATM 2279 O HOH 226 50.181 -10.689 14.700 1.00 46.90 O HETATM 2280 O HOH 227 68.924 -1.863 -2.337 1.00 52.28 O HETATM 2281 O HOH 228 73.010 8.308 13.446 1.00 40.40 O HETATM 2282 O HOH 229 69.856 0.671 -3.253 1.00 50.77 O HETATM 2283 O HOH 230 43.861 -6.072 21.248 1.00 34.77 O HETATM 2284 O HOH 231 46.846 -9.656 24.470 1.00 32.70 O HETATM 2285 O HOH 232 63.961 7.117 40.246 1.00 42.37 O HETATM 2286 O HOH 233 57.445 -10.677 33.089 1.00 40.11 O HETATM 2287 O HOH 234 63.332 -17.522 20.371 1.00 45.26 O HETATM 2288 O HOH 235 62.444 -16.643 17.192 1.00 41.67 O HETATM 2289 O HOH 236 69.371 -4.110 1.859 1.00 40.90 O HETATM 2290 O HOH 237 66.992 -1.924 -4.748 1.00 44.46 O HETATM 2291 O HOH 238 74.410 0.636 12.944 1.00 34.62 O HETATM 2292 O HOH 239 78.176 -2.686 23.677 1.00 31.27 O HETATM 2293 O HOH 240 69.880 11.270 11.792 1.00 42.66 O HETATM 2294 O HOH 241 69.657 10.603 30.011 1.00 38.40 O HETATM 2295 O HOH 242 57.620 -8.087 38.663 1.00 32.54 O HETATM 2296 O HOH 243 76.611 0.367 14.100 1.00 46.44 O HETATM 2297 O HOH 244 73.028 3.202 13.804 1.00 35.03 O HETATM 2298 O HOH 245 72.965 4.399 15.733 1.00 42.77 O HETATM 2299 O HOH 246 79.486 -4.551 18.666 1.00 48.83 O HETATM 2300 O HOH 247 61.254 13.793 25.507 1.00 45.33 O HETATM 2301 O HOH 248 44.872 -7.825 14.451 1.00 36.82 O HETATM 2302 O HOH 249 53.520 -12.556 9.725 1.00 40.27 O HETATM 2303 O HOH 250 76.404 -5.117 5.578 1.00 47.22 O HETATM 2304 O HOH 251 78.592 -12.254 20.476 1.00 41.19 O HETATM 2305 O HOH 252 77.243 -4.277 15.041 1.00 45.07 O HETATM 2306 O HOH 253 62.156 12.912 27.524 1.00 43.51 O HETATM 2307 O HOH 254 77.426 -1.775 14.567 1.00 48.66 O HETATM 2308 O HOH 255 78.584 0.391 16.937 1.00 41.33 O HETATM 2309 O HOH 256 62.938 -0.486 19.069 1.00 37.38 O HETATM 2310 O HOH 257 67.100 8.428 27.107 1.00 47.41 O HETATM 2311 O HOH 258 73.793 12.084 33.999 1.00 45.91 O HETATM 2312 O HOH 259 55.020 -12.845 4.341 1.00 38.52 O HETATM 2313 O HOH 260 50.541 -13.950 26.250 1.00 34.53 O HETATM 2314 O HOH 261 54.651 3.635 26.851 1.00 13.02 O HETATM 2315 O HOH 262 53.995 4.645 29.050 1.00 31.35 O HETATM 2316 O HOH 263 52.946 5.986 27.514 1.00 31.88 O HETATM 2317 O HOH 264 51.814 6.126 29.497 1.00 40.86 O HETATM 2318 O HOH 265 62.345 -2.945 21.090 1.00 35.67 O HETATM 2319 C10 S A 3 59.792 9.719 27.847 1.00 0.06 C HETATM 2320 C3 S A 3 60.700 9.840 26.806 1.00 -0.01 C HETATM 2321 C2 S A 3 60.350 10.552 25.685 1.00 0.04 C HETATM 2322 C15 S A 3 59.095 11.134 25.583 1.00 -0.05 C HETATM 2323 C14 S A 3 58.180 11.010 26.617 1.00 -0.05 C HETATM 2324 C12 S A 3 58.533 10.298 27.754 1.00 0.05 C HETATM 2325 CL3 S A 3 57.395 10.135 29.066 1.00 -0.07 CL HETATM 2326 H S A 3 57.199 11.465 26.538 1.00 0.06 H HETATM 2327 H S A 3 58.828 11.688 24.691 1.00 0.06 H HETATM 2328 CL1 S A 3 61.499 10.710 24.382 1.00 -0.07 CL HETATM 2329 C4 S A 3 62.080 9.218 26.896 1.00 -0.04 C HETATM 2330 C5 S A 3 62.285 7.999 26.256 1.00 0.05 C HETATM 2331 C6 S A 3 63.624 7.319 26.475 1.00 0.08 C HETATM 2332 O7 S A 3 64.364 7.681 27.431 1.00 -0.56 O HETATM 2333 O8 S A 3 64.004 6.388 25.717 1.00 -0.56 O HETATM 2334 S9 S A 3 61.311 7.495 24.982 1.00 -0.11 S HETATM 2335 H S A 3 61.804 7.623 24.112 1.00 0.13 H HETATM 2336 H S A 3 62.884 9.709 27.443 1.00 0.05 H HETATM 2337 CL2 S A 3 60.209 8.829 29.286 1.00 -0.07 CL CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 60 61 68 69 70 CONECT 68 60 CONECT 69 60 CONECT 70 60 CONECT 253 254 258 259 260 CONECT 258 253 CONECT 259 253 CONECT 260 253 CONECT 724 722 723 2055 CONECT 738 737 740 2055 CONECT 755 754 2054 CONECT 1318 1316 1317 2055 CONECT 1494 1493 2054 CONECT 1899 1897 1898 2054 CONECT 2054 755 1494 1899 CONECT 2055 724 738 1318 CONECT 2319 2320 2324 2337 CONECT 2320 2319 2321 2329 CONECT 2321 2320 2322 2328 CONECT 2322 2321 2323 2327 CONECT 2323 2322 2324 2326 CONECT 2324 2319 2323 2325 CONECT 2325 2324 CONECT 2326 2323 CONECT 2327 2322 CONECT 2328 2321 CONECT 2329 2320 2330 2336 CONECT 2330 2329 2331 2334 CONECT 2331 2330 2332 2333 CONECT 2332 2331 CONECT 2333 2331 CONECT 2334 2330 2335 CONECT 2335 2334 CONECT 2336 2329 CONECT 2337 2319 MASTER 0 0 0 0 0 0 0 0 2334 3 39 18 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4tyt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4c1c
RCSB PDB
PDBbind
227aa, >4C1C_1|Chain... *
4c1h
RCSB PDB
PDBbind
227aa, >4C1H_1|Chain... at 100%
4nq6
RCSB PDB
PDBbind
222aa, >4NQ6_1|Chain... at 100%
5fqb
RCSB PDB
PDBbind
227aa, >5FQB_1|Chain... at 100%
5jmx
RCSB PDB
PDBbind
227aa, >5JMX_1|Chain... at 100%
6eum
RCSB PDB
PDBbind
227aa, >6EUM_1|Chain... at 100%
6ewe
RCSB PDB
PDBbind
227aa, >6EWE_1|Chain... at 100%
6f2n
RCSB PDB
PDBbind
227aa, >6F2N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4pvt
RCSB PDB
PDBbind
S3C
6ew3
RCSB PDB
PDBbind
S3C
Entry Information
PDB ID
4tyt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Beta-lactamase 2 BcII MBL
Ligand Name
S3C
EC.Number
E.C.3.5.2.6
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.02uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Nat.Chem. Vol. 6: pp. 1084-1090
Ligand Properties
Formula
C
9
H
5
Cl
3
O
2
S
Molecular Weight
283.559
Exact Mass
281.908
No. of atoms
20
No. of bonds
20
Polar Surface Area
76.1
LOGP Value
5.00 (
Computed with XLOGP3
)
4.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
S/C(=C/c1c(Cl)ccc(c1Cl)Cl)/C(=O)O
InChI String
InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-
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):
P04190
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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