Browse entries in the PDBbind-CN Database
HEADER 6GE7_COMPLEX COMPND 6GE7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 162 LEU ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN SEQRES 2 A 162 LYS VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SEQRES 3 A 162 SER ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU SEQRES 4 A 162 ARG VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY SEQRES 5 A 162 ASP LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN GLY GLU SEQRES 6 A 162 CYS ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE SEQRES 7 A 162 PRO ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS SEQRES 8 A 162 VAL LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU SEQRES 9 A 162 PHE CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU SEQRES 10 A 162 ALA CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP SEQRES 11 A 162 GLU ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU SEQRES 12 A 162 PRO MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU SEQRES 13 A 162 GLU GLU GLN CYS HIS ILE HET EW A 8 58 SSBOND 1 CYS A 106 CYS A 119 SSBOND 2 CYS A 66 CYS A 160 ATOM 1 N LEU A 1 6.620 37.334 54.873 1.00 69.29 N ATOM 2 CA LEU A 1 5.271 36.710 54.982 1.00 69.06 C ATOM 3 C LEU A 1 5.006 36.204 56.413 1.00 63.91 C ATOM 4 O LEU A 1 3.959 35.620 56.618 1.00 65.78 O ATOM 5 CB LEU A 1 5.123 35.545 53.989 1.00 76.76 C ATOM 6 CG LEU A 1 5.321 35.810 52.487 1.00 84.19 C ATOM 7 CD1 LEU A 1 4.598 37.074 52.018 1.00 86.81 C ATOM 8 CD2 LEU A 1 6.803 35.846 52.102 1.00 85.10 C ATOM 9 HN3 LEU A 1 7.347 36.631 55.117 1.00 0.00 H ATOM 10 HN2 LEU A 1 6.682 38.140 55.528 1.00 0.00 H ATOM 11 HN1 LEU A 1 6.770 37.665 53.899 1.00 0.00 H ATOM 12 N ILE A 2 5.887 36.388 57.404 1.00 58.15 N ATOM 13 CA ILE A 2 5.477 36.180 58.815 1.00 54.41 C ATOM 14 C ILE A 2 4.378 37.180 59.183 1.00 48.86 C ATOM 15 O ILE A 2 3.428 36.830 59.857 1.00 48.95 O ATOM 16 CB ILE A 2 6.657 36.321 59.788 1.00 53.94 C ATOM 17 CG1 ILE A 2 7.654 35.183 59.613 1.00 58.19 C ATOM 18 CG2 ILE A 2 6.190 36.418 61.230 1.00 53.67 C ATOM 19 CD1 ILE A 2 9.050 35.577 59.977 1.00 59.63 C ATOM 20 H ILE A 2 6.861 36.678 57.184 1.00 0.00 H ATOM 21 N VAL A 3 4.516 38.420 58.742 1.00 45.28 N ATOM 22 CA VAL A 3 3.539 39.440 59.073 1.00 43.62 C ATOM 23 C VAL A 3 2.393 39.434 58.052 1.00 44.02 C ATOM 24 O VAL A 3 2.653 39.504 56.879 1.00 44.16 O ATOM 25 CB VAL A 3 4.218 40.810 59.167 1.00 41.90 C ATOM 26 CG1 VAL A 3 3.228 41.873 59.614 1.00 41.47 C ATOM 27 CG2 VAL A 3 5.396 40.742 60.118 1.00 41.56 C ATOM 28 H VAL A 3 5.335 38.666 58.151 1.00 0.00 H ATOM 29 N THR A 4 1.138 39.325 58.500 1.00 45.58 N ATOM 30 CA THR A 4 0.003 39.207 57.576 1.00 47.76 C ATOM 31 C THR A 4 -0.886 40.458 57.598 1.00 45.86 C ATOM 32 O THR A 4 -2.070 40.389 57.242 1.00 46.27 O ATOM 33 CB THR A 4 -0.855 37.974 57.895 1.00 50.69 C ATOM 34 OG1 THR A 4 -1.140 37.966 59.291 1.00 49.49 O ATOM 35 CG2 THR A 4 -0.193 36.675 57.492 1.00 53.28 C ATOM 36 HG1 THR A 4 -0.292 37.927 59.800 1.00 0.00 H ATOM 37 H THR A 4 0.962 39.324 59.525 1.00 0.00 H ATOM 38 N GLN A 5 -0.331 41.584 58.010 1.00 44.41 N ATOM 39 CA GLN A 5 -0.989 42.870 57.823 1.00 46.11 C ATOM 40 C GLN A 5 -0.238 43.629 56.725 1.00 45.01 C ATOM 41 O GLN A 5 0.960 43.799 56.781 1.00 45.33 O ATOM 42 CB GLN A 5 -1.026 43.679 59.115 1.00 46.46 C ATOM 43 CG GLN A 5 -1.399 42.842 60.334 1.00 53.21 C ATOM 44 CD GLN A 5 -0.983 43.524 61.618 1.00 52.80 C ATOM 45 OE1 GLN A 5 -1.283 44.702 61.837 1.00 56.25 O ATOM 46 NE2 GLN A 5 -0.246 42.796 62.446 1.00 49.56 N ATOM 47 HE22 GLN A 5 -0.023 41.808 62.212 1.00 0.00 H ATOM 48 HE21 GLN A 5 0.109 43.214 63.330 1.00 0.00 H ATOM 49 H GLN A 5 0.597 41.551 58.479 1.00 0.00 H ATOM 50 N THR A 6 -0.944 44.022 55.690 1.00 46.35 N ATOM 51 CA THR A 6 -0.323 44.700 54.586 1.00 46.71 C ATOM 52 C THR A 6 -1.255 45.841 54.184 1.00 44.24 C ATOM 53 O THR A 6 -2.492 45.767 54.215 1.00 44.04 O ATOM 54 CB THR A 6 -0.063 43.754 53.410 1.00 51.08 C ATOM 55 OG1 THR A 6 -1.340 43.618 52.790 1.00 56.03 O ATOM 56 CG2 THR A 6 0.438 42.379 53.793 1.00 52.94 C ATOM 57 HG1 THR A 6 -1.657 44.507 52.492 1.00 0.00 H ATOM 58 H THR A 6 -1.968 43.840 55.669 1.00 0.00 H ATOM 59 N MET A 7 -0.610 46.912 53.830 1.00 41.25 N ATOM 60 CA MET A 7 -1.295 48.075 53.376 1.00 42.10 C ATOM 61 C MET A 7 -1.903 47.763 51.998 1.00 41.48 C ATOM 62 O MET A 7 -1.180 47.495 51.045 1.00 40.80 O ATOM 63 CB MET A 7 -0.267 49.207 53.285 1.00 44.27 C ATOM 64 CG MET A 7 -0.774 50.470 52.643 1.00 46.99 C ATOM 65 SD MET A 7 -1.737 51.326 53.852 1.00 49.92 S ATOM 66 CE MET A 7 -2.440 52.639 52.853 1.00 50.71 C ATOM 67 H MET A 7 0.429 46.920 53.879 1.00 0.00 H ATOM 68 N LYS A 8 -3.222 47.756 51.898 1.00 39.90 N ATOM 69 CA LYS A 8 -3.844 47.737 50.582 1.00 41.22 C ATOM 70 C LYS A 8 -3.779 49.149 49.987 1.00 41.47 C ATOM 71 O LYS A 8 -3.907 50.156 50.683 1.00 41.14 O ATOM 72 CB LYS A 8 -5.293 47.250 50.660 1.00 41.98 C ATOM 73 CG LYS A 8 -5.471 45.739 50.659 1.00 42.33 C ATOM 74 CD LYS A 8 -6.891 45.286 50.371 1.00 44.54 C ATOM 75 CE LYS A 8 -7.175 43.875 50.857 1.00 44.94 C ATOM 76 NZ LYS A 8 -8.610 43.521 50.758 1.00 47.07 N ATOM 77 HZ1 LYS A 8 -9.169 44.179 51.338 1.00 0.00 H ATOM 78 HZ2 LYS A 8 -8.914 43.587 49.766 1.00 0.00 H ATOM 79 HZ3 LYS A 8 -8.751 42.549 51.102 1.00 0.00 H ATOM 80 H LYS A 8 -3.811 47.764 52.755 1.00 0.00 H ATOM 81 N GLY A 9 -3.532 49.182 48.690 1.00 44.25 N ATOM 82 CA GLY A 9 -3.615 50.400 47.900 1.00 45.81 C ATOM 83 C GLY A 9 -2.458 51.350 48.160 1.00 44.03 C ATOM 84 O GLY A 9 -2.628 52.548 48.005 1.00 47.09 O ATOM 85 H GLY A 9 -3.266 48.297 48.212 1.00 0.00 H ATOM 86 N LEU A 10 -1.278 50.827 48.501 1.00 41.48 N ATOM 87 CA LEU A 10 -0.134 51.666 48.804 1.00 39.34 C ATOM 88 C LEU A 10 0.319 52.471 47.574 1.00 40.88 C ATOM 89 O LEU A 10 0.569 51.923 46.509 1.00 43.23 O ATOM 90 CB LEU A 10 1.037 50.814 49.301 1.00 37.40 C ATOM 91 CG LEU A 10 2.313 51.632 49.530 1.00 36.33 C ATOM 92 CD1 LEU A 10 2.058 52.706 50.575 1.00 35.50 C ATOM 93 CD2 LEU A 10 3.478 50.759 49.940 1.00 34.92 C ATOM 94 H LEU A 10 -1.176 49.793 48.551 1.00 0.00 H ATOM 95 N ASP A 11 0.502 53.765 47.766 1.00 39.90 N ATOM 96 CA ASP A 11 1.006 54.652 46.715 1.00 41.84 C ATOM 97 C ASP A 11 2.376 55.086 47.216 1.00 39.10 C ATOM 98 O ASP A 11 2.499 55.974 48.077 1.00 38.22 O ATOM 99 CB ASP A 11 0.052 55.865 46.485 1.00 43.93 C ATOM 100 CG ASP A 11 0.532 56.850 45.271 1.00 48.74 C ATOM 101 OD1 ASP A 11 1.757 56.814 44.880 1.00 48.79 O ATOM 102 OD2 ASP A 11 -0.343 57.616 44.825 1.00 52.06 O ATOM 103 H ASP A 11 0.280 54.169 48.698 1.00 0.00 H ATOM 104 N ILE A 12 3.396 54.401 46.704 1.00 38.50 N ATOM 105 CA ILE A 12 4.715 54.502 47.259 1.00 38.66 C ATOM 106 C ILE A 12 5.238 55.931 47.057 1.00 41.11 C ATOM 107 O ILE A 12 6.109 56.340 47.782 1.00 39.21 O ATOM 108 CB ILE A 12 5.674 53.457 46.654 1.00 39.10 C ATOM 109 CG1 ILE A 12 6.947 53.291 47.493 1.00 39.03 C ATOM 110 CG2 ILE A 12 6.029 53.810 45.216 1.00 41.69 C ATOM 111 CD1 ILE A 12 6.718 52.867 48.945 1.00 36.92 C ATOM 112 H ILE A 12 3.234 53.780 45.885 1.00 0.00 H ATOM 113 N GLN A 13 4.740 56.673 46.064 1.00 45.03 N ATOM 114 CA GLN A 13 5.251 58.039 45.862 1.00 47.89 C ATOM 115 C GLN A 13 4.989 58.864 47.128 1.00 45.26 C ATOM 116 O GLN A 13 5.768 59.742 47.448 1.00 44.16 O ATOM 117 CB GLN A 13 4.644 58.692 44.612 1.00 51.00 C ATOM 118 CG GLN A 13 5.098 58.041 43.306 1.00 53.24 C ATOM 119 CD GLN A 13 6.648 58.031 43.154 1.00 55.25 C ATOM 120 OE1 GLN A 13 7.299 59.051 43.428 1.00 56.40 O ATOM 121 NE2 GLN A 13 7.208 56.896 42.879 1.00 54.68 N ATOM 122 HE22 GLN A 13 6.621 56.067 42.655 1.00 0.00 H ATOM 123 HE21 GLN A 13 8.245 56.813 42.882 1.00 0.00 H ATOM 124 H GLN A 13 4.000 56.290 45.441 1.00 0.00 H ATOM 125 N LYS A 14 3.930 58.532 47.869 1.00 44.51 N ATOM 126 CA LYS A 14 3.429 59.441 48.893 1.00 42.52 C ATOM 127 C LYS A 14 4.134 59.184 50.218 1.00 38.04 C ATOM 128 O LYS A 14 3.875 59.906 51.159 1.00 34.96 O ATOM 129 CB LYS A 14 1.912 59.338 49.032 1.00 44.76 C ATOM 130 CG LYS A 14 1.169 59.937 47.842 1.00 50.60 C ATOM 131 CD LYS A 14 -0.283 59.540 47.735 1.00 54.21 C ATOM 132 CE LYS A 14 -1.137 60.167 48.820 1.00 57.15 C ATOM 133 NZ LYS A 14 -2.542 59.698 48.754 1.00 61.40 N ATOM 134 HZ1 LYS A 14 -2.948 59.952 47.831 1.00 0.00 H ATOM 135 HZ2 LYS A 14 -2.567 58.665 48.873 1.00 0.00 H ATOM 136 HZ3 LYS A 14 -3.093 60.149 49.512 1.00 0.00 H ATOM 137 H LYS A 14 3.458 57.618 47.715 1.00 0.00 H ATOM 138 N VAL A 15 5.055 58.223 50.275 1.00 36.63 N ATOM 139 CA VAL A 15 5.841 58.043 51.530 1.00 36.18 C ATOM 140 C VAL A 15 7.150 58.839 51.439 1.00 35.51 C ATOM 141 O VAL A 15 7.950 58.757 52.342 1.00 35.79 O ATOM 142 CB VAL A 15 6.133 56.565 51.888 1.00 33.56 C ATOM 143 CG1 VAL A 15 4.881 55.718 51.876 1.00 34.87 C ATOM 144 CG2 VAL A 15 7.212 55.930 51.032 1.00 34.46 C ATOM 145 H VAL A 15 5.224 57.606 49.455 1.00 0.00 H ATOM 146 N ALA A 16 7.383 59.557 50.349 1.00 37.06 N ATOM 147 CA ALA A 16 8.615 60.362 50.200 1.00 36.84 C ATOM 148 C ALA A 16 8.774 61.327 51.385 1.00 35.78 C ATOM 149 O ALA A 16 7.785 61.778 51.979 1.00 34.23 O ATOM 150 CB ALA A 16 8.590 61.127 48.894 1.00 38.00 C ATOM 151 H ALA A 16 6.683 59.554 49.580 1.00 0.00 H ATOM 152 N GLY A 17 10.043 61.668 51.644 1.00 36.21 N ATOM 153 CA GLY A 17 10.421 62.750 52.528 1.00 35.85 C ATOM 154 C GLY A 17 10.995 62.233 53.829 1.00 35.23 C ATOM 155 O GLY A 17 11.426 61.061 53.941 1.00 34.52 O ATOM 156 H GLY A 17 10.800 61.124 51.183 1.00 0.00 H ATOM 157 N THR A 18 10.898 63.102 54.835 1.00 35.08 N ATOM 158 CA THR A 18 11.524 62.846 56.112 1.00 34.89 C ATOM 159 C THR A 18 10.563 62.063 57.024 1.00 32.21 C ATOM 160 O THR A 18 9.355 62.290 57.051 1.00 32.04 O ATOM 161 CB THR A 18 11.984 64.161 56.752 1.00 37.54 C ATOM 162 OG1 THR A 18 10.785 64.899 57.004 1.00 39.96 O ATOM 163 CG2 THR A 18 12.951 64.930 55.875 1.00 39.63 C ATOM 164 HG1 THR A 18 10.203 64.382 57.615 1.00 0.00 H ATOM 165 H THR A 18 10.361 63.982 54.698 1.00 0.00 H ATOM 166 N TRP A 19 11.151 61.145 57.776 1.00 30.91 N ATOM 167 CA TRP A 19 10.486 60.328 58.789 1.00 30.19 C ATOM 168 C TRP A 19 11.392 60.251 60.012 1.00 28.76 C ATOM 169 O TRP A 19 12.563 60.431 59.879 1.00 27.50 O ATOM 170 CB TRP A 19 10.241 58.904 58.277 1.00 29.88 C ATOM 171 CG TRP A 19 9.227 58.805 57.191 1.00 30.43 C ATOM 172 CD1 TRP A 19 9.461 58.798 55.855 1.00 32.43 C ATOM 173 CD2 TRP A 19 7.802 58.722 57.353 1.00 30.83 C ATOM 174 NE1 TRP A 19 8.277 58.720 55.171 1.00 32.80 N ATOM 175 CE2 TRP A 19 7.241 58.675 56.060 1.00 31.77 C ATOM 176 CE3 TRP A 19 6.951 58.703 58.458 1.00 30.35 C ATOM 177 CZ2 TRP A 19 5.871 58.545 55.836 1.00 32.57 C ATOM 178 CZ3 TRP A 19 5.593 58.590 58.241 1.00 30.96 C ATOM 179 CH2 TRP A 19 5.061 58.521 56.947 1.00 32.93 C ATOM 180 HE1 TRP A 19 8.182 58.698 54.136 1.00 0.00 H ATOM 181 H TRP A 19 12.170 60.993 57.634 1.00 0.00 H ATOM 182 N TYR A 20 10.806 59.872 61.142 1.00 28.90 N ATOM 183 CA TYR A 20 11.488 59.666 62.393 1.00 28.15 C ATOM 184 C TYR A 20 11.191 58.246 62.875 1.00 27.99 C ATOM 185 O TYR A 20 10.040 57.847 62.869 1.00 26.53 O ATOM 186 CB TYR A 20 10.954 60.645 63.434 1.00 29.68 C ATOM 187 CG TYR A 20 11.332 62.081 63.175 1.00 32.41 C ATOM 188 CD1 TYR A 20 10.703 62.843 62.200 1.00 33.63 C ATOM 189 CD2 TYR A 20 12.388 62.649 63.866 1.00 34.41 C ATOM 190 CE1 TYR A 20 11.088 64.152 61.952 1.00 36.95 C ATOM 191 CE2 TYR A 20 12.770 63.963 63.643 1.00 37.88 C ATOM 192 CZ TYR A 20 12.125 64.709 62.678 1.00 37.37 C ATOM 193 OH TYR A 20 12.559 65.979 62.485 1.00 43.52 O ATOM 194 HH TYR A 20 12.461 66.492 63.326 1.00 0.00 H ATOM 195 H TYR A 20 9.779 59.712 61.122 1.00 0.00 H ATOM 196 N SER A 21 12.212 57.514 63.314 1.00 27.21 N ATOM 197 CA SER A 21 12.011 56.193 63.864 1.00 26.35 C ATOM 198 C SER A 21 11.634 56.301 65.347 1.00 26.84 C ATOM 199 O SER A 21 12.496 56.214 66.218 1.00 27.53 O ATOM 200 CB SER A 21 13.247 55.350 63.689 1.00 27.31 C ATOM 201 OG SER A 21 13.544 55.105 62.323 1.00 26.50 O ATOM 202 HG SER A 21 12.785 54.628 61.902 1.00 0.00 H ATOM 203 H SER A 21 13.176 57.901 63.260 1.00 0.00 H ATOM 204 N LEU A 22 10.340 56.436 65.622 1.00 26.56 N ATOM 205 CA LEU A 22 9.848 56.686 66.986 1.00 26.30 C ATOM 206 C LEU A 22 9.987 55.451 67.897 1.00 25.48 C ATOM 207 O LEU A 22 10.292 55.585 69.090 1.00 26.52 O ATOM 208 CB LEU A 22 8.377 57.084 66.860 1.00 26.67 C ATOM 209 CG LEU A 22 7.638 57.294 68.174 1.00 27.99 C ATOM 210 CD1 LEU A 22 8.296 58.393 69.011 1.00 28.93 C ATOM 211 CD2 LEU A 22 6.187 57.606 67.905 1.00 28.90 C ATOM 212 H LEU A 22 9.652 56.362 64.846 1.00 0.00 H ATOM 213 N ALA A 23 9.666 54.260 67.368 1.00 25.45 N ATOM 214 CA ALA A 23 9.802 53.009 68.093 1.00 24.91 C ATOM 215 C ALA A 23 10.262 51.899 67.147 1.00 26.40 C ATOM 216 O ALA A 23 9.982 51.911 65.929 1.00 27.57 O ATOM 217 CB ALA A 23 8.509 52.643 68.780 1.00 24.01 C ATOM 218 H ALA A 23 9.303 54.232 66.394 1.00 0.00 H ATOM 219 N MET A 24 10.972 50.959 67.758 1.00 26.94 N ATOM 220 CA MET A 24 11.491 49.769 67.125 1.00 27.32 C ATOM 221 C MET A 24 11.154 48.538 67.975 1.00 27.71 C ATOM 222 O MET A 24 11.182 48.589 69.201 1.00 27.45 O ATOM 223 CB MET A 24 13.009 49.837 67.008 1.00 29.21 C ATOM 224 CG MET A 24 13.516 51.211 66.586 1.00 30.53 C ATOM 225 SD MET A 24 15.313 51.248 66.529 1.00 31.55 S ATOM 226 CE MET A 24 15.528 52.891 65.842 1.00 33.16 C ATOM 227 H MET A 24 11.170 51.089 68.771 1.00 0.00 H ATOM 228 N ALA A 25 10.926 47.415 67.307 1.00 26.79 N ATOM 229 CA ALA A 25 10.792 46.136 67.993 1.00 27.48 C ATOM 230 C ALA A 25 11.438 45.028 67.152 1.00 27.28 C ATOM 231 O ALA A 25 11.442 45.114 65.918 1.00 25.39 O ATOM 232 CB ALA A 25 9.330 45.869 68.231 1.00 27.49 C ATOM 233 H ALA A 25 10.841 47.448 66.271 1.00 0.00 H ATOM 234 N ALA A 26 11.958 43.990 67.821 1.00 27.65 N ATOM 235 CA ALA A 26 12.529 42.858 67.140 1.00 28.80 C ATOM 236 C ALA A 26 12.257 41.575 67.935 1.00 30.77 C ATOM 237 O ALA A 26 12.052 41.639 69.163 1.00 31.96 O ATOM 238 CB ALA A 26 14.000 43.104 66.955 1.00 30.26 C ATOM 239 H ALA A 26 11.949 44.003 68.861 1.00 0.00 H ATOM 240 N SER A 27 12.252 40.435 67.235 1.00 31.74 N ATOM 241 CA SER A 27 12.064 39.075 67.806 1.00 34.88 C ATOM 242 C SER A 27 13.277 38.636 68.628 1.00 36.22 C ATOM 243 O SER A 27 13.151 37.745 69.416 1.00 37.99 O ATOM 244 CB SER A 27 11.802 38.049 66.727 1.00 35.98 C ATOM 245 OG SER A 27 12.762 38.179 65.689 1.00 36.64 O ATOM 246 HG SER A 27 12.702 39.086 65.298 1.00 0.00 H ATOM 247 H SER A 27 12.391 40.506 66.207 1.00 0.00 H ATOM 248 N ASP A 28 14.442 39.228 68.391 1.00 37.50 N ATOM 249 CA ASP A 28 15.688 38.881 69.081 1.00 39.92 C ATOM 250 C ASP A 28 16.296 40.139 69.680 1.00 38.22 C ATOM 251 O ASP A 28 16.441 41.166 69.027 1.00 37.76 O ATOM 252 CB ASP A 28 16.669 38.236 68.130 1.00 43.97 C ATOM 253 CG ASP A 28 17.847 37.615 68.844 1.00 49.19 C ATOM 254 OD1 ASP A 28 18.556 38.294 69.602 1.00 51.36 O ATOM 255 OD2 ASP A 28 18.077 36.413 68.660 1.00 56.36 O ATOM 256 H ASP A 28 14.472 39.981 67.675 1.00 0.00 H ATOM 257 N ILE A 29 16.584 40.059 70.962 1.00 39.04 N ATOM 258 CA ILE A 29 17.116 41.167 71.763 1.00 38.68 C ATOM 259 C ILE A 29 18.386 41.717 71.094 1.00 38.77 C ATOM 260 O ILE A 29 18.601 42.935 71.069 1.00 35.64 O ATOM 261 CB ILE A 29 17.391 40.676 73.205 1.00 40.12 C ATOM 262 CG1 ILE A 29 16.075 40.489 73.979 1.00 40.00 C ATOM 263 CG2 ILE A 29 18.355 41.600 73.936 1.00 40.12 C ATOM 264 CD1 ILE A 29 16.198 39.685 75.271 1.00 42.66 C ATOM 265 H ILE A 29 16.424 39.149 71.439 1.00 0.00 H ATOM 266 N SER A 30 19.229 40.811 70.595 1.00 40.48 N ATOM 267 CA SER A 30 20.536 41.176 70.057 1.00 42.46 C ATOM 268 C SER A 30 20.383 41.970 68.753 1.00 40.48 C ATOM 269 O SER A 30 21.317 42.611 68.298 1.00 40.64 O ATOM 270 CB SER A 30 21.395 39.948 69.855 1.00 45.94 C ATOM 271 OG SER A 30 20.871 39.139 68.808 1.00 46.70 O ATOM 272 HG SER A 30 19.952 38.854 69.041 1.00 0.00 H ATOM 273 H SER A 30 18.945 39.811 70.589 1.00 0.00 H ATOM 274 N LEU A 31 19.202 41.960 68.153 1.00 39.51 N ATOM 275 CA LEU A 31 19.034 42.761 66.952 1.00 39.43 C ATOM 276 C LEU A 31 18.928 44.260 67.294 1.00 38.70 C ATOM 277 O LEU A 31 19.059 45.150 66.378 1.00 34.76 O ATOM 278 CB LEU A 31 17.787 42.282 66.208 1.00 39.83 C ATOM 279 CG LEU A 31 17.840 40.853 65.673 1.00 42.61 C ATOM 280 CD1 LEU A 31 16.500 40.474 65.073 1.00 42.32 C ATOM 281 CD2 LEU A 31 18.939 40.689 64.637 1.00 45.50 C ATOM 282 H LEU A 31 18.416 41.394 68.531 1.00 0.00 H ATOM 283 N LEU A 32 18.644 44.590 68.565 1.00 37.88 N ATOM 284 CA LEU A 32 18.347 46.001 68.870 1.00 37.39 C ATOM 285 C LEU A 32 18.992 46.457 70.191 1.00 39.36 C ATOM 286 O LEU A 32 18.806 47.608 70.549 1.00 36.26 O ATOM 287 CB LEU A 32 16.829 46.197 68.949 1.00 34.49 C ATOM 288 CG LEU A 32 16.024 46.221 67.652 1.00 33.25 C ATOM 289 CD1 LEU A 32 14.545 46.368 67.981 1.00 31.50 C ATOM 290 CD2 LEU A 32 16.454 47.352 66.713 1.00 34.06 C ATOM 291 H LEU A 32 18.634 43.869 69.314 1.00 0.00 H ATOM 292 N ASP A 33 19.722 45.613 70.922 1.00 42.92 N ATOM 293 CA ASP A 33 20.079 45.990 72.307 1.00 45.86 C ATOM 294 C ASP A 33 21.187 47.044 72.412 1.00 49.00 C ATOM 295 O ASP A 33 21.080 47.951 73.198 1.00 54.30 O ATOM 296 CB ASP A 33 20.363 44.771 73.182 1.00 46.97 C ATOM 297 CG ASP A 33 21.470 43.922 72.648 1.00 50.32 C ATOM 298 OD1 ASP A 33 21.789 42.901 73.306 1.00 54.49 O ATOM 299 OD2 ASP A 33 22.044 44.282 71.598 1.00 47.98 O ATOM 300 H ASP A 33 20.035 44.704 70.524 1.00 0.00 H ATOM 301 N ALA A 34 22.209 46.996 71.580 1.00 52.79 N ATOM 302 CA ALA A 34 23.259 48.019 71.641 1.00 53.93 C ATOM 303 C ALA A 34 23.101 49.050 70.512 1.00 53.45 C ATOM 304 O ALA A 34 22.340 48.866 69.569 1.00 49.92 O ATOM 305 CB ALA A 34 24.605 47.359 71.587 1.00 55.86 C ATOM 306 H ALA A 34 22.271 46.231 70.879 1.00 0.00 H ATOM 307 N GLN A 35 23.870 50.133 70.624 1.00 56.53 N ATOM 308 CA GLN A 35 23.852 51.226 69.657 1.00 56.85 C ATOM 309 C GLN A 35 24.287 50.677 68.300 1.00 53.28 C ATOM 310 O GLN A 35 23.788 51.102 67.285 1.00 53.77 O ATOM 311 CB GLN A 35 24.766 52.371 70.105 1.00 63.35 C ATOM 312 CG GLN A 35 24.290 53.109 71.353 1.00 68.36 C ATOM 313 CD GLN A 35 25.383 53.901 72.046 1.00 76.05 C ATOM 314 OE1 GLN A 35 26.292 53.346 72.681 1.00 77.45 O ATOM 315 NE2 GLN A 35 25.300 55.226 71.944 1.00 76.90 N ATOM 316 HE22 GLN A 35 24.524 55.658 71.403 1.00 0.00 H ATOM 317 HE21 GLN A 35 26.011 55.829 72.405 1.00 0.00 H ATOM 318 H GLN A 35 24.513 50.202 71.439 1.00 0.00 H ATOM 319 N SER A 36 25.164 49.688 68.322 1.00 53.25 N ATOM 320 CA SER A 36 25.751 49.116 67.115 1.00 55.79 C ATOM 321 C SER A 36 25.086 47.785 66.738 1.00 54.95 C ATOM 322 O SER A 36 25.581 47.101 65.854 1.00 60.14 O ATOM 323 CB SER A 36 27.220 48.902 67.303 1.00 58.29 C ATOM 324 OG SER A 36 27.430 47.992 68.366 1.00 60.39 O ATOM 325 HG SER A 36 28.402 47.850 68.490 1.00 0.00 H ATOM 326 H SER A 36 25.449 49.299 69.244 1.00 0.00 H ATOM 327 N ALA A 37 24.004 47.401 67.401 1.00 50.51 N ATOM 328 CA ALA A 37 23.271 46.191 67.024 1.00 49.02 C ATOM 329 C ALA A 37 22.795 46.318 65.575 1.00 46.54 C ATOM 330 O ALA A 37 22.458 47.412 65.119 1.00 45.40 O ATOM 331 CB ALA A 37 22.087 45.981 67.948 1.00 46.92 C ATOM 332 H ALA A 37 23.669 47.970 68.204 1.00 0.00 H ATOM 333 N PRO A 38 22.647 45.191 64.898 1.00 45.81 N ATOM 334 CA PRO A 38 22.507 45.215 63.458 1.00 46.76 C ATOM 335 C PRO A 38 21.219 45.849 62.904 1.00 44.02 C ATOM 336 O PRO A 38 21.257 46.336 61.770 1.00 45.69 O ATOM 337 CB PRO A 38 22.637 43.747 63.015 1.00 48.89 C ATOM 338 CG PRO A 38 22.367 42.950 64.262 1.00 48.41 C ATOM 339 CD PRO A 38 22.833 43.834 65.398 1.00 48.10 C ATOM 340 N LEU A 39 20.108 45.897 63.634 1.00 41.01 N ATOM 341 CA LEU A 39 18.901 46.500 63.038 1.00 38.25 C ATOM 342 C LEU A 39 18.513 47.793 63.754 1.00 35.83 C ATOM 343 O LEU A 39 17.431 48.342 63.536 1.00 33.98 O ATOM 344 CB LEU A 39 17.763 45.479 63.058 1.00 37.83 C ATOM 345 CG LEU A 39 17.950 44.301 62.107 1.00 40.56 C ATOM 346 CD1 LEU A 39 16.675 43.471 62.029 1.00 40.31 C ATOM 347 CD2 LEU A 39 18.370 44.782 60.721 1.00 41.82 C ATOM 348 H LEU A 39 20.091 45.518 64.602 1.00 0.00 H ATOM 349 N ARG A 40 19.433 48.283 64.565 1.00 37.88 N ATOM 350 CA ARG A 40 19.328 49.605 65.135 1.00 37.82 C ATOM 351 C ARG A 40 19.686 50.666 64.075 1.00 36.40 C ATOM 352 O ARG A 40 20.800 51.177 64.001 1.00 36.77 O ATOM 353 CB ARG A 40 20.239 49.710 66.352 1.00 40.38 C ATOM 354 CG ARG A 40 19.861 50.869 67.262 1.00 43.24 C ATOM 355 CD ARG A 40 18.965 50.466 68.421 1.00 42.35 C ATOM 356 NE ARG A 40 19.116 51.431 69.498 1.00 44.46 N ATOM 357 CZ ARG A 40 19.761 51.237 70.634 1.00 44.61 C ATOM 358 NH1 ARG A 40 19.795 50.055 71.221 1.00 45.97 N ATOM 359 NH2 ARG A 40 20.379 52.257 71.189 1.00 49.88 N ATOM 360 HE ARG A 40 18.674 52.362 69.361 1.00 0.00 H ATOM 361 HH12 ARG A 40 20.311 49.933 72.115 1.00 0.00 H ATOM 362 HH11 ARG A 40 19.305 49.246 70.789 1.00 0.00 H ATOM 363 HH22 ARG A 40 20.894 52.129 72.084 1.00 0.00 H ATOM 364 HH21 ARG A 40 20.353 53.191 70.733 1.00 0.00 H ATOM 365 H ARG A 40 20.260 47.698 64.801 1.00 0.00 H ATOM 366 N VAL A 41 18.679 50.997 63.283 1.00 34.37 N ATOM 367 CA VAL A 41 18.796 51.921 62.166 1.00 35.00 C ATOM 368 C VAL A 41 17.737 53.018 62.326 1.00 32.87 C ATOM 369 O VAL A 41 16.567 52.753 62.647 1.00 29.89 O ATOM 370 CB VAL A 41 18.642 51.210 60.802 1.00 36.24 C ATOM 371 CG1 VAL A 41 19.836 50.330 60.498 1.00 38.79 C ATOM 372 CG2 VAL A 41 17.341 50.414 60.710 1.00 35.19 C ATOM 373 H VAL A 41 17.749 50.571 63.470 1.00 0.00 H ATOM 374 N TYR A 42 18.173 54.252 62.084 1.00 34.63 N ATOM 375 CA TYR A 42 17.362 55.428 62.327 1.00 33.28 C ATOM 376 C TYR A 42 17.030 56.060 60.972 1.00 34.02 C ATOM 377 O TYR A 42 17.896 56.576 60.272 1.00 33.68 O ATOM 378 CB TYR A 42 18.107 56.391 63.250 1.00 34.46 C ATOM 379 CG TYR A 42 18.644 55.772 64.514 1.00 35.39 C ATOM 380 CD1 TYR A 42 17.862 55.631 65.653 1.00 34.19 C ATOM 381 CD2 TYR A 42 19.954 55.344 64.566 1.00 36.77 C ATOM 382 CE1 TYR A 42 18.387 55.102 66.821 1.00 35.03 C ATOM 383 CE2 TYR A 42 20.488 54.802 65.717 1.00 37.87 C ATOM 384 CZ TYR A 42 19.705 54.682 66.848 1.00 36.99 C ATOM 385 OH TYR A 42 20.268 54.112 67.950 1.00 39.26 O ATOM 386 HH TYR A 42 21.053 54.646 68.232 1.00 0.00 H ATOM 387 H TYR A 42 19.134 54.377 61.706 1.00 0.00 H ATOM 388 N VAL A 43 15.764 55.966 60.605 1.00 34.02 N ATOM 389 CA VAL A 43 15.340 56.386 59.302 1.00 34.73 C ATOM 390 C VAL A 43 15.395 57.916 59.239 1.00 35.46 C ATOM 391 O VAL A 43 15.046 58.596 60.209 1.00 33.00 O ATOM 392 CB VAL A 43 13.943 55.852 58.986 1.00 34.13 C ATOM 393 CG1 VAL A 43 13.435 56.413 57.669 1.00 35.84 C ATOM 394 CG2 VAL A 43 13.939 54.332 58.988 1.00 35.13 C ATOM 395 H VAL A 43 15.065 55.581 61.272 1.00 0.00 H ATOM 396 N GLU A 44 15.941 58.406 58.131 1.00 35.85 N ATOM 397 CA GLU A 44 16.058 59.844 57.873 1.00 39.29 C ATOM 398 C GLU A 44 15.044 60.248 56.790 1.00 38.59 C ATOM 399 O GLU A 44 14.278 61.199 56.951 1.00 37.45 O ATOM 400 CB GLU A 44 17.510 60.139 57.485 1.00 43.87 C ATOM 401 CG GLU A 44 17.848 61.604 57.326 1.00 48.45 C ATOM 402 CD GLU A 44 19.320 61.849 57.021 1.00 54.92 C ATOM 403 OE1 GLU A 44 20.173 61.498 57.910 1.00 57.09 O ATOM 404 OE2 GLU A 44 19.618 62.420 55.916 1.00 55.55 O ATOM 405 H GLU A 44 16.300 57.741 57.417 1.00 0.00 H ATOM 406 N GLU A 45 14.989 59.474 55.710 1.00 39.63 N ATOM 407 CA GLU A 45 14.346 59.944 54.503 1.00 40.87 C ATOM 408 C GLU A 45 14.049 58.762 53.566 1.00 39.70 C ATOM 409 O GLU A 45 14.903 57.923 53.342 1.00 38.11 O ATOM 410 CB GLU A 45 15.296 60.969 53.875 1.00 44.41 C ATOM 411 CG GLU A 45 14.614 62.086 53.118 1.00 48.03 C ATOM 412 CD GLU A 45 15.592 63.090 52.512 1.00 52.93 C ATOM 413 OE1 GLU A 45 16.561 63.498 53.212 1.00 55.60 O ATOM 414 OE2 GLU A 45 15.391 63.451 51.345 1.00 52.94 O ATOM 415 H GLU A 45 15.411 58.524 55.734 1.00 0.00 H ATOM 416 N LEU A 46 12.855 58.753 52.974 1.00 40.59 N ATOM 417 CA LEU A 46 12.480 57.829 51.880 1.00 41.35 C ATOM 418 C LEU A 46 12.400 58.583 50.543 1.00 45.13 C ATOM 419 O LEU A 46 11.792 59.645 50.460 1.00 43.68 O ATOM 420 CB LEU A 46 11.124 57.195 52.207 1.00 39.96 C ATOM 421 CG LEU A 46 11.071 56.409 53.517 1.00 38.44 C ATOM 422 CD1 LEU A 46 9.808 55.561 53.600 1.00 38.78 C ATOM 423 CD2 LEU A 46 12.297 55.523 53.668 1.00 38.92 C ATOM 424 H LEU A 46 12.143 59.437 53.301 1.00 0.00 H ATOM 425 N LYS A 47 12.972 57.986 49.491 1.00 47.14 N ATOM 426 CA LYS A 47 13.096 58.668 48.196 1.00 52.58 C ATOM 427 C LYS A 47 12.698 57.690 47.052 1.00 51.90 C ATOM 428 O LYS A 47 13.566 56.992 46.429 1.00 51.33 O ATOM 429 CB LYS A 47 14.531 59.169 47.967 1.00 56.23 C ATOM 430 CG LYS A 47 15.002 60.288 48.888 1.00 58.65 C ATOM 431 CD LYS A 47 16.383 60.799 48.515 1.00 62.86 C ATOM 432 CE LYS A 47 16.792 62.024 49.298 1.00 66.06 C ATOM 433 NZ LYS A 47 18.174 62.459 48.976 1.00 70.98 N ATOM 434 HZ1 LYS A 47 18.839 61.692 49.203 1.00 0.00 H ATOM 435 HZ2 LYS A 47 18.238 62.686 47.963 1.00 0.00 H ATOM 436 HZ3 LYS A 47 18.410 63.302 49.537 1.00 0.00 H ATOM 437 H LYS A 47 13.337 57.017 49.592 1.00 0.00 H ATOM 438 N PRO A 48 11.375 57.658 46.770 1.00 53.14 N ATOM 439 CA PRO A 48 10.825 56.724 45.789 1.00 53.33 C ATOM 440 C PRO A 48 11.274 57.137 44.381 1.00 55.64 C ATOM 441 O PRO A 48 11.240 58.315 44.053 1.00 59.51 O ATOM 442 CB PRO A 48 9.294 56.769 45.936 1.00 52.52 C ATOM 443 CG PRO A 48 9.030 58.041 46.698 1.00 53.39 C ATOM 444 CD PRO A 48 10.265 58.240 47.555 1.00 52.35 C ATOM 445 N THR A 49 11.739 56.181 43.589 1.00 56.27 N ATOM 446 CA THR A 49 12.116 56.493 42.206 1.00 59.14 C ATOM 447 C THR A 49 10.855 56.495 41.319 1.00 58.56 C ATOM 448 O THR A 49 9.795 55.988 41.718 1.00 57.12 O ATOM 449 CB THR A 49 13.192 55.542 41.645 1.00 60.45 C ATOM 450 OG1 THR A 49 12.629 54.250 41.358 1.00 60.67 O ATOM 451 CG2 THR A 49 14.379 55.390 42.581 1.00 59.81 C ATOM 452 HG1 THR A 49 13.335 53.656 41.000 1.00 0.00 H ATOM 453 H THR A 49 11.837 55.210 43.948 1.00 0.00 H ATOM 454 N PRO A 50 10.977 57.094 40.128 1.00 61.53 N ATOM 455 CA PRO A 50 9.934 57.078 39.087 1.00 64.64 C ATOM 456 C PRO A 50 9.434 55.645 38.593 1.00 63.97 C ATOM 457 O PRO A 50 8.224 55.424 38.454 1.00 62.15 O ATOM 458 CB PRO A 50 10.589 57.792 37.879 1.00 67.25 C ATOM 459 CG PRO A 50 11.503 58.798 38.548 1.00 67.21 C ATOM 460 CD PRO A 50 12.049 58.045 39.747 1.00 64.12 C ATOM 461 N GLU A 51 10.440 54.684 38.627 1.00 64.04 N ATOM 462 CA GLU A 51 10.170 53.267 38.313 1.00 63.93 C ATOM 463 C GLU A 51 9.522 52.572 39.520 1.00 60.56 C ATOM 464 O GLU A 51 9.029 51.454 39.397 1.00 60.99 O ATOM 465 CB GLU A 51 11.458 52.554 37.895 1.00 65.82 C ATOM 466 CG GLU A 51 12.078 53.138 36.630 1.00 69.19 C ATOM 467 CD GLU A 51 13.237 54.103 36.852 1.00 69.72 C ATOM 468 OE1 GLU A 51 13.287 54.772 37.916 1.00 65.62 O ATOM 469 OE2 GLU A 51 14.087 54.193 35.947 1.00 73.68 O ATOM 470 H GLU A 51 11.407 54.971 38.880 1.00 0.00 H ATOM 471 N GLY A 52 9.536 53.223 40.682 1.00 56.86 N ATOM 472 CA GLY A 52 8.794 52.728 41.840 1.00 54.02 C ATOM 473 C GLY A 52 9.653 51.916 42.801 1.00 51.59 C ATOM 474 O GLY A 52 9.105 51.228 43.632 1.00 48.97 O ATOM 475 H GLY A 52 10.086 54.101 40.767 1.00 0.00 H ATOM 476 N ASP A 53 10.982 51.978 42.685 1.00 52.49 N ATOM 477 CA ASP A 53 11.860 51.436 43.714 1.00 51.22 C ATOM 478 C ASP A 53 11.957 52.469 44.846 1.00 50.81 C ATOM 479 O ASP A 53 11.403 53.557 44.738 1.00 52.16 O ATOM 480 CB ASP A 53 13.237 51.106 43.153 1.00 52.81 C ATOM 481 CG ASP A 53 13.195 49.996 42.094 1.00 54.87 C ATOM 482 OD1 ASP A 53 12.602 48.921 42.313 1.00 54.48 O ATOM 483 OD2 ASP A 53 13.777 50.193 41.023 1.00 58.04 O ATOM 484 H ASP A 53 11.399 52.423 41.842 1.00 0.00 H ATOM 485 N LEU A 54 12.618 52.145 45.947 1.00 49.51 N ATOM 486 CA LEU A 54 12.630 53.082 47.052 1.00 49.87 C ATOM 487 C LEU A 54 14.046 53.273 47.595 1.00 50.85 C ATOM 488 O LEU A 54 14.555 52.382 48.271 1.00 55.37 O ATOM 489 CB LEU A 54 11.723 52.553 48.163 1.00 46.46 C ATOM 490 CG LEU A 54 11.554 53.544 49.303 1.00 45.78 C ATOM 491 CD1 LEU A 54 10.745 54.736 48.814 1.00 47.36 C ATOM 492 CD2 LEU A 54 10.911 52.887 50.514 1.00 44.30 C ATOM 493 H LEU A 54 13.118 51.236 46.017 1.00 0.00 H ATOM 494 N GLU A 55 14.604 54.460 47.409 1.00 49.98 N ATOM 495 CA GLU A 55 15.885 54.819 48.016 1.00 49.86 C ATOM 496 C GLU A 55 15.660 55.170 49.499 1.00 46.02 C ATOM 497 O GLU A 55 14.747 55.954 49.832 1.00 43.07 O ATOM 498 CB GLU A 55 16.514 55.981 47.242 1.00 53.91 C ATOM 499 CG GLU A 55 17.992 56.211 47.536 1.00 58.44 C ATOM 500 CD GLU A 55 18.650 57.373 46.791 1.00 63.07 C ATOM 501 OE1 GLU A 55 18.412 57.494 45.564 1.00 67.73 O ATOM 502 OE2 GLU A 55 19.385 58.173 47.435 1.00 62.50 O ATOM 503 H GLU A 55 14.116 55.158 46.813 1.00 0.00 H ATOM 504 N ILE A 56 16.518 54.626 50.378 1.00 43.45 N ATOM 505 CA ILE A 56 16.404 54.854 51.822 1.00 40.05 C ATOM 506 C ILE A 56 17.709 55.468 52.363 1.00 41.27 C ATOM 507 O ILE A 56 18.850 54.941 52.179 1.00 40.50 O ATOM 508 CB ILE A 56 16.042 53.561 52.585 1.00 38.47 C ATOM 509 CG1 ILE A 56 14.762 52.890 52.079 1.00 37.51 C ATOM 510 CG2 ILE A 56 15.933 53.855 54.071 1.00 37.23 C ATOM 511 CD1 ILE A 56 14.591 51.455 52.528 1.00 36.50 C ATOM 512 H ILE A 56 17.288 54.024 50.023 1.00 0.00 H ATOM 513 N LEU A 57 17.504 56.561 53.111 1.00 40.40 N ATOM 514 CA LEU A 57 18.561 57.249 53.822 1.00 42.22 C ATOM 515 C LEU A 57 18.377 56.996 55.317 1.00 39.12 C ATOM 516 O LEU A 57 17.324 57.283 55.835 1.00 37.13 O ATOM 517 CB LEU A 57 18.484 58.747 53.512 1.00 43.71 C ATOM 518 CG LEU A 57 19.259 59.215 52.287 1.00 47.44 C ATOM 519 CD1 LEU A 57 18.446 59.015 51.025 1.00 48.54 C ATOM 520 CD2 LEU A 57 19.634 60.683 52.421 1.00 49.47 C ATOM 521 H LEU A 57 16.536 56.934 53.184 1.00 0.00 H ATOM 522 N LEU A 58 19.402 56.493 55.997 1.00 41.64 N ATOM 523 CA LEU A 58 19.289 56.225 57.447 1.00 41.56 C ATOM 524 C LEU A 58 20.619 56.456 58.165 1.00 42.78 C ATOM 525 O LEU A 58 21.660 56.630 57.570 1.00 44.17 O ATOM 526 CB LEU A 58 18.808 54.784 57.670 1.00 42.81 C ATOM 527 CG LEU A 58 19.687 53.668 57.094 1.00 45.76 C ATOM 528 CD1 LEU A 58 20.763 53.237 58.079 1.00 47.62 C ATOM 529 CD2 LEU A 58 18.845 52.455 56.687 1.00 46.23 C ATOM 530 H LEU A 58 20.294 56.285 55.504 1.00 0.00 H ATOM 531 N GLN A 59 20.573 56.397 59.478 1.00 43.81 N ATOM 532 CA GLN A 59 21.793 56.409 60.239 1.00 47.51 C ATOM 533 C GLN A 59 21.984 55.052 60.923 1.00 47.58 C ATOM 534 O GLN A 59 21.028 54.321 61.207 1.00 45.25 O ATOM 535 CB GLN A 59 21.733 57.521 61.279 1.00 49.74 C ATOM 536 CG GLN A 59 21.650 58.921 60.687 1.00 52.95 C ATOM 537 CD GLN A 59 20.490 59.690 61.273 1.00 53.86 C ATOM 538 OE1 GLN A 59 20.276 59.736 62.497 1.00 53.84 O ATOM 539 NE2 GLN A 59 19.684 60.231 60.372 1.00 54.91 N ATOM 540 HE22 GLN A 59 19.914 60.161 59.360 1.00 0.00 H ATOM 541 HE21 GLN A 59 18.821 60.725 60.676 1.00 0.00 H ATOM 542 H GLN A 59 19.656 56.342 59.965 1.00 0.00 H ATOM 543 N LYS A 60 23.233 54.745 61.222 1.00 49.74 N ATOM 544 CA LYS A 60 23.540 53.562 61.985 1.00 51.02 C ATOM 545 C LYS A 60 24.869 53.784 62.711 1.00 53.17 C ATOM 546 O LYS A 60 25.828 54.308 62.114 1.00 55.03 O ATOM 547 CB LYS A 60 23.570 52.328 61.077 1.00 52.15 C ATOM 548 CG LYS A 60 24.307 51.150 61.689 1.00 55.71 C ATOM 549 CD LYS A 60 23.841 49.777 61.254 1.00 57.55 C ATOM 550 CE LYS A 60 24.351 48.700 62.194 1.00 59.87 C ATOM 551 NZ LYS A 60 24.079 49.022 63.623 1.00 57.11 N ATOM 552 HZ1 LYS A 60 24.549 49.916 63.871 1.00 0.00 H ATOM 553 HZ2 LYS A 60 23.053 49.117 63.767 1.00 0.00 H ATOM 554 HZ3 LYS A 60 24.446 48.257 64.225 1.00 0.00 H ATOM 555 H LYS A 60 24.005 55.365 60.903 1.00 0.00 H ATOM 556 N TRP A 61 24.898 53.390 63.987 1.00 53.37 N ATOM 557 CA TRP A 61 26.113 53.444 64.805 1.00 57.41 C ATOM 558 C TRP A 61 27.072 52.333 64.358 1.00 61.45 C ATOM 559 O TRP A 61 26.712 51.141 64.324 1.00 60.82 O ATOM 560 CB TRP A 61 25.789 53.327 66.301 1.00 56.32 C ATOM 561 CG TRP A 61 26.890 53.821 67.183 1.00 60.33 C ATOM 562 CD1 TRP A 61 27.931 53.099 67.696 1.00 63.33 C ATOM 563 CD2 TRP A 61 27.094 55.174 67.617 1.00 61.29 C ATOM 564 NE1 TRP A 61 28.763 53.908 68.421 1.00 64.80 N ATOM 565 CE2 TRP A 61 28.272 55.186 68.395 1.00 64.55 C ATOM 566 CE3 TRP A 61 26.391 56.367 67.435 1.00 60.46 C ATOM 567 CZ2 TRP A 61 28.767 56.352 68.980 1.00 66.61 C ATOM 568 CZ3 TRP A 61 26.891 57.522 67.999 1.00 63.51 C ATOM 569 CH2 TRP A 61 28.058 57.513 68.769 1.00 65.64 C ATOM 570 HE1 TRP A 61 29.627 53.602 68.912 1.00 0.00 H ATOM 571 H TRP A 61 24.022 53.030 64.418 1.00 0.00 H ATOM 572 N GLU A 62 28.285 52.718 63.994 1.00 64.34 N ATOM 573 CA GLU A 62 29.301 51.705 63.782 1.00 70.63 C ATOM 574 C GLU A 62 30.693 52.311 63.975 1.00 71.91 C ATOM 575 O GLU A 62 30.961 53.449 63.575 1.00 70.86 O ATOM 576 CB GLU A 62 29.137 51.065 62.403 1.00 73.99 C ATOM 577 CG GLU A 62 29.132 52.063 61.261 1.00 76.18 C ATOM 578 CD GLU A 62 28.956 51.415 59.900 1.00 79.28 C ATOM 579 OE1 GLU A 62 28.077 50.519 59.777 1.00 80.25 O ATOM 580 OE2 GLU A 62 29.696 51.806 58.966 1.00 80.84 O ATOM 581 H GLU A 62 28.505 53.726 63.863 1.00 0.00 H ATOM 582 N ASN A 63 31.563 51.510 64.582 1.00 75.09 N ATOM 583 CA ASN A 63 32.936 51.912 64.860 1.00 79.71 C ATOM 584 C ASN A 63 32.933 53.233 65.647 1.00 78.18 C ATOM 585 O ASN A 63 33.512 54.231 65.209 1.00 76.72 O ATOM 586 CB ASN A 63 33.762 51.995 63.572 1.00 84.57 C ATOM 587 CG ASN A 63 34.492 50.707 63.245 1.00 89.61 C ATOM 588 OD1 ASN A 63 34.169 50.038 62.262 1.00 90.32 O ATOM 589 ND2 ASN A 63 35.487 50.359 64.050 1.00 92.23 N ATOM 590 HD22 ASN A 63 35.726 50.954 64.869 1.00 0.00 H ATOM 591 HD21 ASN A 63 36.029 49.491 63.862 1.00 0.00 H ATOM 592 H ASN A 63 31.252 50.560 64.870 1.00 0.00 H ATOM 593 N GLY A 64 32.228 53.226 66.784 1.00 75.53 N ATOM 594 CA GLY A 64 32.200 54.348 67.724 1.00 73.44 C ATOM 595 C GLY A 64 31.610 55.634 67.155 1.00 71.16 C ATOM 596 O GLY A 64 31.940 56.706 67.664 1.00 72.01 O ATOM 597 H GLY A 64 31.670 52.378 67.012 1.00 0.00 H ATOM 598 N GLU A 65 30.758 55.597 66.127 1.00 68.14 N ATOM 599 CA GLU A 65 30.105 56.848 65.709 1.00 67.33 C ATOM 600 C GLU A 65 28.943 56.624 64.733 1.00 62.64 C ATOM 601 O GLU A 65 28.813 55.614 64.037 1.00 62.56 O ATOM 602 CB GLU A 65 31.098 57.831 65.086 1.00 74.02 C ATOM 603 CG GLU A 65 31.496 57.520 63.653 1.00 77.54 C ATOM 604 CD GLU A 65 32.541 58.478 63.097 1.00 83.27 C ATOM 605 OE1 GLU A 65 32.992 59.382 63.848 1.00 84.31 O ATOM 606 OE2 GLU A 65 32.904 58.318 61.912 1.00 87.05 O ATOM 607 H GLU A 65 30.560 54.704 65.633 1.00 0.00 H ATOM 608 N CYS A 66 28.120 57.657 64.702 1.00 58.14 N ATOM 609 CA CYS A 66 26.894 57.672 63.960 1.00 54.78 C ATOM 610 C CYS A 66 27.213 57.878 62.475 1.00 55.54 C ATOM 611 O CYS A 66 27.697 58.932 62.100 1.00 56.33 O ATOM 612 CB CYS A 66 25.989 58.783 64.483 1.00 51.98 C ATOM 613 SG CYS A 66 24.298 58.696 63.846 1.00 48.83 S ATOM 614 H CYS A 66 28.376 58.506 65.246 1.00 0.00 H ATOM 615 N ALA A 67 26.907 56.886 61.643 1.00 55.55 N ATOM 616 CA ALA A 67 27.242 56.929 60.214 1.00 57.00 C ATOM 617 C ALA A 67 25.969 57.043 59.370 1.00 54.28 C ATOM 618 O ALA A 67 24.970 56.426 59.659 1.00 51.44 O ATOM 619 CB ALA A 67 28.034 55.696 59.848 1.00 58.65 C ATOM 620 H ALA A 67 26.413 56.051 62.018 1.00 0.00 H ATOM 621 N GLN A 68 26.024 57.820 58.301 1.00 58.47 N ATOM 622 CA GLN A 68 24.913 57.887 57.341 1.00 59.10 C ATOM 623 C GLN A 68 25.052 56.725 56.349 1.00 58.33 C ATOM 624 O GLN A 68 26.148 56.399 55.931 1.00 59.45 O ATOM 625 CB GLN A 68 24.880 59.209 56.563 1.00 63.94 C ATOM 626 CG GLN A 68 25.345 60.443 57.331 1.00 68.34 C ATOM 627 CD GLN A 68 24.383 60.892 58.406 1.00 67.06 C ATOM 628 OE1 GLN A 68 23.201 61.121 58.155 1.00 66.51 O ATOM 629 NE2 GLN A 68 24.902 61.066 59.614 1.00 69.52 N ATOM 630 HE22 GLN A 68 25.907 60.860 59.783 1.00 0.00 H ATOM 631 HE21 GLN A 68 24.304 61.408 60.393 1.00 0.00 H ATOM 632 H GLN A 68 26.873 58.397 58.136 1.00 0.00 H ATOM 633 N LYS A 69 23.934 56.117 55.984 1.00 55.97 N ATOM 634 CA LYS A 69 23.919 54.994 55.063 1.00 58.43 C ATOM 635 C LYS A 69 22.851 55.247 53.999 1.00 57.31 C ATOM 636 O LYS A 69 21.813 55.830 54.293 1.00 53.31 O ATOM 637 CB LYS A 69 23.561 53.683 55.768 1.00 58.37 C ATOM 638 CG LYS A 69 24.480 53.257 56.901 1.00 61.40 C ATOM 639 CD LYS A 69 25.758 52.601 56.441 1.00 67.30 C ATOM 640 CE LYS A 69 26.463 51.819 57.533 1.00 69.46 C ATOM 641 NZ LYS A 69 27.693 51.160 57.027 1.00 74.06 N ATOM 642 HZ1 LYS A 69 27.443 50.502 56.261 1.00 0.00 H ATOM 643 HZ2 LYS A 69 28.348 51.882 56.665 1.00 0.00 H ATOM 644 HZ3 LYS A 69 28.147 50.635 57.801 1.00 0.00 H ATOM 645 H LYS A 69 23.031 56.457 56.372 1.00 0.00 H ATOM 646 N LYS A 70 23.124 54.806 52.775 1.00 61.75 N ATOM 647 CA LYS A 70 22.123 54.773 51.732 1.00 61.07 C ATOM 648 C LYS A 70 21.885 53.309 51.346 1.00 59.89 C ATOM 649 O LYS A 70 22.836 52.524 51.288 1.00 61.16 O ATOM 650 CB LYS A 70 22.560 55.611 50.528 1.00 65.48 C ATOM 651 CG LYS A 70 21.531 55.685 49.408 1.00 67.80 C ATOM 652 CD LYS A 70 22.084 56.189 48.091 1.00 74.35 C ATOM 653 CE LYS A 70 22.533 57.636 48.159 1.00 77.33 C ATOM 654 NZ LYS A 70 22.943 58.136 46.821 1.00 82.16 N ATOM 655 HZ1 LYS A 70 23.732 57.560 46.464 1.00 0.00 H ATOM 656 HZ2 LYS A 70 22.138 58.069 46.166 1.00 0.00 H ATOM 657 HZ3 LYS A 70 23.245 59.128 46.901 1.00 0.00 H ATOM 658 H LYS A 70 24.086 54.475 52.561 1.00 0.00 H ATOM 659 N ILE A 71 20.616 52.998 51.064 1.00 57.92 N ATOM 660 CA ILE A 71 20.104 51.636 50.880 1.00 58.84 C ATOM 661 C ILE A 71 19.000 51.654 49.804 1.00 56.09 C ATOM 662 O ILE A 71 18.187 52.584 49.760 1.00 53.91 O ATOM 663 CB ILE A 71 19.618 51.086 52.242 1.00 59.29 C ATOM 664 CG1 ILE A 71 20.753 50.385 52.996 1.00 64.46 C ATOM 665 CG2 ILE A 71 18.416 50.168 52.091 1.00 58.66 C ATOM 666 CD1 ILE A 71 21.133 49.021 52.425 1.00 67.28 C ATOM 667 H ILE A 71 19.940 53.782 50.968 1.00 0.00 H ATOM 668 N ILE A 72 18.979 50.658 48.911 1.00 56.75 N ATOM 669 CA ILE A 72 17.959 50.585 47.857 1.00 55.99 C ATOM 670 C ILE A 72 17.036 49.394 48.137 1.00 52.72 C ATOM 671 O ILE A 72 17.492 48.268 48.318 1.00 51.48 O ATOM 672 CB ILE A 72 18.584 50.469 46.456 1.00 61.65 C ATOM 673 CG1 ILE A 72 19.633 51.554 46.189 1.00 65.97 C ATOM 674 CG2 ILE A 72 17.489 50.473 45.402 1.00 61.94 C ATOM 675 CD1 ILE A 72 19.053 52.913 45.814 1.00 66.05 C ATOM 676 H ILE A 72 19.705 49.915 48.965 1.00 0.00 H ATOM 677 N ALA A 73 15.742 49.685 48.190 1.00 49.07 N ATOM 678 CA ALA A 73 14.688 48.706 48.329 1.00 47.67 C ATOM 679 C ALA A 73 13.982 48.569 46.974 1.00 49.94 C ATOM 680 O ALA A 73 13.379 49.533 46.511 1.00 50.54 O ATOM 681 CB ALA A 73 13.740 49.169 49.413 1.00 44.94 C ATOM 682 H ALA A 73 15.468 50.686 48.127 1.00 0.00 H ATOM 683 N GLU A 74 14.084 47.417 46.312 1.00 51.58 N ATOM 684 CA GLU A 74 13.485 47.264 44.970 1.00 54.37 C ATOM 685 C GLU A 74 12.027 46.809 45.075 1.00 50.45 C ATOM 686 O GLU A 74 11.672 46.059 45.965 1.00 48.97 O ATOM 687 CB GLU A 74 14.269 46.252 44.146 1.00 59.67 C ATOM 688 CG GLU A 74 15.753 46.422 44.329 1.00 64.23 C ATOM 689 CD GLU A 74 16.489 45.780 43.193 1.00 70.90 C ATOM 690 OE1 GLU A 74 16.328 44.552 43.041 1.00 75.80 O ATOM 691 OE2 GLU A 74 17.124 46.527 42.421 1.00 78.62 O ATOM 692 H GLU A 74 14.590 46.618 46.744 1.00 0.00 H ATOM 693 N LYS A 75 11.193 47.274 44.168 1.00 49.36 N ATOM 694 CA LYS A 75 9.805 46.898 44.199 1.00 48.61 C ATOM 695 C LYS A 75 9.675 45.404 43.858 1.00 48.89 C ATOM 696 O LYS A 75 10.522 44.817 43.169 1.00 50.13 O ATOM 697 CB LYS A 75 9.008 47.730 43.198 1.00 51.23 C ATOM 698 CG LYS A 75 9.250 47.315 41.757 1.00 56.35 C ATOM 699 CD LYS A 75 8.512 48.161 40.759 1.00 60.47 C ATOM 700 CE LYS A 75 9.116 48.090 39.372 1.00 65.23 C ATOM 701 NZ LYS A 75 8.362 48.935 38.414 1.00 69.49 N ATOM 702 HZ1 LYS A 75 7.377 48.606 38.364 1.00 0.00 H ATOM 703 HZ2 LYS A 75 8.383 49.924 38.735 1.00 0.00 H ATOM 704 HZ3 LYS A 75 8.800 48.865 37.473 1.00 0.00 H ATOM 705 H LYS A 75 11.539 47.916 43.426 1.00 0.00 H ATOM 706 N THR A 76 8.590 44.817 44.356 1.00 46.30 N ATOM 707 CA THR A 76 8.098 43.485 43.941 1.00 48.14 C ATOM 708 C THR A 76 6.684 43.640 43.292 1.00 48.99 C ATOM 709 O THR A 76 6.086 44.733 43.363 1.00 47.17 O ATOM 710 CB THR A 76 8.074 42.537 45.161 1.00 45.79 C ATOM 711 OG1 THR A 76 7.063 42.980 46.083 1.00 41.73 O ATOM 712 CG2 THR A 76 9.419 42.471 45.859 1.00 45.26 C ATOM 713 HG1 THR A 76 7.270 43.901 46.381 1.00 0.00 H ATOM 714 H THR A 76 8.052 45.328 45.085 1.00 0.00 H ATOM 715 N LYS A 77 6.146 42.406 42.925 1.00 52.86 N ATOM 716 CA LYS A 77 4.782 42.307 42.401 1.00 54.84 C ATOM 717 C LYS A 77 3.760 42.736 43.468 1.00 51.68 C ATOM 718 O LYS A 77 2.622 43.053 43.159 1.00 51.15 O ATOM 719 CB LYS A 77 4.512 40.899 41.856 1.00 58.00 C ATOM 720 CG LYS A 77 5.319 40.518 40.617 1.00 61.33 C ATOM 721 CD LYS A 77 4.774 39.318 39.854 1.00 64.41 C ATOM 722 CE LYS A 77 5.692 38.114 39.869 1.00 66.59 C ATOM 723 NZ LYS A 77 6.693 38.177 38.777 1.00 69.13 N ATOM 724 HZ1 LYS A 77 6.203 38.205 37.860 1.00 0.00 H ATOM 725 HZ2 LYS A 77 7.272 39.034 38.888 1.00 0.00 H ATOM 726 HZ3 LYS A 77 7.304 37.336 38.819 1.00 0.00 H ATOM 727 H LYS A 77 6.721 41.545 43.025 1.00 0.00 H ATOM 728 N ILE A 78 4.130 42.767 44.732 1.00 50.23 N ATOM 729 CA ILE A 78 3.167 43.189 45.713 1.00 48.03 C ATOM 730 C ILE A 78 3.484 44.647 46.037 1.00 45.47 C ATOM 731 O ILE A 78 4.598 44.945 46.375 1.00 45.84 O ATOM 732 CB ILE A 78 3.207 42.264 46.946 1.00 48.06 C ATOM 733 CG1 ILE A 78 2.990 40.798 46.555 1.00 51.19 C ATOM 734 CG2 ILE A 78 2.222 42.749 48.013 1.00 46.20 C ATOM 735 CD1 ILE A 78 3.343 39.799 47.659 1.00 51.24 C ATOM 736 H ILE A 78 5.093 42.493 45.013 1.00 0.00 H ATOM 737 N PRO A 79 2.521 45.554 45.874 1.00 45.48 N ATOM 738 CA PRO A 79 2.873 46.971 46.084 1.00 44.67 C ATOM 739 C PRO A 79 3.445 47.318 47.475 1.00 42.22 C ATOM 740 O PRO A 79 4.195 48.293 47.609 1.00 41.85 O ATOM 741 CB PRO A 79 1.541 47.698 45.842 1.00 45.30 C ATOM 742 CG PRO A 79 0.838 46.829 44.812 1.00 47.22 C ATOM 743 CD PRO A 79 1.186 45.424 45.262 1.00 46.94 C ATOM 744 N ALA A 80 3.127 46.522 48.496 1.00 40.41 N ATOM 745 CA ALA A 80 3.513 46.853 49.887 1.00 37.79 C ATOM 746 C ALA A 80 4.858 46.212 50.250 1.00 35.63 C ATOM 747 O ALA A 80 5.336 46.441 51.309 1.00 34.93 O ATOM 748 CB ALA A 80 2.430 46.404 50.853 1.00 37.24 C ATOM 749 H ALA A 80 2.595 45.648 48.311 1.00 0.00 H ATOM 750 N VAL A 81 5.430 45.381 49.396 1.00 38.09 N ATOM 751 CA VAL A 81 6.603 44.613 49.740 1.00 38.37 C ATOM 752 C VAL A 81 7.763 44.984 48.803 1.00 39.20 C ATOM 753 O VAL A 81 7.611 44.940 47.582 1.00 40.87 O ATOM 754 CB VAL A 81 6.294 43.108 49.636 1.00 40.42 C ATOM 755 CG1 VAL A 81 7.544 42.265 49.859 1.00 40.72 C ATOM 756 CG2 VAL A 81 5.180 42.690 50.592 1.00 39.42 C ATOM 757 H VAL A 81 5.022 45.277 48.445 1.00 0.00 H ATOM 758 N PHE A 82 8.932 45.181 49.409 1.00 39.24 N ATOM 759 CA PHE A 82 10.194 45.585 48.759 1.00 41.50 C ATOM 760 C PHE A 82 11.321 44.639 49.183 1.00 44.28 C ATOM 761 O PHE A 82 11.207 44.013 50.214 1.00 42.29 O ATOM 762 CB PHE A 82 10.555 47.023 49.140 1.00 38.31 C ATOM 763 CG PHE A 82 9.576 48.007 48.570 1.00 38.27 C ATOM 764 CD1 PHE A 82 8.350 48.214 49.180 1.00 36.96 C ATOM 765 CD2 PHE A 82 9.833 48.633 47.356 1.00 40.21 C ATOM 766 CE1 PHE A 82 7.405 49.041 48.587 1.00 37.55 C ATOM 767 CE2 PHE A 82 8.906 49.497 46.796 1.00 39.63 C ATOM 768 CZ PHE A 82 7.678 49.668 47.392 1.00 37.84 C ATOM 769 H PHE A 82 8.958 45.036 50.439 1.00 0.00 H ATOM 770 N LYS A 83 12.399 44.578 48.405 1.00 49.00 N ATOM 771 CA LYS A 83 13.539 43.724 48.729 1.00 55.26 C ATOM 772 C LYS A 83 14.797 44.577 48.859 1.00 55.22 C ATOM 773 O LYS A 83 15.113 45.349 47.957 1.00 54.20 O ATOM 774 CB LYS A 83 13.844 42.705 47.628 1.00 62.55 C ATOM 775 CG LYS A 83 12.813 41.608 47.421 1.00 68.59 C ATOM 776 CD LYS A 83 13.278 40.525 46.447 1.00 77.51 C ATOM 777 CE LYS A 83 14.402 39.665 46.999 1.00 84.24 C ATOM 778 NZ LYS A 83 14.183 39.297 48.427 1.00 83.29 N ATOM 779 HZ1 LYS A 83 14.126 40.162 49.002 1.00 0.00 H ATOM 780 HZ2 LYS A 83 13.295 38.763 48.514 1.00 0.00 H ATOM 781 HZ3 LYS A 83 14.976 38.711 48.758 1.00 0.00 H ATOM 782 H LYS A 83 12.431 45.155 47.541 1.00 0.00 H ATOM 783 N ILE A 84 15.538 44.365 49.935 1.00 58.59 N ATOM 784 CA ILE A 84 16.776 45.097 50.144 1.00 64.65 C ATOM 785 C ILE A 84 17.881 44.468 49.280 1.00 72.74 C ATOM 786 O ILE A 84 18.850 45.141 48.922 1.00 80.12 O ATOM 787 CB ILE A 84 17.162 45.154 51.636 1.00 62.16 C ATOM 788 CG1 ILE A 84 16.119 45.896 52.482 1.00 62.13 C ATOM 789 CG2 ILE A 84 18.547 45.756 51.808 1.00 62.71 C ATOM 790 CD1 ILE A 84 15.660 47.234 51.923 1.00 61.16 C ATOM 791 H ILE A 84 15.230 43.665 50.640 1.00 0.00 H ATOM 792 N ASP A 85 17.741 43.206 48.902 1.00 80.03 N ATOM 793 CA ASP A 85 18.859 42.522 48.251 1.00 91.55 C ATOM 794 C ASP A 85 20.089 42.793 49.130 1.00 96.35 C ATOM 795 O ASP A 85 19.996 42.604 50.341 1.00107.80 O ATOM 796 CB ASP A 85 19.011 42.914 46.768 1.00 95.65 C ATOM 797 CG ASP A 85 18.355 41.890 45.819 1.00 99.40 C ATOM 798 OD1 ASP A 85 17.289 41.332 46.175 1.00 99.03 O ATOM 799 OD2 ASP A 85 18.906 41.632 44.720 1.00102.08 O ATOM 800 H ASP A 85 16.844 42.706 49.067 1.00 0.00 H ATOM 801 N ALA A 86 21.209 43.271 48.614 1.00 96.62 N ATOM 802 CA ALA A 86 22.435 43.151 49.400 1.00 99.13 C ATOM 803 C ALA A 86 22.612 41.676 49.814 1.00102.77 C ATOM 804 O ALA A 86 22.255 40.785 49.038 1.00110.41 O ATOM 805 CB ALA A 86 22.395 44.107 50.572 1.00 94.02 C ATOM 806 H ALA A 86 21.217 43.719 47.676 1.00 0.00 H ATOM 807 N LEU A 87 23.117 41.381 51.013 1.00100.52 N ATOM 808 CA LEU A 87 23.713 40.054 51.282 1.00101.72 C ATOM 809 C LEU A 87 22.650 38.937 51.261 1.00101.15 C ATOM 810 O LEU A 87 22.843 37.941 50.562 1.00101.05 O ATOM 811 CB LEU A 87 24.474 40.134 52.614 1.00100.79 C ATOM 812 CG LEU A 87 25.370 38.947 52.990 1.00103.87 C ATOM 813 CD1 LEU A 87 25.959 38.254 51.765 1.00105.73 C ATOM 814 CD2 LEU A 87 26.478 39.390 53.942 1.00103.92 C ATOM 815 H LEU A 87 23.091 42.094 51.770 1.00 0.00 H ATOM 816 N ASN A 88 21.526 39.099 51.970 1.00 99.41 N ATOM 817 CA ASN A 88 20.608 37.973 52.286 1.00100.22 C ATOM 818 C ASN A 88 19.257 38.091 51.562 1.00 95.61 C ATOM 819 O ASN A 88 18.480 37.135 51.566 1.00 92.82 O ATOM 820 CB ASN A 88 20.262 37.875 53.777 1.00103.05 C ATOM 821 CG ASN A 88 21.198 38.636 54.694 1.00102.79 C ATOM 822 OD1 ASN A 88 22.389 38.758 54.418 1.00120.27 O ATOM 823 ND2 ASN A 88 20.665 39.140 55.798 1.00 99.38 N ATOM 824 HD22 ASN A 88 19.651 39.012 55.991 1.00 0.00 H ATOM 825 HD21 ASN A 88 21.261 39.663 56.471 1.00 0.00 H ATOM 826 H ASN A 88 21.285 40.051 52.314 1.00 0.00 H ATOM 827 N GLU A 89 18.948 39.252 50.993 1.00 93.22 N ATOM 828 CA GLU A 89 17.648 39.507 50.342 1.00 90.97 C ATOM 829 C GLU A 89 16.553 39.548 51.421 1.00 84.58 C ATOM 830 O GLU A 89 15.711 38.658 51.562 1.00 87.57 O ATOM 831 CB GLU A 89 17.408 38.516 49.196 1.00 95.12 C ATOM 832 CG GLU A 89 18.407 38.664 48.051 1.00100.06 C ATOM 833 CD GLU A 89 18.772 37.390 47.301 1.00105.10 C ATOM 834 OE1 GLU A 89 19.939 36.960 47.398 1.00106.85 O ATOM 835 OE2 GLU A 89 17.901 36.841 46.596 1.00108.66 O ATOM 836 H GLU A 89 19.654 40.015 51.007 1.00 0.00 H ATOM 837 N ASN A 90 16.593 40.629 52.183 1.00 75.99 N ATOM 838 CA ASN A 90 15.614 40.882 53.213 1.00 69.76 C ATOM 839 C ASN A 90 14.386 41.524 52.563 1.00 61.87 C ATOM 840 O ASN A 90 14.498 42.280 51.602 1.00 61.92 O ATOM 841 CB ASN A 90 16.201 41.726 54.352 1.00 70.13 C ATOM 842 CG ASN A 90 17.037 40.897 55.310 1.00 74.25 C ATOM 843 OD1 ASN A 90 17.735 39.979 54.881 1.00 83.86 O ATOM 844 ND2 ASN A 90 16.952 41.172 56.604 1.00 71.93 N ATOM 845 HD22 ASN A 90 16.352 41.956 56.931 1.00 0.00 H ATOM 846 HD21 ASN A 90 17.486 40.604 57.293 1.00 0.00 H ATOM 847 H ASN A 90 17.356 41.320 52.035 1.00 0.00 H ATOM 848 N LYS A 91 13.214 41.170 53.065 1.00 54.43 N ATOM 849 CA LYS A 91 11.995 41.783 52.595 1.00 49.13 C ATOM 850 C LYS A 91 11.539 42.814 53.621 1.00 42.90 C ATOM 851 O LYS A 91 11.647 42.602 54.851 1.00 39.03 O ATOM 852 CB LYS A 91 10.879 40.762 52.390 1.00 51.48 C ATOM 853 CG LYS A 91 11.147 39.717 51.320 1.00 58.04 C ATOM 854 CD LYS A 91 9.980 38.756 51.158 1.00 61.68 C ATOM 855 CE LYS A 91 10.150 37.751 50.032 1.00 66.51 C ATOM 856 NZ LYS A 91 10.212 38.424 48.713 1.00 67.54 N ATOM 857 HZ1 LYS A 91 9.331 38.954 48.554 1.00 0.00 H ATOM 858 HZ2 LYS A 91 11.020 39.079 48.697 1.00 0.00 H ATOM 859 HZ3 LYS A 91 10.328 37.710 47.966 1.00 0.00 H ATOM 860 H LYS A 91 13.171 40.442 53.806 1.00 0.00 H ATOM 861 N VAL A 92 10.982 43.887 53.073 1.00 38.40 N ATOM 862 CA VAL A 92 10.412 44.959 53.844 1.00 35.36 C ATOM 863 C VAL A 92 8.941 45.074 53.474 1.00 34.25 C ATOM 864 O VAL A 92 8.638 45.169 52.310 1.00 36.97 O ATOM 865 CB VAL A 92 11.124 46.294 53.576 1.00 33.68 C ATOM 866 CG1 VAL A 92 10.423 47.426 54.298 1.00 32.13 C ATOM 867 CG2 VAL A 92 12.591 46.236 53.947 1.00 34.25 C ATOM 868 H VAL A 92 10.957 43.956 52.036 1.00 0.00 H ATOM 869 N LEU A 93 8.067 45.142 54.468 1.00 34.73 N ATOM 870 CA LEU A 93 6.627 45.117 54.255 1.00 35.35 C ATOM 871 C LEU A 93 6.014 46.356 54.913 1.00 33.90 C ATOM 872 O LEU A 93 6.300 46.633 56.061 1.00 31.23 O ATOM 873 CB LEU A 93 6.071 43.821 54.850 1.00 38.20 C ATOM 874 CG LEU A 93 4.555 43.565 54.744 1.00 41.57 C ATOM 875 CD1 LEU A 93 3.807 44.118 55.939 1.00 43.55 C ATOM 876 CD2 LEU A 93 3.915 44.102 53.471 1.00 41.69 C ATOM 877 H LEU A 93 8.425 45.216 55.442 1.00 0.00 H ATOM 878 N VAL A 94 5.208 47.110 54.160 1.00 33.64 N ATOM 879 CA VAL A 94 4.485 48.212 54.744 1.00 32.46 C ATOM 880 C VAL A 94 3.138 47.687 55.240 1.00 34.38 C ATOM 881 O VAL A 94 2.326 47.269 54.415 1.00 35.23 O ATOM 882 CB VAL A 94 4.259 49.352 53.741 1.00 33.30 C ATOM 883 CG1 VAL A 94 3.465 50.494 54.361 1.00 31.99 C ATOM 884 CG2 VAL A 94 5.571 49.854 53.158 1.00 34.05 C ATOM 885 H VAL A 94 5.102 46.901 53.147 1.00 0.00 H ATOM 886 N LEU A 95 2.900 47.796 56.554 1.00 32.74 N ATOM 887 CA LEU A 95 1.704 47.253 57.185 1.00 34.14 C ATOM 888 C LEU A 95 0.540 48.227 56.991 1.00 35.09 C ATOM 889 O LEU A 95 -0.632 47.831 56.827 1.00 34.26 O ATOM 890 CB LEU A 95 1.959 47.068 58.690 1.00 33.08 C ATOM 891 CG LEU A 95 2.607 45.753 59.122 1.00 33.73 C ATOM 892 CD1 LEU A 95 4.083 45.700 58.785 1.00 34.15 C ATOM 893 CD2 LEU A 95 2.413 45.545 60.605 1.00 32.62 C ATOM 894 H LEU A 95 3.597 48.288 57.148 1.00 0.00 H ATOM 895 N ASP A 96 0.879 49.503 57.165 1.00 35.36 N ATOM 896 CA ASP A 96 -0.129 50.524 57.277 1.00 36.08 C ATOM 897 C ASP A 96 0.551 51.891 57.282 1.00 34.11 C ATOM 898 O ASP A 96 1.588 52.083 57.889 1.00 32.66 O ATOM 899 CB ASP A 96 -0.904 50.296 58.562 1.00 38.37 C ATOM 900 CG ASP A 96 -2.094 51.236 58.724 1.00 40.47 C ATOM 901 OD1 ASP A 96 -2.718 51.688 57.712 1.00 39.90 O ATOM 902 OD2 ASP A 96 -2.390 51.458 59.915 1.00 38.46 O ATOM 903 H ASP A 96 1.884 49.765 57.221 1.00 0.00 H ATOM 904 N THR A 97 -0.007 52.829 56.541 1.00 33.88 N ATOM 905 CA THR A 97 0.422 54.221 56.636 1.00 33.57 C ATOM 906 C THR A 97 -0.752 55.119 56.259 1.00 35.85 C ATOM 907 O THR A 97 -1.610 54.704 55.495 1.00 38.27 O ATOM 908 CB THR A 97 1.579 54.536 55.681 1.00 32.19 C ATOM 909 OG1 THR A 97 1.925 55.905 55.880 1.00 30.75 O ATOM 910 CG2 THR A 97 1.217 54.286 54.233 1.00 33.25 C ATOM 911 HG1 THR A 97 2.201 56.041 56.821 1.00 0.00 H ATOM 912 H THR A 97 -0.766 52.572 55.878 1.00 0.00 H ATOM 913 N ASP A 98 -0.751 56.343 56.773 1.00 37.08 N ATOM 914 CA ASP A 98 -1.655 57.395 56.301 1.00 37.54 C ATOM 915 C ASP A 98 -0.854 58.508 55.617 1.00 37.02 C ATOM 916 O ASP A 98 -1.410 59.560 55.384 1.00 36.61 O ATOM 917 CB ASP A 98 -2.501 57.969 57.457 1.00 38.27 C ATOM 918 CG ASP A 98 -1.676 58.801 58.442 1.00 37.51 C ATOM 919 OD1 ASP A 98 -0.473 58.980 58.233 1.00 37.54 O ATOM 920 OD2 ASP A 98 -2.228 59.280 59.441 1.00 38.82 O ATOM 921 H ASP A 98 -0.083 56.563 57.539 1.00 0.00 H ATOM 922 N TYR A 99 0.440 58.271 55.367 1.00 35.63 N ATOM 923 CA TYR A 99 1.313 59.134 54.525 1.00 37.95 C ATOM 924 C TYR A 99 1.681 60.455 55.218 1.00 38.31 C ATOM 925 O TYR A 99 2.829 60.857 55.153 1.00 38.56 O ATOM 926 CB TYR A 99 0.680 59.429 53.163 1.00 39.06 C ATOM 927 CG TYR A 99 0.288 58.203 52.380 1.00 39.24 C ATOM 928 CD1 TYR A 99 1.251 57.374 51.829 1.00 38.93 C ATOM 929 CD2 TYR A 99 -1.044 57.895 52.144 1.00 39.88 C ATOM 930 CE1 TYR A 99 0.893 56.255 51.090 1.00 40.84 C ATOM 931 CE2 TYR A 99 -1.417 56.775 51.413 1.00 40.77 C ATOM 932 CZ TYR A 99 -0.441 55.951 50.880 1.00 40.20 C ATOM 933 OH TYR A 99 -0.774 54.872 50.122 1.00 42.55 O ATOM 934 HH TYR A 99 -1.282 55.173 49.327 1.00 0.00 H ATOM 935 H TYR A 99 0.866 57.423 55.792 1.00 0.00 H ATOM 936 N LYS A 100 0.746 61.136 55.859 1.00 40.81 N ATOM 937 CA LYS A 100 1.016 62.481 56.363 1.00 45.65 C ATOM 938 C LYS A 100 1.404 62.453 57.859 1.00 43.94 C ATOM 939 O LYS A 100 1.823 63.497 58.364 1.00 43.50 O ATOM 940 CB LYS A 100 -0.192 63.386 56.084 1.00 53.03 C ATOM 941 CG LYS A 100 -1.508 62.934 56.710 1.00 60.80 C ATOM 942 CD LYS A 100 -2.614 64.004 56.841 1.00 69.21 C ATOM 943 CE LYS A 100 -3.286 64.036 58.212 1.00 70.95 C ATOM 944 NZ LYS A 100 -3.637 62.681 58.721 1.00 69.80 N ATOM 945 HZ1 LYS A 100 -4.294 62.222 58.058 1.00 0.00 H ATOM 946 HZ2 LYS A 100 -2.772 62.109 58.806 1.00 0.00 H ATOM 947 HZ3 LYS A 100 -4.089 62.769 59.653 1.00 0.00 H ATOM 948 H LYS A 100 -0.191 60.710 56.006 1.00 0.00 H ATOM 949 N LYS A 101 1.290 61.312 58.571 1.00 39.72 N ATOM 950 CA LYS A 101 1.630 61.275 60.017 1.00 41.03 C ATOM 951 C LYS A 101 2.462 60.043 60.418 1.00 37.14 C ATOM 952 O LYS A 101 3.401 60.210 61.186 1.00 38.64 O ATOM 953 CB LYS A 101 0.378 61.351 60.899 1.00 45.71 C ATOM 954 CG LYS A 101 -0.133 62.767 61.154 1.00 52.62 C ATOM 955 CD LYS A 101 -1.585 62.870 61.598 1.00 57.09 C ATOM 956 CE LYS A 101 -1.877 62.184 62.917 1.00 61.48 C ATOM 957 NZ LYS A 101 -1.822 63.127 64.068 1.00 66.44 N ATOM 958 HZ1 LYS A 101 -0.872 63.547 64.126 1.00 0.00 H ATOM 959 HZ2 LYS A 101 -2.527 63.879 63.932 1.00 0.00 H ATOM 960 HZ3 LYS A 101 -2.028 62.611 64.947 1.00 0.00 H ATOM 961 H LYS A 101 0.959 60.446 58.100 1.00 0.00 H ATOM 962 N TYR A 102 2.116 58.825 60.001 1.00 33.62 N ATOM 963 CA TYR A 102 2.801 57.629 60.497 1.00 31.66 C ATOM 964 C TYR A 102 2.943 56.588 59.383 1.00 30.44 C ATOM 965 O TYR A 102 2.235 56.611 58.383 1.00 32.26 O ATOM 966 CB TYR A 102 2.038 57.039 61.685 1.00 31.97 C ATOM 967 CG TYR A 102 0.777 56.300 61.316 1.00 33.42 C ATOM 968 CD1 TYR A 102 -0.423 56.976 61.130 1.00 34.37 C ATOM 969 CD2 TYR A 102 0.803 54.933 61.055 1.00 31.95 C ATOM 970 CE1 TYR A 102 -1.576 56.299 60.753 1.00 34.67 C ATOM 971 CE2 TYR A 102 -0.338 54.242 60.690 1.00 31.04 C ATOM 972 CZ TYR A 102 -1.535 54.924 60.547 1.00 34.15 C ATOM 973 OH TYR A 102 -2.664 54.243 60.187 1.00 32.72 O ATOM 974 HH TYR A 102 -2.860 53.549 60.865 1.00 0.00 H ATOM 975 H TYR A 102 1.345 58.722 59.310 1.00 0.00 H ATOM 976 N LEU A 103 3.876 55.678 59.576 1.00 28.94 N ATOM 977 CA LEU A 103 4.019 54.515 58.730 1.00 28.24 C ATOM 978 C LEU A 103 4.563 53.367 59.580 1.00 26.59 C ATOM 979 O LEU A 103 5.573 53.495 60.254 1.00 25.25 O ATOM 980 CB LEU A 103 4.959 54.831 57.559 1.00 29.81 C ATOM 981 CG LEU A 103 5.153 53.696 56.540 1.00 31.96 C ATOM 982 CD1 LEU A 103 5.313 54.240 55.113 1.00 33.06 C ATOM 983 CD2 LEU A 103 6.340 52.806 56.917 1.00 31.27 C ATOM 984 H LEU A 103 4.537 55.802 60.370 1.00 0.00 H ATOM 985 N LEU A 104 3.905 52.218 59.502 1.00 27.10 N ATOM 986 CA LEU A 104 4.374 51.025 60.189 1.00 25.03 C ATOM 987 C LEU A 104 5.024 50.098 59.165 1.00 25.71 C ATOM 988 O LEU A 104 4.382 49.764 58.178 1.00 27.79 O ATOM 989 CB LEU A 104 3.198 50.308 60.849 1.00 24.66 C ATOM 990 CG LEU A 104 2.275 51.152 61.729 1.00 25.65 C ATOM 991 CD1 LEU A 104 1.245 50.271 62.404 1.00 26.43 C ATOM 992 CD2 LEU A 104 3.034 51.921 62.806 1.00 25.21 C ATOM 993 H LEU A 104 3.034 52.169 58.937 1.00 0.00 H ATOM 994 N PHE A 105 6.251 49.640 59.416 1.00 25.74 N ATOM 995 CA PHE A 105 6.821 48.607 58.565 1.00 26.64 C ATOM 996 C PHE A 105 7.485 47.508 59.394 1.00 26.90 C ATOM 997 O PHE A 105 7.907 47.738 60.501 1.00 25.98 O ATOM 998 CB PHE A 105 7.832 49.215 57.590 1.00 26.37 C ATOM 999 CG PHE A 105 9.200 49.511 58.144 1.00 25.44 C ATOM 1000 CD1 PHE A 105 10.197 48.557 58.122 1.00 27.18 C ATOM 1001 CD2 PHE A 105 9.521 50.775 58.619 1.00 25.10 C ATOM 1002 CE1 PHE A 105 11.470 48.849 58.604 1.00 27.61 C ATOM 1003 CE2 PHE A 105 10.789 51.071 59.102 1.00 23.99 C ATOM 1004 CZ PHE A 105 11.759 50.101 59.112 1.00 25.39 C ATOM 1005 H PHE A 105 6.797 50.019 60.216 1.00 0.00 H ATOM 1006 N CYS A 106 7.591 46.336 58.795 1.00 28.33 N ATOM 1007 CA CYS A 106 8.392 45.250 59.333 1.00 30.08 C ATOM 1008 C CYS A 106 9.356 44.754 58.257 1.00 32.76 C ATOM 1009 O CYS A 106 9.106 44.951 57.048 1.00 34.98 O ATOM 1010 CB CYS A 106 7.527 44.075 59.778 1.00 30.09 C ATOM 1011 SG CYS A 106 6.439 44.486 61.159 1.00 29.61 S ATOM 1012 H CYS A 106 7.080 46.184 57.902 1.00 0.00 H ATOM 1013 N MET A 107 10.385 44.060 58.703 1.00 33.18 N ATOM 1014 CA MET A 107 11.359 43.491 57.828 1.00 37.22 C ATOM 1015 C MET A 107 11.666 42.072 58.295 1.00 37.59 C ATOM 1016 O MET A 107 11.758 41.837 59.476 1.00 35.94 O ATOM 1017 CB MET A 107 12.641 44.323 57.886 1.00 42.67 C ATOM 1018 CG MET A 107 13.692 43.886 56.869 1.00 52.71 C ATOM 1019 SD MET A 107 15.296 44.737 57.018 1.00 64.04 S ATOM 1020 CE MET A 107 15.170 45.311 58.713 1.00 59.13 C ATOM 1021 H MET A 107 10.491 43.922 59.728 1.00 0.00 H ATOM 1022 N GLU A 108 11.855 41.118 57.398 1.00 42.17 N ATOM 1023 CA GLU A 108 12.384 39.826 57.818 1.00 46.30 C ATOM 1024 C GLU A 108 13.483 39.362 56.867 1.00 51.92 C ATOM 1025 O GLU A 108 13.490 39.706 55.695 1.00 51.49 O ATOM 1026 CB GLU A 108 11.302 38.748 57.859 1.00 47.70 C ATOM 1027 CG GLU A 108 10.605 38.509 56.533 1.00 47.48 C ATOM 1028 CD GLU A 108 9.371 37.639 56.658 1.00 47.84 C ATOM 1029 OE1 GLU A 108 8.469 37.991 57.455 1.00 46.15 O ATOM 1030 OE2 GLU A 108 9.307 36.633 55.939 1.00 50.32 O ATOM 1031 H GLU A 108 11.627 41.289 56.398 1.00 0.00 H ATOM 1032 N ASN A 109 14.351 38.522 57.409 1.00 61.37 N ATOM 1033 CA ASN A 109 15.351 37.801 56.645 1.00 71.74 C ATOM 1034 C ASN A 109 14.655 36.689 55.853 1.00 80.04 C ATOM 1035 O ASN A 109 13.833 35.969 56.420 1.00 79.68 O ATOM 1036 CB ASN A 109 16.424 37.230 57.572 1.00 75.17 C ATOM 1037 CG ASN A 109 17.496 36.481 56.816 1.00 82.80 C ATOM 1038 OD1 ASN A 109 17.212 35.497 56.132 1.00 86.62 O ATOM 1039 ND2 ASN A 109 18.732 36.943 56.930 1.00 88.08 N ATOM 1040 HD22 ASN A 109 18.923 37.778 57.520 1.00 0.00 H ATOM 1041 HD21 ASN A 109 19.512 36.471 56.430 1.00 0.00 H ATOM 1042 H ASN A 109 14.314 38.371 58.437 1.00 0.00 H ATOM 1043 N SER A 110 15.005 36.525 54.572 1.00 91.19 N ATOM 1044 CA SER A 110 14.291 35.576 53.685 1.00 99.40 C ATOM 1045 C SER A 110 14.472 34.110 54.140 1.00104.43 C ATOM 1046 O SER A 110 13.819 33.231 53.567 1.00106.15 O ATOM 1047 CB SER A 110 14.659 35.764 52.215 1.00103.84 C ATOM 1048 OG SER A 110 16.030 35.476 51.959 1.00108.96 O ATOM 1049 HG SER A 110 16.599 36.081 52.498 1.00 0.00 H ATOM 1050 H SER A 110 15.798 37.078 54.189 1.00 0.00 H ATOM 1051 N ALA A 111 15.309 33.804 55.143 1.00107.49 N ATOM 1052 CA ALA A 111 15.183 32.507 55.835 1.00111.58 C ATOM 1053 C ALA A 111 16.007 32.450 57.124 1.00116.25 C ATOM 1054 O ALA A 111 16.832 33.308 57.425 1.00113.75 O ATOM 1055 CB ALA A 111 15.585 31.376 54.931 1.00115.86 C ATOM 1056 H ALA A 111 16.045 34.480 55.432 1.00 0.00 H ATOM 1057 N GLU A 112 15.740 31.373 57.857 1.00123.88 N ATOM 1058 CA GLU A 112 16.357 31.037 59.143 1.00126.87 C ATOM 1059 C GLU A 112 15.879 29.606 59.466 1.00134.63 C ATOM 1060 O GLU A 112 14.830 29.225 58.923 1.00131.45 O ATOM 1061 CB GLU A 112 15.999 32.125 60.162 1.00120.52 C ATOM 1062 CG GLU A 112 14.540 32.561 60.111 1.00117.19 C ATOM 1063 CD GLU A 112 14.212 33.837 59.343 1.00111.59 C ATOM 1064 OE1 GLU A 112 13.283 33.791 58.502 1.00105.15 O ATOM 1065 OE2 GLU A 112 14.846 34.885 59.610 1.00104.49 O ATOM 1066 H GLU A 112 15.030 30.710 57.484 1.00 0.00 H ATOM 1067 N PRO A 113 16.555 28.762 60.271 1.00143.12 N ATOM 1068 CA PRO A 113 17.261 29.000 61.545 1.00141.86 C ATOM 1069 C PRO A 113 16.469 29.783 62.604 1.00134.56 C ATOM 1070 O PRO A 113 15.279 29.518 62.829 1.00125.59 O ATOM 1071 CB PRO A 113 18.553 29.696 61.112 1.00143.96 C ATOM 1072 CG PRO A 113 18.941 28.898 59.907 1.00147.73 C ATOM 1073 CD PRO A 113 17.631 28.387 59.324 1.00147.99 C ATOM 1074 N GLU A 114 17.169 30.691 63.278 1.00132.86 N ATOM 1075 CA GLU A 114 16.610 31.503 64.353 1.00128.00 C ATOM 1076 C GLU A 114 15.936 32.738 63.731 1.00119.84 C ATOM 1077 O GLU A 114 16.569 33.462 62.961 1.00120.46 O ATOM 1078 CB GLU A 114 17.732 31.840 65.344 1.00126.32 C ATOM 1079 CG GLU A 114 18.316 30.620 66.053 1.00128.88 C ATOM 1080 CD GLU A 114 19.541 29.967 65.421 1.00131.06 C ATOM 1081 OE1 GLU A 114 19.373 29.209 64.438 1.00130.34 O ATOM 1082 OE2 GLU A 114 20.660 30.186 65.937 1.00129.24 O ATOM 1083 H GLU A 114 18.168 30.829 63.025 1.00 0.00 H ATOM 1084 N GLN A 115 14.658 32.977 64.053 1.00112.00 N ATOM 1085 CA GLN A 115 13.824 33.954 63.312 1.00100.68 C ATOM 1086 C GLN A 115 14.276 35.392 63.600 1.00 90.53 C ATOM 1087 O GLN A 115 14.401 35.808 64.758 1.00 92.10 O ATOM 1088 CB GLN A 115 12.336 33.785 63.635 1.00 97.55 C ATOM 1089 CG GLN A 115 11.422 34.534 62.676 1.00 93.13 C ATOM 1090 CD GLN A 115 11.786 34.288 61.230 1.00 92.91 C ATOM 1091 OE1 GLN A 115 11.696 33.169 60.724 1.00 94.14 O ATOM 1092 NE2 GLN A 115 12.199 35.346 60.548 1.00 88.05 N ATOM 1093 HE22 GLN A 115 12.260 36.274 61.014 1.00 0.00 H ATOM 1094 HE21 GLN A 115 12.462 35.249 59.546 1.00 0.00 H ATOM 1095 H GLN A 115 14.236 32.459 64.850 1.00 0.00 H ATOM 1096 N SER A 116 14.522 36.132 62.518 1.00 79.69 N ATOM 1097 CA SER A 116 14.847 37.546 62.586 1.00 71.15 C ATOM 1098 C SER A 116 13.713 38.354 61.943 1.00 62.75 C ATOM 1099 O SER A 116 13.396 38.177 60.771 1.00 68.55 O ATOM 1100 CB SER A 116 16.163 37.830 61.924 1.00 73.83 C ATOM 1101 OG SER A 116 15.993 38.002 60.521 1.00 78.69 O ATOM 1102 HG SER A 116 15.380 38.761 60.355 1.00 0.00 H ATOM 1103 H SER A 116 14.479 35.676 61.584 1.00 0.00 H ATOM 1104 N LEU A 117 13.110 39.214 62.741 1.00 50.47 N ATOM 1105 CA LEU A 117 11.936 39.991 62.390 1.00 43.85 C ATOM 1106 C LEU A 117 12.002 41.282 63.214 1.00 37.43 C ATOM 1107 O LEU A 117 12.216 41.229 64.405 1.00 36.72 O ATOM 1108 CB LEU A 117 10.671 39.194 62.716 1.00 43.76 C ATOM 1109 CG LEU A 117 9.363 39.961 62.527 1.00 43.37 C ATOM 1110 CD1 LEU A 117 9.063 40.125 61.046 1.00 43.40 C ATOM 1111 CD2 LEU A 117 8.206 39.259 63.225 1.00 43.77 C ATOM 1112 H LEU A 117 13.506 39.345 63.694 1.00 0.00 H ATOM 1113 N ALA A 118 11.922 42.424 62.568 1.00 33.62 N ATOM 1114 CA ALA A 118 12.018 43.703 63.245 1.00 32.28 C ATOM 1115 C ALA A 118 11.087 44.682 62.550 1.00 30.66 C ATOM 1116 O ALA A 118 10.968 44.630 61.318 1.00 32.17 O ATOM 1117 CB ALA A 118 13.440 44.216 63.237 1.00 33.32 C ATOM 1118 H ALA A 118 11.785 42.410 61.537 1.00 0.00 H ATOM 1119 N CYS A 119 10.471 45.561 63.355 1.00 29.71 N ATOM 1120 CA CYS A 119 9.449 46.499 62.887 1.00 27.57 C ATOM 1121 C CYS A 119 9.696 47.877 63.500 1.00 26.53 C ATOM 1122 O CYS A 119 10.400 48.026 64.519 1.00 24.23 O ATOM 1123 CB CYS A 119 8.028 46.083 63.256 1.00 27.57 C ATOM 1124 SG CYS A 119 7.621 44.365 62.851 1.00 29.09 S ATOM 1125 H CYS A 119 10.733 45.577 64.361 1.00 0.00 H ATOM 1126 N GLN A 120 9.163 48.886 62.817 1.00 25.09 N ATOM 1127 CA GLN A 120 9.353 50.235 63.284 1.00 25.14 C ATOM 1128 C GLN A 120 8.046 50.979 63.102 1.00 24.12 C ATOM 1129 O GLN A 120 7.273 50.689 62.183 1.00 25.70 O ATOM 1130 CB GLN A 120 10.480 50.956 62.528 1.00 25.44 C ATOM 1131 CG GLN A 120 11.864 50.371 62.778 1.00 25.51 C ATOM 1132 CD GLN A 120 12.962 51.377 62.511 1.00 26.97 C ATOM 1133 OE1 GLN A 120 12.710 52.491 62.047 1.00 25.30 O ATOM 1134 NE2 GLN A 120 14.195 51.000 62.834 1.00 26.34 N ATOM 1135 HE22 GLN A 120 14.363 50.050 63.223 1.00 0.00 H ATOM 1136 HE21 GLN A 120 14.991 51.655 62.698 1.00 0.00 H ATOM 1137 H GLN A 120 8.614 48.702 61.953 1.00 0.00 H ATOM 1138 N CYS A 121 7.856 51.922 64.010 1.00 24.78 N ATOM 1139 CA CYS A 121 6.868 52.993 63.887 1.00 23.77 C ATOM 1140 C CYS A 121 7.561 54.292 63.467 1.00 23.96 C ATOM 1141 O CYS A 121 8.237 54.933 64.298 1.00 23.02 O ATOM 1142 CB CYS A 121 6.177 53.216 65.222 1.00 24.95 C ATOM 1143 SG CYS A 121 4.796 54.373 65.081 1.00 27.33 S ATOM 1144 H CYS A 121 8.447 51.900 64.866 1.00 0.00 H ATOM 1145 N LEU A 122 7.377 54.688 62.202 1.00 25.32 N ATOM 1146 CA LEU A 122 7.880 55.967 61.679 1.00 25.41 C ATOM 1147 C LEU A 122 6.795 57.017 61.822 1.00 26.65 C ATOM 1148 O LEU A 122 5.603 56.733 61.581 1.00 27.89 O ATOM 1149 CB LEU A 122 8.243 55.843 60.198 1.00 26.51 C ATOM 1150 CG LEU A 122 9.237 54.734 59.881 1.00 27.33 C ATOM 1151 CD1 LEU A 122 9.593 54.750 58.403 1.00 28.71 C ATOM 1152 CD2 LEU A 122 10.490 54.881 60.750 1.00 26.86 C ATOM 1153 H LEU A 122 6.853 54.061 61.558 1.00 0.00 H ATOM 1154 N VAL A 123 7.226 58.225 62.143 1.00 26.37 N ATOM 1155 CA VAL A 123 6.313 59.344 62.184 1.00 28.13 C ATOM 1156 C VAL A 123 6.968 60.515 61.451 1.00 29.57 C ATOM 1157 O VAL A 123 8.191 60.525 61.281 1.00 29.26 O ATOM 1158 CB VAL A 123 5.944 59.708 63.635 1.00 29.36 C ATOM 1159 CG1 VAL A 123 5.220 58.560 64.335 1.00 29.36 C ATOM 1160 CG2 VAL A 123 7.160 60.136 64.440 1.00 28.94 C ATOM 1161 H VAL A 123 8.231 58.371 62.368 1.00 0.00 H ATOM 1162 N ARG A 124 6.151 61.484 61.050 1.00 30.99 N ATOM 1163 CA ARG A 124 6.604 62.595 60.195 1.00 34.34 C ATOM 1164 C ARG A 124 7.224 63.737 61.013 1.00 35.38 C ATOM 1165 O ARG A 124 7.992 64.509 60.449 1.00 37.51 O ATOM 1166 CB ARG A 124 5.447 63.174 59.377 1.00 35.79 C ATOM 1167 CG ARG A 124 4.959 62.288 58.243 1.00 34.62 C ATOM 1168 CD ARG A 124 6.029 62.069 57.186 1.00 34.52 C ATOM 1169 NE ARG A 124 5.436 61.812 55.887 1.00 33.79 N ATOM 1170 CZ ARG A 124 6.110 61.749 54.742 1.00 34.35 C ATOM 1171 NH1 ARG A 124 7.396 62.072 54.718 1.00 33.26 N ATOM 1172 NH2 ARG A 124 5.473 61.400 53.632 1.00 31.39 N ATOM 1173 HE ARG A 124 4.407 61.666 55.848 1.00 0.00 H ATOM 1174 HH12 ARG A 124 7.928 62.024 53.825 1.00 0.00 H ATOM 1175 HH11 ARG A 124 7.873 62.373 55.592 1.00 0.00 H ATOM 1176 HH22 ARG A 124 5.989 61.347 52.731 1.00 0.00 H ATOM 1177 HH21 ARG A 124 4.457 61.179 53.663 1.00 0.00 H ATOM 1178 H ARG A 124 5.156 61.457 61.351 1.00 0.00 H ATOM 1179 N THR A 125 6.921 63.833 62.307 1.00 35.44 N ATOM 1180 CA THR A 125 7.434 64.913 63.159 1.00 36.56 C ATOM 1181 C THR A 125 8.142 64.378 64.423 1.00 36.31 C ATOM 1182 O THR A 125 7.891 63.257 64.874 1.00 34.69 O ATOM 1183 CB THR A 125 6.278 65.815 63.598 1.00 39.02 C ATOM 1184 OG1 THR A 125 5.451 64.964 64.386 1.00 37.00 O ATOM 1185 CG2 THR A 125 5.499 66.443 62.458 1.00 39.88 C ATOM 1186 HG1 THR A 125 4.670 65.476 64.714 1.00 0.00 H ATOM 1187 H THR A 125 6.298 63.116 62.729 1.00 0.00 H ATOM 1188 N PRO A 126 8.972 65.215 65.073 1.00 36.16 N ATOM 1189 CA PRO A 126 9.702 64.789 66.277 1.00 35.50 C ATOM 1190 C PRO A 126 8.831 64.852 67.544 1.00 36.19 C ATOM 1191 O PRO A 126 9.116 65.585 68.464 1.00 38.43 O ATOM 1192 CB PRO A 126 10.908 65.733 66.346 1.00 36.64 C ATOM 1193 CG PRO A 126 10.422 66.996 65.675 1.00 38.42 C ATOM 1194 CD PRO A 126 9.488 66.498 64.586 1.00 38.63 C ATOM 1195 N GLU A 127 7.768 64.065 67.542 1.00 35.29 N ATOM 1196 CA GLU A 127 6.691 64.141 68.489 1.00 36.08 C ATOM 1197 C GLU A 127 6.243 62.715 68.828 1.00 35.59 C ATOM 1198 O GLU A 127 6.175 61.864 67.930 1.00 33.13 O ATOM 1199 CB GLU A 127 5.513 64.871 67.857 1.00 37.87 C ATOM 1200 CG GLU A 127 5.698 66.362 67.719 1.00 40.71 C ATOM 1201 CD GLU A 127 4.447 67.007 67.167 1.00 43.20 C ATOM 1202 OE1 GLU A 127 4.051 66.634 66.029 1.00 42.41 O ATOM 1203 OE2 GLU A 127 3.897 67.886 67.853 1.00 45.57 O ATOM 1204 H GLU A 127 7.708 63.338 66.801 1.00 0.00 H ATOM 1205 N VAL A 128 5.971 62.464 70.096 1.00 37.42 N ATOM 1206 CA VAL A 128 5.424 61.191 70.526 1.00 40.05 C ATOM 1207 C VAL A 128 3.945 61.143 70.131 1.00 42.68 C ATOM 1208 O VAL A 128 3.130 61.930 70.592 1.00 48.95 O ATOM 1209 CB VAL A 128 5.613 60.978 72.039 1.00 42.35 C ATOM 1210 CG1 VAL A 128 5.009 59.655 72.492 1.00 42.58 C ATOM 1211 CG2 VAL A 128 7.090 61.055 72.416 1.00 41.09 C ATOM 1212 H VAL A 128 6.154 63.201 70.807 1.00 0.00 H ATOM 1213 N ASP A 129 3.630 60.246 69.216 1.00 41.42 N ATOM 1214 CA ASP A 129 2.287 60.159 68.641 1.00 40.75 C ATOM 1215 C ASP A 129 1.684 58.871 69.196 1.00 39.97 C ATOM 1216 O ASP A 129 1.996 57.779 68.700 1.00 37.77 O ATOM 1217 CB ASP A 129 2.412 60.106 67.109 1.00 39.32 C ATOM 1218 CG ASP A 129 1.098 59.885 66.396 1.00 40.01 C ATOM 1219 OD1 ASP A 129 0.043 59.581 66.999 1.00 40.33 O ATOM 1220 OD2 ASP A 129 1.137 60.009 65.161 1.00 42.93 O ATOM 1221 H ASP A 129 4.360 59.579 68.893 1.00 0.00 H ATOM 1222 N ASP A 130 0.844 59.017 70.215 1.00 40.16 N ATOM 1223 CA ASP A 130 0.246 57.897 70.936 1.00 40.98 C ATOM 1224 C ASP A 130 -0.589 57.030 70.044 1.00 40.46 C ATOM 1225 O ASP A 130 -0.508 55.833 70.177 1.00 40.77 O ATOM 1226 CB ASP A 130 -0.661 58.365 72.062 1.00 44.02 C ATOM 1227 CG ASP A 130 0.097 59.033 73.175 1.00 47.03 C ATOM 1228 OD1 ASP A 130 1.244 58.615 73.459 1.00 44.78 O ATOM 1229 OD2 ASP A 130 -0.488 59.974 73.765 1.00 52.19 O ATOM 1230 H ASP A 130 0.599 59.982 70.516 1.00 0.00 H ATOM 1231 N GLU A 131 -1.389 57.638 69.166 1.00 41.47 N ATOM 1232 CA GLU A 131 -2.278 56.904 68.279 1.00 43.33 C ATOM 1233 C GLU A 131 -1.448 55.985 67.381 1.00 38.05 C ATOM 1234 O GLU A 131 -1.788 54.835 67.212 1.00 37.54 O ATOM 1235 CB GLU A 131 -3.155 57.828 67.426 1.00 49.34 C ATOM 1236 CG GLU A 131 -4.199 58.595 68.231 1.00 58.38 C ATOM 1237 CD GLU A 131 -5.181 59.431 67.414 1.00 66.22 C ATOM 1238 OE1 GLU A 131 -4.787 59.916 66.323 1.00 69.49 O ATOM 1239 OE2 GLU A 131 -6.347 59.606 67.867 1.00 72.59 O ATOM 1240 H GLU A 131 -1.376 58.677 69.114 1.00 0.00 H ATOM 1241 N ALA A 132 -0.354 56.487 66.837 1.00 35.51 N ATOM 1242 CA ALA A 132 0.481 55.661 65.961 1.00 32.32 C ATOM 1243 C ALA A 132 1.158 54.542 66.763 1.00 30.74 C ATOM 1244 O ALA A 132 1.314 53.444 66.234 1.00 27.81 O ATOM 1245 CB ALA A 132 1.508 56.508 65.254 1.00 31.86 C ATOM 1246 H ALA A 132 -0.084 57.472 67.031 1.00 0.00 H ATOM 1247 N LEU A 133 1.602 54.847 67.987 1.00 30.43 N ATOM 1248 CA LEU A 133 2.250 53.849 68.860 1.00 31.24 C ATOM 1249 C LEU A 133 1.230 52.778 69.247 1.00 32.11 C ATOM 1250 O LEU A 133 1.532 51.620 69.337 1.00 31.17 O ATOM 1251 CB LEU A 133 2.794 54.526 70.123 1.00 30.10 C ATOM 1252 CG LEU A 133 4.123 55.249 69.931 1.00 28.94 C ATOM 1253 CD1 LEU A 133 4.621 55.794 71.263 1.00 29.21 C ATOM 1254 CD2 LEU A 133 5.163 54.331 69.315 1.00 26.39 C ATOM 1255 H LEU A 133 1.487 55.820 68.335 1.00 0.00 H ATOM 1256 N GLU A 134 0.009 53.201 69.430 1.00 36.21 N ATOM 1257 CA GLU A 134 -1.041 52.265 69.759 1.00 41.93 C ATOM 1258 C GLU A 134 -1.264 51.296 68.583 1.00 40.54 C ATOM 1259 O GLU A 134 -1.396 50.089 68.800 1.00 39.88 O ATOM 1260 CB GLU A 134 -2.313 53.040 70.082 1.00 47.94 C ATOM 1261 CG GLU A 134 -3.276 52.262 70.943 1.00 57.85 C ATOM 1262 CD GLU A 134 -4.709 52.417 70.471 1.00 66.32 C ATOM 1263 OE1 GLU A 134 -5.285 53.528 70.658 1.00 70.80 O ATOM 1264 OE2 GLU A 134 -5.232 51.434 69.891 1.00 75.96 O ATOM 1265 H GLU A 134 -0.208 54.214 69.339 1.00 0.00 H ATOM 1266 N LYS A 135 -1.314 51.829 67.360 1.00 37.30 N ATOM 1267 CA LYS A 135 -1.461 50.991 66.182 1.00 37.76 C ATOM 1268 C LYS A 135 -0.236 50.088 66.038 1.00 34.32 C ATOM 1269 O LYS A 135 -0.381 48.911 65.743 1.00 32.53 O ATOM 1270 CB LYS A 135 -1.652 51.831 64.924 1.00 38.84 C ATOM 1271 CG LYS A 135 -3.003 52.523 64.836 1.00 42.72 C ATOM 1272 CD LYS A 135 -3.187 53.315 63.569 1.00 43.15 C ATOM 1273 CE LYS A 135 -4.646 53.635 63.334 1.00 48.07 C ATOM 1274 NZ LYS A 135 -4.810 54.450 62.109 1.00 50.31 N ATOM 1275 HZ1 LYS A 135 -4.282 55.340 62.213 1.00 0.00 H ATOM 1276 HZ2 LYS A 135 -4.444 53.922 61.291 1.00 0.00 H ATOM 1277 HZ3 LYS A 135 -5.819 54.659 61.966 1.00 0.00 H ATOM 1278 H LYS A 135 -1.247 52.861 67.249 1.00 0.00 H ATOM 1279 N PHE A 136 0.946 50.639 66.279 1.00 30.87 N ATOM 1280 CA PHE A 136 2.139 49.846 66.254 1.00 29.77 C ATOM 1281 C PHE A 136 2.016 48.653 67.213 1.00 31.66 C ATOM 1282 O PHE A 136 2.314 47.522 66.808 1.00 30.97 O ATOM 1283 CB PHE A 136 3.353 50.686 66.635 1.00 28.25 C ATOM 1284 CG PHE A 136 4.686 50.000 66.470 1.00 27.80 C ATOM 1285 CD1 PHE A 136 5.066 49.458 65.248 1.00 27.45 C ATOM 1286 CD2 PHE A 136 5.605 49.980 67.511 1.00 27.85 C ATOM 1287 CE1 PHE A 136 6.311 48.869 65.086 1.00 26.38 C ATOM 1288 CE2 PHE A 136 6.851 49.391 67.342 1.00 27.11 C ATOM 1289 CZ PHE A 136 7.199 48.836 66.134 1.00 26.84 C ATOM 1290 H PHE A 136 1.007 51.656 66.488 1.00 0.00 H ATOM 1291 N ASP A 137 1.631 48.908 68.470 1.00 31.60 N ATOM 1292 CA ASP A 137 1.573 47.859 69.461 1.00 33.30 C ATOM 1293 C ASP A 137 0.492 46.813 69.179 1.00 34.86 C ATOM 1294 O ASP A 137 0.746 45.625 69.370 1.00 33.83 O ATOM 1295 CB ASP A 137 1.384 48.442 70.866 1.00 36.31 C ATOM 1296 CG ASP A 137 2.668 49.145 71.408 1.00 35.83 C ATOM 1297 OD1 ASP A 137 3.841 48.877 71.027 1.00 36.01 O ATOM 1298 OD2 ASP A 137 2.472 49.967 72.281 1.00 38.33 O ATOM 1299 H ASP A 137 1.369 49.878 68.737 1.00 0.00 H ATOM 1300 N LYS A 138 -0.685 47.248 68.719 1.00 34.32 N ATOM 1301 CA LYS A 138 -1.708 46.361 68.179 1.00 38.48 C ATOM 1302 C LYS A 138 -1.139 45.463 67.065 1.00 36.73 C ATOM 1303 O LYS A 138 -1.441 44.291 66.998 1.00 34.34 O ATOM 1304 CB LYS A 138 -2.864 47.147 67.545 1.00 43.12 C ATOM 1305 CG LYS A 138 -4.195 47.138 68.290 1.00 50.86 C ATOM 1306 CD LYS A 138 -4.200 47.860 69.635 1.00 56.15 C ATOM 1307 CE LYS A 138 -5.583 48.020 70.245 1.00 61.36 C ATOM 1308 NZ LYS A 138 -6.453 48.902 69.422 1.00 64.63 N ATOM 1309 HZ1 LYS A 138 -6.018 49.844 69.347 1.00 0.00 H ATOM 1310 HZ2 LYS A 138 -6.561 48.492 68.472 1.00 0.00 H ATOM 1311 HZ3 LYS A 138 -7.386 48.985 69.873 1.00 0.00 H ATOM 1312 H LYS A 138 -0.881 48.269 68.748 1.00 0.00 H ATOM 1313 N ALA A 139 -0.366 46.048 66.151 1.00 36.14 N ATOM 1314 CA ALA A 139 0.129 45.345 64.972 1.00 35.39 C ATOM 1315 C ALA A 139 1.032 44.197 65.407 1.00 35.05 C ATOM 1316 O ALA A 139 1.091 43.188 64.726 1.00 35.74 O ATOM 1317 CB ALA A 139 0.877 46.284 64.064 1.00 33.57 C ATOM 1318 H ALA A 139 -0.105 47.046 66.283 1.00 0.00 H ATOM 1319 N LEU A 140 1.653 44.364 66.566 1.00 35.53 N ATOM 1320 CA LEU A 140 2.732 43.497 67.044 1.00 37.83 C ATOM 1321 C LEU A 140 2.243 42.520 68.121 1.00 37.81 C ATOM 1322 O LEU A 140 3.017 41.635 68.551 1.00 37.46 O ATOM 1323 CB LEU A 140 3.836 44.393 67.624 1.00 37.95 C ATOM 1324 CG LEU A 140 4.939 44.827 66.655 1.00 39.24 C ATOM 1325 CD1 LEU A 140 4.391 45.223 65.285 1.00 40.72 C ATOM 1326 CD2 LEU A 140 5.742 45.966 67.259 1.00 38.77 C ATOM 1327 H LEU A 140 1.357 45.157 67.171 1.00 0.00 H ATOM 1328 N LYS A 141 1.022 42.685 68.611 1.00 38.57 N ATOM 1329 CA LYS A 141 0.646 41.943 69.821 1.00 40.97 C ATOM 1330 C LYS A 141 0.793 40.442 69.550 1.00 42.81 C ATOM 1331 O LYS A 141 1.262 39.731 70.421 1.00 45.08 O ATOM 1332 CB LYS A 141 -0.756 42.301 70.332 1.00 42.03 C ATOM 1333 CG LYS A 141 -0.981 42.022 71.819 1.00 43.83 C ATOM 1334 CD LYS A 141 -2.282 42.578 72.361 1.00 45.13 C ATOM 1335 CE LYS A 141 -2.625 42.054 73.738 1.00 47.62 C ATOM 1336 NZ LYS A 141 -2.634 40.571 73.766 1.00 49.51 N ATOM 1337 HZ1 LYS A 141 -3.342 40.217 73.092 1.00 0.00 H ATOM 1338 HZ2 LYS A 141 -1.693 40.215 73.502 1.00 0.00 H ATOM 1339 HZ3 LYS A 141 -2.873 40.245 74.724 1.00 0.00 H ATOM 1340 H LYS A 141 0.346 43.326 68.149 1.00 0.00 H ATOM 1341 N ALA A 142 0.479 39.985 68.332 1.00 42.93 N ATOM 1342 CA ALA A 142 0.552 38.549 68.013 1.00 46.93 C ATOM 1343 C ALA A 142 1.887 38.165 67.349 1.00 46.42 C ATOM 1344 O ALA A 142 2.051 37.005 66.976 1.00 52.19 O ATOM 1345 CB ALA A 142 -0.618 38.150 67.135 1.00 48.02 C ATOM 1346 H ALA A 142 0.178 40.656 67.597 1.00 0.00 H ATOM 1347 N LEU A 143 2.818 39.098 67.186 1.00 42.89 N ATOM 1348 CA LEU A 143 4.154 38.789 66.688 1.00 40.89 C ATOM 1349 C LEU A 143 5.080 38.453 67.861 1.00 40.81 C ATOM 1350 O LEU A 143 4.888 38.925 68.979 1.00 42.01 O ATOM 1351 CB LEU A 143 4.700 39.991 65.911 1.00 37.13 C ATOM 1352 CG LEU A 143 3.856 40.480 64.739 1.00 36.83 C ATOM 1353 CD1 LEU A 143 4.575 41.596 63.980 1.00 34.58 C ATOM 1354 CD2 LEU A 143 3.501 39.338 63.798 1.00 38.77 C ATOM 1355 H LEU A 143 2.586 40.084 67.422 1.00 0.00 H ATOM 1356 N PRO A 144 6.132 37.673 67.597 1.00 42.65 N ATOM 1357 CA PRO A 144 6.951 37.196 68.742 1.00 42.92 C ATOM 1358 C PRO A 144 8.142 38.132 69.054 1.00 40.27 C ATOM 1359 O PRO A 144 9.300 37.756 68.962 1.00 40.69 O ATOM 1360 CB PRO A 144 7.337 35.770 68.311 1.00 44.82 C ATOM 1361 CG PRO A 144 7.460 35.861 66.790 1.00 45.84 C ATOM 1362 CD PRO A 144 6.515 36.972 66.348 1.00 43.61 C ATOM 1363 N MET A 145 7.855 39.355 69.472 1.00 37.42 N ATOM 1364 CA MET A 145 8.903 40.308 69.744 1.00 35.76 C ATOM 1365 C MET A 145 9.458 40.081 71.157 1.00 36.84 C ATOM 1366 O MET A 145 8.733 39.605 72.026 1.00 36.84 O ATOM 1367 CB MET A 145 8.353 41.722 69.627 1.00 34.95 C ATOM 1368 CG MET A 145 7.739 42.015 68.259 1.00 36.09 C ATOM 1369 SD MET A 145 8.882 41.598 66.908 1.00 37.60 S ATOM 1370 CE MET A 145 8.501 42.903 65.743 1.00 39.02 C ATOM 1371 H MET A 145 6.862 39.632 69.606 1.00 0.00 H ATOM 1372 N HIS A 146 10.749 40.348 71.359 1.00 35.15 N ATOM 1373 CA HIS A 146 11.345 40.239 72.709 1.00 36.51 C ATOM 1374 C HIS A 146 12.124 41.497 73.086 1.00 33.47 C ATOM 1375 O HIS A 146 12.684 41.536 74.139 1.00 34.03 O ATOM 1376 CB HIS A 146 12.261 39.019 72.830 1.00 39.35 C ATOM 1377 CG HIS A 146 11.512 37.748 72.711 1.00 41.65 C ATOM 1378 ND1 HIS A 146 11.269 37.152 71.494 1.00 43.37 N ATOM 1379 CD2 HIS A 146 10.878 37.009 73.637 1.00 44.46 C ATOM 1380 CE1 HIS A 146 10.571 36.051 71.676 1.00 46.09 C ATOM 1381 NE2 HIS A 146 10.347 35.922 72.993 1.00 47.79 N ATOM 1382 H HIS A 146 11.345 40.637 70.557 1.00 0.00 H ATOM 1383 N ILE A 147 12.125 42.507 72.236 1.00 32.16 N ATOM 1384 CA ILE A 147 12.709 43.802 72.569 1.00 31.51 C ATOM 1385 C ILE A 147 11.900 44.880 71.857 1.00 29.84 C ATOM 1386 O ILE A 147 11.543 44.718 70.726 1.00 30.21 O ATOM 1387 CB ILE A 147 14.201 43.862 72.190 1.00 31.66 C ATOM 1388 CG1 ILE A 147 14.839 45.215 72.529 1.00 29.86 C ATOM 1389 CG2 ILE A 147 14.402 43.497 70.722 1.00 31.79 C ATOM 1390 CD1 ILE A 147 16.337 45.147 72.835 1.00 30.82 C ATOM 1391 H ILE A 147 11.695 42.375 71.298 1.00 0.00 H ATOM 1392 N ARG A 148 11.615 45.953 72.565 1.00 32.25 N ATOM 1393 CA ARG A 148 10.914 47.107 72.077 1.00 31.97 C ATOM 1394 C ARG A 148 11.598 48.346 72.669 1.00 30.75 C ATOM 1395 O ARG A 148 11.871 48.395 73.891 1.00 28.61 O ATOM 1396 CB ARG A 148 9.432 47.027 72.457 1.00 36.79 C ATOM 1397 CG ARG A 148 8.541 47.983 71.670 1.00 43.04 C ATOM 1398 CD ARG A 148 7.251 48.364 72.393 1.00 47.82 C ATOM 1399 NE ARG A 148 6.461 49.425 71.760 1.00 49.59 N ATOM 1400 CZ ARG A 148 6.358 50.678 72.224 1.00 51.12 C ATOM 1401 NH1 ARG A 148 7.213 51.134 73.135 1.00 48.00 N ATOM 1402 NH2 ARG A 148 5.383 51.462 71.782 1.00 50.37 N ATOM 1403 HE ARG A 148 5.944 49.188 70.889 1.00 0.00 H ATOM 1404 HH12 ARG A 148 7.125 52.108 73.489 1.00 0.00 H ATOM 1405 HH11 ARG A 148 7.969 50.517 73.493 1.00 0.00 H ATOM 1406 HH22 ARG A 148 5.297 52.436 72.138 1.00 0.00 H ATOM 1407 HH21 ARG A 148 4.705 51.103 71.080 1.00 0.00 H ATOM 1408 H ARG A 148 11.923 45.966 73.558 1.00 0.00 H ATOM 1409 N LEU A 149 11.907 49.301 71.781 1.00 27.82 N ATOM 1410 CA LEU A 149 12.518 50.563 72.140 1.00 28.57 C ATOM 1411 C LEU A 149 11.592 51.692 71.684 1.00 27.85 C ATOM 1412 O LEU A 149 10.911 51.531 70.684 1.00 27.46 O ATOM 1413 CB LEU A 149 13.891 50.724 71.469 1.00 28.17 C ATOM 1414 CG LEU A 149 14.892 49.591 71.628 1.00 29.67 C ATOM 1415 CD1 LEU A 149 16.114 49.869 70.778 1.00 31.59 C ATOM 1416 CD2 LEU A 149 15.315 49.412 73.078 1.00 30.85 C ATOM 1417 H LEU A 149 11.696 49.125 70.778 1.00 0.00 H ATOM 1418 N SER A 150 11.605 52.822 72.393 1.00 28.03 N ATOM 1419 CA SER A 150 10.980 54.049 71.892 1.00 29.90 C ATOM 1420 C SER A 150 11.838 55.244 72.311 1.00 29.63 C ATOM 1421 O SER A 150 12.700 55.143 73.174 1.00 27.93 O ATOM 1422 CB SER A 150 9.560 54.232 72.359 1.00 30.08 C ATOM 1423 OG SER A 150 9.535 54.177 73.774 1.00 35.04 O ATOM 1424 HG SER A 150 8.605 54.296 74.091 1.00 0.00 H ATOM 1425 H SER A 150 12.070 52.832 73.323 1.00 0.00 H ATOM 1426 N PHE A 151 11.615 56.356 71.609 1.00 30.41 N ATOM 1427 CA PHE A 151 12.525 57.512 71.703 1.00 29.45 C ATOM 1428 C PHE A 151 11.724 58.776 71.980 1.00 28.94 C ATOM 1429 O PHE A 151 10.578 58.929 71.581 1.00 30.29 O ATOM 1430 CB PHE A 151 13.374 57.646 70.437 1.00 29.34 C ATOM 1431 CG PHE A 151 14.228 56.441 70.157 1.00 28.47 C ATOM 1432 CD1 PHE A 151 15.493 56.324 70.703 1.00 30.11 C ATOM 1433 CD2 PHE A 151 13.762 55.425 69.338 1.00 28.77 C ATOM 1434 CE1 PHE A 151 16.278 55.209 70.439 1.00 30.20 C ATOM 1435 CE2 PHE A 151 14.541 54.312 69.072 1.00 28.12 C ATOM 1436 CZ PHE A 151 15.787 54.198 69.647 1.00 30.16 C ATOM 1437 H PHE A 151 10.785 56.408 70.985 1.00 0.00 H ATOM 1438 N ASN A 152 12.344 59.649 72.740 1.00 29.92 N ATOM 1439 CA ASN A 152 11.692 60.852 73.157 1.00 29.73 C ATOM 1440 C ASN A 152 12.011 61.940 72.127 1.00 30.58 C ATOM 1441 O ASN A 152 12.925 61.768 71.330 1.00 28.85 O ATOM 1442 CB ASN A 152 12.103 61.178 74.593 1.00 31.22 C ATOM 1443 CG ASN A 152 13.536 61.642 74.740 1.00 32.36 C ATOM 1444 OD1 ASN A 152 13.982 62.500 73.986 1.00 31.72 O ATOM 1445 ND2 ASN A 152 14.222 61.166 75.770 1.00 32.14 N ATOM 1446 HD22 ASN A 152 13.802 60.438 76.383 1.00 0.00 H ATOM 1447 HD21 ASN A 152 15.180 61.521 75.965 1.00 0.00 H ATOM 1448 H ASN A 152 13.322 59.463 73.043 1.00 0.00 H ATOM 1449 N PRO A 153 11.255 63.045 72.137 1.00 32.64 N ATOM 1450 CA PRO A 153 11.428 64.076 71.106 1.00 34.14 C ATOM 1451 C PRO A 153 12.861 64.641 71.085 1.00 35.65 C ATOM 1452 O PRO A 153 13.353 65.001 70.020 1.00 36.86 O ATOM 1453 CB PRO A 153 10.424 65.186 71.456 1.00 35.40 C ATOM 1454 CG PRO A 153 9.380 64.462 72.273 1.00 35.44 C ATOM 1455 CD PRO A 153 10.156 63.411 73.050 1.00 33.44 C ATOM 1456 N THR A 154 13.513 64.739 72.233 1.00 36.93 N ATOM 1457 CA THR A 154 14.881 65.245 72.270 1.00 39.04 C ATOM 1458 C THR A 154 15.791 64.326 71.442 1.00 37.69 C ATOM 1459 O THR A 154 16.564 64.811 70.609 1.00 39.10 O ATOM 1460 CB THR A 154 15.376 65.424 73.711 1.00 41.50 C ATOM 1461 OG1 THR A 154 14.459 66.303 74.361 1.00 42.64 O ATOM 1462 CG2 THR A 154 16.780 65.994 73.807 1.00 44.09 C ATOM 1463 HG1 THR A 154 13.554 65.902 74.349 1.00 0.00 H ATOM 1464 H THR A 154 13.046 64.453 73.117 1.00 0.00 H ATOM 1465 N GLN A 155 15.670 63.019 71.654 1.00 36.23 N ATOM 1466 CA GLN A 155 16.528 62.007 71.000 1.00 35.54 C ATOM 1467 C GLN A 155 16.288 62.030 69.483 1.00 33.49 C ATOM 1468 O GLN A 155 17.232 61.892 68.728 1.00 33.09 O ATOM 1469 CB GLN A 155 16.282 60.607 71.575 1.00 34.30 C ATOM 1470 CG GLN A 155 16.793 60.431 72.996 1.00 37.27 C ATOM 1471 CD GLN A 155 16.162 59.278 73.751 1.00 38.38 C ATOM 1472 OE1 GLN A 155 15.050 58.815 73.483 1.00 37.38 O ATOM 1473 NE2 GLN A 155 16.873 58.808 74.758 1.00 41.20 N ATOM 1474 HE22 GLN A 155 17.808 59.212 74.968 1.00 0.00 H ATOM 1475 HE21 GLN A 155 16.498 58.034 75.342 1.00 0.00 H ATOM 1476 H GLN A 155 14.935 62.692 72.313 1.00 0.00 H ATOM 1477 N LEU A 156 15.033 62.243 69.079 1.00 31.70 N ATOM 1478 CA LEU A 156 14.615 62.204 67.684 1.00 32.46 C ATOM 1479 C LEU A 156 15.317 63.287 66.856 1.00 33.37 C ATOM 1480 O LEU A 156 15.530 63.097 65.650 1.00 32.92 O ATOM 1481 CB LEU A 156 13.093 62.366 67.609 1.00 32.77 C ATOM 1482 CG LEU A 156 12.265 61.188 68.123 1.00 31.80 C ATOM 1483 CD1 LEU A 156 10.787 61.507 68.031 1.00 32.84 C ATOM 1484 CD2 LEU A 156 12.583 59.913 67.366 1.00 31.23 C ATOM 1485 H LEU A 156 14.313 62.448 69.801 1.00 0.00 H ATOM 1486 N GLU A 157 15.694 64.384 67.510 1.00 34.66 N ATOM 1487 CA GLU A 157 16.349 65.506 66.836 1.00 37.78 C ATOM 1488 C GLU A 157 17.871 65.302 66.815 1.00 38.76 C ATOM 1489 O GLU A 157 18.553 66.054 66.123 1.00 40.81 O ATOM 1490 CB GLU A 157 15.951 66.848 67.470 1.00 38.76 C ATOM 1491 CG GLU A 157 14.609 67.354 66.947 1.00 39.60 C ATOM 1492 CD GLU A 157 14.650 67.742 65.477 1.00 39.90 C ATOM 1493 OE1 GLU A 157 15.292 68.766 65.137 1.00 42.46 O ATOM 1494 OE2 GLU A 157 14.134 66.978 64.669 1.00 40.45 O ATOM 1495 H GLU A 157 15.517 64.446 68.533 1.00 0.00 H ATOM 1496 N GLU A 158 18.366 64.266 67.487 1.00 37.85 N ATOM 1497 CA GLU A 158 19.788 64.021 67.642 1.00 41.05 C ATOM 1498 C GLU A 158 20.185 62.868 66.731 1.00 41.11 C ATOM 1499 O GLU A 158 19.402 61.931 66.583 1.00 40.25 O ATOM 1500 CB GLU A 158 20.118 63.574 69.063 1.00 42.26 C ATOM 1501 CG GLU A 158 19.802 64.610 70.114 1.00 45.64 C ATOM 1502 CD GLU A 158 20.727 65.817 70.031 1.00 51.93 C ATOM 1503 OE1 GLU A 158 21.968 65.623 69.933 1.00 52.11 O ATOM 1504 OE2 GLU A 158 20.190 66.944 69.991 1.00 57.32 O ATOM 1505 H GLU A 158 17.700 63.597 67.924 1.00 0.00 H ATOM 1506 N GLN A 159 21.399 62.878 66.212 1.00 44.69 N ATOM 1507 CA GLN A 159 21.775 61.811 65.281 1.00 47.57 C ATOM 1508 C GLN A 159 21.989 60.529 66.086 1.00 45.36 C ATOM 1509 O GLN A 159 22.471 60.581 67.206 1.00 47.16 O ATOM 1510 CB GLN A 159 23.044 62.140 64.504 1.00 52.78 C ATOM 1511 CG GLN A 159 22.998 63.509 63.850 1.00 57.21 C ATOM 1512 CD GLN A 159 23.794 63.523 62.573 1.00 61.40 C ATOM 1513 OE1 GLN A 159 23.514 62.759 61.647 1.00 65.07 O ATOM 1514 NE2 GLN A 159 24.795 64.388 62.527 1.00 64.57 N ATOM 1515 HE22 GLN A 159 24.984 65.008 63.340 1.00 0.00 H ATOM 1516 HE21 GLN A 159 25.392 64.447 61.678 1.00 0.00 H ATOM 1517 H GLN A 159 22.075 63.629 66.459 1.00 0.00 H ATOM 1518 N CYS A 160 21.611 59.420 65.476 1.00 42.51 N ATOM 1519 CA CYS A 160 21.518 58.127 66.119 1.00 42.03 C ATOM 1520 C CYS A 160 20.780 58.195 67.467 1.00 40.17 C ATOM 1521 O CYS A 160 21.010 57.367 68.326 1.00 39.98 O ATOM 1522 CB CYS A 160 22.904 57.513 66.268 1.00 44.07 C ATOM 1523 SG CYS A 160 23.588 56.970 64.680 1.00 44.05 S ATOM 1524 H CYS A 160 21.364 59.480 64.468 1.00 0.00 H ATOM 1525 N HIS A 161 19.878 59.153 67.638 1.00 40.12 N ATOM 1526 CA HIS A 161 18.979 59.222 68.809 1.00 39.67 C ATOM 1527 C HIS A 161 19.765 59.172 70.130 1.00 42.53 C ATOM 1528 O HIS A 161 19.261 58.664 71.118 1.00 42.63 O ATOM 1529 CB HIS A 161 17.913 58.119 68.716 1.00 36.69 C ATOM 1530 CG HIS A 161 16.969 58.241 67.567 1.00 35.21 C ATOM 1531 ND1 HIS A 161 15.761 57.551 67.532 1.00 33.84 N ATOM 1532 CD2 HIS A 161 17.033 58.947 66.412 1.00 34.66 C ATOM 1533 CE1 HIS A 161 15.124 57.851 66.412 1.00 32.72 C ATOM 1534 NE2 HIS A 161 15.889 58.689 65.705 1.00 33.23 N ATOM 1535 H HIS A 161 19.800 59.893 66.911 1.00 0.00 H ATOM 1536 N ILE A 162 20.973 59.734 70.167 1.00 46.79 N ATOM 1537 CA ILE A 162 21.825 59.750 71.386 1.00 49.92 C ATOM 1538 C ILE A 162 21.202 60.637 72.480 1.00 50.72 C ATOM 1539 O ILE A 162 20.730 61.738 72.222 1.00 49.05 O ATOM 1540 CB ILE A 162 23.274 60.187 71.061 1.00 53.31 C ATOM 1541 CG1 ILE A 162 23.349 61.564 70.391 1.00 55.62 C ATOM 1542 CG2 ILE A 162 23.986 59.129 70.222 1.00 53.15 C ATOM 1543 CD1 ILE A 162 23.779 62.695 71.294 1.00 59.04 C ATOM 1544 OXT ILE A 162 21.171 60.293 73.695 1.00 52.56 O ATOM 1545 H ILE A 162 21.337 60.183 69.302 1.00 0.00 H TER 1546 ILE A 162 HETATM 1547 O HOH 1 17.620 60.942 60.629 1.00 33.03 O HETATM 1548 O HOH 2 -0.382 47.623 48.737 1.00 46.94 O HETATM 1549 O HOH 3 22.894 51.968 65.013 1.00 41.02 O HETATM 1550 O HOH 4 22.700 54.083 68.389 1.00 29.43 O HETATM 1551 O HOH 5 0.676 51.627 72.941 1.00 23.09 O HETATM 1552 O HOH 6 1.863 37.002 61.864 1.00 37.31 O HETATM 1553 O HOH 7 -1.855 46.652 60.281 1.00 14.34 O HETATM 1554 O HOH 8 35.605 49.598 66.492 1.00 31.14 O HETATM 1555 O HOH 9 -3.280 54.860 49.592 1.00 30.17 O HETATM 1556 O HOH 10 -3.806 59.967 54.517 1.00 46.03 O HETATM 1557 O HOH 11 2.237 44.589 71.206 1.00 37.96 O HETATM 1558 O HOH 12 2.838 51.724 45.272 1.00 17.74 O HETATM 1559 O HOH 13 14.424 56.631 74.735 1.00 26.83 O HETATM 1560 O HOH 14 17.621 67.188 70.510 1.00 40.76 O HETATM 1561 O HOH 15 18.171 48.907 42.125 1.00 59.09 O HETATM 1562 O HOH 16 21.554 42.218 75.824 1.00 18.00 O HETATM 1563 O HOH 17 9.513 67.988 69.472 1.00 58.30 O HETATM 1564 O HOH 18 -2.920 49.362 61.436 1.00 36.95 O HETATM 1565 O HOH 19 -4.871 51.036 67.299 1.00 52.50 O HETATM 1566 O HOH 20 4.626 41.882 70.653 1.00 36.65 O HETATM 1567 O HOH 21 12.354 64.945 75.295 1.00 36.51 O HETATM 1568 O HOH 22 15.438 60.889 64.131 1.00 47.86 O HETATM 1569 O HOH 23 16.739 70.496 66.593 1.00 33.46 O HETATM 1570 O HOH 24 2.568 61.934 63.890 1.00 39.67 O HETATM 1571 O HOH 25 22.605 58.149 74.543 1.00 52.69 O HETATM 1572 O HOH 26 14.865 58.059 63.004 1.00 22.82 O HETATM 1573 O HOH 27 13.370 47.312 40.250 1.00 48.22 O HETATM 1574 O HOH 28 4.733 62.519 65.375 1.00 33.21 O HETATM 1575 O HOH 29 18.694 64.096 51.132 1.00 45.64 O HETATM 1576 O HOH 30 9.609 50.499 74.404 1.00 32.98 O HETATM 1577 O HOH 31 8.100 65.251 57.710 1.00 22.08 O HETATM 1578 O HOH 32 -2.448 48.252 63.969 1.00 39.01 O HETATM 1579 O HOH 33 6.714 46.641 45.511 1.00 30.77 O HETATM 1580 O HOH 34 -3.115 45.853 63.680 1.00 16.82 O HETATM 1581 O HOH 35 3.188 64.696 71.311 1.00 45.78 O HETATM 1582 O HOH 36 5.903 64.666 71.941 1.00 32.71 O HETATM 1583 O HOH 37 6.438 40.275 46.864 1.00 34.78 O HETATM 1584 O HOH 38 20.427 65.764 63.936 1.00 47.54 O HETATM 1585 O HOH 39 15.273 58.422 44.574 1.00 38.65 O HETATM 1586 O HOH 40 -1.391 59.101 64.017 1.00 40.45 O HETATM 1587 O HOH 41 4.164 70.712 67.151 1.00 37.40 O HETATM 1588 O HOH 42 6.282 50.472 43.796 1.00 48.87 O HETATM 1589 O HOH 43 4.987 46.191 71.319 1.00 46.59 O HETATM 1590 O HOH 44 10.844 35.267 68.546 1.00 45.38 O HETATM 1591 O HOH 45 5.421 53.384 74.055 1.00 44.18 O HETATM 1592 O HOH 46 22.871 65.362 66.984 1.00 48.33 O HETATM 1593 O HOH 47 17.890 61.708 63.963 1.00 47.10 O HETATM 1594 O HOH 48 8.063 40.071 42.605 1.00 46.47 O HETATM 1595 O HOH 49 20.701 43.430 43.053 1.00 48.84 O HETATM 1596 O HOH 50 0.319 39.878 61.379 1.00 16.67 O HETATM 1597 O HOH 51 12.179 67.752 69.435 1.00 41.28 O HETATM 1598 O HOH 52 1.056 39.119 54.308 1.00 56.99 O HETATM 1599 O HOH 53 14.759 47.689 62.188 1.00 23.11 O HETATM 1600 O HOH 54 16.878 62.734 75.981 1.00 42.18 O HETATM 1601 O HOH 55 15.927 37.448 72.482 1.00 34.33 O HETATM 1602 O HOH 56 15.940 35.425 70.841 1.00 20.54 O HETATM 1603 O HOH 57 18.803 56.426 76.067 1.00 51.28 O HETATM 1604 O HOH 58 -1.514 37.595 72.700 1.00 57.57 O HETATM 1605 O HOH 59 8.089 41.361 57.104 1.00 13.36 O HETATM 1606 O HOH 60 -1.857 46.359 71.915 1.00 52.11 O HETATM 1607 O HOH 61 2.686 61.938 74.125 1.00 50.11 O HETATM 1608 O HOH 62 12.052 61.286 46.018 1.00 52.49 O HETATM 1609 O HOH 63 3.594 32.592 58.693 1.00 48.27 O HETATM 1610 O HOH 64 -5.185 61.612 61.911 1.00 40.73 O HETATM 1611 O HOH 65 8.561 42.261 40.088 1.00 58.74 O HETATM 1612 O HOH 66 -2.668 38.565 70.144 1.00 53.53 O HETATM 1613 O HOH 67 18.047 66.484 51.177 1.00 41.80 O HETATM 1614 O HOH 68 19.397 63.581 62.639 1.00 39.88 O HETATM 1615 O HOH 69 14.436 59.145 41.799 1.00 53.85 O HETATM 1616 O HOH 70 -0.584 62.438 51.112 1.00 44.94 O HETATM 1617 O HOH 71 11.136 28.034 60.407 1.00 57.95 O HETATM 1618 O HOH 72 -8.677 43.201 67.171 1.00 50.68 O HETATM 1619 O HOH 73 13.448 42.269 39.231 1.00 56.66 O HETATM 1620 O HOH 74 -1.912 68.778 63.784 1.00 66.89 O HETATM 1621 C4 EW A 8 23.461 49.081 57.049 1.00 -0.05 C HETATM 1622 C5 EW A 8 22.470 47.912 56.995 1.00 -0.05 C HETATM 1623 C6 EW A 8 21.328 48.073 58.001 1.00 -0.05 C HETATM 1624 C7 EW A 8 20.285 46.956 57.869 1.00 -0.05 C HETATM 1625 C8 EW A 8 19.408 47.122 56.614 1.00 -0.05 C HETATM 1626 C9 EW A 8 17.893 47.116 56.924 1.00 -0.05 C HETATM 1627 C10 EW A 8 17.267 48.543 56.984 1.00 -0.05 C HETATM 1628 C11 EW A 8 15.819 48.556 56.455 1.00 -0.05 C HETATM 1629 C12 EW A 8 15.131 49.943 56.519 1.00 -0.05 C HETATM 1630 C13 EW A 8 13.703 49.839 56.029 1.00 -0.05 C HETATM 1631 C14 EW A 8 13.096 51.138 55.537 1.00 -0.05 C HETATM 1632 C15 EW A 8 11.733 51.377 56.076 1.00 -0.05 C HETATM 1633 C16 EW A 8 10.836 52.188 55.172 1.00 -0.05 C HETATM 1634 C17 EW A 8 10.256 51.369 54.048 1.00 -0.05 C HETATM 1635 C18 EW A 8 8.888 51.891 53.659 1.00 -0.06 C HETATM 1636 C19 EW A 8 8.501 51.466 52.247 1.00 -0.07 C HETATM 1637 H35 EW A 8 7.505 51.864 52.004 1.00 0.02 H HETATM 1638 H36 EW A 8 8.482 50.368 52.187 1.00 0.02 H HETATM 1639 H37 EW A 8 9.237 51.859 51.531 1.00 0.02 H HETATM 1640 H33 EW A 8 8.898 52.990 53.710 1.00 0.03 H HETATM 1641 H34 EW A 8 8.143 51.498 54.366 1.00 0.03 H HETATM 1642 H17 EW A 8 10.164 50.322 54.373 1.00 0.03 H HETATM 1643 H18 EW A 8 10.925 51.425 53.177 1.00 0.03 H HETATM 1644 H31 EW A 8 11.422 53.013 54.741 1.00 0.03 H HETATM 1645 H32 EW A 8 10.010 52.599 55.771 1.00 0.03 H HETATM 1646 H15 EW A 8 11.831 51.911 57.032 1.00 0.03 H HETATM 1647 H16 EW A 8 11.255 50.401 56.248 1.00 0.03 H HETATM 1648 H29 EW A 8 13.039 51.106 54.439 1.00 0.03 H HETATM 1649 H30 EW A 8 13.747 51.969 55.846 1.00 0.03 H HETATM 1650 H13 EW A 8 13.084 49.467 56.859 1.00 0.03 H HETATM 1651 H14 EW A 8 13.679 49.116 55.200 1.00 0.03 H HETATM 1652 H27 EW A 8 15.134 50.303 57.559 1.00 0.03 H HETATM 1653 H28 EW A 8 15.683 50.652 55.884 1.00 0.03 H HETATM 1654 H25 EW A 8 15.226 47.849 57.054 1.00 0.03 H HETATM 1655 H26 EW A 8 15.832 48.226 55.406 1.00 0.03 H HETATM 1656 H11 EW A 8 17.876 49.225 56.372 1.00 0.03 H HETATM 1657 H12 EW A 8 17.267 48.888 58.028 1.00 0.03 H HETATM 1658 H23 EW A 8 17.738 46.626 57.897 1.00 0.03 H HETATM 1659 H24 EW A 8 17.379 46.542 56.139 1.00 0.03 H HETATM 1660 H9 EW A 8 19.627 46.295 55.923 1.00 0.03 H HETATM 1661 H10 EW A 8 19.663 48.078 56.134 1.00 0.03 H HETATM 1662 H7 EW A 8 19.637 46.970 58.758 1.00 0.03 H HETATM 1663 H8 EW A 8 20.807 45.989 57.811 1.00 0.03 H HETATM 1664 H5 EW A 8 20.835 49.041 57.828 1.00 0.03 H HETATM 1665 H6 EW A 8 21.745 48.051 59.019 1.00 0.03 H HETATM 1666 H3 EW A 8 23.010 46.980 57.218 1.00 0.03 H HETATM 1667 H4 EW A 8 22.044 47.855 55.982 1.00 0.03 H HETATM 1668 C3 EW A 8 23.775 49.624 55.653 1.00 -0.04 C HETATM 1669 C2 EW A 8 25.120 49.112 55.127 1.00 0.00 C HETATM 1670 C1 EW A 8 25.568 49.965 53.887 1.00 0.03 C HETATM 1671 O1 EW A 8 24.814 49.947 52.882 1.00 -0.57 O HETATM 1672 O2 EW A 8 26.632 50.613 53.989 1.00 -0.57 O HETATM 1673 H19 EW A 8 25.878 49.196 55.920 1.00 0.04 H HETATM 1674 H20 EW A 8 25.017 48.059 54.827 1.00 0.04 H HETATM 1675 H21 EW A 8 23.806 50.723 55.698 1.00 0.03 H HETATM 1676 H22 EW A 8 22.980 49.308 54.962 1.00 0.03 H HETATM 1677 H1 EW A 8 24.395 48.735 57.515 1.00 0.03 H HETATM 1678 H2 EW A 8 23.026 49.889 57.656 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 613 612 1523 CONECT 1011 1010 1124 CONECT 1124 1011 1123 CONECT 1523 613 1522 CONECT 1621 1622 1668 1677 1678 CONECT 1622 1621 1623 1666 1667 CONECT 1623 1622 1624 1664 1665 CONECT 1624 1623 1625 1662 1663 CONECT 1625 1624 1626 1660 1661 CONECT 1626 1625 1627 1658 1659 CONECT 1627 1626 1628 1656 1657 CONECT 1628 1627 1629 1654 1655 CONECT 1629 1628 1630 1652 1653 CONECT 1630 1629 1631 1650 1651 CONECT 1631 1630 1632 1648 1649 CONECT 1632 1631 1633 1646 1647 CONECT 1633 1632 1634 1644 1645 CONECT 1634 1633 1635 1642 1643 CONECT 1635 1634 1636 1640 1641 CONECT 1636 1635 1637 1638 1639 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1636 CONECT 1640 1635 CONECT 1641 1635 CONECT 1642 1634 CONECT 1643 1634 CONECT 1644 1633 CONECT 1645 1633 CONECT 1646 1632 CONECT 1647 1632 CONECT 1648 1631 CONECT 1649 1631 CONECT 1650 1630 CONECT 1651 1630 CONECT 1652 1629 CONECT 1653 1629 CONECT 1654 1628 CONECT 1655 1628 CONECT 1656 1627 CONECT 1657 1627 CONECT 1658 1626 CONECT 1659 1626 CONECT 1660 1625 CONECT 1661 1625 CONECT 1662 1624 CONECT 1663 1624 CONECT 1664 1623 CONECT 1665 1623 CONECT 1666 1622 CONECT 1667 1622 CONECT 1668 1621 1669 1675 1676 CONECT 1669 1668 1670 1673 1674 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1669 CONECT 1674 1669 CONECT 1675 1668 CONECT 1676 1668 CONECT 1677 1621 CONECT 1678 1621 MASTER 0 0 0 0 0 0 0 0 1677 1 66 13 END
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Related entries of code: 6ge7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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162aa, >1GX8_1|Chain... *
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PDBbind
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PDBbind
162aa, >3UEV_1|Chain... at 100%
3uew
RCSB PDB
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162aa, >3UEW_1|Chain... at 100%
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RCSB PDB
PDBbind
162aa, >3UEX_1|Chain... at 100%
4gny
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PDBbind
162aa, >4GNY_1|Chain... at 100%
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PDBbind
162aa, >4KII_1|Chain... at 98%
6gf9
RCSB PDB
PDBbind
162aa, >6GF9_1|Chain... at 100%
6gfs
RCSB PDB
PDBbind
162aa, >6GFS_1|Chain... at 100%
6ghh
RCSB PDB
PDBbind
162aa, >6GHH_1|Chain... at 100%
6qi7
RCSB PDB
PDBbind
162aa, >6QI7_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ge7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Beta-lactoglobulin
Ligand Name
EW8
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.867uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Int. J. Biol. Macromol. Vol. 118: pp. 296-303
Ligand Properties
Formula
C
1
9
H
3
8
O
2
Molecular Weight
298.504
Exact Mass
298.287
No. of atoms
59
No. of bonds
58
Polar Surface Area
37.3
LOGP Value
10.18 (
Computed with XLOGP3
)
6.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
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):
P02754
Entrez Gene ID
NCBI Entrez Gene ID:
280838
ASD
Information of known allosteric effects of PDB entries
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