Browse entries in the PDBbind-CN Database
HEADER 5AJC_COMPLEX COMPND 5AJC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 SER SER VAL GLN THR ALA ALA THR SER TRP GLY THR VAL SEQRES 2 A 89 PRO SER ILE ARG VAL TYR THR ALA ASN ASN GLY LYS ILE SEQRES 3 A 89 THR GLU ARG CYS TRP ASP GLY LYS GLY TRP TYR THR GLY SEQRES 4 A 89 ALA PHE ASN GLU PRO GLY ASP ASN VAL SER VAL THR SER SEQRES 5 A 89 TRP LEU VAL GLY SER ALA ILE HIS ILE ARG VAL TYR ALA SEQRES 6 A 89 SER THR GLY THR THR THR THR GLU TRP CYS TRP ASP GLY SEQRES 7 A 89 ASN GLY TRP THR LYS GLY ALA TYR THR ALA THR SEQRES 1 B 89 SER SER VAL GLN THR ALA ALA THR SER TRP GLY THR VAL SEQRES 2 B 89 PRO SER ILE ARG VAL TYR THR ALA ASN ASN GLY LYS ILE SEQRES 3 B 89 THR GLU ARG CYS TRP ASP GLY LYS GLY TRP TYR THR GLY SEQRES 4 B 89 ALA PHE ASN GLU PRO GLY ASP ASN VAL SER VAL THR SER SEQRES 5 B 89 TRP LEU VAL GLY SER ALA ILE HIS ILE ARG VAL TYR ALA SEQRES 6 B 89 SER THR GLY THR THR THR THR GLU TRP CYS TRP ASP GLY SEQRES 7 B 89 ASN GLY TRP THR LYS GLY ALA TYR THR ALA THR SEQRES 1 C 89 SER SER VAL GLN THR ALA ALA THR SER TRP GLY THR VAL SEQRES 2 C 89 PRO SER ILE ARG VAL TYR THR ALA ASN ASN GLY LYS ILE SEQRES 3 C 89 THR GLU ARG CYS TRP ASP GLY LYS GLY TRP TYR THR GLY SEQRES 4 C 89 ALA PHE ASN GLU PRO GLY ASP ASN VAL SER VAL THR SER SEQRES 5 C 89 TRP LEU VAL GLY SER ALA ILE HIS ILE ARG VAL TYR ALA SEQRES 6 C 89 SER THR GLY THR THR THR THR GLU TRP CYS TRP ASP GLY SEQRES 7 C 89 ASN GLY TRP THR LYS GLY ALA TYR THR ALA THR HET FUC A 630 107 ATOM 1 N SER A 1 16.671 56.381 7.293 1.00 34.38 N ATOM 2 CA SER A 1 16.209 55.012 6.911 1.00 31.00 C ATOM 3 C SER A 1 17.186 54.341 5.926 1.00 28.42 C ATOM 4 O SER A 1 17.299 54.750 4.750 1.00 31.23 O ATOM 5 CB SER A 1 14.801 55.061 6.326 1.00 31.62 C ATOM 6 OG SER A 1 14.284 53.752 6.202 1.00 31.25 O ATOM 7 HG SER A 1 13.371 53.794 5.822 1.00 0.00 H ATOM 8 HN3 SER A 1 16.739 56.973 6.441 1.00 0.00 H ATOM 9 HN2 SER A 1 17.605 56.316 7.747 1.00 0.00 H ATOM 10 HN1 SER A 1 15.990 56.803 7.956 1.00 0.00 H ATOM 11 N SER A 2 17.903 53.329 6.400 1.00 19.77 N ATOM 12 CA SER A 2 18.966 52.749 5.589 1.00 17.14 C ATOM 13 C SER A 2 19.332 51.369 6.078 1.00 16.34 C ATOM 14 O SER A 2 18.940 50.945 7.167 1.00 15.34 O ATOM 15 CB SER A 2 20.221 53.633 5.652 1.00 19.25 C ATOM 16 OG SER A 2 20.873 53.526 6.903 1.00 20.14 O ATOM 17 HG SER A 2 21.145 52.586 7.053 1.00 0.00 H ATOM 18 H SER A 2 17.706 52.951 7.349 1.00 0.00 H ATOM 19 N VAL A 3 20.151 50.727 5.263 1.00 13.48 N ATOM 20 CA VAL A 3 20.841 49.527 5.653 1.00 13.28 C ATOM 21 C VAL A 3 21.738 49.825 6.877 1.00 12.96 C ATOM 22 O VAL A 3 22.060 50.972 7.179 1.00 12.67 O ATOM 23 CB VAL A 3 21.662 48.935 4.499 1.00 13.59 C ATOM 24 CG1 VAL A 3 20.794 48.522 3.360 1.00 14.49 C ATOM 25 CG2 VAL A 3 22.760 49.879 4.016 1.00 13.17 C ATOM 26 H VAL A 3 20.302 51.103 4.305 1.00 0.00 H ATOM 27 N GLN A 4 22.135 48.766 7.576 1.00 13.26 N ATOM 28 CA GLN A 4 22.933 48.880 8.830 1.00 13.81 C ATOM 29 C GLN A 4 24.206 48.081 8.592 1.00 12.46 C ATOM 30 O GLN A 4 24.167 46.947 8.086 1.00 11.85 O ATOM 31 CB GLN A 4 22.174 48.372 10.068 1.00 16.82 C ATOM 32 CG GLN A 4 20.726 48.877 10.134 1.00 21.30 C ATOM 33 CD GLN A 4 20.604 50.237 10.767 1.00 23.37 C ATOM 34 OE1 GLN A 4 21.068 50.434 11.879 1.00 26.26 O ATOM 35 NE2 GLN A 4 19.973 51.211 10.047 1.00 24.99 N ATOM 36 HE22 GLN A 4 19.593 50.996 9.103 1.00 0.00 H ATOM 37 HE21 GLN A 4 19.872 52.167 10.443 1.00 0.00 H ATOM 38 H GLN A 4 21.878 47.818 7.234 1.00 0.00 H ATOM 39 N THR A 5 25.360 48.693 8.831 1.00 11.32 N ATOM 40 CA THR A 5 26.618 47.987 8.559 1.00 10.74 C ATOM 41 C THR A 5 27.484 47.819 9.830 1.00 9.64 C ATOM 42 O THR A 5 27.301 48.526 10.814 1.00 10.26 O ATOM 43 CB THR A 5 27.493 48.694 7.458 1.00 10.65 C ATOM 44 OG1 THR A 5 27.981 49.966 7.944 1.00 11.06 O ATOM 45 CG2 THR A 5 26.658 48.950 6.141 1.00 10.72 C ATOM 46 HG1 THR A 5 28.534 49.819 8.752 1.00 0.00 H ATOM 47 H THR A 5 25.372 49.663 9.207 1.00 0.00 H ATOM 48 N ALA A 6 28.466 46.954 9.683 1.00 8.56 N ATOM 49 CA ALA A 6 29.540 46.780 10.646 1.00 8.78 C ATOM 50 C ALA A 6 30.814 46.451 9.876 1.00 9.01 C ATOM 51 O ALA A 6 30.751 45.814 8.828 1.00 9.80 O ATOM 52 CB ALA A 6 29.214 45.644 11.590 1.00 8.94 C ATOM 53 H ALA A 6 28.473 46.361 8.828 1.00 0.00 H ATOM 54 N ALA A 7 31.964 46.794 10.445 1.00 8.22 N ATOM 55 CA ALA A 7 33.267 46.576 9.745 1.00 8.97 C ATOM 56 C ALA A 7 34.336 46.140 10.692 1.00 8.51 C ATOM 57 O ALA A 7 34.380 46.584 11.846 1.00 7.86 O ATOM 58 CB ALA A 7 33.703 47.848 9.007 1.00 8.88 C ATOM 59 H ALA A 7 31.958 47.221 11.393 1.00 0.00 H ATOM 60 N THR A 8 35.251 45.332 10.172 1.00 9.67 N ATOM 61 CA THR A 8 36.456 44.953 10.878 1.00 9.45 C ATOM 62 C THR A 8 37.620 44.889 9.897 1.00 9.40 C ATOM 63 O THR A 8 37.426 44.782 8.673 1.00 9.71 O ATOM 64 CB THR A 8 36.268 43.602 11.641 1.00 10.44 C ATOM 65 OG1 THR A 8 37.314 43.450 12.596 1.00 11.12 O ATOM 66 CG2 THR A 8 36.188 42.414 10.717 1.00 10.75 C ATOM 67 HG1 THR A 8 37.283 44.201 13.240 1.00 0.00 H ATOM 68 H THR A 8 35.095 44.955 9.215 1.00 0.00 H ATOM 69 N SER A 9 38.827 44.928 10.439 1.00 9.15 N ATOM 70 CA SER A 9 40.021 44.886 9.596 1.00 9.47 C ATOM 71 C SER A 9 41.174 44.271 10.378 1.00 9.25 C ATOM 72 O SER A 9 41.161 44.274 11.616 1.00 8.47 O ATOM 73 CB SER A 9 40.413 46.286 9.124 1.00 9.61 C ATOM 74 OG SER A 9 40.712 47.185 10.235 1.00 10.13 O ATOM 75 HG SER A 9 39.913 47.270 10.814 1.00 0.00 H ATOM 76 H SER A 9 38.927 44.989 11.472 1.00 0.00 H ATOM 77 N TRP A 10 42.154 43.771 9.642 1.00 9.42 N ATOM 78 CA TRP A 10 43.331 43.224 10.310 1.00 10.34 C ATOM 79 C TRP A 10 44.586 43.288 9.445 1.00 10.52 C ATOM 80 O TRP A 10 44.531 43.301 8.225 1.00 9.58 O ATOM 81 CB TRP A 10 43.076 41.778 10.705 1.00 9.89 C ATOM 82 CG TRP A 10 42.794 40.794 9.534 1.00 10.33 C ATOM 83 CD1 TRP A 10 43.718 40.036 8.869 1.00 11.10 C ATOM 84 CD2 TRP A 10 41.530 40.418 9.013 1.00 10.81 C ATOM 85 NE1 TRP A 10 43.103 39.203 7.956 1.00 11.27 N ATOM 86 CE2 TRP A 10 41.758 39.427 8.016 1.00 10.66 C ATOM 87 CE3 TRP A 10 40.212 40.837 9.262 1.00 11.18 C ATOM 88 CZ2 TRP A 10 40.733 38.845 7.293 1.00 11.39 C ATOM 89 CZ3 TRP A 10 39.182 40.246 8.549 1.00 12.11 C ATOM 90 CH2 TRP A 10 39.456 39.261 7.540 1.00 11.62 C ATOM 91 HE1 TRP A 10 43.581 38.523 7.331 1.00 0.00 H ATOM 92 H TRP A 10 42.086 43.768 8.604 1.00 0.00 H ATOM 93 N GLY A 11 45.719 43.237 10.136 1.00 11.63 N ATOM 94 CA GLY A 11 47.007 43.331 9.519 1.00 11.11 C ATOM 95 C GLY A 11 47.281 44.667 8.837 1.00 12.32 C ATOM 96 O GLY A 11 46.580 45.668 9.091 1.00 13.18 O ATOM 97 H GLY A 11 45.668 43.124 11.169 1.00 0.00 H ATOM 98 N THR A 12 48.361 44.696 8.046 1.00 11.73 N ATOM 99 CA THR A 12 48.828 45.929 7.425 1.00 12.20 C ATOM 100 C THR A 12 48.528 46.056 5.956 1.00 12.66 C ATOM 101 O THR A 12 48.744 47.116 5.375 1.00 13.33 O ATOM 102 CB THR A 12 50.335 46.138 7.630 1.00 12.74 C ATOM 103 OG1 THR A 12 51.034 45.015 7.092 1.00 12.69 O ATOM 104 CG2 THR A 12 50.615 46.235 9.101 1.00 13.56 C ATOM 105 HG1 THR A 12 52.008 45.141 7.220 1.00 0.00 H ATOM 106 H THR A 12 48.882 43.813 7.870 1.00 0.00 H ATOM 107 N VAL A 13 48.022 44.998 5.343 1.00 12.39 N ATOM 108 CA VAL A 13 47.654 45.054 3.938 1.00 12.60 C ATOM 109 C VAL A 13 46.639 46.195 3.641 1.00 12.42 C ATOM 110 O VAL A 13 46.900 46.981 2.756 1.00 12.90 O ATOM 111 CB VAL A 13 47.180 43.705 3.382 1.00 13.69 C ATOM 112 CG1 VAL A 13 46.721 43.862 1.921 1.00 14.04 C ATOM 113 CG2 VAL A 13 48.326 42.687 3.439 1.00 14.51 C ATOM 114 H VAL A 13 47.886 44.114 5.874 1.00 0.00 H ATOM 115 N PRO A 14 45.481 46.304 4.306 1.00 11.54 N ATOM 116 CA PRO A 14 45.023 45.325 5.247 1.00 10.75 C ATOM 117 C PRO A 14 43.995 44.398 4.623 1.00 10.67 C ATOM 118 O PRO A 14 43.694 44.565 3.466 1.00 10.53 O ATOM 119 CB PRO A 14 44.284 46.213 6.249 1.00 10.99 C ATOM 120 CG PRO A 14 43.505 47.134 5.362 1.00 10.96 C ATOM 121 CD PRO A 14 44.494 47.411 4.208 1.00 11.33 C ATOM 122 N SER A 15 43.411 43.504 5.411 1.00 10.14 N ATOM 123 CA SER A 15 42.144 42.840 5.066 1.00 10.21 C ATOM 124 C SER A 15 41.025 43.583 5.742 1.00 9.72 C ATOM 125 O SER A 15 41.195 44.046 6.852 1.00 8.83 O ATOM 126 CB SER A 15 42.108 41.384 5.502 1.00 11.14 C ATOM 127 OG SER A 15 42.893 40.592 4.644 1.00 11.49 O ATOM 128 HG SER A 15 43.830 40.912 4.667 1.00 0.00 H ATOM 129 H SER A 15 43.869 43.262 6.313 1.00 0.00 H ATOM 130 N ILE A 16 39.898 43.716 5.050 1.00 9.74 N ATOM 131 CA ILE A 16 38.686 44.359 5.603 1.00 10.33 C ATOM 132 C ILE A 16 37.479 43.500 5.327 1.00 10.54 C ATOM 133 O ILE A 16 37.403 42.887 4.260 1.00 10.41 O ATOM 134 CB ILE A 16 38.427 45.742 4.950 1.00 10.49 C ATOM 135 CG1 ILE A 16 39.645 46.655 5.041 1.00 10.66 C ATOM 136 CG2 ILE A 16 37.252 46.442 5.634 1.00 11.14 C ATOM 137 CD1 ILE A 16 39.495 47.947 4.284 1.00 11.09 C ATOM 138 H ILE A 16 39.867 43.352 4.076 1.00 0.00 H ATOM 139 N ARG A 17 36.524 43.449 6.260 1.00 9.53 N ATOM 140 CA ARG A 17 35.226 42.778 6.031 1.00 9.14 C ATOM 141 C ARG A 17 34.151 43.728 6.424 1.00 8.78 C ATOM 142 O ARG A 17 34.217 44.318 7.520 1.00 9.14 O ATOM 143 CB ARG A 17 35.096 41.476 6.813 1.00 9.63 C ATOM 144 CG ARG A 17 36.132 40.399 6.425 1.00 10.12 C ATOM 145 CD ARG A 17 35.911 39.821 5.032 1.00 10.44 C ATOM 146 NE ARG A 17 36.866 38.754 4.652 1.00 10.95 N ATOM 147 CZ ARG A 17 38.087 38.960 4.166 1.00 11.22 C ATOM 148 NH1 ARG A 17 38.533 40.196 3.926 1.00 10.98 N ATOM 149 NH2 ARG A 17 38.877 37.934 3.891 1.00 11.26 N ATOM 150 HE ARG A 17 36.558 37.768 4.775 1.00 0.00 H ATOM 151 HH12 ARG A 17 39.490 40.339 3.546 1.00 0.00 H ATOM 152 HH11 ARG A 17 37.923 41.016 4.119 1.00 0.00 H ATOM 153 HH22 ARG A 17 39.831 38.099 3.511 1.00 0.00 H ATOM 154 HH21 ARG A 17 38.544 36.963 4.055 1.00 0.00 H ATOM 155 H ARG A 17 36.700 43.898 7.182 1.00 0.00 H ATOM 156 N VAL A 18 33.188 43.946 5.519 1.00 8.87 N ATOM 157 CA VAL A 18 32.040 44.862 5.781 1.00 9.13 C ATOM 158 C VAL A 18 30.760 44.037 5.691 1.00 9.45 C ATOM 159 O VAL A 18 30.523 43.385 4.659 1.00 9.92 O ATOM 160 CB VAL A 18 31.988 46.049 4.810 1.00 9.15 C ATOM 161 CG1 VAL A 18 30.791 46.939 5.096 1.00 9.17 C ATOM 162 CG2 VAL A 18 33.299 46.836 4.853 1.00 9.22 C ATOM 163 H VAL A 18 33.242 43.460 4.601 1.00 0.00 H ATOM 164 N TYR A 19 29.978 44.062 6.768 1.00 9.11 N ATOM 165 CA TYR A 19 28.731 43.293 6.876 1.00 9.44 C ATOM 166 C TYR A 19 27.595 44.274 6.731 1.00 9.44 C ATOM 167 O TYR A 19 27.621 45.327 7.387 1.00 9.41 O ATOM 168 CB TYR A 19 28.664 42.529 8.210 1.00 9.67 C ATOM 169 CG TYR A 19 29.825 41.589 8.319 1.00 9.43 C ATOM 170 CD1 TYR A 19 31.029 42.014 8.872 1.00 9.40 C ATOM 171 CD2 TYR A 19 29.742 40.287 7.830 1.00 9.50 C ATOM 172 CE1 TYR A 19 32.105 41.174 8.923 1.00 9.54 C ATOM 173 CE2 TYR A 19 30.829 39.435 7.867 1.00 9.59 C ATOM 174 CZ TYR A 19 32.007 39.900 8.398 1.00 9.90 C ATOM 175 OH TYR A 19 33.107 39.102 8.351 1.00 11.35 O ATOM 176 HH TYR A 19 33.322 38.894 7.407 1.00 0.00 H ATOM 177 H TYR A 19 30.264 44.655 7.573 1.00 0.00 H ATOM 178 N THR A 20 26.584 43.932 5.908 1.00 10.14 N ATOM 179 CA THR A 20 25.457 44.802 5.681 1.00 10.41 C ATOM 180 C THR A 20 24.156 44.051 5.944 1.00 10.62 C ATOM 181 O THR A 20 23.916 43.015 5.342 1.00 10.01 O ATOM 182 CB THR A 20 25.407 45.317 4.239 1.00 11.89 C ATOM 183 OG1 THR A 20 26.593 46.091 3.958 1.00 12.22 O ATOM 184 CG2 THR A 20 24.189 46.177 4.004 1.00 12.00 C ATOM 185 HG1 THR A 20 26.557 46.422 3.026 1.00 0.00 H ATOM 186 H THR A 20 26.618 43.013 5.422 1.00 0.00 H ATOM 187 N ALA A 21 23.355 44.583 6.854 1.00 11.20 N ATOM 188 CA ALA A 21 21.992 44.075 7.135 1.00 12.16 C ATOM 189 C ALA A 21 21.001 44.863 6.242 1.00 12.63 C ATOM 190 O ALA A 21 20.946 46.078 6.336 1.00 12.21 O ATOM 191 CB ALA A 21 21.644 44.300 8.592 1.00 12.77 C ATOM 192 H ALA A 21 23.700 45.399 7.399 1.00 0.00 H ATOM 193 N ASN A 22 20.254 44.144 5.410 1.00 13.64 N ATOM 194 CA ASN A 22 19.345 44.761 4.429 1.00 14.00 C ATOM 195 C ASN A 22 18.172 43.824 4.208 1.00 12.87 C ATOM 196 O ASN A 22 18.345 42.670 3.839 1.00 11.38 O ATOM 197 CB ASN A 22 20.077 45.017 3.106 1.00 15.49 C ATOM 198 CG ASN A 22 19.180 45.689 2.053 1.00 17.54 C ATOM 199 OD1 ASN A 22 18.235 46.410 2.372 1.00 19.42 O ATOM 200 ND2 ASN A 22 19.503 45.472 0.794 1.00 19.58 N ATOM 201 HD22 ASN A 22 20.309 44.856 0.563 1.00 0.00 H ATOM 202 HD21 ASN A 22 18.952 45.916 0.032 1.00 0.00 H ATOM 203 H ASN A 22 20.314 43.107 5.453 1.00 0.00 H ATOM 204 N ASN A 23 16.981 44.323 4.501 1.00 12.83 N ATOM 205 CA ASN A 23 15.734 43.530 4.306 1.00 14.13 C ATOM 206 C ASN A 23 15.782 42.187 5.046 1.00 14.67 C ATOM 207 O ASN A 23 15.312 41.148 4.539 1.00 14.14 O ATOM 208 CB ASN A 23 15.447 43.339 2.821 1.00 14.46 C ATOM 209 CG ASN A 23 15.076 44.655 2.116 1.00 16.07 C ATOM 210 OD1 ASN A 23 14.527 45.573 2.719 1.00 16.14 O ATOM 211 ND2 ASN A 23 15.494 44.786 0.866 1.00 19.25 N ATOM 212 HD22 ASN A 23 15.955 43.987 0.386 1.00 0.00 H ATOM 213 HD21 ASN A 23 15.361 45.688 0.365 1.00 0.00 H ATOM 214 H ASN A 23 16.914 45.291 4.876 1.00 0.00 H ATOM 215 N GLY A 24 16.370 42.200 6.243 1.00 14.14 N ATOM 216 CA GLY A 24 16.391 41.022 7.100 1.00 14.87 C ATOM 217 C GLY A 24 17.476 40.012 6.799 1.00 15.79 C ATOM 218 O GLY A 24 17.503 38.936 7.392 1.00 15.84 O ATOM 219 H GLY A 24 16.826 43.074 6.573 1.00 0.00 H ATOM 220 N LYS A 25 18.402 40.377 5.909 1.00 15.19 N ATOM 221 CA LYS A 25 19.535 39.484 5.597 1.00 15.40 C ATOM 222 C LYS A 25 20.857 40.204 5.728 1.00 14.67 C ATOM 223 O LYS A 25 20.957 41.347 5.338 1.00 14.01 O ATOM 224 CB LYS A 25 19.436 39.011 4.165 1.00 17.93 C ATOM 225 CG LYS A 25 18.101 38.341 3.826 1.00 20.21 C ATOM 226 CD LYS A 25 18.153 36.914 4.214 1.00 22.93 C ATOM 227 CE LYS A 25 19.259 36.152 3.444 1.00 23.42 C ATOM 228 NZ LYS A 25 19.948 35.190 4.364 1.00 25.96 N ATOM 229 HZ1 LYS A 25 20.377 35.714 5.154 1.00 0.00 H ATOM 230 HZ2 LYS A 25 19.255 34.509 4.734 1.00 0.00 H ATOM 231 HZ3 LYS A 25 20.689 34.682 3.840 1.00 0.00 H ATOM 232 H LYS A 25 18.324 41.298 5.432 1.00 0.00 H ATOM 233 N ILE A 26 21.862 39.529 6.255 1.00 12.42 N ATOM 234 CA ILE A 26 23.216 40.104 6.362 1.00 11.95 C ATOM 235 C ILE A 26 24.101 39.428 5.344 1.00 13.11 C ATOM 236 O ILE A 26 24.153 38.182 5.297 1.00 13.21 O ATOM 237 CB ILE A 26 23.817 39.895 7.763 1.00 11.96 C ATOM 238 CG1 ILE A 26 22.990 40.605 8.793 1.00 12.00 C ATOM 239 CG2 ILE A 26 25.262 40.429 7.847 1.00 12.29 C ATOM 240 CD1 ILE A 26 23.198 40.077 10.209 1.00 13.23 C ATOM 241 H ILE A 26 21.694 38.564 6.605 1.00 0.00 H ATOM 242 N THR A 27 24.803 40.251 4.540 1.00 12.35 N ATOM 243 CA THR A 27 25.766 39.770 3.555 1.00 12.95 C ATOM 244 C THR A 27 27.122 40.454 3.807 1.00 12.28 C ATOM 245 O THR A 27 27.200 41.409 4.607 1.00 11.61 O ATOM 246 CB THR A 27 25.311 40.073 2.126 1.00 14.86 C ATOM 247 OG1 THR A 27 25.028 41.466 2.010 1.00 15.89 O ATOM 248 CG2 THR A 27 24.011 39.247 1.776 1.00 15.69 C ATOM 249 HG1 THR A 27 24.310 41.710 2.647 1.00 0.00 H ATOM 250 H THR A 27 24.651 41.276 4.626 1.00 0.00 H ATOM 251 N GLU A 28 28.147 39.979 3.118 1.00 11.07 N ATOM 252 CA GLU A 28 29.545 40.329 3.450 1.00 11.09 C ATOM 253 C GLU A 28 30.303 40.737 2.181 1.00 11.90 C ATOM 254 O GLU A 28 30.234 40.030 1.170 1.00 11.72 O ATOM 255 CB GLU A 28 30.218 39.133 4.093 1.00 11.13 C ATOM 256 CG GLU A 28 31.678 39.277 4.523 1.00 11.06 C ATOM 257 CD GLU A 28 32.306 37.942 4.902 1.00 11.71 C ATOM 258 OE1 GLU A 28 32.040 36.911 4.172 1.00 12.84 O ATOM 259 OE2 GLU A 28 33.075 37.894 5.890 1.00 12.40 O ATOM 260 H GLU A 28 27.964 39.340 2.318 1.00 0.00 H ATOM 261 N ARG A 29 31.011 41.870 2.255 1.00 11.31 N ATOM 262 CA ARG A 29 31.952 42.302 1.202 1.00 12.15 C ATOM 263 C ARG A 29 33.362 42.295 1.796 1.00 11.69 C ATOM 264 O ARG A 29 33.567 42.637 2.980 1.00 11.14 O ATOM 265 CB ARG A 29 31.578 43.669 0.639 1.00 13.68 C ATOM 266 CG ARG A 29 30.263 43.700 -0.120 1.00 14.17 C ATOM 267 CD ARG A 29 30.391 43.053 -1.492 1.00 15.25 C ATOM 268 NE ARG A 29 31.016 43.961 -2.467 1.00 15.95 N ATOM 269 CZ ARG A 29 31.437 43.617 -3.682 1.00 16.38 C ATOM 270 NH1 ARG A 29 31.297 42.363 -4.128 1.00 16.01 N ATOM 271 NH2 ARG A 29 31.943 44.542 -4.477 1.00 17.11 N ATOM 272 HE ARG A 29 31.139 44.954 -2.183 1.00 0.00 H ATOM 273 HH12 ARG A 29 31.631 42.109 -5.080 1.00 0.00 H ATOM 274 HH11 ARG A 29 30.854 41.642 -3.523 1.00 0.00 H ATOM 275 HH22 ARG A 29 32.275 44.285 -5.428 1.00 0.00 H ATOM 276 HH21 ARG A 29 32.009 45.528 -4.152 1.00 0.00 H ATOM 277 H ARG A 29 30.893 42.474 3.093 1.00 0.00 H ATOM 278 N CYS A 30 34.315 41.909 0.968 1.00 10.77 N ATOM 279 CA CYS A 30 35.682 41.587 1.411 1.00 11.44 C ATOM 280 C CYS A 30 36.777 42.217 0.570 1.00 11.29 C ATOM 281 O CYS A 30 36.682 42.274 -0.667 1.00 10.81 O ATOM 282 CB CYS A 30 35.947 40.085 1.339 1.00 12.53 C ATOM 283 SG CYS A 30 34.638 39.002 1.962 1.00 13.47 S ATOM 284 H CYS A 30 34.090 41.829 -0.044 1.00 0.00 H ATOM 285 N TRP A 31 37.815 42.643 1.264 1.00 11.37 N ATOM 286 CA TRP A 31 39.020 43.225 0.674 1.00 11.63 C ATOM 287 C TRP A 31 40.231 42.540 1.283 1.00 12.29 C ATOM 288 O TRP A 31 40.353 42.505 2.477 1.00 11.16 O ATOM 289 CB TRP A 31 39.097 44.736 0.998 1.00 12.44 C ATOM 290 CG TRP A 31 40.346 45.397 0.502 1.00 13.10 C ATOM 291 CD1 TRP A 31 41.526 45.536 1.176 1.00 13.67 C ATOM 292 CD2 TRP A 31 40.528 46.021 -0.754 1.00 13.39 C ATOM 293 NE1 TRP A 31 42.467 46.180 0.381 1.00 13.54 N ATOM 294 CE2 TRP A 31 41.857 46.509 -0.798 1.00 13.83 C ATOM 295 CE3 TRP A 31 39.709 46.186 -1.871 1.00 13.89 C ATOM 296 CZ2 TRP A 31 42.394 47.144 -1.931 1.00 13.94 C ATOM 297 CZ3 TRP A 31 40.225 46.910 -2.979 1.00 14.98 C ATOM 298 CH2 TRP A 31 41.555 47.352 -3.005 1.00 14.76 C ATOM 299 HE1 TRP A 31 43.456 46.376 0.637 1.00 0.00 H ATOM 300 H TRP A 31 37.774 42.559 2.300 1.00 0.00 H ATOM 301 N ASP A 32 41.078 41.971 0.431 1.00 13.07 N ATOM 302 CA ASP A 32 42.346 41.390 0.800 1.00 14.00 C ATOM 303 C ASP A 32 43.533 42.007 0.001 1.00 14.32 C ATOM 304 O ASP A 32 44.594 41.382 -0.112 1.00 15.99 O ATOM 305 CB ASP A 32 42.326 39.886 0.587 1.00 14.39 C ATOM 306 CG ASP A 32 41.304 39.151 1.444 1.00 15.04 C ATOM 307 OD1 ASP A 32 41.189 39.449 2.679 1.00 14.68 O ATOM 308 OD2 ASP A 32 40.636 38.235 0.882 1.00 16.30 O ATOM 309 H ASP A 32 40.807 41.943 -0.573 1.00 0.00 H ATOM 310 N GLY A 33 43.358 43.211 -0.494 1.00 13.52 N ATOM 311 CA GLY A 33 44.411 43.965 -1.166 1.00 14.94 C ATOM 312 C GLY A 33 44.309 44.053 -2.665 1.00 17.09 C ATOM 313 O GLY A 33 45.076 44.802 -3.279 1.00 17.31 O ATOM 314 H GLY A 33 42.420 43.650 -0.402 1.00 0.00 H ATOM 315 N LYS A 34 43.359 43.333 -3.264 1.00 18.33 N ATOM 316 CA LYS A 34 43.294 43.127 -4.704 1.00 22.01 C ATOM 317 C LYS A 34 41.875 43.252 -5.284 1.00 21.05 C ATOM 318 O LYS A 34 41.562 42.623 -6.301 1.00 21.42 O ATOM 319 CB LYS A 34 43.836 41.731 -5.035 1.00 25.38 C ATOM 320 CG LYS A 34 45.236 41.449 -4.490 1.00 29.01 C ATOM 321 H LYS A 34 42.625 42.895 -2.671 1.00 0.00 H ATOM 322 N GLY A 35 41.046 44.079 -4.655 1.00 17.23 N ATOM 323 CA GLY A 35 39.670 44.326 -5.104 1.00 16.59 C ATOM 324 C GLY A 35 38.595 43.786 -4.182 1.00 15.06 C ATOM 325 O GLY A 35 38.808 42.806 -3.475 1.00 15.07 O ATOM 326 H GLY A 35 41.388 44.574 -3.806 1.00 0.00 H ATOM 327 N TRP A 36 37.438 44.413 -4.210 1.00 13.39 N ATOM 328 CA TRP A 36 36.301 43.971 -3.365 1.00 12.72 C ATOM 329 C TRP A 36 35.641 42.758 -4.007 1.00 13.45 C ATOM 330 O TRP A 36 35.516 42.689 -5.225 1.00 14.72 O ATOM 331 CB TRP A 36 35.325 45.095 -3.134 1.00 11.58 C ATOM 332 CG TRP A 36 35.889 46.166 -2.223 1.00 11.64 C ATOM 333 CD1 TRP A 36 36.521 47.304 -2.587 1.00 12.02 C ATOM 334 CD2 TRP A 36 35.855 46.160 -0.800 1.00 11.13 C ATOM 335 NE1 TRP A 36 36.911 48.019 -1.477 1.00 11.76 N ATOM 336 CE2 TRP A 36 36.497 47.339 -0.359 1.00 11.63 C ATOM 337 CE3 TRP A 36 35.314 45.288 0.155 1.00 11.23 C ATOM 338 CZ2 TRP A 36 36.616 47.657 0.986 1.00 10.78 C ATOM 339 CZ3 TRP A 36 35.443 45.612 1.527 1.00 10.78 C ATOM 340 CH2 TRP A 36 36.082 46.770 1.910 1.00 10.83 C ATOM 341 HE1 TRP A 36 37.430 48.920 -1.484 1.00 0.00 H ATOM 342 H TRP A 36 37.318 45.234 -4.837 1.00 0.00 H ATOM 343 N TYR A 37 35.241 41.797 -3.177 1.00 12.76 N ATOM 344 CA TYR A 37 34.478 40.619 -3.615 1.00 13.22 C ATOM 345 C TYR A 37 33.465 40.220 -2.561 1.00 13.96 C ATOM 346 O TYR A 37 33.486 40.698 -1.433 1.00 12.88 O ATOM 347 CB TYR A 37 35.434 39.454 -3.956 1.00 12.94 C ATOM 348 CG TYR A 37 36.186 38.868 -2.734 1.00 12.74 C ATOM 349 CD1 TYR A 37 35.649 37.829 -1.966 1.00 12.87 C ATOM 350 CD2 TYR A 37 37.447 39.358 -2.353 1.00 12.79 C ATOM 351 CE1 TYR A 37 36.320 37.303 -0.866 1.00 13.09 C ATOM 352 CE2 TYR A 37 38.132 38.844 -1.260 1.00 12.77 C ATOM 353 CZ TYR A 37 37.574 37.836 -0.510 1.00 12.97 C ATOM 354 OH TYR A 37 38.236 37.344 0.599 1.00 14.13 O ATOM 355 HH TYR A 37 39.113 36.977 0.322 1.00 0.00 H ATOM 356 H TYR A 37 35.480 41.884 -2.169 1.00 0.00 H ATOM 357 N THR A 38 32.514 39.380 -2.968 1.00 14.53 N ATOM 358 CA THR A 38 31.437 38.984 -2.085 1.00 14.46 C ATOM 359 C THR A 38 31.889 37.784 -1.262 1.00 14.53 C ATOM 360 O THR A 38 32.368 36.792 -1.807 1.00 16.69 O ATOM 361 CB THR A 38 30.170 38.660 -2.909 1.00 16.32 C ATOM 362 OG1 THR A 38 29.737 39.873 -3.527 1.00 17.10 O ATOM 363 CG2 THR A 38 29.037 38.115 -1.986 1.00 16.75 C ATOM 364 HG1 THR A 38 28.924 39.697 -4.064 1.00 0.00 H ATOM 365 H THR A 38 32.546 39.002 -3.936 1.00 0.00 H ATOM 366 N GLY A 39 31.745 37.862 0.049 1.00 14.17 N ATOM 367 CA GLY A 39 32.139 36.779 0.925 1.00 13.15 C ATOM 368 C GLY A 39 31.099 35.689 1.086 1.00 14.38 C ATOM 369 O GLY A 39 29.951 35.818 0.672 1.00 13.52 O ATOM 370 H GLY A 39 31.338 38.725 0.463 1.00 0.00 H ATOM 371 N ALA A 40 31.502 34.666 1.795 1.00 15.07 N ATOM 372 CA ALA A 40 30.640 33.484 2.075 1.00 15.73 C ATOM 373 C ALA A 40 29.524 33.749 3.071 1.00 16.42 C ATOM 374 O ALA A 40 28.550 33.017 3.111 1.00 17.56 O ATOM 375 CB ALA A 40 31.509 32.326 2.557 1.00 15.68 C ATOM 376 H ALA A 40 32.468 34.679 2.181 1.00 0.00 H ATOM 377 N PHE A 41 29.679 34.750 3.931 1.00 15.78 N ATOM 378 CA PHE A 41 28.708 34.941 5.031 1.00 15.02 C ATOM 379 C PHE A 41 27.368 35.403 4.528 1.00 15.31 C ATOM 380 O PHE A 41 27.281 36.433 3.859 1.00 14.34 O ATOM 381 CB PHE A 41 29.226 35.964 6.049 1.00 15.20 C ATOM 382 CG PHE A 41 28.324 36.125 7.233 1.00 15.31 C ATOM 383 CD1 PHE A 41 28.400 35.237 8.310 1.00 17.43 C ATOM 384 CD2 PHE A 41 27.335 37.056 7.242 1.00 15.45 C ATOM 385 CE1 PHE A 41 27.564 35.354 9.414 1.00 17.30 C ATOM 386 CE2 PHE A 41 26.536 37.214 8.369 1.00 14.95 C ATOM 387 CZ PHE A 41 26.634 36.361 9.446 1.00 14.52 C ATOM 388 H PHE A 41 30.484 35.400 3.831 1.00 0.00 H ATOM 389 N ASN A 42 26.331 34.671 4.907 1.00 16.46 N ATOM 390 CA ASN A 42 24.976 34.999 4.504 1.00 18.29 C ATOM 391 C ASN A 42 24.012 34.448 5.549 1.00 18.23 C ATOM 392 O ASN A 42 23.793 33.244 5.592 1.00 18.06 O ATOM 393 CB ASN A 42 24.691 34.435 3.127 1.00 23.20 C ATOM 394 CG ASN A 42 23.403 34.962 2.570 1.00 30.78 C ATOM 395 OD1 ASN A 42 22.350 34.779 3.185 1.00 32.53 O ATOM 396 ND2 ASN A 42 23.482 35.715 1.465 1.00 32.85 N ATOM 397 HD22 ASN A 42 24.396 35.837 0.983 1.00 0.00 H ATOM 398 HD21 ASN A 42 22.630 36.177 1.089 1.00 0.00 H ATOM 399 H ASN A 42 26.492 33.839 5.510 1.00 0.00 H ATOM 400 N GLU A 43 23.522 35.301 6.442 1.00 15.35 N ATOM 401 CA GLU A 43 22.617 34.847 7.548 1.00 14.96 C ATOM 402 C GLU A 43 21.571 35.901 7.818 1.00 14.39 C ATOM 403 O GLU A 43 21.778 37.079 7.517 1.00 14.72 O ATOM 404 CB GLU A 43 23.380 34.535 8.849 1.00 16.50 C ATOM 405 CG GLU A 43 24.438 33.430 8.774 1.00 18.06 C ATOM 406 CD GLU A 43 23.889 32.073 8.366 1.00 21.18 C ATOM 407 OE1 GLU A 43 22.655 31.843 8.421 1.00 21.77 O ATOM 408 OE2 GLU A 43 24.719 31.222 7.948 1.00 23.64 O ATOM 409 H GLU A 43 23.772 36.308 6.372 1.00 0.00 H ATOM 410 N PRO A 44 20.435 35.487 8.405 1.00 13.99 N ATOM 411 CA PRO A 44 19.407 36.446 8.741 1.00 14.07 C ATOM 412 C PRO A 44 19.856 37.456 9.793 1.00 13.04 C ATOM 413 O PRO A 44 20.664 37.130 10.652 1.00 14.14 O ATOM 414 CB PRO A 44 18.217 35.572 9.225 1.00 15.45 C ATOM 415 CG PRO A 44 18.584 34.172 8.965 1.00 15.71 C ATOM 416 CD PRO A 44 20.031 34.083 8.620 1.00 15.29 C ATOM 417 N GLY A 45 19.358 38.668 9.677 1.00 12.32 N ATOM 418 CA GLY A 45 19.516 39.679 10.698 1.00 12.42 C ATOM 419 C GLY A 45 19.094 41.062 10.238 1.00 12.40 C ATOM 420 O GLY A 45 19.181 41.369 9.059 1.00 12.92 O ATOM 421 H GLY A 45 18.829 38.909 8.815 1.00 0.00 H ATOM 422 N ASP A 46 18.643 41.858 11.190 1.00 12.66 N ATOM 423 CA ASP A 46 18.332 43.265 10.976 1.00 12.89 C ATOM 424 C ASP A 46 19.404 44.220 11.478 1.00 13.23 C ATOM 425 O ASP A 46 19.423 45.371 11.087 1.00 13.34 O ATOM 426 CB ASP A 46 17.035 43.600 11.659 1.00 15.35 C ATOM 427 CG ASP A 46 15.874 42.795 11.110 1.00 16.71 C ATOM 428 OD1 ASP A 46 15.615 42.824 9.878 1.00 18.04 O ATOM 429 OD2 ASP A 46 15.157 42.147 11.915 1.00 24.04 O ATOM 430 H ASP A 46 18.503 41.460 12.141 1.00 0.00 H ATOM 431 N ASN A 47 20.260 43.718 12.360 1.00 12.27 N ATOM 432 CA ASN A 47 21.329 44.491 12.969 1.00 12.17 C ATOM 433 C ASN A 47 22.550 43.597 13.065 1.00 11.93 C ATOM 434 O ASN A 47 22.431 42.366 13.249 1.00 11.59 O ATOM 435 CB ASN A 47 20.924 44.944 14.371 1.00 12.61 C ATOM 436 CG ASN A 47 22.023 45.713 15.070 1.00 12.94 C ATOM 437 OD1 ASN A 47 22.796 45.192 15.882 1.00 12.48 O ATOM 438 ND2 ASN A 47 22.136 46.993 14.686 1.00 16.34 N ATOM 439 HD22 ASN A 47 21.464 47.391 14.000 1.00 0.00 H ATOM 440 HD21 ASN A 47 22.896 47.587 15.074 1.00 0.00 H ATOM 441 H ASN A 47 20.160 42.718 12.629 1.00 0.00 H ATOM 442 N VAL A 48 23.721 44.198 12.913 1.00 11.31 N ATOM 443 CA VAL A 48 24.974 43.427 12.935 1.00 11.10 C ATOM 444 C VAL A 48 26.065 44.191 13.672 1.00 10.48 C ATOM 445 O VAL A 48 26.168 45.402 13.548 1.00 11.96 O ATOM 446 CB VAL A 48 25.399 43.043 11.492 1.00 11.78 C ATOM 447 CG1 VAL A 48 25.607 44.276 10.579 1.00 12.42 C ATOM 448 CG2 VAL A 48 26.617 42.141 11.504 1.00 12.50 C ATOM 449 H VAL A 48 23.755 45.228 12.776 1.00 0.00 H ATOM 450 N SER A 49 26.872 43.465 14.443 1.00 9.90 N ATOM 451 CA SER A 49 28.155 43.973 14.928 1.00 9.64 C ATOM 452 C SER A 49 29.219 42.899 14.737 1.00 9.30 C ATOM 453 O SER A 49 28.894 41.743 14.442 1.00 9.42 O ATOM 454 CB SER A 49 28.089 44.451 16.385 1.00 10.68 C ATOM 455 OG SER A 49 27.912 43.356 17.288 1.00 11.27 O ATOM 456 HG SER A 49 27.068 42.886 17.073 1.00 0.00 H ATOM 457 H SER A 49 26.580 42.503 14.710 1.00 0.00 H ATOM 458 N VAL A 50 30.481 43.310 14.851 1.00 8.69 N ATOM 459 CA VAL A 50 31.573 42.377 14.557 1.00 8.59 C ATOM 460 C VAL A 50 32.786 42.692 15.385 1.00 8.40 C ATOM 461 O VAL A 50 33.069 43.847 15.627 1.00 8.57 O ATOM 462 CB VAL A 50 31.896 42.336 13.012 1.00 9.05 C ATOM 463 CG1 VAL A 50 32.428 43.681 12.480 1.00 9.21 C ATOM 464 CG2 VAL A 50 32.878 41.241 12.653 1.00 9.84 C ATOM 465 H VAL A 50 30.690 44.285 15.146 1.00 0.00 H ATOM 466 N THR A 51 33.577 41.669 15.691 1.00 9.02 N ATOM 467 CA THR A 51 34.959 41.859 16.167 1.00 9.51 C ATOM 468 C THR A 51 35.834 40.725 15.637 1.00 9.90 C ATOM 469 O THR A 51 35.325 39.704 15.140 1.00 9.76 O ATOM 470 CB THR A 51 34.968 41.945 17.697 1.00 10.66 C ATOM 471 OG1 THR A 51 36.219 42.476 18.145 1.00 11.54 O ATOM 472 CG2 THR A 51 34.671 40.608 18.340 1.00 10.86 C ATOM 473 HG1 THR A 51 36.347 43.381 17.765 1.00 0.00 H ATOM 474 H THR A 51 33.208 40.702 15.591 1.00 0.00 H ATOM 475 N SER A 52 37.149 40.919 15.673 1.00 8.72 N ATOM 476 CA SER A 52 38.065 39.932 15.107 1.00 8.87 C ATOM 477 C SER A 52 39.426 40.020 15.752 1.00 9.34 C ATOM 478 O SER A 52 39.758 41.042 16.333 1.00 9.48 O ATOM 479 CB SER A 52 38.207 40.096 13.578 1.00 9.33 C ATOM 480 OG SER A 52 38.836 41.324 13.189 1.00 9.48 O ATOM 481 HG SER A 52 38.300 42.087 13.520 1.00 0.00 H ATOM 482 H SER A 52 37.530 41.783 16.109 1.00 0.00 H ATOM 483 N TRP A 53 40.201 38.944 15.638 1.00 9.90 N ATOM 484 CA TRP A 53 41.575 38.896 16.158 1.00 10.37 C ATOM 485 C TRP A 53 42.370 37.872 15.360 1.00 10.93 C ATOM 486 O TRP A 53 41.845 36.910 14.775 1.00 10.49 O ATOM 487 CB TRP A 53 41.608 38.548 17.668 1.00 11.19 C ATOM 488 CG TRP A 53 41.093 37.183 17.976 1.00 10.13 C ATOM 489 CD1 TRP A 53 41.833 36.030 18.161 1.00 10.57 C ATOM 490 CD2 TRP A 53 39.721 36.811 18.126 1.00 10.14 C ATOM 491 NE1 TRP A 53 40.983 34.968 18.358 1.00 10.60 N ATOM 492 CE2 TRP A 53 39.690 35.438 18.357 1.00 10.05 C ATOM 493 CE3 TRP A 53 38.512 37.519 18.101 1.00 10.41 C ATOM 494 CZ2 TRP A 53 38.498 34.732 18.535 1.00 10.13 C ATOM 495 CZ3 TRP A 53 37.293 36.781 18.284 1.00 10.99 C ATOM 496 CH2 TRP A 53 37.331 35.420 18.513 1.00 10.65 C ATOM 497 HE1 TRP A 53 41.269 33.976 18.486 1.00 0.00 H ATOM 498 H TRP A 53 39.819 38.102 15.161 1.00 0.00 H ATOM 499 N LEU A 54 43.681 38.081 15.340 1.00 12.90 N ATOM 500 CA LEU A 54 44.607 37.170 14.679 1.00 13.30 C ATOM 501 C LEU A 54 45.278 36.207 15.658 1.00 15.59 C ATOM 502 O LEU A 54 45.667 36.596 16.754 1.00 16.19 O ATOM 503 CB LEU A 54 45.746 37.947 13.994 1.00 12.51 C ATOM 504 CG LEU A 54 45.367 38.649 12.686 1.00 13.18 C ATOM 505 CD1 LEU A 54 46.402 39.711 12.330 1.00 13.54 C ATOM 506 CD2 LEU A 54 45.170 37.680 11.563 1.00 12.93 C ATOM 507 H LEU A 54 44.061 38.926 15.813 1.00 0.00 H ATOM 508 N VAL A 55 45.488 34.989 15.182 1.00 16.61 N ATOM 509 CA VAL A 55 46.414 34.023 15.802 1.00 18.91 C ATOM 510 C VAL A 55 47.433 33.722 14.694 1.00 17.74 C ATOM 511 O VAL A 55 47.138 33.015 13.756 1.00 16.42 O ATOM 512 CB VAL A 55 45.666 32.763 16.338 1.00 20.89 C ATOM 513 CG1 VAL A 55 46.653 31.806 16.995 1.00 22.72 C ATOM 514 CG2 VAL A 55 44.598 33.158 17.360 1.00 20.48 C ATOM 515 H VAL A 55 44.973 34.699 14.326 1.00 0.00 H ATOM 516 N GLY A 56 48.610 34.346 14.765 1.00 19.49 N ATOM 517 CA GLY A 56 49.548 34.400 13.634 1.00 19.92 C ATOM 518 C GLY A 56 48.993 35.123 12.430 1.00 19.64 C ATOM 519 O GLY A 56 48.607 36.297 12.539 1.00 22.46 O ATOM 520 H GLY A 56 48.875 34.813 15.656 1.00 0.00 H ATOM 521 N SER A 57 48.881 34.427 11.302 1.00 19.95 N ATOM 522 CA SER A 57 48.216 34.980 10.097 1.00 22.32 C ATOM 523 C SER A 57 46.774 34.525 9.917 1.00 19.79 C ATOM 524 O SER A 57 46.149 34.898 8.929 1.00 22.68 O ATOM 525 CB SER A 57 48.985 34.601 8.830 1.00 24.33 C ATOM 526 OG SER A 57 48.999 33.203 8.685 1.00 28.02 O ATOM 527 HG SER A 57 49.440 32.795 9.472 1.00 0.00 H ATOM 528 H SER A 57 49.272 33.464 11.264 1.00 0.00 H ATOM 529 N ALA A 58 46.261 33.755 10.880 1.00 17.49 N ATOM 530 CA ALA A 58 44.917 33.179 10.822 1.00 16.64 C ATOM 531 C ALA A 58 43.919 34.105 11.529 1.00 15.00 C ATOM 532 O ALA A 58 44.057 34.395 12.705 1.00 16.83 O ATOM 533 CB ALA A 58 44.890 31.826 11.465 1.00 17.97 C ATOM 534 H ALA A 58 46.847 33.554 11.715 1.00 0.00 H ATOM 535 N ILE A 59 42.976 34.593 10.769 1.00 14.68 N ATOM 536 CA ILE A 59 41.941 35.456 11.314 1.00 14.53 C ATOM 537 C ILE A 59 40.866 34.626 11.995 1.00 13.04 C ATOM 538 O ILE A 59 40.440 33.568 11.485 1.00 12.17 O ATOM 539 CB ILE A 59 41.366 36.414 10.242 1.00 14.70 C ATOM 540 CG1 ILE A 59 40.563 37.555 10.868 1.00 15.20 C ATOM 541 CG2 ILE A 59 40.537 35.669 9.198 1.00 15.93 C ATOM 542 CD1 ILE A 59 41.317 38.495 11.777 1.00 14.64 C ATOM 543 H ILE A 59 42.965 34.360 9.755 1.00 0.00 H ATOM 544 N HIS A 60 40.364 35.182 13.104 1.00 12.33 N ATOM 545 CA HIS A 60 39.175 34.691 13.792 1.00 11.99 C ATOM 546 C HIS A 60 38.161 35.831 13.873 1.00 10.23 C ATOM 547 O HIS A 60 38.508 36.922 14.264 1.00 10.27 O ATOM 548 CB HIS A 60 39.541 34.216 15.179 1.00 13.03 C ATOM 549 CG HIS A 60 40.488 33.070 15.171 1.00 14.90 C ATOM 550 ND1 HIS A 60 40.067 31.758 15.279 1.00 16.51 N ATOM 551 CD2 HIS A 60 41.832 33.021 14.990 1.00 16.24 C ATOM 552 CE1 HIS A 60 41.123 30.956 15.170 1.00 17.24 C ATOM 553 NE2 HIS A 60 42.194 31.697 14.965 1.00 16.94 N ATOM 554 H HIS A 60 40.850 36.013 13.498 1.00 0.00 H ATOM 555 N ILE A 61 36.940 35.583 13.461 1.00 9.71 N ATOM 556 CA ILE A 61 35.917 36.646 13.362 1.00 9.43 C ATOM 557 C ILE A 61 34.706 36.193 14.106 1.00 9.52 C ATOM 558 O ILE A 61 34.324 35.018 14.052 1.00 9.16 O ATOM 559 CB ILE A 61 35.500 36.972 11.891 1.00 9.44 C ATOM 560 CG1 ILE A 61 36.736 37.190 11.020 1.00 9.32 C ATOM 561 CG2 ILE A 61 34.628 38.208 11.842 1.00 9.88 C ATOM 562 CD1 ILE A 61 36.420 37.275 9.510 1.00 9.64 C ATOM 563 H ILE A 61 36.684 34.610 13.196 1.00 0.00 H ATOM 564 N ARG A 62 34.058 37.137 14.769 1.00 9.04 N ATOM 565 CA ARG A 62 32.774 36.882 15.458 1.00 9.53 C ATOM 566 C ARG A 62 31.781 37.923 14.976 1.00 8.82 C ATOM 567 O ARG A 62 31.986 39.117 15.187 1.00 9.40 O ATOM 568 CB ARG A 62 32.954 36.962 16.975 1.00 9.95 C ATOM 569 CG ARG A 62 33.852 35.884 17.572 1.00 10.41 C ATOM 570 CD ARG A 62 33.283 34.503 17.346 1.00 10.72 C ATOM 571 NE ARG A 62 34.136 33.460 17.920 1.00 10.68 N ATOM 572 CZ ARG A 62 35.127 32.835 17.275 1.00 11.35 C ATOM 573 NH1 ARG A 62 35.430 33.126 16.007 1.00 10.53 N ATOM 574 NH2 ARG A 62 35.816 31.907 17.893 1.00 11.89 N ATOM 575 HE ARG A 62 33.957 33.184 18.907 1.00 0.00 H ATOM 576 HH12 ARG A 62 36.206 32.624 15.529 1.00 0.00 H ATOM 577 HH11 ARG A 62 34.890 33.854 15.497 1.00 0.00 H ATOM 578 HH22 ARG A 62 36.588 31.416 17.398 1.00 0.00 H ATOM 579 HH21 ARG A 62 35.591 31.661 18.878 1.00 0.00 H ATOM 580 H ARG A 62 34.466 38.093 14.807 1.00 0.00 H ATOM 581 N VAL A 63 30.672 37.522 14.405 1.00 8.69 N ATOM 582 CA VAL A 63 29.603 38.405 13.892 1.00 9.19 C ATOM 583 C VAL A 63 28.385 38.176 14.789 1.00 9.40 C ATOM 584 O VAL A 63 27.976 37.032 14.978 1.00 9.36 O ATOM 585 CB VAL A 63 29.271 38.076 12.408 1.00 9.45 C ATOM 586 CG1 VAL A 63 28.058 38.843 11.924 1.00 10.94 C ATOM 587 CG2 VAL A 63 30.452 38.391 11.517 1.00 9.83 C ATOM 588 H VAL A 63 30.532 36.496 14.304 1.00 0.00 H ATOM 589 N TYR A 64 27.785 39.268 15.267 1.00 9.46 N ATOM 590 CA TYR A 64 26.627 39.231 16.157 1.00 9.96 C ATOM 591 C TYR A 64 25.448 39.726 15.343 1.00 10.61 C ATOM 592 O TYR A 64 25.367 40.915 15.038 1.00 10.13 O ATOM 593 CB TYR A 64 26.861 40.048 17.459 1.00 9.84 C ATOM 594 CG TYR A 64 28.009 39.443 18.233 1.00 9.66 C ATOM 595 CD1 TYR A 64 27.821 38.337 19.085 1.00 9.47 C ATOM 596 CD2 TYR A 64 29.315 39.882 18.017 1.00 9.62 C ATOM 597 CE1 TYR A 64 28.910 37.730 19.716 1.00 9.10 C ATOM 598 CE2 TYR A 64 30.410 39.253 18.642 1.00 9.34 C ATOM 599 CZ TYR A 64 30.191 38.186 19.488 1.00 9.73 C ATOM 600 OH TYR A 64 31.308 37.527 20.047 1.00 10.12 O ATOM 601 HH TYR A 64 30.997 36.788 20.628 1.00 0.00 H ATOM 602 H TYR A 64 28.163 40.197 14.991 1.00 0.00 H ATOM 603 N ALA A 65 24.562 38.796 15.005 1.00 10.34 N ATOM 604 CA ALA A 65 23.419 39.069 14.139 1.00 10.90 C ATOM 605 C ALA A 65 22.145 39.078 14.957 1.00 11.03 C ATOM 606 O ALA A 65 21.846 38.094 15.654 1.00 11.41 O ATOM 607 CB ALA A 65 23.333 37.996 13.063 1.00 11.92 C ATOM 608 H ALA A 65 24.688 37.832 15.373 1.00 0.00 H ATOM 609 N SER A 66 21.362 40.146 14.850 1.00 11.48 N ATOM 610 CA SER A 66 20.146 40.287 15.687 1.00 12.48 C ATOM 611 C SER A 66 18.889 40.394 14.854 1.00 12.91 C ATOM 612 O SER A 66 18.845 41.135 13.881 1.00 13.10 O ATOM 613 CB SER A 66 20.245 41.467 16.639 1.00 12.44 C ATOM 614 OG SER A 66 21.377 41.312 17.460 1.00 13.84 O ATOM 615 HG SER A 66 21.294 40.473 17.980 1.00 0.00 H ATOM 616 H SER A 66 21.605 40.894 14.169 1.00 0.00 H ATOM 617 N THR A 67 17.871 39.658 15.284 1.00 13.84 N ATOM 618 CA THR A 67 16.519 39.690 14.703 1.00 16.36 C ATOM 619 C THR A 67 15.575 39.705 15.880 1.00 15.34 C ATOM 620 O THR A 67 15.643 38.800 16.712 1.00 14.49 O ATOM 621 CB THR A 67 16.213 38.424 13.896 1.00 18.12 C ATOM 622 OG1 THR A 67 17.128 38.295 12.845 1.00 19.93 O ATOM 623 CG2 THR A 67 14.797 38.431 13.316 1.00 19.98 C ATOM 624 HG1 THR A 67 18.045 38.234 13.213 1.00 0.00 H ATOM 625 H THR A 67 18.040 39.016 16.085 1.00 0.00 H ATOM 626 N GLY A 68 14.728 40.720 15.984 1.00 15.29 N ATOM 627 CA GLY A 68 13.946 40.906 17.201 1.00 16.52 C ATOM 628 C GLY A 68 14.847 40.938 18.419 1.00 16.18 C ATOM 629 O GLY A 68 15.875 41.657 18.420 1.00 14.76 O ATOM 630 H GLY A 68 14.621 41.387 15.193 1.00 0.00 H ATOM 631 N THR A 69 14.516 40.154 19.450 1.00 15.79 N ATOM 632 CA THR A 69 15.349 40.165 20.653 1.00 16.64 C ATOM 633 C THR A 69 16.388 39.034 20.695 1.00 15.67 C ATOM 634 O THR A 69 17.114 38.911 21.681 1.00 18.89 O ATOM 635 CB THR A 69 14.527 40.200 21.959 1.00 19.14 C ATOM 636 OG1 THR A 69 13.683 39.061 21.974 1.00 20.59 O ATOM 637 CG2 THR A 69 13.706 41.498 22.033 1.00 20.86 C ATOM 638 HG1 THR A 69 13.081 39.088 21.189 1.00 0.00 H ATOM 639 H THR A 69 13.676 39.543 19.398 1.00 0.00 H ATOM 640 N THR A 70 16.533 38.305 19.609 1.00 16.12 N ATOM 641 CA THR A 70 17.500 37.194 19.543 1.00 16.81 C ATOM 642 C THR A 70 18.762 37.587 18.797 1.00 14.67 C ATOM 643 O THR A 70 18.696 37.934 17.615 1.00 15.28 O ATOM 644 CB THR A 70 16.887 35.976 18.860 1.00 19.13 C ATOM 645 OG1 THR A 70 15.681 35.620 19.582 1.00 22.22 O ATOM 646 CG2 THR A 70 17.814 34.810 18.888 1.00 21.53 C ATOM 647 HG1 THR A 70 15.264 34.830 19.156 1.00 0.00 H ATOM 648 H THR A 70 15.950 38.518 18.775 1.00 0.00 H ATOM 649 N THR A 71 19.891 37.484 19.484 1.00 13.44 N ATOM 650 CA THR A 71 21.200 37.700 18.849 1.00 13.15 C ATOM 651 C THR A 71 21.914 36.355 18.713 1.00 12.65 C ATOM 652 O THR A 71 22.078 35.639 19.717 1.00 13.72 O ATOM 653 CB THR A 71 22.053 38.656 19.686 1.00 12.87 C ATOM 654 OG1 THR A 71 21.380 39.920 19.793 1.00 14.04 O ATOM 655 CG2 THR A 71 23.418 38.838 19.118 1.00 13.72 C ATOM 656 HG1 THR A 71 21.246 40.299 18.888 1.00 0.00 H ATOM 657 H THR A 71 19.850 37.245 20.495 1.00 0.00 H ATOM 658 N THR A 72 22.350 36.034 17.492 1.00 12.33 N ATOM 659 CA THR A 72 23.136 34.811 17.194 1.00 11.92 C ATOM 660 C THR A 72 24.576 35.220 16.885 1.00 11.09 C ATOM 661 O THR A 72 24.795 36.143 16.095 1.00 11.41 O ATOM 662 CB THR A 72 22.548 34.092 15.989 1.00 14.86 C ATOM 663 OG1 THR A 72 21.169 33.779 16.270 1.00 16.50 O ATOM 664 CG2 THR A 72 23.288 32.811 15.678 1.00 14.47 C ATOM 665 HG1 THR A 72 20.773 33.310 15.493 1.00 0.00 H ATOM 666 H THR A 72 22.126 36.677 16.706 1.00 0.00 H ATOM 667 N GLU A 73 25.522 34.526 17.500 1.00 10.26 N ATOM 668 CA GLU A 73 26.953 34.720 17.204 1.00 10.33 C ATOM 669 C GLU A 73 27.383 33.719 16.155 1.00 11.66 C ATOM 670 O GLU A 73 27.139 32.497 16.316 1.00 12.68 O ATOM 671 CB GLU A 73 27.769 34.492 18.456 1.00 10.98 C ATOM 672 CG GLU A 73 29.285 34.582 18.281 1.00 11.13 C ATOM 673 CD GLU A 73 30.032 34.116 19.521 1.00 11.36 C ATOM 674 OE1 GLU A 73 29.751 33.009 20.037 1.00 11.09 O ATOM 675 OE2 GLU A 73 30.940 34.849 20.011 1.00 11.72 O ATOM 676 H GLU A 73 25.246 33.822 18.214 1.00 0.00 H ATOM 677 N TRP A 74 28.030 34.231 15.098 1.00 10.71 N ATOM 678 CA TRP A 74 28.557 33.430 13.997 1.00 11.47 C ATOM 679 C TRP A 74 30.068 33.544 14.030 1.00 12.36 C ATOM 680 O TRP A 74 30.610 34.645 14.246 1.00 11.67 O ATOM 681 CB TRP A 74 27.999 33.955 12.685 1.00 12.40 C ATOM 682 CG TRP A 74 26.508 33.695 12.544 1.00 12.58 C ATOM 683 CD1 TRP A 74 25.502 34.560 12.744 1.00 14.20 C ATOM 684 CD2 TRP A 74 25.916 32.456 12.199 1.00 14.61 C ATOM 685 NE1 TRP A 74 24.295 33.965 12.476 1.00 14.22 N ATOM 686 CE2 TRP A 74 24.527 32.643 12.184 1.00 14.82 C ATOM 687 CE3 TRP A 74 26.437 31.184 11.893 1.00 15.79 C ATOM 688 CZ2 TRP A 74 23.635 31.614 11.841 1.00 16.07 C ATOM 689 CZ3 TRP A 74 25.535 30.152 11.538 1.00 17.27 C ATOM 690 CH2 TRP A 74 24.151 30.377 11.550 1.00 17.27 C ATOM 691 HE1 TRP A 74 23.367 34.433 12.491 1.00 0.00 H ATOM 692 H TRP A 74 28.165 35.262 15.060 1.00 0.00 H ATOM 693 N CYS A 75 30.748 32.411 13.842 1.00 11.38 N ATOM 694 CA CYS A 75 32.181 32.305 14.108 1.00 11.97 C ATOM 695 C CYS A 75 32.908 31.854 12.857 1.00 12.72 C ATOM 696 O CYS A 75 32.504 30.883 12.200 1.00 11.88 O ATOM 697 CB CYS A 75 32.472 31.257 15.218 1.00 12.13 C ATOM 698 SG CYS A 75 31.577 31.476 16.748 1.00 14.11 S ATOM 699 H CYS A 75 30.240 31.573 13.494 1.00 0.00 H ATOM 700 N TRP A 76 33.966 32.590 12.499 1.00 12.77 N ATOM 701 CA TRP A 76 34.895 32.172 11.459 1.00 13.08 C ATOM 702 C TRP A 76 36.212 31.873 12.173 1.00 13.56 C ATOM 703 O TRP A 76 36.773 32.714 12.861 1.00 12.31 O ATOM 704 CB TRP A 76 35.124 33.217 10.378 1.00 14.04 C ATOM 705 CG TRP A 76 36.208 32.796 9.407 1.00 15.02 C ATOM 706 CD1 TRP A 76 37.549 32.951 9.558 1.00 14.92 C ATOM 707 CD2 TRP A 76 36.021 32.113 8.165 1.00 16.11 C ATOM 708 NE1 TRP A 76 38.212 32.405 8.476 1.00 16.41 N ATOM 709 CE2 TRP A 76 37.289 31.902 7.604 1.00 15.71 C ATOM 710 CE3 TRP A 76 34.893 31.693 7.472 1.00 16.63 C ATOM 711 CZ2 TRP A 76 37.475 31.263 6.382 1.00 17.73 C ATOM 712 CZ3 TRP A 76 35.059 31.057 6.256 1.00 19.06 C ATOM 713 CH2 TRP A 76 36.354 30.861 5.710 1.00 19.52 C ATOM 714 HE1 TRP A 76 39.244 32.381 8.347 1.00 0.00 H ATOM 715 H TRP A 76 34.131 33.496 12.982 1.00 0.00 H ATOM 716 N ASP A 77 36.679 30.649 11.993 1.00 15.74 N ATOM 717 CA ASP A 77 37.945 30.147 12.590 1.00 18.03 C ATOM 718 C ASP A 77 38.771 29.343 11.572 1.00 21.14 C ATOM 719 O ASP A 77 39.562 28.481 11.952 1.00 25.31 O ATOM 720 CB ASP A 77 37.683 29.272 13.833 1.00 18.03 C ATOM 721 CG ASP A 77 36.862 30.006 14.895 1.00 18.54 C ATOM 722 OD1 ASP A 77 37.428 30.890 15.550 1.00 16.95 O ATOM 723 OD2 ASP A 77 35.675 29.677 15.089 1.00 19.68 O ATOM 724 H ASP A 77 36.128 29.998 11.398 1.00 0.00 H ATOM 725 N GLY A 78 38.582 29.646 10.302 1.00 20.88 N ATOM 726 CA GLY A 78 39.398 29.106 9.202 1.00 23.42 C ATOM 727 C GLY A 78 38.722 28.106 8.288 1.00 26.07 C ATOM 728 O GLY A 78 39.288 27.732 7.274 1.00 28.20 O ATOM 729 H GLY A 78 37.813 30.304 10.064 1.00 0.00 H ATOM 730 N ASN A 79 37.530 27.657 8.661 1.00 27.97 N ATOM 731 CA ASN A 79 36.838 26.621 7.873 1.00 29.45 C ATOM 732 C ASN A 79 35.315 26.759 7.874 1.00 27.87 C ATOM 733 O ASN A 79 34.572 25.839 8.250 1.00 27.69 O ATOM 734 CB ASN A 79 37.293 25.253 8.344 1.00 33.59 C ATOM 735 CG ASN A 79 37.313 24.216 7.233 1.00 35.38 C ATOM 736 OD1 ASN A 79 36.744 24.410 6.159 1.00 37.85 O ATOM 737 ND2 ASN A 79 37.975 23.102 7.501 1.00 37.09 N ATOM 738 HD22 ASN A 79 38.441 22.983 8.423 1.00 0.00 H ATOM 739 HD21 ASN A 79 38.030 22.346 6.789 1.00 0.00 H ATOM 740 H ASN A 79 37.080 28.040 9.517 1.00 0.00 H ATOM 741 N GLY A 80 34.862 27.942 7.476 1.00 22.09 N ATOM 742 CA GLY A 80 33.475 28.174 7.358 1.00 21.36 C ATOM 743 C GLY A 80 32.867 28.791 8.591 1.00 17.22 C ATOM 744 O GLY A 80 33.471 28.921 9.648 1.00 19.40 O ATOM 745 H GLY A 80 35.534 28.703 7.250 1.00 0.00 H ATOM 746 N TRP A 81 31.653 29.259 8.397 1.00 16.61 N ATOM 747 CA TRP A 81 30.958 29.990 9.430 1.00 15.30 C ATOM 748 C TRP A 81 30.132 29.015 10.266 1.00 16.54 C ATOM 749 O TRP A 81 29.368 28.200 9.698 1.00 16.31 O ATOM 750 CB TRP A 81 30.084 31.025 8.806 1.00 15.08 C ATOM 751 CG TRP A 81 30.844 32.166 8.227 1.00 13.62 C ATOM 752 CD1 TRP A 81 31.230 32.316 6.929 1.00 14.18 C ATOM 753 CD2 TRP A 81 31.325 33.289 8.945 1.00 13.05 C ATOM 754 NE1 TRP A 81 31.898 33.526 6.785 1.00 13.45 N ATOM 755 CE2 TRP A 81 31.971 34.131 8.025 1.00 13.14 C ATOM 756 CE3 TRP A 81 31.250 33.672 10.289 1.00 12.27 C ATOM 757 CZ2 TRP A 81 32.551 35.339 8.411 1.00 12.53 C ATOM 758 CZ3 TRP A 81 31.818 34.890 10.683 1.00 12.07 C ATOM 759 CH2 TRP A 81 32.458 35.703 9.751 1.00 12.22 C ATOM 760 HE1 TRP A 81 32.278 33.910 5.896 1.00 0.00 H ATOM 761 H TRP A 81 31.185 29.099 7.482 1.00 0.00 H ATOM 762 N THR A 82 30.297 29.087 11.583 1.00 15.90 N ATOM 763 CA THR A 82 29.594 28.191 12.522 1.00 17.62 C ATOM 764 C THR A 82 28.969 28.968 13.662 1.00 17.11 C ATOM 765 O THR A 82 29.418 30.043 13.997 1.00 15.85 O ATOM 766 CB THR A 82 30.545 27.151 13.141 1.00 19.44 C ATOM 767 OG1 THR A 82 31.570 27.798 13.907 1.00 20.65 O ATOM 768 CG2 THR A 82 31.206 26.313 12.065 1.00 21.70 C ATOM 769 HG1 THR A 82 31.154 28.326 14.634 1.00 0.00 H ATOM 770 H THR A 82 30.947 29.803 11.967 1.00 0.00 H ATOM 771 N LYS A 83 27.919 28.424 14.251 1.00 16.57 N ATOM 772 CA LYS A 83 27.297 29.079 15.391 1.00 17.35 C ATOM 773 C LYS A 83 28.135 28.995 16.633 1.00 15.80 C ATOM 774 O LYS A 83 28.699 27.962 16.903 1.00 16.96 O ATOM 775 CB LYS A 83 25.968 28.427 15.748 1.00 21.90 C ATOM 776 CG LYS A 83 24.806 29.038 15.045 1.00 27.54 C ATOM 777 CD LYS A 83 23.528 28.824 15.864 1.00 33.70 C ATOM 778 CE LYS A 83 22.331 29.435 15.125 1.00 38.26 C ATOM 779 NZ LYS A 83 21.073 28.638 15.147 1.00 39.26 N ATOM 780 HZ1 LYS A 83 21.243 27.712 14.706 1.00 0.00 H ATOM 781 HZ2 LYS A 83 20.767 28.503 16.132 1.00 0.00 H ATOM 782 HZ3 LYS A 83 20.334 29.144 14.619 1.00 0.00 H ATOM 783 H LYS A 83 27.536 27.524 13.898 1.00 0.00 H ATOM 784 N GLY A 84 28.197 30.087 17.382 1.00 13.73 N ATOM 785 CA GLY A 84 28.937 30.165 18.610 1.00 13.32 C ATOM 786 C GLY A 84 28.087 30.018 19.852 1.00 12.85 C ATOM 787 O GLY A 84 26.868 29.936 19.766 1.00 12.23 O ATOM 788 H GLY A 84 27.682 30.932 17.063 1.00 0.00 H ATOM 789 N ALA A 85 28.768 29.995 20.993 1.00 12.80 N ATOM 790 CA ALA A 85 28.166 29.780 22.311 1.00 14.37 C ATOM 791 C ALA A 85 27.435 30.972 22.877 1.00 14.52 C ATOM 792 O ALA A 85 26.713 30.832 23.860 1.00 14.97 O ATOM 793 CB ALA A 85 29.211 29.331 23.322 1.00 14.87 C ATOM 794 H ALA A 85 29.797 30.139 20.947 1.00 0.00 H ATOM 795 N TYR A 86 27.576 32.147 22.250 1.00 12.18 N ATOM 796 CA TYR A 86 26.946 33.350 22.796 1.00 12.37 C ATOM 797 C TYR A 86 25.436 33.137 23.049 1.00 13.65 C ATOM 798 O TYR A 86 24.722 32.625 22.194 1.00 12.85 O ATOM 799 CB TYR A 86 27.083 34.531 21.834 1.00 11.83 C ATOM 800 CG TYR A 86 26.409 35.776 22.297 1.00 10.93 C ATOM 801 CD1 TYR A 86 27.063 36.673 23.134 1.00 11.22 C ATOM 802 CD2 TYR A 86 25.086 36.070 21.938 1.00 11.76 C ATOM 803 CE1 TYR A 86 26.461 37.833 23.567 1.00 11.55 C ATOM 804 CE2 TYR A 86 24.446 37.204 22.440 1.00 12.07 C ATOM 805 CZ TYR A 86 25.154 38.086 23.224 1.00 12.22 C ATOM 806 OH TYR A 86 24.506 39.221 23.734 1.00 12.49 O ATOM 807 HH TYR A 86 24.170 39.772 22.984 1.00 0.00 H ATOM 808 H TYR A 86 28.134 32.205 21.374 1.00 0.00 H ATOM 809 N THR A 87 25.010 33.545 24.242 1.00 14.96 N ATOM 810 CA THR A 87 23.590 33.673 24.619 1.00 17.21 C ATOM 811 C THR A 87 23.371 34.927 25.390 1.00 17.13 C ATOM 812 O THR A 87 24.308 35.539 25.934 1.00 15.86 O ATOM 813 CB THR A 87 23.071 32.486 25.470 1.00 18.65 C ATOM 814 OG1 THR A 87 23.828 32.421 26.679 1.00 19.21 O ATOM 815 CG2 THR A 87 23.227 31.191 24.722 1.00 19.26 C ATOM 816 HG1 THR A 87 24.784 32.286 26.461 1.00 0.00 H ATOM 817 H THR A 87 25.726 33.790 24.956 1.00 0.00 H ATOM 818 N ALA A 88 22.097 35.315 25.449 1.00 21.91 N ATOM 819 CA ALA A 88 21.619 36.478 26.224 1.00 25.65 C ATOM 820 C ALA A 88 21.660 36.241 27.718 1.00 28.80 C ATOM 821 O ALA A 88 21.900 37.160 28.510 1.00 35.48 O ATOM 822 CB ALA A 88 20.171 36.762 25.835 1.00 27.69 C ATOM 823 H ALA A 88 21.395 34.764 24.915 1.00 0.00 H ATOM 824 N THR A 89 21.366 35.007 28.100 1.00 31.82 N ATOM 825 CA THR A 89 21.333 34.601 29.498 1.00 37.21 C ATOM 826 C THR A 89 21.052 33.097 29.507 1.00 43.24 C ATOM 827 O THR A 89 21.995 32.282 29.516 1.00 47.91 O ATOM 828 CB THR A 89 20.217 35.323 30.296 1.00 39.80 C ATOM 829 H THR A 89 21.150 34.298 27.370 1.00 0.00 H TER 830 THR A 89 ATOM 831 N SER B 1 12.083 47.102 15.351 1.00 29.69 N ATOM 832 CA SER B 1 12.559 46.027 14.467 1.00 28.03 C ATOM 833 C SER B 1 13.512 44.989 15.139 1.00 26.86 C ATOM 834 O SER B 1 13.320 43.797 14.952 1.00 30.44 O ATOM 835 CB SER B 1 13.207 46.629 13.183 1.00 26.27 C ATOM 836 OG SER B 1 13.619 45.588 12.329 1.00 27.06 O ATOM 837 HG SER B 1 14.030 45.974 11.515 1.00 0.00 H ATOM 838 HN3 SER B 1 12.898 47.637 15.713 1.00 0.00 H ATOM 839 HN2 SER B 1 11.557 46.687 16.147 1.00 0.00 H ATOM 840 HN1 SER B 1 11.459 47.739 14.816 1.00 0.00 H ATOM 841 N SER B 2 14.542 45.389 15.888 1.00 21.90 N ATOM 842 CA SER B 2 15.438 44.393 16.485 1.00 18.65 C ATOM 843 C SER B 2 16.277 45.102 17.473 1.00 17.15 C ATOM 844 O SER B 2 16.433 46.318 17.384 1.00 17.10 O ATOM 845 CB SER B 2 16.290 43.772 15.399 1.00 18.27 C ATOM 846 OG SER B 2 15.434 43.035 14.550 1.00 18.42 O ATOM 847 HG SER B 2 14.760 43.643 14.154 1.00 0.00 H ATOM 848 H SER B 2 14.709 46.403 16.048 1.00 0.00 H ATOM 849 N VAL B 3 16.839 44.347 18.407 1.00 15.00 N ATOM 850 CA VAL B 3 17.828 44.891 19.309 1.00 13.63 C ATOM 851 C VAL B 3 19.062 45.286 18.496 1.00 13.54 C ATOM 852 O VAL B 3 19.220 44.893 17.345 1.00 12.88 O ATOM 853 CB VAL B 3 18.255 43.903 20.399 1.00 14.68 C ATOM 854 CG1 VAL B 3 17.081 43.564 21.297 1.00 15.20 C ATOM 855 CG2 VAL B 3 18.861 42.640 19.838 1.00 14.08 C ATOM 856 H VAL B 3 16.564 43.348 18.492 1.00 0.00 H ATOM 857 N GLN B 4 19.908 46.063 19.125 1.00 12.78 N ATOM 858 CA GLN B 4 21.092 46.570 18.462 1.00 13.99 C ATOM 859 C GLN B 4 22.300 46.314 19.364 1.00 12.44 C ATOM 860 O GLN B 4 22.256 46.553 20.564 1.00 11.51 O ATOM 861 CB GLN B 4 20.884 48.033 18.196 1.00 17.64 C ATOM 862 CG GLN B 4 22.007 48.710 17.468 1.00 20.89 C ATOM 863 CD GLN B 4 23.021 49.313 18.381 1.00 22.20 C ATOM 864 OE1 GLN B 4 22.640 49.952 19.372 1.00 23.28 O ATOM 865 NE2 GLN B 4 24.313 49.161 18.054 1.00 22.94 N ATOM 866 HE22 GLN B 4 24.575 48.613 17.210 1.00 0.00 H ATOM 867 HE21 GLN B 4 25.053 49.591 18.645 1.00 0.00 H ATOM 868 H GLN B 4 19.727 46.320 20.116 1.00 0.00 H ATOM 869 N THR B 5 23.384 45.865 18.747 1.00 12.09 N ATOM 870 CA THR B 5 24.556 45.448 19.519 1.00 11.15 C ATOM 871 C THR B 5 25.835 46.141 19.072 1.00 10.84 C ATOM 872 O THR B 5 25.910 46.737 17.996 1.00 11.07 O ATOM 873 CB THR B 5 24.806 43.910 19.464 1.00 11.43 C ATOM 874 OG1 THR B 5 25.303 43.530 18.186 1.00 11.37 O ATOM 875 CG2 THR B 5 23.536 43.128 19.808 1.00 12.05 C ATOM 876 HG1 THR B 5 24.642 43.774 17.490 1.00 0.00 H ATOM 877 H THR B 5 23.402 45.809 17.709 1.00 0.00 H ATOM 878 N ALA B 6 26.813 46.066 19.964 1.00 9.55 N ATOM 879 CA ALA B 6 28.157 46.579 19.721 1.00 9.57 C ATOM 880 C ALA B 6 29.111 45.618 20.402 1.00 9.68 C ATOM 881 O ALA B 6 28.764 45.073 21.461 1.00 9.92 O ATOM 882 CB ALA B 6 28.308 47.963 20.312 1.00 9.63 C ATOM 883 H ALA B 6 26.612 45.620 20.882 1.00 0.00 H ATOM 884 N ALA B 7 30.282 45.393 19.788 1.00 9.21 N ATOM 885 CA ALA B 7 31.215 44.410 20.309 1.00 9.74 C ATOM 886 C ALA B 7 32.634 44.918 20.291 1.00 9.76 C ATOM 887 O ALA B 7 33.003 45.713 19.420 1.00 9.35 O ATOM 888 CB ALA B 7 31.135 43.124 19.527 1.00 10.57 C ATOM 889 H ALA B 7 30.524 45.928 18.930 1.00 0.00 H ATOM 890 N THR B 8 33.399 44.491 21.287 1.00 9.29 N ATOM 891 CA THR B 8 34.844 44.768 21.349 1.00 10.02 C ATOM 892 C THR B 8 35.563 43.515 21.916 1.00 9.80 C ATOM 893 O THR B 8 34.938 42.663 22.587 1.00 9.44 O ATOM 894 CB THR B 8 35.139 46.041 22.191 1.00 10.38 C ATOM 895 OG1 THR B 8 36.482 46.422 21.943 1.00 10.84 O ATOM 896 CG2 THR B 8 34.924 45.818 23.691 1.00 10.82 C ATOM 897 HG1 THR B 8 36.597 46.613 20.978 1.00 0.00 H ATOM 898 H THR B 8 32.962 43.940 22.053 1.00 0.00 H ATOM 899 N SER B 9 36.840 43.389 21.568 1.00 9.68 N ATOM 900 CA SER B 9 37.629 42.269 22.047 1.00 10.10 C ATOM 901 C SER B 9 39.075 42.685 22.218 1.00 10.30 C ATOM 902 O SER B 9 39.519 43.708 21.661 1.00 9.43 O ATOM 903 CB SER B 9 37.577 41.087 21.072 1.00 10.70 C ATOM 904 OG SER B 9 38.105 41.402 19.781 1.00 11.81 O ATOM 905 HG SER B 9 37.582 42.143 19.384 1.00 0.00 H ATOM 906 H SER B 9 37.277 44.099 20.947 1.00 0.00 H ATOM 907 N TRP B 10 39.792 41.931 23.060 1.00 10.44 N ATOM 908 CA TRP B 10 41.196 42.228 23.319 1.00 10.64 C ATOM 909 C TRP B 10 42.010 41.000 23.716 1.00 12.45 C ATOM 910 O TRP B 10 41.486 40.041 24.234 1.00 11.17 O ATOM 911 CB TRP B 10 41.355 43.279 24.396 1.00 10.26 C ATOM 912 CG TRP B 10 40.862 42.899 25.781 1.00 10.06 C ATOM 913 CD1 TRP B 10 41.592 42.305 26.801 1.00 10.38 C ATOM 914 CD2 TRP B 10 39.550 43.122 26.317 1.00 9.82 C ATOM 915 NE1 TRP B 10 40.821 42.164 27.930 1.00 10.62 N ATOM 916 CE2 TRP B 10 39.569 42.669 27.668 1.00 10.41 C ATOM 917 CE3 TRP B 10 38.368 43.683 25.802 1.00 10.48 C ATOM 918 CZ2 TRP B 10 38.447 42.728 28.499 1.00 10.36 C ATOM 919 CZ3 TRP B 10 37.243 43.761 26.656 1.00 9.80 C ATOM 920 CH2 TRP B 10 37.301 43.284 27.988 1.00 10.53 C ATOM 921 HE1 TRP B 10 41.132 41.746 28.830 1.00 0.00 H ATOM 922 H TRP B 10 39.342 41.123 23.536 1.00 0.00 H ATOM 923 N GLY B 11 43.326 41.130 23.539 1.00 14.55 N ATOM 924 CA GLY B 11 44.264 40.083 23.867 1.00 15.73 C ATOM 925 C GLY B 11 44.116 38.811 23.035 1.00 17.34 C ATOM 926 O GLY B 11 43.506 38.788 21.950 1.00 16.05 O ATOM 927 H GLY B 11 43.691 42.022 23.149 1.00 0.00 H ATOM 928 N THR B 12 44.758 37.753 23.552 1.00 18.74 N ATOM 929 CA THR B 12 44.871 36.489 22.823 1.00 19.86 C ATOM 930 C THR B 12 43.918 35.373 23.288 1.00 18.30 C ATOM 931 O THR B 12 43.791 34.383 22.585 1.00 20.45 O ATOM 932 CB THR B 12 46.302 35.901 22.910 1.00 21.61 C ATOM 933 OG1 THR B 12 46.653 35.739 24.305 1.00 21.35 O ATOM 934 CG2 THR B 12 47.261 36.871 22.287 1.00 24.87 C ATOM 935 HG1 THR B 12 46.009 35.123 24.737 1.00 0.00 H ATOM 936 H THR B 12 45.187 37.833 24.496 1.00 0.00 H ATOM 937 N VAL B 13 43.230 35.567 24.391 1.00 16.64 N ATOM 938 CA VAL B 13 42.226 34.585 24.842 1.00 14.83 C ATOM 939 C VAL B 13 41.139 34.309 23.764 1.00 14.10 C ATOM 940 O VAL B 13 40.941 33.126 23.458 1.00 14.11 O ATOM 941 CB VAL B 13 41.677 34.880 26.253 1.00 16.09 C ATOM 942 CG1 VAL B 13 40.678 33.825 26.611 1.00 17.11 C ATOM 943 CG2 VAL B 13 42.829 34.908 27.281 1.00 19.27 C ATOM 944 H VAL B 13 43.396 36.426 24.954 1.00 0.00 H ATOM 945 N PRO B 14 40.424 35.302 23.187 1.00 12.17 N ATOM 946 CA PRO B 14 40.409 36.686 23.603 1.00 11.87 C ATOM 947 C PRO B 14 39.363 36.922 24.662 1.00 11.50 C ATOM 948 O PRO B 14 38.566 36.029 24.965 1.00 10.92 O ATOM 949 CB PRO B 14 39.934 37.395 22.310 1.00 12.33 C ATOM 950 CG PRO B 14 38.873 36.480 21.794 1.00 12.53 C ATOM 951 CD PRO B 14 39.413 35.082 22.131 1.00 13.10 C ATOM 952 N SER B 15 39.368 38.120 25.237 1.00 10.87 N ATOM 953 CA SER B 15 38.198 38.603 25.981 1.00 10.82 C ATOM 954 C SER B 15 37.305 39.324 24.965 1.00 9.97 C ATOM 955 O SER B 15 37.798 40.000 24.087 1.00 9.68 O ATOM 956 CB SER B 15 38.579 39.582 27.097 1.00 12.09 C ATOM 957 OG SER B 15 39.129 38.881 28.208 1.00 14.64 O ATOM 958 HG SER B 15 39.939 38.390 27.919 1.00 0.00 H ATOM 959 H SER B 15 40.212 38.723 25.159 1.00 0.00 H ATOM 960 N ILE B 16 35.997 39.198 25.138 1.00 9.32 N ATOM 961 CA ILE B 16 34.982 39.835 24.306 1.00 9.61 C ATOM 962 C ILE B 16 33.972 40.513 25.219 1.00 8.79 C ATOM 963 O ILE B 16 33.570 39.917 26.236 1.00 9.13 O ATOM 964 CB ILE B 16 34.224 38.812 23.382 1.00 10.18 C ATOM 965 CG1 ILE B 16 35.224 37.988 22.543 1.00 10.85 C ATOM 966 CG2 ILE B 16 33.328 39.557 22.409 1.00 11.24 C ATOM 967 CD1 ILE B 16 34.603 36.896 21.719 1.00 10.67 C ATOM 968 H ILE B 16 35.670 38.601 25.925 1.00 0.00 H ATOM 969 N ARG B 17 33.449 41.670 24.813 1.00 8.02 N ATOM 970 CA ARG B 17 32.297 42.282 25.484 1.00 8.73 C ATOM 971 C ARG B 17 31.287 42.643 24.434 1.00 8.91 C ATOM 972 O ARG B 17 31.660 43.227 23.403 1.00 8.95 O ATOM 973 CB ARG B 17 32.675 43.506 26.309 1.00 9.88 C ATOM 974 CG ARG B 17 33.687 43.272 27.437 1.00 9.77 C ATOM 975 CD ARG B 17 33.070 42.450 28.585 1.00 10.80 C ATOM 976 NE ARG B 17 34.024 42.243 29.693 1.00 10.45 N ATOM 977 CZ ARG B 17 34.904 41.236 29.767 1.00 11.63 C ATOM 978 NH1 ARG B 17 34.991 40.346 28.796 1.00 11.04 N ATOM 979 NH2 ARG B 17 35.715 41.131 30.809 1.00 11.68 N ATOM 980 HE ARG B 17 34.012 42.930 30.474 1.00 0.00 H ATOM 981 HH12 ARG B 17 35.678 39.568 28.864 1.00 0.00 H ATOM 982 HH11 ARG B 17 34.373 40.423 27.963 1.00 0.00 H ATOM 983 HH22 ARG B 17 36.396 40.347 30.861 1.00 0.00 H ATOM 984 HH21 ARG B 17 35.671 41.833 31.575 1.00 0.00 H ATOM 985 H ARG B 17 33.871 42.154 23.995 1.00 0.00 H ATOM 986 N VAL B 18 30.026 42.241 24.657 1.00 9.02 N ATOM 987 CA VAL B 18 28.934 42.522 23.710 1.00 9.51 C ATOM 988 C VAL B 18 27.891 43.318 24.457 1.00 10.06 C ATOM 989 O VAL B 18 27.392 42.857 25.513 1.00 10.08 O ATOM 990 CB VAL B 18 28.322 41.234 23.102 1.00 9.78 C ATOM 991 CG1 VAL B 18 27.170 41.552 22.151 1.00 10.15 C ATOM 992 CG2 VAL B 18 29.384 40.397 22.373 1.00 10.18 C ATOM 993 H VAL B 18 29.813 41.713 25.528 1.00 0.00 H ATOM 994 N TYR B 19 27.574 44.510 23.937 1.00 9.91 N ATOM 995 CA TYR B 19 26.592 45.415 24.548 1.00 10.08 C ATOM 996 C TYR B 19 25.341 45.322 23.710 1.00 10.69 C ATOM 997 O TYR B 19 25.404 45.383 22.481 1.00 9.90 O ATOM 998 CB TYR B 19 27.151 46.867 24.608 1.00 10.45 C ATOM 999 CG TYR B 19 28.414 46.898 25.430 1.00 9.92 C ATOM 1000 CD1 TYR B 19 29.628 46.592 24.856 1.00 9.14 C ATOM 1001 CD2 TYR B 19 28.360 47.099 26.805 1.00 9.88 C ATOM 1002 CE1 TYR B 19 30.775 46.505 25.591 1.00 9.31 C ATOM 1003 CE2 TYR B 19 29.511 47.032 27.571 1.00 9.73 C ATOM 1004 CZ TYR B 19 30.726 46.714 26.946 1.00 9.37 C ATOM 1005 OH TYR B 19 31.814 46.564 27.717 1.00 9.94 O ATOM 1006 HH TYR B 19 31.659 45.832 28.365 1.00 0.00 H ATOM 1007 H TYR B 19 28.045 44.809 23.059 1.00 0.00 H ATOM 1008 N THR B 20 24.178 45.209 24.369 1.00 11.22 N ATOM 1009 CA THR B 20 22.922 45.148 23.652 1.00 11.57 C ATOM 1010 C THR B 20 21.981 46.222 24.136 1.00 11.57 C ATOM 1011 O THR B 20 21.705 46.244 25.330 1.00 12.49 O ATOM 1012 CB THR B 20 22.249 43.768 23.877 1.00 12.96 C ATOM 1013 OG1 THR B 20 23.070 42.714 23.376 1.00 13.60 O ATOM 1014 CG2 THR B 20 20.876 43.697 23.156 1.00 13.47 C ATOM 1015 HG1 THR B 20 22.621 41.845 23.531 1.00 0.00 H ATOM 1016 H THR B 20 24.179 45.165 25.408 1.00 0.00 H ATOM 1017 N ALA B 21 21.453 47.029 23.214 1.00 10.93 N ATOM 1018 CA ALA B 21 20.376 47.998 23.506 1.00 11.60 C ATOM 1019 C ALA B 21 19.053 47.294 23.209 1.00 11.55 C ATOM 1020 O ALA B 21 18.798 46.901 22.088 1.00 11.48 O ATOM 1021 CB ALA B 21 20.516 49.250 22.640 1.00 11.46 C ATOM 1022 H ALA B 21 21.817 46.973 22.242 1.00 0.00 H ATOM 1023 N ASN B 22 18.212 47.171 24.219 1.00 12.25 N ATOM 1024 CA ASN B 22 16.911 46.455 24.127 1.00 13.26 C ATOM 1025 C ASN B 22 15.905 47.156 25.044 1.00 13.18 C ATOM 1026 O ASN B 22 16.110 47.299 26.256 1.00 11.57 O ATOM 1027 CB ASN B 22 17.103 45.011 24.555 1.00 15.08 C ATOM 1028 CG ASN B 22 15.842 44.172 24.445 1.00 16.28 C ATOM 1029 OD1 ASN B 22 14.890 44.524 23.778 1.00 19.04 O ATOM 1030 ND2 ASN B 22 15.864 43.037 25.114 1.00 18.83 N ATOM 1031 HD22 ASN B 22 16.703 42.778 25.672 1.00 0.00 H ATOM 1032 HD21 ASN B 22 15.043 42.400 25.084 1.00 0.00 H ATOM 1033 H ASN B 22 18.473 47.599 25.130 1.00 0.00 H ATOM 1034 N ASN B 23 14.854 47.655 24.428 1.00 13.80 N ATOM 1035 CA ASN B 23 13.770 48.309 25.151 1.00 15.28 C ATOM 1036 C ASN B 23 14.278 49.444 26.031 1.00 13.97 C ATOM 1037 O ASN B 23 13.813 49.642 27.164 1.00 13.43 O ATOM 1038 CB ASN B 23 13.025 47.274 26.006 1.00 16.09 C ATOM 1039 CG ASN B 23 12.408 46.151 25.190 1.00 19.21 C ATOM 1040 OD1 ASN B 23 11.938 46.357 24.062 1.00 20.91 O ATOM 1041 ND2 ASN B 23 12.401 44.931 25.758 1.00 22.35 N ATOM 1042 HD22 ASN B 23 12.805 44.797 26.707 1.00 0.00 H ATOM 1043 HD21 ASN B 23 11.992 44.122 25.248 1.00 0.00 H ATOM 1044 H ASN B 23 14.795 47.580 23.392 1.00 0.00 H ATOM 1045 N GLY B 24 15.227 50.230 25.495 1.00 13.27 N ATOM 1046 CA GLY B 24 15.730 51.425 26.185 1.00 14.26 C ATOM 1047 C GLY B 24 16.782 51.182 27.243 1.00 13.40 C ATOM 1048 O GLY B 24 17.190 52.112 27.912 1.00 13.85 O ATOM 1049 H GLY B 24 15.617 49.985 24.563 1.00 0.00 H ATOM 1050 N LYS B 25 17.228 49.945 27.359 1.00 13.70 N ATOM 1051 CA LYS B 25 18.313 49.602 28.288 1.00 14.97 C ATOM 1052 C LYS B 25 19.460 48.927 27.610 1.00 13.00 C ATOM 1053 O LYS B 25 19.243 48.047 26.788 1.00 12.94 O ATOM 1054 CB LYS B 25 17.781 48.690 29.368 1.00 18.76 C ATOM 1055 CG LYS B 25 16.661 49.395 30.098 1.00 23.27 C ATOM 1056 CD LYS B 25 16.208 48.695 31.320 1.00 29.47 C ATOM 1057 CE LYS B 25 15.136 49.557 31.969 1.00 35.38 C ATOM 1058 NZ LYS B 25 15.089 49.354 33.447 1.00 42.31 N ATOM 1059 HZ1 LYS B 25 14.878 48.356 33.652 1.00 0.00 H ATOM 1060 HZ2 LYS B 25 16.009 49.607 33.860 1.00 0.00 H ATOM 1061 HZ3 LYS B 25 14.347 49.958 33.855 1.00 0.00 H ATOM 1062 H LYS B 25 16.801 49.195 26.779 1.00 0.00 H ATOM 1063 N ILE B 26 20.673 49.288 27.989 1.00 12.00 N ATOM 1064 CA ILE B 26 21.864 48.581 27.483 1.00 11.99 C ATOM 1065 C ILE B 26 22.429 47.687 28.579 1.00 12.29 C ATOM 1066 O ILE B 26 22.651 48.151 29.719 1.00 12.19 O ATOM 1067 CB ILE B 26 22.941 49.575 27.038 1.00 12.74 C ATOM 1068 CG1 ILE B 26 22.414 50.463 25.927 1.00 13.17 C ATOM 1069 CG2 ILE B 26 24.196 48.829 26.554 1.00 12.32 C ATOM 1070 CD1 ILE B 26 23.192 51.760 25.760 1.00 14.32 C ATOM 1071 H ILE B 26 20.789 50.081 28.652 1.00 0.00 H ATOM 1072 N THR B 27 22.672 46.432 28.227 1.00 12.40 N ATOM 1073 CA THR B 27 23.283 45.450 29.137 1.00 12.59 C ATOM 1074 C THR B 27 24.493 44.843 28.433 1.00 12.24 C ATOM 1075 O THR B 27 24.674 45.037 27.234 1.00 12.91 O ATOM 1076 CB THR B 27 22.277 44.339 29.507 1.00 14.73 C ATOM 1077 OG1 THR B 27 21.757 43.734 28.309 1.00 15.22 O ATOM 1078 CG2 THR B 27 21.089 44.932 30.351 1.00 15.77 C ATOM 1079 HG1 THR B 27 22.502 43.342 27.789 1.00 0.00 H ATOM 1080 H THR B 27 22.420 46.128 27.265 1.00 0.00 H ATOM 1081 N GLU B 28 25.242 44.058 29.181 1.00 11.04 N ATOM 1082 CA GLU B 28 26.557 43.606 28.751 1.00 10.85 C ATOM 1083 C GLU B 28 26.714 42.107 28.991 1.00 11.04 C ATOM 1084 O GLU B 28 26.413 41.613 30.099 1.00 11.21 O ATOM 1085 CB GLU B 28 27.604 44.375 29.576 1.00 10.87 C ATOM 1086 CG GLU B 28 29.069 44.016 29.270 1.00 11.20 C ATOM 1087 CD GLU B 28 30.028 44.622 30.303 1.00 11.37 C ATOM 1088 OE1 GLU B 28 29.708 44.617 31.536 1.00 12.16 O ATOM 1089 OE2 GLU B 28 31.109 45.103 29.918 1.00 13.44 O ATOM 1090 H GLU B 28 24.882 43.752 30.108 1.00 0.00 H ATOM 1091 N ARG B 29 27.179 41.389 27.973 1.00 11.03 N ATOM 1092 CA ARG B 29 27.577 39.989 28.112 1.00 11.49 C ATOM 1093 C ARG B 29 29.083 39.876 27.862 1.00 11.91 C ATOM 1094 O ARG B 29 29.652 40.581 27.006 1.00 10.52 O ATOM 1095 CB ARG B 29 26.795 39.091 27.158 1.00 11.73 C ATOM 1096 CG ARG B 29 25.301 38.997 27.477 1.00 12.67 C ATOM 1097 CD ARG B 29 25.031 38.109 28.684 1.00 13.97 C ATOM 1098 NE ARG B 29 25.058 36.698 28.345 1.00 13.63 N ATOM 1099 CZ ARG B 29 25.063 35.689 29.222 1.00 14.46 C ATOM 1100 NH1 ARG B 29 25.032 35.914 30.542 1.00 14.78 N ATOM 1101 NH2 ARG B 29 25.056 34.435 28.778 1.00 14.79 N ATOM 1102 HE ARG B 29 25.075 36.451 27.335 1.00 0.00 H ATOM 1103 HH12 ARG B 29 25.037 35.114 31.206 1.00 0.00 H ATOM 1104 HH11 ARG B 29 25.003 36.889 30.903 1.00 0.00 H ATOM 1105 HH22 ARG B 29 25.060 33.644 29.453 1.00 0.00 H ATOM 1106 HH21 ARG B 29 25.047 34.245 27.755 1.00 0.00 H ATOM 1107 H ARG B 29 27.263 41.841 27.040 1.00 0.00 H ATOM 1108 N CYS B 30 29.713 38.995 28.638 1.00 11.04 N ATOM 1109 CA CYS B 30 31.163 38.916 28.715 1.00 11.07 C ATOM 1110 C CYS B 30 31.720 37.505 28.482 1.00 11.29 C ATOM 1111 O CYS B 30 31.165 36.540 28.984 1.00 10.91 O ATOM 1112 CB CYS B 30 31.661 39.362 30.081 1.00 11.62 C ATOM 1113 SG CYS B 30 30.914 40.875 30.739 1.00 13.20 S ATOM 1114 H CYS B 30 29.146 38.338 29.211 1.00 0.00 H ATOM 1115 N TRP B 31 32.848 37.466 27.781 1.00 10.09 N ATOM 1116 CA TRP B 31 33.649 36.268 27.547 1.00 10.51 C ATOM 1117 C TRP B 31 35.075 36.556 27.943 1.00 11.36 C ATOM 1118 O TRP B 31 35.683 37.461 27.396 1.00 10.59 O ATOM 1119 CB TRP B 31 33.587 35.877 26.080 1.00 10.32 C ATOM 1120 CG TRP B 31 34.380 34.715 25.699 1.00 10.54 C ATOM 1121 CD1 TRP B 31 35.671 34.688 25.272 1.00 10.21 C ATOM 1122 CD2 TRP B 31 33.933 33.346 25.738 1.00 10.02 C ATOM 1123 NE1 TRP B 31 36.065 33.363 25.022 1.00 10.02 N ATOM 1124 CE2 TRP B 31 35.022 32.534 25.335 1.00 10.14 C ATOM 1125 CE3 TRP B 31 32.719 32.729 26.094 1.00 10.07 C ATOM 1126 CZ2 TRP B 31 34.935 31.150 25.242 1.00 10.36 C ATOM 1127 CZ3 TRP B 31 32.624 31.333 25.973 1.00 10.03 C ATOM 1128 CH2 TRP B 31 33.717 30.557 25.565 1.00 9.86 C ATOM 1129 HE1 TRP B 31 36.993 33.063 24.660 1.00 0.00 H ATOM 1130 H TRP B 31 33.187 38.358 27.367 1.00 0.00 H ATOM 1131 N ASP B 32 35.616 35.768 28.856 1.00 11.34 N ATOM 1132 CA ASP B 32 37.040 35.763 29.222 1.00 11.68 C ATOM 1133 C ASP B 32 37.662 34.359 29.030 1.00 12.13 C ATOM 1134 O ASP B 32 38.625 34.006 29.697 1.00 13.32 O ATOM 1135 CB ASP B 32 37.215 36.219 30.669 1.00 12.92 C ATOM 1136 CG ASP B 32 36.742 37.680 30.916 1.00 13.10 C ATOM 1137 OD1 ASP B 32 37.056 38.557 30.070 1.00 14.32 O ATOM 1138 OD2 ASP B 32 36.099 37.887 31.978 1.00 16.28 O ATOM 1139 H ASP B 32 34.989 35.103 29.352 1.00 0.00 H ATOM 1140 N GLY B 33 37.100 33.573 28.123 1.00 11.51 N ATOM 1141 CA GLY B 33 37.656 32.285 27.722 1.00 11.82 C ATOM 1142 C GLY B 33 37.002 31.100 28.391 1.00 11.75 C ATOM 1143 O GLY B 33 37.339 29.947 28.049 1.00 10.76 O ATOM 1144 H GLY B 33 36.217 33.891 27.674 1.00 0.00 H ATOM 1145 N LYS B 34 36.058 31.374 29.286 1.00 12.23 N ATOM 1146 CA LYS B 34 35.551 30.364 30.238 1.00 13.26 C ATOM 1147 C LYS B 34 34.028 30.266 30.296 1.00 13.04 C ATOM 1148 O LYS B 34 33.475 29.686 31.227 1.00 13.77 O ATOM 1149 CB LYS B 34 36.138 30.623 31.614 1.00 14.43 C ATOM 1150 CG LYS B 34 37.666 30.551 31.615 1.00 16.36 C ATOM 1151 CD LYS B 34 38.215 30.922 32.980 1.00 17.97 C ATOM 1152 CE LYS B 34 37.933 32.379 33.300 1.00 18.10 C ATOM 1153 H LYS B 34 35.662 32.335 29.317 1.00 0.00 H ATOM 1154 N GLY B 35 33.368 30.777 29.272 1.00 11.52 N ATOM 1155 CA GLY B 35 31.904 30.837 29.222 1.00 12.39 C ATOM 1156 C GLY B 35 31.373 32.255 29.272 1.00 11.72 C ATOM 1157 O GLY B 35 31.974 33.148 29.866 1.00 11.76 O ATOM 1158 H GLY B 35 33.910 31.152 28.468 1.00 0.00 H ATOM 1159 N TRP B 36 30.189 32.452 28.725 1.00 12.38 N ATOM 1160 CA TRP B 36 29.557 33.795 28.768 1.00 11.92 C ATOM 1161 C TRP B 36 28.948 34.074 30.142 1.00 13.19 C ATOM 1162 O TRP B 36 28.379 33.175 30.784 1.00 13.38 O ATOM 1163 CB TRP B 36 28.513 33.912 27.644 1.00 11.53 C ATOM 1164 CG TRP B 36 29.103 33.970 26.294 1.00 10.74 C ATOM 1165 CD1 TRP B 36 29.346 32.924 25.449 1.00 10.97 C ATOM 1166 CD2 TRP B 36 29.633 35.139 25.632 1.00 10.33 C ATOM 1167 NE1 TRP B 36 29.940 33.365 24.285 1.00 10.77 N ATOM 1168 CE2 TRP B 36 30.138 34.718 24.379 1.00 10.10 C ATOM 1169 CE3 TRP B 36 29.697 36.493 25.968 1.00 9.80 C ATOM 1170 CZ2 TRP B 36 30.707 35.598 23.460 1.00 10.32 C ATOM 1171 CZ3 TRP B 36 30.219 37.396 25.029 1.00 9.99 C ATOM 1172 CH2 TRP B 36 30.738 36.947 23.803 1.00 10.38 C ATOM 1173 HE1 TRP B 36 30.195 32.770 23.471 1.00 0.00 H ATOM 1174 H TRP B 36 29.696 31.663 28.261 1.00 0.00 H ATOM 1175 N TYR B 37 29.067 35.326 30.591 1.00 13.50 N ATOM 1176 CA TYR B 37 28.452 35.759 31.829 1.00 13.39 C ATOM 1177 C TYR B 37 27.950 37.182 31.685 1.00 13.83 C ATOM 1178 O TYR B 37 28.326 37.900 30.763 1.00 12.99 O ATOM 1179 CB TYR B 37 29.399 35.580 33.026 1.00 14.23 C ATOM 1180 CG TYR B 37 30.626 36.477 32.993 1.00 14.47 C ATOM 1181 CD1 TYR B 37 31.793 36.078 32.347 1.00 13.20 C ATOM 1182 CD2 TYR B 37 30.623 37.719 33.645 1.00 15.35 C ATOM 1183 CE1 TYR B 37 32.892 36.916 32.308 1.00 13.62 C ATOM 1184 CE2 TYR B 37 31.720 38.540 33.618 1.00 14.65 C ATOM 1185 CZ TYR B 37 32.865 38.128 32.969 1.00 13.34 C ATOM 1186 OH TYR B 37 33.941 38.973 32.901 1.00 13.43 O ATOM 1187 HH TYR B 37 34.676 38.531 32.406 1.00 0.00 H ATOM 1188 H TYR B 37 29.618 36.011 30.035 1.00 0.00 H ATOM 1189 N THR B 38 27.064 37.592 32.589 1.00 13.25 N ATOM 1190 CA THR B 38 26.503 38.950 32.548 1.00 13.57 C ATOM 1191 C THR B 38 27.426 39.921 33.242 1.00 13.57 C ATOM 1192 O THR B 38 27.828 39.719 34.390 1.00 14.97 O ATOM 1193 CB THR B 38 25.090 38.950 33.174 1.00 14.42 C ATOM 1194 OG1 THR B 38 24.274 38.125 32.342 1.00 15.81 O ATOM 1195 CG2 THR B 38 24.472 40.364 33.238 1.00 14.73 C ATOM 1196 HG1 THR B 38 23.355 38.096 32.708 1.00 0.00 H ATOM 1197 H THR B 38 26.762 36.939 33.340 1.00 0.00 H ATOM 1198 N GLY B 39 27.776 41.001 32.545 1.00 13.60 N ATOM 1199 CA GLY B 39 28.634 42.031 33.123 1.00 13.03 C ATOM 1200 C GLY B 39 27.945 43.054 33.997 1.00 13.26 C ATOM 1201 O GLY B 39 26.713 43.135 34.071 1.00 13.55 O ATOM 1202 H GLY B 39 27.431 41.113 31.570 1.00 0.00 H ATOM 1203 N ALA B 40 28.749 43.894 34.606 1.00 12.69 N ATOM 1204 CA ALA B 40 28.248 44.941 35.484 1.00 14.61 C ATOM 1205 C ALA B 40 27.602 46.123 34.768 1.00 14.97 C ATOM 1206 O ALA B 40 26.833 46.857 35.381 1.00 16.44 O ATOM 1207 CB ALA B 40 29.383 45.457 36.344 1.00 14.78 C ATOM 1208 H ALA B 40 29.775 43.809 34.457 1.00 0.00 H ATOM 1209 N PHE B 41 27.886 46.320 33.481 1.00 14.39 N ATOM 1210 CA PHE B 41 27.350 47.498 32.806 1.00 14.66 C ATOM 1211 C PHE B 41 25.849 47.442 32.642 1.00 15.97 C ATOM 1212 O PHE B 41 25.340 46.531 32.008 1.00 15.58 O ATOM 1213 CB PHE B 41 28.001 47.709 31.438 1.00 15.18 C ATOM 1214 CG PHE B 41 27.554 48.965 30.764 1.00 15.24 C ATOM 1215 CD1 PHE B 41 28.122 50.158 31.076 1.00 16.49 C ATOM 1216 CD2 PHE B 41 26.516 48.944 29.874 1.00 14.76 C ATOM 1217 CE1 PHE B 41 27.694 51.332 30.455 1.00 18.19 C ATOM 1218 CE2 PHE B 41 26.086 50.102 29.254 1.00 15.78 C ATOM 1219 CZ PHE B 41 26.677 51.302 29.530 1.00 16.44 C ATOM 1220 H PHE B 41 28.482 45.643 32.964 1.00 0.00 H ATOM 1221 N ASN B 42 25.151 48.452 33.149 1.00 15.56 N ATOM 1222 CA ASN B 42 23.731 48.564 32.971 1.00 18.02 C ATOM 1223 C ASN B 42 23.287 50.014 32.966 1.00 17.70 C ATOM 1224 O ASN B 42 23.328 50.665 33.980 1.00 17.02 O ATOM 1225 CB ASN B 42 23.013 47.812 34.076 1.00 20.31 C ATOM 1226 CG ASN B 42 21.629 47.487 33.685 1.00 24.92 C ATOM 1227 OD1 ASN B 42 20.781 48.403 33.457 1.00 25.69 O ATOM 1228 ND2 ASN B 42 21.358 46.196 33.487 1.00 28.50 N ATOM 1229 HD22 ASN B 42 22.082 45.476 33.686 1.00 0.00 H ATOM 1230 HD21 ASN B 42 20.423 45.909 33.133 1.00 0.00 H ATOM 1231 H ASN B 42 25.649 49.185 33.692 1.00 0.00 H ATOM 1232 N GLU B 43 22.949 50.533 31.801 1.00 17.01 N ATOM 1233 CA GLU B 43 22.579 51.957 31.653 1.00 17.30 C ATOM 1234 C GLU B 43 21.561 52.163 30.571 1.00 16.78 C ATOM 1235 O GLU B 43 21.455 51.375 29.630 1.00 16.02 O ATOM 1236 CB GLU B 43 23.792 52.868 31.326 1.00 17.78 C ATOM 1237 CG GLU B 43 24.918 52.908 32.345 1.00 20.18 C ATOM 1238 CD GLU B 43 24.519 53.419 33.726 1.00 23.37 C ATOM 1239 OE1 GLU B 43 23.442 54.061 33.881 1.00 24.81 O ATOM 1240 OE2 GLU B 43 25.288 53.124 34.670 1.00 25.72 O ATOM 1241 H GLU B 43 22.943 49.921 30.960 1.00 0.00 H ATOM 1242 N PRO B 44 20.807 53.274 30.679 1.00 15.63 N ATOM 1243 CA PRO B 44 19.819 53.475 29.613 1.00 16.46 C ATOM 1244 C PRO B 44 20.405 53.827 28.258 1.00 16.65 C ATOM 1245 O PRO B 44 21.491 54.391 28.170 1.00 15.91 O ATOM 1246 CB PRO B 44 18.942 54.637 30.107 1.00 17.13 C ATOM 1247 CG PRO B 44 19.566 55.162 31.311 1.00 18.55 C ATOM 1248 CD PRO B 44 20.734 54.306 31.733 1.00 17.59 C ATOM 1249 N GLY B 45 19.708 53.433 27.210 1.00 14.97 N ATOM 1250 CA GLY B 45 20.062 53.818 25.840 1.00 16.25 C ATOM 1251 C GLY B 45 19.259 53.067 24.824 1.00 15.50 C ATOM 1252 O GLY B 45 18.900 51.898 25.022 1.00 14.52 O ATOM 1253 H GLY B 45 18.877 52.827 27.361 1.00 0.00 H ATOM 1254 N ASP B 46 19.045 53.738 23.696 1.00 16.02 N ATOM 1255 CA ASP B 46 18.435 53.121 22.516 1.00 18.16 C ATOM 1256 C ASP B 46 19.425 52.673 21.444 1.00 16.43 C ATOM 1257 O ASP B 46 19.083 51.898 20.560 1.00 16.44 O ATOM 1258 CB ASP B 46 17.455 54.090 21.883 1.00 23.18 C ATOM 1259 CG ASP B 46 16.294 54.414 22.823 1.00 28.28 C ATOM 1260 OD1 ASP B 46 15.616 53.437 23.327 1.00 31.53 O ATOM 1261 OD2 ASP B 46 16.112 55.618 23.082 1.00 33.01 O ATOM 1262 H ASP B 46 19.321 54.740 23.650 1.00 0.00 H ATOM 1263 N ASN B 47 20.653 53.141 21.559 1.00 14.97 N ATOM 1264 CA ASN B 47 21.707 52.832 20.599 1.00 14.85 C ATOM 1265 C ASN B 47 23.028 52.782 21.310 1.00 11.22 C ATOM 1266 O ASN B 47 23.226 53.494 22.294 1.00 11.33 O ATOM 1267 CB ASN B 47 21.818 53.942 19.529 1.00 16.91 C ATOM 1268 CG ASN B 47 22.958 53.687 18.569 1.00 19.22 C ATOM 1269 OD1 ASN B 47 24.081 54.277 18.655 1.00 20.73 O ATOM 1270 ND2 ASN B 47 22.728 52.741 17.675 1.00 22.40 N ATOM 1271 HD22 ASN B 47 21.797 52.280 17.634 1.00 0.00 H ATOM 1272 HD21 ASN B 47 23.478 52.458 17.013 1.00 0.00 H ATOM 1273 H ASN B 47 20.879 53.755 22.367 1.00 0.00 H ATOM 1274 N VAL B 48 23.929 51.921 20.841 1.00 11.03 N ATOM 1275 CA VAL B 48 25.216 51.751 21.531 1.00 10.23 C ATOM 1276 C VAL B 48 26.358 51.492 20.562 1.00 9.51 C ATOM 1277 O VAL B 48 26.197 50.848 19.528 1.00 9.35 O ATOM 1278 CB VAL B 48 25.145 50.558 22.561 1.00 10.52 C ATOM 1279 CG1 VAL B 48 24.807 49.208 21.910 1.00 10.60 C ATOM 1280 CG2 VAL B 48 26.441 50.478 23.391 1.00 10.94 C ATOM 1281 H VAL B 48 23.722 51.368 19.985 1.00 0.00 H ATOM 1282 N SER B 49 27.512 52.065 20.865 1.00 8.57 N ATOM 1283 CA SER B 49 28.758 51.703 20.236 1.00 9.12 C ATOM 1284 C SER B 49 29.834 51.540 21.310 1.00 9.08 C ATOM 1285 O SER B 49 29.662 52.018 22.436 1.00 8.97 O ATOM 1286 CB SER B 49 29.184 52.695 19.142 1.00 10.00 C ATOM 1287 OG SER B 49 29.531 53.984 19.627 1.00 10.20 O ATOM 1288 HG SER B 49 28.752 54.381 20.092 1.00 0.00 H ATOM 1289 H SER B 49 27.520 52.811 21.590 1.00 0.00 H ATOM 1290 N VAL B 50 30.978 50.932 20.956 1.00 8.64 N ATOM 1291 CA VAL B 50 32.013 50.667 21.938 1.00 8.87 C ATOM 1292 C VAL B 50 33.410 50.611 21.306 1.00 9.21 C ATOM 1293 O VAL B 50 33.547 50.248 20.142 1.00 9.00 O ATOM 1294 CB VAL B 50 31.758 49.339 22.712 1.00 9.21 C ATOM 1295 CG1 VAL B 50 31.814 48.143 21.784 1.00 9.35 C ATOM 1296 CG2 VAL B 50 32.710 49.156 23.874 1.00 9.50 C ATOM 1297 H VAL B 50 31.124 50.648 19.966 1.00 0.00 H ATOM 1298 N THR B 51 34.409 51.001 22.071 1.00 9.36 N ATOM 1299 CA THR B 51 35.803 50.765 21.712 1.00 9.33 C ATOM 1300 C THR B 51 36.564 50.444 22.979 1.00 10.10 C ATOM 1301 O THR B 51 36.128 50.801 24.103 1.00 9.33 O ATOM 1302 CB THR B 51 36.391 51.962 20.903 1.00 10.12 C ATOM 1303 OG1 THR B 51 37.635 51.600 20.309 1.00 10.14 O ATOM 1304 CG2 THR B 51 36.567 53.200 21.771 1.00 10.11 C ATOM 1305 HG1 THR B 51 37.497 50.834 19.697 1.00 0.00 H ATOM 1306 H THR B 51 34.196 51.494 22.962 1.00 0.00 H ATOM 1307 N SER B 52 37.757 49.892 22.814 1.00 8.96 N ATOM 1308 CA SER B 52 38.600 49.563 23.961 1.00 9.11 C ATOM 1309 C SER B 52 40.058 49.531 23.577 1.00 9.90 C ATOM 1310 O SER B 52 40.373 49.395 22.413 1.00 9.29 O ATOM 1311 CB SER B 52 38.212 48.220 24.572 1.00 9.38 C ATOM 1312 OG SER B 52 38.459 47.086 23.696 1.00 9.73 O ATOM 1313 HG SER B 52 37.935 47.194 22.863 1.00 0.00 H ATOM 1314 H SER B 52 38.099 49.690 21.853 1.00 0.00 H ATOM 1315 N TRP B 53 40.924 49.688 24.572 1.00 10.23 N ATOM 1316 CA TRP B 53 42.376 49.598 24.401 1.00 11.20 C ATOM 1317 C TRP B 53 43.038 49.133 25.708 1.00 10.91 C ATOM 1318 O TRP B 53 42.492 49.253 26.806 1.00 11.73 O ATOM 1319 CB TRP B 53 42.969 50.956 23.954 1.00 10.69 C ATOM 1320 CG TRP B 53 42.851 52.026 25.037 1.00 10.75 C ATOM 1321 CD1 TRP B 53 43.796 52.367 25.968 1.00 11.03 C ATOM 1322 CD2 TRP B 53 41.699 52.811 25.346 1.00 11.18 C ATOM 1323 NE1 TRP B 53 43.333 53.340 26.782 1.00 10.97 N ATOM 1324 CE2 TRP B 53 42.037 53.622 26.455 1.00 10.88 C ATOM 1325 CE3 TRP B 53 40.425 52.913 24.790 1.00 11.16 C ATOM 1326 CZ2 TRP B 53 41.145 54.533 27.015 1.00 11.37 C ATOM 1327 CZ3 TRP B 53 39.529 53.845 25.338 1.00 12.14 C ATOM 1328 CH2 TRP B 53 39.895 54.618 26.474 1.00 10.72 C ATOM 1329 HE1 TRP B 53 43.877 53.802 27.538 1.00 0.00 H ATOM 1330 H TRP B 53 40.551 49.885 25.523 1.00 0.00 H ATOM 1331 N LEU B 54 44.201 48.522 25.545 1.00 12.03 N ATOM 1332 CA LEU B 54 44.992 48.005 26.662 1.00 11.44 C ATOM 1333 C LEU B 54 46.075 48.990 27.053 1.00 12.08 C ATOM 1334 O LEU B 54 46.728 49.535 26.180 1.00 11.40 O ATOM 1335 CB LEU B 54 45.643 46.683 26.292 1.00 12.06 C ATOM 1336 CG LEU B 54 44.705 45.438 26.253 1.00 12.48 C ATOM 1337 CD1 LEU B 54 45.385 44.283 25.543 1.00 13.51 C ATOM 1338 CD2 LEU B 54 44.334 45.032 27.647 1.00 13.05 C ATOM 1339 H LEU B 54 44.569 48.404 24.579 1.00 0.00 H ATOM 1340 N VAL B 55 46.287 49.138 28.366 1.00 13.48 N ATOM 1341 CA VAL B 55 47.478 49.815 28.910 1.00 15.30 C ATOM 1342 C VAL B 55 48.135 48.763 29.791 1.00 16.05 C ATOM 1343 O VAL B 55 47.631 48.403 30.844 1.00 16.35 O ATOM 1344 CB VAL B 55 47.147 51.057 29.712 1.00 15.70 C ATOM 1345 CG1 VAL B 55 48.429 51.701 30.222 1.00 18.37 C ATOM 1346 CG2 VAL B 55 46.389 52.059 28.854 1.00 16.00 C ATOM 1347 H VAL B 55 45.582 48.760 29.030 1.00 0.00 H ATOM 1348 N GLY B 56 49.284 48.283 29.350 1.00 19.34 N ATOM 1349 CA GLY B 56 49.829 47.037 29.859 1.00 19.89 C ATOM 1350 C GLY B 56 48.785 45.922 29.681 1.00 20.69 C ATOM 1351 O GLY B 56 48.302 45.680 28.560 1.00 22.57 O ATOM 1352 H GLY B 56 49.810 48.809 28.623 1.00 0.00 H ATOM 1353 N SER B 57 48.449 45.248 30.775 1.00 20.82 N ATOM 1354 CA SER B 57 47.467 44.143 30.756 1.00 21.62 C ATOM 1355 C SER B 57 46.072 44.608 31.218 1.00 20.47 C ATOM 1356 O SER B 57 45.150 43.779 31.309 1.00 19.30 O ATOM 1357 CB SER B 57 47.923 42.999 31.646 1.00 23.61 C ATOM 1358 OG SER B 57 48.041 43.445 32.970 1.00 27.21 O ATOM 1359 HG SER B 57 48.338 42.695 33.544 1.00 0.00 H ATOM 1360 H SER B 57 48.893 45.507 31.679 1.00 0.00 H ATOM 1361 N ALA B 58 45.928 45.908 31.456 1.00 17.85 N ATOM 1362 CA ALA B 58 44.678 46.515 31.954 1.00 16.12 C ATOM 1363 C ALA B 58 43.823 47.002 30.787 1.00 14.33 C ATOM 1364 O ALA B 58 44.259 47.822 30.004 1.00 13.52 O ATOM 1365 CB ALA B 58 44.973 47.671 32.874 1.00 16.42 C ATOM 1366 H ALA B 58 46.741 46.532 31.282 1.00 0.00 H ATOM 1367 N ILE B 59 42.593 46.523 30.728 1.00 12.96 N ATOM 1368 CA ILE B 59 41.640 47.015 29.698 1.00 13.39 C ATOM 1369 C ILE B 59 40.973 48.320 30.117 1.00 12.34 C ATOM 1370 O ILE B 59 40.607 48.527 31.275 1.00 15.00 O ATOM 1371 CB ILE B 59 40.558 45.943 29.336 1.00 13.51 C ATOM 1372 CG1 ILE B 59 39.823 46.253 28.011 1.00 12.83 C ATOM 1373 CG2 ILE B 59 39.540 45.738 30.468 1.00 13.70 C ATOM 1374 CD1 ILE B 59 40.687 46.299 26.768 1.00 12.36 C ATOM 1375 H ILE B 59 42.289 45.796 31.407 1.00 0.00 H ATOM 1376 N HIS B 60 40.796 49.190 29.136 1.00 11.41 N ATOM 1377 CA HIS B 60 40.032 50.422 29.233 1.00 11.06 C ATOM 1378 C HIS B 60 38.933 50.358 28.187 1.00 10.62 C ATOM 1379 O HIS B 60 39.222 50.092 27.027 1.00 10.78 O ATOM 1380 CB HIS B 60 40.945 51.628 28.991 1.00 12.45 C ATOM 1381 CG HIS B 60 42.017 51.755 30.016 1.00 13.32 C ATOM 1382 ND1 HIS B 60 41.878 52.535 31.139 1.00 16.01 N ATOM 1383 CD2 HIS B 60 43.184 51.091 30.167 1.00 14.83 C ATOM 1384 CE1 HIS B 60 42.947 52.397 31.912 1.00 16.53 C ATOM 1385 NE2 HIS B 60 43.743 51.500 31.353 1.00 16.14 N ATOM 1386 H HIS B 60 41.240 48.974 28.221 1.00 0.00 H ATOM 1387 N ILE B 61 37.683 50.613 28.580 1.00 10.01 N ATOM 1388 CA ILE B 61 36.543 50.473 27.672 1.00 9.02 C ATOM 1389 C ILE B 61 35.765 51.788 27.680 1.00 9.64 C ATOM 1390 O ILE B 61 35.626 52.408 28.734 1.00 10.24 O ATOM 1391 CB ILE B 61 35.588 49.319 28.056 1.00 8.99 C ATOM 1392 CG1 ILE B 61 36.383 48.026 28.279 1.00 9.20 C ATOM 1393 CG2 ILE B 61 34.561 49.100 26.938 1.00 8.71 C ATOM 1394 CD1 ILE B 61 35.567 46.926 28.901 1.00 9.12 C ATOM 1395 H ILE B 61 37.514 50.920 29.559 1.00 0.00 H ATOM 1396 N ARG B 62 35.303 52.201 26.509 1.00 9.29 N ATOM 1397 CA ARG B 62 34.420 53.370 26.354 1.00 9.82 C ATOM 1398 C ARG B 62 33.159 52.941 25.606 1.00 10.08 C ATOM 1399 O ARG B 62 33.223 52.496 24.491 1.00 9.90 O ATOM 1400 CB ARG B 62 35.125 54.493 25.604 1.00 10.75 C ATOM 1401 CG ARG B 62 36.324 55.058 26.333 1.00 10.53 C ATOM 1402 CD ARG B 62 35.919 55.686 27.676 1.00 11.65 C ATOM 1403 NE ARG B 62 37.052 56.277 28.378 1.00 11.37 N ATOM 1404 CZ ARG B 62 37.840 55.626 29.241 1.00 11.75 C ATOM 1405 NH1 ARG B 62 37.647 54.354 29.537 1.00 11.40 N ATOM 1406 NH2 ARG B 62 38.826 56.269 29.834 1.00 13.10 N ATOM 1407 HE ARG B 62 37.263 57.279 28.194 1.00 0.00 H ATOM 1408 HH12 ARG B 62 38.277 53.876 30.212 1.00 0.00 H ATOM 1409 HH11 ARG B 62 36.865 53.830 29.095 1.00 0.00 H ATOM 1410 HH22 ARG B 62 39.443 55.769 30.506 1.00 0.00 H ATOM 1411 HH21 ARG B 62 38.987 57.276 29.630 1.00 0.00 H ATOM 1412 H ARG B 62 35.578 51.673 25.656 1.00 0.00 H ATOM 1413 N VAL B 63 31.999 53.088 26.233 1.00 9.95 N ATOM 1414 CA VAL B 63 30.712 52.738 25.670 1.00 9.56 C ATOM 1415 C VAL B 63 29.958 54.036 25.439 1.00 10.41 C ATOM 1416 O VAL B 63 29.857 54.882 26.350 1.00 11.91 O ATOM 1417 CB VAL B 63 29.901 51.820 26.633 1.00 10.30 C ATOM 1418 CG1 VAL B 63 28.490 51.607 26.144 1.00 10.82 C ATOM 1419 CG2 VAL B 63 30.590 50.481 26.839 1.00 10.50 C ATOM 1420 H VAL B 63 32.015 53.482 27.195 1.00 0.00 H ATOM 1421 N TYR B 64 29.434 54.204 24.237 1.00 9.27 N ATOM 1422 CA TYR B 64 28.716 55.416 23.796 1.00 10.01 C ATOM 1423 C TYR B 64 27.233 55.050 23.709 1.00 9.97 C ATOM 1424 O TYR B 64 26.833 54.338 22.805 1.00 10.15 O ATOM 1425 CB TYR B 64 29.297 55.993 22.446 1.00 9.90 C ATOM 1426 CG TYR B 64 30.708 56.399 22.675 1.00 9.13 C ATOM 1427 CD1 TYR B 64 31.027 57.627 23.277 1.00 8.92 C ATOM 1428 CD2 TYR B 64 31.758 55.520 22.418 1.00 8.68 C ATOM 1429 CE1 TYR B 64 32.340 57.935 23.613 1.00 8.83 C ATOM 1430 CE2 TYR B 64 33.059 55.833 22.736 1.00 8.93 C ATOM 1431 CZ TYR B 64 33.354 57.037 23.353 1.00 8.64 C ATOM 1432 OH TYR B 64 34.658 57.338 23.687 1.00 8.73 O ATOM 1433 HH TYR B 64 34.690 58.229 24.117 1.00 0.00 H ATOM 1434 H TYR B 64 29.535 53.427 23.553 1.00 0.00 H ATOM 1435 N ALA B 65 26.455 55.530 24.676 1.00 10.36 N ATOM 1436 CA ALA B 65 25.038 55.238 24.812 1.00 10.78 C ATOM 1437 C ALA B 65 24.204 56.439 24.376 1.00 10.95 C ATOM 1438 O ALA B 65 24.386 57.526 24.894 1.00 12.06 O ATOM 1439 CB ALA B 65 24.724 54.891 26.263 1.00 10.34 C ATOM 1440 H ALA B 65 26.891 56.157 25.382 1.00 0.00 H ATOM 1441 N SER B 66 23.280 56.218 23.461 1.00 12.37 N ATOM 1442 CA SER B 66 22.476 57.332 22.918 1.00 13.19 C ATOM 1443 C SER B 66 20.998 57.122 23.175 1.00 14.24 C ATOM 1444 O SER B 66 20.462 56.063 22.998 1.00 14.32 O ATOM 1445 CB SER B 66 22.722 57.536 21.421 1.00 13.38 C ATOM 1446 OG SER B 66 24.089 57.832 21.171 1.00 13.86 O ATOM 1447 HG SER B 66 24.339 58.660 21.652 1.00 0.00 H ATOM 1448 H SER B 66 23.116 55.250 23.118 1.00 0.00 H ATOM 1449 N THR B 67 20.366 58.226 23.582 1.00 15.44 N ATOM 1450 CA THR B 67 18.908 58.334 23.816 1.00 18.33 C ATOM 1451 C THR B 67 18.526 59.638 23.151 1.00 16.68 C ATOM 1452 O THR B 67 19.068 60.682 23.519 1.00 16.07 O ATOM 1453 CB THR B 67 18.599 58.416 25.334 1.00 21.03 C ATOM 1454 OG1 THR B 67 19.063 57.234 25.988 1.00 22.80 O ATOM 1455 CG2 THR B 67 17.095 58.551 25.596 1.00 22.32 C ATOM 1456 HG1 THR B 67 20.041 57.148 25.857 1.00 0.00 H ATOM 1457 H THR B 67 20.943 59.076 23.747 1.00 0.00 H ATOM 1458 N GLY B 68 17.643 59.598 22.169 1.00 17.96 N ATOM 1459 CA GLY B 68 17.351 60.784 21.375 1.00 18.42 C ATOM 1460 C GLY B 68 18.616 61.338 20.747 1.00 19.62 C ATOM 1461 O GLY B 68 19.389 60.584 20.132 1.00 19.14 O ATOM 1462 H GLY B 68 17.149 58.707 21.960 1.00 0.00 H ATOM 1463 N THR B 69 18.881 62.629 20.928 1.00 18.55 N ATOM 1464 CA THR B 69 20.125 63.199 20.371 1.00 20.05 C ATOM 1465 C THR B 69 21.237 63.303 21.383 1.00 18.96 C ATOM 1466 O THR B 69 22.279 63.908 21.107 1.00 20.78 O ATOM 1467 CB THR B 69 19.874 64.576 19.698 1.00 22.65 C ATOM 1468 OG1 THR B 69 19.269 65.434 20.648 1.00 21.04 O ATOM 1469 CG2 THR B 69 18.960 64.399 18.460 1.00 22.98 C ATOM 1470 HG1 THR B 69 19.102 66.318 20.234 1.00 0.00 H ATOM 1471 H THR B 69 18.218 63.232 21.457 1.00 0.00 H ATOM 1472 N THR B 70 21.059 62.701 22.558 1.00 17.05 N ATOM 1473 CA THR B 70 22.041 62.837 23.622 1.00 16.17 C ATOM 1474 C THR B 70 22.875 61.547 23.724 1.00 15.14 C ATOM 1475 O THR B 70 22.333 60.502 24.028 1.00 13.97 O ATOM 1476 CB THR B 70 21.392 63.106 24.979 1.00 17.66 C ATOM 1477 OG1 THR B 70 20.537 64.260 24.866 1.00 20.34 O ATOM 1478 CG2 THR B 70 22.414 63.380 26.041 1.00 18.95 C ATOM 1479 HG1 THR B 70 19.837 64.086 24.188 1.00 0.00 H ATOM 1480 H THR B 70 20.207 62.126 22.716 1.00 0.00 H ATOM 1481 N THR B 71 24.189 61.684 23.573 1.00 13.50 N ATOM 1482 CA THR B 71 25.101 60.541 23.704 1.00 13.61 C ATOM 1483 C THR B 71 25.924 60.706 24.969 1.00 13.97 C ATOM 1484 O THR B 71 26.552 61.741 25.167 1.00 15.84 O ATOM 1485 CB THR B 71 26.017 60.439 22.478 1.00 14.00 C ATOM 1486 OG1 THR B 71 25.236 60.245 21.285 1.00 13.93 O ATOM 1487 CG2 THR B 71 27.012 59.298 22.635 1.00 14.18 C ATOM 1488 HG1 THR B 71 24.712 59.409 21.368 1.00 0.00 H ATOM 1489 H THR B 71 24.580 62.623 23.357 1.00 0.00 H ATOM 1490 N THR B 72 25.860 59.704 25.845 1.00 12.91 N ATOM 1491 CA THR B 72 26.649 59.629 27.088 1.00 13.38 C ATOM 1492 C THR B 72 27.763 58.598 26.965 1.00 12.23 C ATOM 1493 O THR B 72 27.517 57.479 26.506 1.00 12.81 O ATOM 1494 CB THR B 72 25.758 59.222 28.275 1.00 14.86 C ATOM 1495 OG1 THR B 72 24.669 60.168 28.391 1.00 15.05 O ATOM 1496 CG2 THR B 72 26.494 59.211 29.561 1.00 14.74 C ATOM 1497 HG1 THR B 72 24.138 60.162 27.556 1.00 0.00 H ATOM 1498 H THR B 72 25.208 58.921 25.637 1.00 0.00 H ATOM 1499 N GLU B 73 28.969 58.985 27.338 1.00 11.14 N ATOM 1500 CA GLU B 73 30.120 58.072 27.337 1.00 11.21 C ATOM 1501 C GLU B 73 30.257 57.481 28.728 1.00 11.54 C ATOM 1502 O GLU B 73 30.308 58.247 29.709 1.00 13.22 O ATOM 1503 CB GLU B 73 31.386 58.848 26.966 1.00 10.38 C ATOM 1504 CG GLU B 73 32.679 58.090 27.051 1.00 11.02 C ATOM 1505 CD GLU B 73 33.897 58.989 26.872 1.00 11.66 C ATOM 1506 OE1 GLU B 73 33.990 59.992 27.633 1.00 11.58 O ATOM 1507 OE2 GLU B 73 34.782 58.628 26.074 1.00 10.31 O ATOM 1508 H GLU B 73 29.109 59.969 27.643 1.00 0.00 H ATOM 1509 N TRP B 74 30.380 56.157 28.790 1.00 12.47 N ATOM 1510 CA TRP B 74 30.614 55.405 30.026 1.00 12.34 C ATOM 1511 C TRP B 74 32.014 54.779 29.954 1.00 13.17 C ATOM 1512 O TRP B 74 32.393 54.255 28.894 1.00 13.81 O ATOM 1513 CB TRP B 74 29.548 54.349 30.142 1.00 12.95 C ATOM 1514 CG TRP B 74 28.195 54.940 30.390 1.00 14.29 C ATOM 1515 CD1 TRP B 74 27.216 55.150 29.498 1.00 15.18 C ATOM 1516 CD2 TRP B 74 27.726 55.478 31.642 1.00 17.20 C ATOM 1517 NE1 TRP B 74 26.125 55.762 30.117 1.00 15.79 N ATOM 1518 CE2 TRP B 74 26.425 55.961 31.431 1.00 17.05 C ATOM 1519 CE3 TRP B 74 28.281 55.571 32.931 1.00 19.65 C ATOM 1520 CZ2 TRP B 74 25.674 56.583 32.448 1.00 18.64 C ATOM 1521 CZ3 TRP B 74 27.520 56.159 33.958 1.00 21.22 C ATOM 1522 CH2 TRP B 74 26.231 56.649 33.697 1.00 19.84 C ATOM 1523 HE1 TRP B 74 25.232 56.023 29.653 1.00 0.00 H ATOM 1524 H TRP B 74 30.305 55.620 27.902 1.00 0.00 H ATOM 1525 N CYS B 75 32.747 54.862 31.057 1.00 12.57 N ATOM 1526 CA CYS B 75 34.168 54.550 31.098 1.00 13.30 C ATOM 1527 C CYS B 75 34.447 53.441 32.088 1.00 13.52 C ATOM 1528 O CYS B 75 34.003 53.507 33.246 1.00 14.27 O ATOM 1529 CB CYS B 75 34.989 55.773 31.505 1.00 14.34 C ATOM 1530 SG CYS B 75 34.667 57.277 30.569 1.00 16.56 S ATOM 1531 H CYS B 75 32.283 55.165 31.937 1.00 0.00 H ATOM 1532 N TRP B 76 35.111 52.392 31.621 1.00 12.95 N ATOM 1533 CA TRP B 76 35.693 51.382 32.482 1.00 13.39 C ATOM 1534 C TRP B 76 37.218 51.548 32.454 1.00 14.83 C ATOM 1535 O TRP B 76 37.851 51.476 31.394 1.00 13.46 O ATOM 1536 CB TRP B 76 35.344 49.977 32.043 1.00 14.33 C ATOM 1537 CG TRP B 76 36.051 48.934 32.853 1.00 15.36 C ATOM 1538 CD1 TRP B 76 37.300 48.410 32.637 1.00 15.92 C ATOM 1539 CD2 TRP B 76 35.542 48.301 33.988 1.00 17.03 C ATOM 1540 NE1 TRP B 76 37.601 47.478 33.594 1.00 18.45 N ATOM 1541 CE2 TRP B 76 36.518 47.379 34.431 1.00 17.99 C ATOM 1542 CE3 TRP B 76 34.360 48.424 34.699 1.00 18.21 C ATOM 1543 CZ2 TRP B 76 36.336 46.601 35.548 1.00 19.59 C ATOM 1544 CZ3 TRP B 76 34.171 47.635 35.794 1.00 20.26 C ATOM 1545 CH2 TRP B 76 35.159 46.723 36.207 1.00 21.05 C ATOM 1546 HE1 TRP B 76 38.489 46.942 33.672 1.00 0.00 H ATOM 1547 H TRP B 76 35.219 52.290 30.592 1.00 0.00 H ATOM 1548 N ASP B 77 37.790 51.734 33.633 1.00 16.26 N ATOM 1549 CA ASP B 77 39.248 51.895 33.798 1.00 19.11 C ATOM 1550 C ASP B 77 39.791 51.050 34.962 1.00 22.54 C ATOM 1551 O ASP B 77 40.799 51.407 35.565 1.00 24.70 O ATOM 1552 CB ASP B 77 39.628 53.373 34.006 1.00 19.05 C ATOM 1553 CG ASP B 77 39.138 54.281 32.862 1.00 19.58 C ATOM 1554 OD1 ASP B 77 39.716 54.182 31.772 1.00 16.98 O ATOM 1555 OD2 ASP B 77 38.147 55.028 33.046 1.00 23.56 O ATOM 1556 H ASP B 77 37.186 51.768 34.479 1.00 0.00 H ATOM 1557 N GLY B 78 39.108 49.950 35.249 1.00 23.41 N ATOM 1558 CA GLY B 78 39.558 48.954 36.223 1.00 26.08 C ATOM 1559 C GLY B 78 38.781 48.936 37.536 1.00 28.31 C ATOM 1560 O GLY B 78 38.990 48.033 38.332 1.00 31.19 O ATOM 1561 H GLY B 78 38.206 49.787 34.757 1.00 0.00 H ATOM 1562 N ASN B 79 37.932 49.934 37.751 1.00 28.65 N ATOM 1563 CA ASN B 79 37.253 50.172 39.015 1.00 33.45 C ATOM 1564 C ASN B 79 35.814 50.654 38.890 1.00 31.53 C ATOM 1565 O ASN B 79 35.373 51.536 39.637 1.00 34.39 O ATOM 1566 CB ASN B 79 38.053 51.219 39.832 1.00 34.16 C ATOM 1567 H ASN B 79 37.740 50.588 36.965 1.00 0.00 H ATOM 1568 N GLY B 80 35.071 50.048 37.980 1.00 26.91 N ATOM 1569 CA GLY B 80 33.654 50.358 37.844 1.00 25.54 C ATOM 1570 C GLY B 80 33.409 51.358 36.736 1.00 21.95 C ATOM 1571 O GLY B 80 34.337 51.942 36.170 1.00 22.52 O ATOM 1572 H GLY B 80 35.504 49.340 37.353 1.00 0.00 H ATOM 1573 N TRP B 81 32.143 51.507 36.417 1.00 19.49 N ATOM 1574 CA TRP B 81 31.755 52.307 35.300 1.00 18.68 C ATOM 1575 C TRP B 81 31.481 53.722 35.769 1.00 20.69 C ATOM 1576 O TRP B 81 30.701 53.912 36.703 1.00 21.29 O ATOM 1577 CB TRP B 81 30.548 51.696 34.656 1.00 18.17 C ATOM 1578 CG TRP B 81 30.865 50.422 33.933 1.00 15.59 C ATOM 1579 CD1 TRP B 81 30.708 49.144 34.396 1.00 15.76 C ATOM 1580 CD2 TRP B 81 31.343 50.318 32.606 1.00 14.06 C ATOM 1581 NE1 TRP B 81 31.039 48.238 33.415 1.00 14.80 N ATOM 1582 CE2 TRP B 81 31.436 48.930 32.300 1.00 13.97 C ATOM 1583 CE3 TRP B 81 31.660 51.254 31.620 1.00 13.11 C ATOM 1584 CZ2 TRP B 81 31.879 48.463 31.051 1.00 13.40 C ATOM 1585 CZ3 TRP B 81 32.063 50.811 30.399 1.00 13.51 C ATOM 1586 CH2 TRP B 81 32.181 49.411 30.104 1.00 12.84 C ATOM 1587 HE1 TRP B 81 30.995 47.203 33.504 1.00 0.00 H ATOM 1588 H TRP B 81 31.412 51.035 36.987 1.00 0.00 H ATOM 1589 N THR B 82 32.096 54.706 35.102 1.00 19.28 N ATOM 1590 CA THR B 82 31.892 56.120 35.416 1.00 19.21 C ATOM 1591 C THR B 82 31.572 56.926 34.150 1.00 19.17 C ATOM 1592 O THR B 82 31.918 56.539 33.051 1.00 16.61 O ATOM 1593 CB THR B 82 33.137 56.743 36.037 1.00 20.77 C ATOM 1594 OG1 THR B 82 34.231 56.688 35.097 1.00 23.00 O ATOM 1595 CG2 THR B 82 33.518 55.983 37.272 1.00 22.93 C ATOM 1596 HG1 THR B 82 35.036 57.094 35.506 1.00 0.00 H ATOM 1597 H THR B 82 32.745 54.455 34.329 1.00 0.00 H ATOM 1598 N LYS B 83 30.930 58.060 34.312 1.00 18.08 N ATOM 1599 CA LYS B 83 30.615 58.913 33.184 1.00 18.69 C ATOM 1600 C LYS B 83 31.820 59.689 32.699 1.00 18.60 C ATOM 1601 O LYS B 83 32.599 60.205 33.511 1.00 16.87 O ATOM 1602 CB LYS B 83 29.526 59.885 33.601 1.00 23.40 C ATOM 1603 CG LYS B 83 28.848 60.601 32.480 1.00 27.75 C ATOM 1604 CD LYS B 83 27.519 61.150 33.028 1.00 34.84 C ATOM 1605 CE LYS B 83 26.674 60.078 33.724 1.00 38.50 C ATOM 1606 NZ LYS B 83 25.215 60.332 33.883 1.00 43.61 N ATOM 1607 HZ1 LYS B 83 25.074 61.195 34.445 1.00 0.00 H ATOM 1608 HZ2 LYS B 83 24.781 60.453 32.946 1.00 0.00 H ATOM 1609 HZ3 LYS B 83 24.775 59.525 34.369 1.00 0.00 H ATOM 1610 H LYS B 83 30.642 58.351 35.268 1.00 0.00 H ATOM 1611 N GLY B 84 31.980 59.763 31.382 1.00 15.49 N ATOM 1612 CA GLY B 84 33.107 60.422 30.759 1.00 15.24 C ATOM 1613 C GLY B 84 32.805 61.815 30.300 1.00 14.52 C ATOM 1614 O GLY B 84 31.677 62.255 30.358 1.00 14.50 O ATOM 1615 H GLY B 84 31.261 59.327 30.770 1.00 0.00 H ATOM 1616 N ALA B 85 33.849 62.486 29.838 1.00 15.06 N ATOM 1617 CA ALA B 85 33.785 63.899 29.413 1.00 15.08 C ATOM 1618 C ALA B 85 33.216 64.112 28.015 1.00 14.46 C ATOM 1619 O ALA B 85 32.929 65.253 27.629 1.00 13.92 O ATOM 1620 CB ALA B 85 35.163 64.512 29.477 1.00 16.80 C ATOM 1621 H ALA B 85 34.762 61.992 29.771 1.00 0.00 H ATOM 1622 N TYR B 86 32.974 63.037 27.255 1.00 12.76 N ATOM 1623 CA TYR B 86 32.443 63.188 25.912 1.00 12.20 C ATOM 1624 C TYR B 86 31.212 64.053 25.859 1.00 12.26 C ATOM 1625 O TYR B 86 30.267 63.847 26.628 1.00 13.87 O ATOM 1626 CB TYR B 86 32.059 61.816 25.307 1.00 11.55 C ATOM 1627 CG TYR B 86 31.485 61.870 23.923 1.00 11.53 C ATOM 1628 CD1 TYR B 86 32.281 61.804 22.798 1.00 11.80 C ATOM 1629 CD2 TYR B 86 30.113 61.950 23.728 1.00 12.45 C ATOM 1630 CE1 TYR B 86 31.748 61.910 21.504 1.00 11.96 C ATOM 1631 CE2 TYR B 86 29.566 62.040 22.451 1.00 12.44 C ATOM 1632 CZ TYR B 86 30.391 62.008 21.339 1.00 13.08 C ATOM 1633 OH TYR B 86 29.838 62.107 20.082 1.00 13.07 O ATOM 1634 HH TYR B 86 29.207 61.357 19.940 1.00 0.00 H ATOM 1635 H TYR B 86 33.168 62.086 27.629 1.00 0.00 H ATOM 1636 N THR B 87 31.182 64.924 24.867 1.00 13.42 N ATOM 1637 CA THR B 87 29.997 65.647 24.470 1.00 14.58 C ATOM 1638 C THR B 87 29.880 65.728 22.957 1.00 16.02 C ATOM 1639 O THR B 87 30.877 65.639 22.249 1.00 13.44 O ATOM 1640 CB THR B 87 29.956 67.114 25.022 1.00 15.54 C ATOM 1641 OG1 THR B 87 31.081 67.834 24.509 1.00 14.64 O ATOM 1642 CG2 THR B 87 30.048 67.076 26.521 1.00 16.12 C ATOM 1643 HG1 THR B 87 31.916 67.390 24.800 1.00 0.00 H ATOM 1644 H THR B 87 32.062 65.099 24.342 1.00 0.00 H ATOM 1645 N ALA B 88 28.664 65.996 22.516 1.00 16.99 N ATOM 1646 CA ALA B 88 28.345 66.184 21.127 1.00 24.62 C ATOM 1647 C ALA B 88 28.940 67.457 20.555 1.00 30.63 C ATOM 1648 O ALA B 88 29.234 68.384 21.292 1.00 29.48 O ATOM 1649 CB ALA B 88 26.845 66.308 20.963 1.00 28.30 C ATOM 1650 H ALA B 88 27.895 66.075 23.212 1.00 0.00 H ATOM 1651 N THR B 89 28.978 67.482 19.222 1.00 31.26 N ATOM 1652 CA THR B 89 29.393 68.612 18.427 1.00 30.06 C ATOM 1653 C THR B 89 28.281 69.675 18.442 1.00 32.91 C ATOM 1654 O THR B 89 28.602 70.842 18.163 1.00 32.95 O ATOM 1655 CB THR B 89 29.674 68.144 16.953 1.00 25.77 C ATOM 1656 OG1 THR B 89 30.394 69.145 16.259 1.00 23.38 O ATOM 1657 CG2 THR B 89 28.396 67.881 16.172 1.00 27.22 C ATOM 1658 HG1 THR B 89 31.255 69.310 16.720 1.00 0.00 H ATOM 1659 H THR B 89 28.686 66.621 18.717 1.00 0.00 H TER 1660 THR B 89 ATOM 1661 N SER C 1 14.810 59.843 15.156 1.00 36.71 N ATOM 1662 CA SER C 1 14.596 58.957 16.354 1.00 34.59 C ATOM 1663 C SER C 1 15.841 59.244 17.182 1.00 35.11 C ATOM 1664 O SER C 1 16.233 60.431 17.336 1.00 36.21 O ATOM 1665 HN3 SER C 1 15.692 59.569 14.677 1.00 0.00 H ATOM 1666 HN2 SER C 1 14.876 60.834 15.466 1.00 0.00 H ATOM 1667 HN1 SER C 1 14.010 59.736 14.500 1.00 0.00 H ATOM 1668 N SER C 2 16.503 58.177 17.629 1.00 31.19 N ATOM 1669 CA SER C 2 17.726 58.340 18.353 1.00 29.89 C ATOM 1670 C SER C 2 18.837 58.386 17.299 1.00 25.37 C ATOM 1671 O SER C 2 18.703 57.769 16.237 1.00 25.62 O ATOM 1672 CB SER C 2 17.947 57.216 19.352 1.00 33.90 C ATOM 1673 OG SER C 2 16.943 57.248 20.374 1.00 36.50 O ATOM 1674 HG SER C 2 17.102 56.510 21.015 1.00 0.00 H ATOM 1675 H SER C 2 16.129 57.223 17.451 1.00 0.00 H ATOM 1676 N VAL C 3 19.901 59.093 17.602 1.00 18.08 N ATOM 1677 CA VAL C 3 21.076 59.106 16.716 1.00 15.60 C ATOM 1678 C VAL C 3 21.723 57.736 16.745 1.00 14.70 C ATOM 1679 O VAL C 3 21.379 56.909 17.575 1.00 14.91 O ATOM 1680 CB VAL C 3 22.086 60.160 17.134 1.00 15.47 C ATOM 1681 CG1 VAL C 3 21.478 61.556 17.001 1.00 16.58 C ATOM 1682 CG2 VAL C 3 22.617 59.901 18.525 1.00 16.10 C ATOM 1683 H VAL C 3 19.914 59.651 18.479 1.00 0.00 H ATOM 1684 N GLN C 4 22.659 57.490 15.848 1.00 12.48 N ATOM 1685 CA GLN C 4 23.361 56.210 15.781 1.00 12.29 C ATOM 1686 C GLN C 4 24.854 56.523 15.694 1.00 11.49 C ATOM 1687 O GLN C 4 25.284 57.352 14.911 1.00 11.92 O ATOM 1688 CB GLN C 4 22.873 55.442 14.592 1.00 13.04 C ATOM 1689 CG GLN C 4 23.499 54.077 14.353 1.00 13.27 C ATOM 1690 CD GLN C 4 24.680 54.082 13.406 1.00 15.11 C ATOM 1691 OE1 GLN C 4 24.715 54.851 12.463 1.00 13.43 O ATOM 1692 NE2 GLN C 4 25.669 53.210 13.676 1.00 16.60 N ATOM 1693 HE22 GLN C 4 25.592 52.573 14.495 1.00 0.00 H ATOM 1694 HE21 GLN C 4 26.511 53.173 13.066 1.00 0.00 H ATOM 1695 H GLN C 4 22.906 58.234 15.164 1.00 0.00 H ATOM 1696 N THR C 5 25.639 55.810 16.495 1.00 10.94 N ATOM 1697 CA THR C 5 27.070 56.056 16.564 1.00 10.17 C ATOM 1698 C THR C 5 27.917 54.842 16.206 1.00 9.92 C ATOM 1699 O THR C 5 27.467 53.675 16.220 1.00 10.24 O ATOM 1700 CB THR C 5 27.512 56.579 17.956 1.00 10.58 C ATOM 1701 OG1 THR C 5 27.479 55.515 18.920 1.00 11.36 O ATOM 1702 CG2 THR C 5 26.604 57.743 18.414 1.00 10.60 C ATOM 1703 HG1 THR C 5 28.094 54.793 18.635 1.00 0.00 H ATOM 1704 H THR C 5 25.221 55.061 17.084 1.00 0.00 H ATOM 1705 N ALA C 6 29.176 55.131 15.957 1.00 9.48 N ATOM 1706 CA ALA C 6 30.228 54.118 15.741 1.00 9.70 C ATOM 1707 C ALA C 6 31.507 54.698 16.309 1.00 9.38 C ATOM 1708 O ALA C 6 31.712 55.904 16.268 1.00 9.95 O ATOM 1709 CB ALA C 6 30.393 53.860 14.248 1.00 9.55 C ATOM 1710 H ALA C 6 29.447 56.134 15.909 1.00 0.00 H ATOM 1711 N ALA C 7 32.391 53.848 16.815 1.00 9.59 N ATOM 1712 CA ALA C 7 33.604 54.308 17.477 1.00 9.24 C ATOM 1713 C ALA C 7 34.788 53.446 17.144 1.00 9.20 C ATOM 1714 O ALA C 7 34.673 52.257 16.918 1.00 8.13 O ATOM 1715 CB ALA C 7 33.433 54.318 18.977 1.00 9.90 C ATOM 1716 H ALA C 7 32.213 52.826 16.737 1.00 0.00 H ATOM 1717 N THR C 8 35.943 54.084 17.145 1.00 8.99 N ATOM 1718 CA THR C 8 37.222 53.388 16.975 1.00 8.88 C ATOM 1719 C THR C 8 38.291 54.119 17.822 1.00 8.62 C ATOM 1720 O THR C 8 38.113 55.276 18.245 1.00 9.05 O ATOM 1721 CB THR C 8 37.642 53.307 15.477 1.00 9.30 C ATOM 1722 OG1 THR C 8 38.689 52.338 15.321 1.00 10.52 O ATOM 1723 CG2 THR C 8 38.105 54.646 14.889 1.00 10.09 C ATOM 1724 HG1 THR C 8 38.364 51.452 15.620 1.00 0.00 H ATOM 1725 H THR C 8 35.946 55.116 17.271 1.00 0.00 H ATOM 1726 N SER C 9 39.388 53.448 18.087 1.00 8.82 N ATOM 1727 CA SER C 9 40.460 54.032 18.889 1.00 9.59 C ATOM 1728 C SER C 9 41.744 53.366 18.512 1.00 9.23 C ATOM 1729 O SER C 9 41.734 52.250 17.977 1.00 9.64 O ATOM 1730 CB SER C 9 40.240 53.844 20.422 1.00 10.18 C ATOM 1731 OG SER C 9 40.074 52.507 20.833 1.00 10.55 O ATOM 1732 HG SER C 9 39.284 52.119 20.380 1.00 0.00 H ATOM 1733 H SER C 9 39.496 52.481 17.719 1.00 0.00 H ATOM 1734 N TRP C 10 42.826 53.993 18.906 1.00 9.29 N ATOM 1735 CA TRP C 10 44.160 53.414 18.662 1.00 9.67 C ATOM 1736 C TRP C 10 45.224 53.952 19.595 1.00 10.29 C ATOM 1737 O TRP C 10 45.087 55.039 20.173 1.00 10.48 O ATOM 1738 CB TRP C 10 44.607 53.642 17.230 1.00 10.21 C ATOM 1739 CG TRP C 10 44.797 55.085 16.810 1.00 10.03 C ATOM 1740 CD1 TRP C 10 45.943 55.822 16.899 1.00 10.49 C ATOM 1741 CD2 TRP C 10 43.793 55.984 16.305 1.00 9.93 C ATOM 1742 NE1 TRP C 10 45.723 57.098 16.399 1.00 11.17 N ATOM 1743 CE2 TRP C 10 44.418 57.220 16.034 1.00 9.95 C ATOM 1744 CE3 TRP C 10 42.442 55.837 15.973 1.00 10.07 C ATOM 1745 CZ2 TRP C 10 43.728 58.319 15.496 1.00 10.01 C ATOM 1746 CZ3 TRP C 10 41.770 56.947 15.427 1.00 9.65 C ATOM 1747 CH2 TRP C 10 42.400 58.153 15.229 1.00 9.91 C ATOM 1748 HE1 TRP C 10 46.443 57.844 16.316 1.00 0.00 H ATOM 1749 H TRP C 10 42.743 54.907 19.395 1.00 0.00 H ATOM 1750 N GLY C 11 46.278 53.160 19.744 1.00 10.73 N ATOM 1751 CA GLY C 11 47.369 53.443 20.694 1.00 12.96 C ATOM 1752 C GLY C 11 46.932 53.382 22.151 1.00 13.54 C ATOM 1753 O GLY C 11 45.906 52.793 22.480 1.00 13.05 O ATOM 1754 H GLY C 11 46.337 52.299 19.163 1.00 0.00 H ATOM 1755 N THR C 12 47.710 54.031 23.007 1.00 13.38 N ATOM 1756 CA THR C 12 47.524 53.966 24.439 1.00 15.24 C ATOM 1757 C THR C 12 47.247 55.306 25.109 1.00 15.10 C ATOM 1758 O THR C 12 46.960 55.338 26.299 1.00 16.78 O ATOM 1759 CB THR C 12 48.749 53.324 25.150 1.00 18.23 C ATOM 1760 OG1 THR C 12 49.917 54.072 24.800 1.00 21.18 O ATOM 1761 CG2 THR C 12 48.923 51.892 24.714 1.00 19.45 C ATOM 1762 HG1 THR C 12 50.042 54.046 23.818 1.00 0.00 H ATOM 1763 H THR C 12 48.487 54.611 22.632 1.00 0.00 H ATOM 1764 N VAL C 13 47.262 56.399 24.357 1.00 15.13 N ATOM 1765 CA VAL C 13 46.836 57.719 24.924 1.00 15.43 C ATOM 1766 C VAL C 13 45.411 57.684 25.502 1.00 14.82 C ATOM 1767 O VAL C 13 45.259 58.053 26.688 1.00 14.86 O ATOM 1768 CB VAL C 13 46.997 58.869 23.934 1.00 16.05 C ATOM 1769 CG1 VAL C 13 46.469 60.162 24.554 1.00 16.33 C ATOM 1770 CG2 VAL C 13 48.468 59.026 23.544 1.00 18.08 C ATOM 1771 H VAL C 13 47.572 56.339 23.366 1.00 0.00 H ATOM 1772 N PRO C 14 44.389 57.221 24.766 1.00 11.98 N ATOM 1773 CA PRO C 14 44.402 56.805 23.366 1.00 11.16 C ATOM 1774 C PRO C 14 43.920 57.938 22.483 1.00 11.38 C ATOM 1775 O PRO C 14 43.562 58.984 23.047 1.00 11.40 O ATOM 1776 CB PRO C 14 43.322 55.729 23.345 1.00 11.87 C ATOM 1777 CG PRO C 14 42.281 56.303 24.239 1.00 11.67 C ATOM 1778 CD PRO C 14 43.046 57.000 25.345 1.00 12.18 C ATOM 1779 N SER C 15 43.911 57.740 21.150 1.00 9.85 N ATOM 1780 CA SER C 15 43.070 58.548 20.264 1.00 9.71 C ATOM 1781 C SER C 15 41.754 57.793 20.110 1.00 9.29 C ATOM 1782 O SER C 15 41.756 56.579 19.945 1.00 9.74 O ATOM 1783 CB SER C 15 43.721 58.761 18.887 1.00 10.55 C ATOM 1784 OG SER C 15 44.741 59.733 18.971 1.00 11.43 O ATOM 1785 HG SER C 15 45.432 59.430 19.612 1.00 0.00 H ATOM 1786 H SER C 15 44.514 56.998 20.742 1.00 0.00 H ATOM 1787 N ILE C 16 40.651 58.516 20.116 1.00 8.94 N ATOM 1788 CA ILE C 16 39.300 57.971 19.917 1.00 9.01 C ATOM 1789 C ILE C 16 38.608 58.820 18.857 1.00 8.76 C ATOM 1790 O ILE C 16 38.781 60.021 18.858 1.00 8.41 O ATOM 1791 CB ILE C 16 38.420 58.028 21.195 1.00 9.48 C ATOM 1792 CG1 ILE C 16 39.117 57.360 22.391 1.00 10.33 C ATOM 1793 CG2 ILE C 16 37.087 57.324 20.949 1.00 10.20 C ATOM 1794 CD1 ILE C 16 38.372 57.526 23.704 1.00 11.49 C ATOM 1795 H ILE C 16 40.743 59.540 20.272 1.00 0.00 H ATOM 1796 N ARG C 17 37.874 58.175 17.945 1.00 8.42 N ATOM 1797 CA ARG C 17 37.012 58.856 17.013 1.00 8.68 C ATOM 1798 C ARG C 17 35.618 58.298 17.131 1.00 8.80 C ATOM 1799 O ARG C 17 35.439 57.059 17.100 1.00 8.81 O ATOM 1800 CB ARG C 17 37.526 58.749 15.564 1.00 8.95 C ATOM 1801 CG ARG C 17 38.920 59.314 15.320 1.00 9.15 C ATOM 1802 CD ARG C 17 38.936 60.826 15.423 1.00 9.67 C ATOM 1803 NE ARG C 17 40.282 61.415 15.201 1.00 9.29 N ATOM 1804 CZ ARG C 17 41.229 61.550 16.116 1.00 10.00 C ATOM 1805 NH1 ARG C 17 41.028 61.196 17.375 1.00 10.37 N ATOM 1806 NH2 ARG C 17 42.401 62.084 15.771 1.00 11.19 N ATOM 1807 HE ARG C 17 40.499 61.751 14.241 1.00 0.00 H ATOM 1808 HH12 ARG C 17 41.788 61.312 18.075 1.00 0.00 H ATOM 1809 HH11 ARG C 17 40.110 60.802 17.664 1.00 0.00 H ATOM 1810 HH22 ARG C 17 43.152 62.194 16.482 1.00 0.00 H ATOM 1811 HH21 ARG C 17 42.565 62.390 14.791 1.00 0.00 H ATOM 1812 H ARG C 17 37.927 57.137 17.907 1.00 0.00 H ATOM 1813 N VAL C 18 34.635 59.185 17.314 1.00 8.33 N ATOM 1814 CA VAL C 18 33.215 58.764 17.460 1.00 9.24 C ATOM 1815 C VAL C 18 32.448 59.439 16.344 1.00 8.93 C ATOM 1816 O VAL C 18 32.455 60.679 16.206 1.00 9.29 O ATOM 1817 CB VAL C 18 32.599 59.118 18.838 1.00 9.72 C ATOM 1818 CG1 VAL C 18 31.129 58.696 18.918 1.00 10.33 C ATOM 1819 CG2 VAL C 18 33.408 58.500 19.978 1.00 9.88 C ATOM 1820 H VAL C 18 34.869 60.197 17.356 1.00 0.00 H ATOM 1821 N TYR C 19 31.786 58.624 15.539 1.00 8.89 N ATOM 1822 CA TYR C 19 31.004 59.100 14.375 1.00 9.48 C ATOM 1823 C TYR C 19 29.529 59.014 14.748 1.00 9.34 C ATOM 1824 O TYR C 19 29.086 57.996 15.277 1.00 9.74 O ATOM 1825 CB TYR C 19 31.331 58.235 13.088 1.00 9.64 C ATOM 1826 CG TYR C 19 32.789 58.298 12.737 1.00 9.06 C ATOM 1827 CD1 TYR C 19 33.707 57.451 13.359 1.00 9.20 C ATOM 1828 CD2 TYR C 19 33.274 59.296 11.922 1.00 9.54 C ATOM 1829 CE1 TYR C 19 35.037 57.571 13.144 1.00 9.26 C ATOM 1830 CE2 TYR C 19 34.634 59.429 11.696 1.00 9.63 C ATOM 1831 CZ TYR C 19 35.525 58.595 12.346 1.00 9.63 C ATOM 1832 OH TYR C 19 36.899 58.738 12.141 1.00 9.79 O ATOM 1833 HH TYR C 19 37.180 59.647 12.416 1.00 0.00 H ATOM 1834 H TYR C 19 31.816 57.603 15.732 1.00 0.00 H ATOM 1835 N THR C 20 28.759 60.069 14.461 1.00 9.54 N ATOM 1836 CA THR C 20 27.335 60.103 14.784 1.00 9.62 C ATOM 1837 C THR C 20 26.534 60.425 13.517 1.00 10.51 C ATOM 1838 O THR C 20 26.765 61.471 12.908 1.00 10.87 O ATOM 1839 CB THR C 20 27.028 61.172 15.857 1.00 10.67 C ATOM 1840 OG1 THR C 20 27.745 60.897 17.071 1.00 10.81 O ATOM 1841 CG2 THR C 20 25.571 61.238 16.158 1.00 11.04 C ATOM 1842 HG1 THR C 20 27.534 61.593 17.743 1.00 0.00 H ATOM 1843 H THR C 20 29.188 60.892 13.992 1.00 0.00 H ATOM 1844 N ALA C 21 25.591 59.544 13.184 1.00 11.81 N ATOM 1845 CA ALA C 21 24.593 59.787 12.154 1.00 12.11 C ATOM 1846 C ALA C 21 23.366 60.429 12.790 1.00 13.19 C ATOM 1847 O ALA C 21 22.764 59.854 13.673 1.00 12.56 O ATOM 1848 CB ALA C 21 24.204 58.492 11.464 1.00 12.28 C ATOM 1849 H ALA C 21 25.567 58.634 13.687 1.00 0.00 H ATOM 1850 N ASN C 22 23.037 61.624 12.357 1.00 15.10 N ATOM 1851 CA ASN C 22 21.913 62.413 12.952 1.00 16.39 C ATOM 1852 C ASN C 22 21.231 63.187 11.835 1.00 18.29 C ATOM 1853 O ASN C 22 21.867 64.011 11.158 1.00 18.03 O ATOM 1854 CB ASN C 22 22.451 63.354 14.021 1.00 17.36 C ATOM 1855 CG ASN C 22 21.373 64.227 14.643 1.00 20.32 C ATOM 1856 OD1 ASN C 22 20.185 63.941 14.544 1.00 22.44 O ATOM 1857 ND2 ASN C 22 21.794 65.256 15.336 1.00 25.14 N ATOM 1858 HD22 ASN C 22 22.812 65.463 15.394 1.00 0.00 H ATOM 1859 HD21 ASN C 22 21.111 65.866 15.828 1.00 0.00 H ATOM 1860 H ASN C 22 23.578 62.038 11.571 1.00 0.00 H ATOM 1861 N ASN C 23 19.969 62.870 11.610 1.00 21.15 N ATOM 1862 CA ASN C 23 19.162 63.517 10.604 1.00 21.84 C ATOM 1863 C ASN C 23 19.788 63.539 9.201 1.00 21.41 C ATOM 1864 O ASN C 23 19.815 64.577 8.527 1.00 19.87 O ATOM 1865 CB ASN C 23 18.823 64.931 11.060 1.00 27.08 C ATOM 1866 CG ASN C 23 17.502 65.402 10.497 1.00 35.95 C ATOM 1867 OD1 ASN C 23 16.674 64.611 9.987 1.00 36.88 O ATOM 1868 ND2 ASN C 23 17.289 66.695 10.576 1.00 38.78 N ATOM 1869 HD22 ASN C 23 18.004 67.314 11.008 1.00 0.00 H ATOM 1870 HD21 ASN C 23 16.405 67.100 10.207 1.00 0.00 H ATOM 1871 H ASN C 23 19.537 62.119 12.185 1.00 0.00 H ATOM 1872 N GLY C 24 20.395 62.424 8.816 1.00 17.55 N ATOM 1873 CA GLY C 24 21.002 62.301 7.488 1.00 16.83 C ATOM 1874 C GLY C 24 22.417 62.813 7.309 1.00 16.10 C ATOM 1875 O GLY C 24 22.949 62.785 6.207 1.00 16.57 O ATOM 1876 H GLY C 24 20.441 61.618 9.472 1.00 0.00 H ATOM 1877 N LYS C 25 23.045 63.256 8.381 1.00 14.61 N ATOM 1878 CA LYS C 25 24.433 63.727 8.321 1.00 15.45 C ATOM 1879 C LYS C 25 25.301 63.003 9.350 1.00 13.57 C ATOM 1880 O LYS C 25 24.862 62.808 10.447 1.00 12.91 O ATOM 1881 CB LYS C 25 24.507 65.204 8.641 1.00 18.13 C ATOM 1882 CG LYS C 25 23.648 65.996 7.645 1.00 23.49 C ATOM 1883 CD LYS C 25 23.678 67.494 7.819 1.00 30.16 C ATOM 1884 CE LYS C 25 22.731 68.224 6.851 1.00 32.53 C ATOM 1885 NZ LYS C 25 21.371 67.600 6.757 1.00 35.50 N ATOM 1886 HZ1 LYS C 25 21.463 66.620 6.422 1.00 0.00 H ATOM 1887 HZ2 LYS C 25 20.922 67.606 7.695 1.00 0.00 H ATOM 1888 HZ3 LYS C 25 20.787 68.143 6.089 1.00 0.00 H ATOM 1889 H LYS C 25 22.543 63.272 9.292 1.00 0.00 H ATOM 1890 N ILE C 26 26.511 62.660 8.948 1.00 12.91 N ATOM 1891 CA ILE C 26 27.475 62.025 9.841 1.00 12.96 C ATOM 1892 C ILE C 26 28.545 63.045 10.147 1.00 13.33 C ATOM 1893 O ILE C 26 29.162 63.626 9.235 1.00 14.39 O ATOM 1894 CB ILE C 26 28.132 60.771 9.243 1.00 13.41 C ATOM 1895 CG1 ILE C 26 27.067 59.729 8.943 1.00 13.58 C ATOM 1896 CG2 ILE C 26 29.159 60.177 10.220 1.00 14.10 C ATOM 1897 CD1 ILE C 26 27.535 58.711 7.938 1.00 14.63 C ATOM 1898 H ILE C 26 26.786 62.848 7.963 1.00 0.00 H ATOM 1899 N THR C 27 28.778 63.227 11.433 1.00 11.82 N ATOM 1900 CA THR C 27 29.855 64.102 11.926 1.00 11.99 C ATOM 1901 C THR C 27 30.743 63.308 12.872 1.00 10.67 C ATOM 1902 O THR C 27 30.404 62.177 13.288 1.00 9.88 O ATOM 1903 CB THR C 27 29.298 65.329 12.671 1.00 13.21 C ATOM 1904 OG1 THR C 27 28.434 64.891 13.724 1.00 13.93 O ATOM 1905 CG2 THR C 27 28.513 66.236 11.691 1.00 14.15 C ATOM 1906 HG1 THR C 27 27.686 64.368 13.340 1.00 0.00 H ATOM 1907 H THR C 27 28.178 62.734 12.125 1.00 0.00 H ATOM 1908 N GLU C 28 31.864 63.897 13.226 1.00 9.21 N ATOM 1909 CA GLU C 28 32.954 63.201 13.914 1.00 10.11 C ATOM 1910 C GLU C 28 33.420 63.985 15.127 1.00 10.01 C ATOM 1911 O GLU C 28 33.643 65.174 15.030 1.00 10.53 O ATOM 1912 CB GLU C 28 34.138 63.008 12.928 1.00 10.66 C ATOM 1913 CG GLU C 28 35.391 62.308 13.469 1.00 10.95 C ATOM 1914 CD GLU C 28 36.576 62.431 12.506 1.00 11.07 C ATOM 1915 OE1 GLU C 28 36.785 63.530 11.931 1.00 11.16 O ATOM 1916 OE2 GLU C 28 37.341 61.433 12.342 1.00 11.51 O ATOM 1917 H GLU C 28 31.983 64.907 13.007 1.00 0.00 H ATOM 1918 N ARG C 29 33.523 63.311 16.287 1.00 10.25 N ATOM 1919 CA ARG C 29 34.117 63.887 17.499 1.00 9.77 C ATOM 1920 C ARG C 29 35.388 63.147 17.822 1.00 10.07 C ATOM 1921 O ARG C 29 35.467 61.906 17.630 1.00 10.62 O ATOM 1922 CB ARG C 29 33.126 63.891 18.657 1.00 10.00 C ATOM 1923 CG ARG C 29 31.911 64.800 18.450 1.00 10.12 C ATOM 1924 CD ARG C 29 32.283 66.266 18.628 1.00 10.73 C ATOM 1925 NE ARG C 29 32.374 66.630 20.020 1.00 11.17 N ATOM 1926 CZ ARG C 29 32.818 67.805 20.487 1.00 12.27 C ATOM 1927 NH1 ARG C 29 33.305 68.735 19.657 1.00 11.64 N ATOM 1928 NH2 ARG C 29 32.829 68.030 21.816 1.00 11.67 N ATOM 1929 HE ARG C 29 32.070 65.923 20.719 1.00 0.00 H ATOM 1930 HH12 ARG C 29 33.646 69.642 20.035 1.00 0.00 H ATOM 1931 HH11 ARG C 29 33.343 68.551 18.634 1.00 0.00 H ATOM 1932 HH22 ARG C 29 33.172 68.939 22.187 1.00 0.00 H ATOM 1933 HH21 ARG C 29 32.494 67.294 22.471 1.00 0.00 H ATOM 1934 H ARG C 29 33.165 62.335 16.327 1.00 0.00 H ATOM 1935 N CYS C 30 36.391 63.880 18.277 1.00 9.87 N ATOM 1936 CA CYS C 30 37.754 63.382 18.386 1.00 9.96 C ATOM 1937 C CYS C 30 38.389 63.656 19.731 1.00 9.90 C ATOM 1938 O CYS C 30 38.188 64.737 20.320 1.00 9.21 O ATOM 1939 CB CYS C 30 38.672 64.024 17.331 1.00 10.77 C ATOM 1940 SG CYS C 30 38.028 64.118 15.677 1.00 12.24 S ATOM 1941 H CYS C 30 36.196 64.858 18.571 1.00 0.00 H ATOM 1942 N TRP C 31 39.146 62.673 20.208 1.00 10.03 N ATOM 1943 CA TRP C 31 39.905 62.759 21.457 1.00 10.29 C ATOM 1944 C TRP C 31 41.328 62.314 21.153 1.00 11.00 C ATOM 1945 O TRP C 31 41.522 61.217 20.616 1.00 10.70 O ATOM 1946 CB TRP C 31 39.317 61.830 22.505 1.00 10.93 C ATOM 1947 CG TRP C 31 40.109 61.773 23.803 1.00 11.51 C ATOM 1948 CD1 TRP C 31 41.124 60.914 24.106 1.00 11.91 C ATOM 1949 CD2 TRP C 31 39.966 62.655 24.939 1.00 11.56 C ATOM 1950 NE1 TRP C 31 41.603 61.184 25.407 1.00 12.93 N ATOM 1951 CE2 TRP C 31 40.890 62.242 25.921 1.00 11.60 C ATOM 1952 CE3 TRP C 31 39.080 63.686 25.241 1.00 11.47 C ATOM 1953 CZ2 TRP C 31 41.006 62.890 27.154 1.00 12.73 C ATOM 1954 CZ3 TRP C 31 39.181 64.313 26.477 1.00 12.18 C ATOM 1955 CH2 TRP C 31 40.147 63.919 27.409 1.00 12.06 C ATOM 1956 HE1 TRP C 31 42.365 60.670 25.894 1.00 0.00 H ATOM 1957 H TRP C 31 39.202 61.790 19.661 1.00 0.00 H ATOM 1958 N ASP C 32 42.288 63.179 21.457 1.00 11.85 N ATOM 1959 CA ASP C 32 43.713 62.845 21.382 1.00 12.68 C ATOM 1960 C ASP C 32 44.448 63.088 22.733 1.00 13.56 C ATOM 1961 O ASP C 32 45.653 63.262 22.719 1.00 15.50 O ATOM 1962 CB ASP C 32 44.380 63.640 20.264 1.00 12.94 C ATOM 1963 CG ASP C 32 43.787 63.380 18.884 1.00 13.80 C ATOM 1964 OD1 ASP C 32 43.629 62.188 18.499 1.00 13.90 O ATOM 1965 OD2 ASP C 32 43.600 64.375 18.099 1.00 15.83 O ATOM 1966 H ASP C 32 42.017 64.136 21.762 1.00 0.00 H ATOM 1967 N GLY C 33 43.725 63.101 23.853 1.00 12.85 N ATOM 1968 CA GLY C 33 44.273 63.192 25.164 1.00 13.60 C ATOM 1969 C GLY C 33 44.076 64.537 25.879 1.00 14.93 C ATOM 1970 O GLY C 33 44.379 64.621 27.058 1.00 14.31 O ATOM 1971 H GLY C 33 42.691 63.041 23.763 1.00 0.00 H ATOM 1972 N LYS C 34 43.559 65.554 25.172 1.00 14.77 N ATOM 1973 CA LYS C 34 43.546 66.951 25.680 1.00 15.42 C ATOM 1974 C LYS C 34 42.198 67.679 25.509 1.00 15.88 C ATOM 1975 O LYS C 34 42.155 68.886 25.490 1.00 17.46 O ATOM 1976 CB LYS C 34 44.659 67.758 25.014 1.00 17.89 C ATOM 1977 CG LYS C 34 46.038 67.242 25.411 1.00 21.30 C ATOM 1978 CD LYS C 34 47.140 68.275 25.368 1.00 25.97 C ATOM 1979 CE LYS C 34 48.410 67.752 26.018 1.00 28.13 C ATOM 1980 NZ LYS C 34 49.265 67.257 24.930 1.00 30.31 N ATOM 1981 HZ1 LYS C 34 48.770 66.499 24.419 1.00 0.00 H ATOM 1982 HZ2 LYS C 34 49.477 68.037 24.275 1.00 0.00 H ATOM 1983 HZ3 LYS C 34 50.151 66.887 25.328 1.00 0.00 H ATOM 1984 H LYS C 34 43.153 65.358 24.235 1.00 0.00 H ATOM 1985 N GLY C 35 41.123 66.920 25.422 1.00 13.39 N ATOM 1986 CA GLY C 35 39.783 67.446 25.228 1.00 13.14 C ATOM 1987 C GLY C 35 39.140 67.065 23.897 1.00 12.03 C ATOM 1988 O GLY C 35 39.814 66.851 22.893 1.00 13.30 O ATOM 1989 H GLY C 35 41.241 65.889 25.496 1.00 0.00 H ATOM 1990 N TRP C 36 37.815 66.913 23.907 1.00 10.77 N ATOM 1991 CA TRP C 36 37.077 66.523 22.708 1.00 10.49 C ATOM 1992 C TRP C 36 36.986 67.715 21.762 1.00 10.58 C ATOM 1993 O TRP C 36 36.822 68.874 22.192 1.00 10.69 O ATOM 1994 CB TRP C 36 35.672 66.011 23.089 1.00 9.46 C ATOM 1995 CG TRP C 36 35.684 64.707 23.727 1.00 9.38 C ATOM 1996 CD1 TRP C 36 35.730 64.431 25.071 1.00 9.65 C ATOM 1997 CD2 TRP C 36 35.702 63.424 23.058 1.00 9.39 C ATOM 1998 NE1 TRP C 36 35.796 63.081 25.274 1.00 10.60 N ATOM 1999 CE2 TRP C 36 35.758 62.434 24.057 1.00 9.39 C ATOM 2000 CE3 TRP C 36 35.687 63.035 21.720 1.00 9.41 C ATOM 2001 CZ2 TRP C 36 35.814 61.061 23.754 1.00 9.41 C ATOM 2002 CZ3 TRP C 36 35.721 61.664 21.403 1.00 9.53 C ATOM 2003 CH2 TRP C 36 35.774 60.702 22.431 1.00 9.22 C ATOM 2004 HE1 TRP C 36 35.864 62.615 26.201 1.00 0.00 H ATOM 2005 H TRP C 36 37.293 67.076 24.792 1.00 0.00 H ATOM 2006 N TYR C 37 37.079 67.451 20.459 1.00 9.69 N ATOM 2007 CA TYR C 37 36.883 68.470 19.416 1.00 10.09 C ATOM 2008 C TYR C 37 36.152 67.874 18.214 1.00 10.90 C ATOM 2009 O TYR C 37 35.996 66.622 18.136 1.00 9.80 O ATOM 2010 CB TYR C 37 38.240 69.080 19.026 1.00 10.27 C ATOM 2011 CG TYR C 37 39.220 68.128 18.361 1.00 10.09 C ATOM 2012 CD1 TYR C 37 40.089 67.336 19.107 1.00 11.38 C ATOM 2013 CD2 TYR C 37 39.283 68.020 16.976 1.00 11.65 C ATOM 2014 CE1 TYR C 37 40.988 66.454 18.487 1.00 12.41 C ATOM 2015 CE2 TYR C 37 40.175 67.143 16.357 1.00 11.45 C ATOM 2016 CZ TYR C 37 41.028 66.372 17.126 1.00 11.45 C ATOM 2017 OH TYR C 37 41.884 65.466 16.503 1.00 13.15 O ATOM 2018 HH TYR C 37 42.423 64.998 17.189 1.00 0.00 H ATOM 2019 H TYR C 37 37.301 66.478 20.165 1.00 0.00 H ATOM 2020 N THR C 38 35.709 68.729 17.306 1.00 10.71 N ATOM 2021 CA THR C 38 34.997 68.298 16.098 1.00 10.66 C ATOM 2022 C THR C 38 35.985 68.017 14.987 1.00 11.19 C ATOM 2023 O THR C 38 36.826 68.852 14.644 1.00 10.22 O ATOM 2024 CB THR C 38 33.955 69.321 15.703 1.00 11.32 C ATOM 2025 OG1 THR C 38 32.961 69.389 16.751 1.00 11.32 O ATOM 2026 CG2 THR C 38 33.247 68.958 14.383 1.00 11.47 C ATOM 2027 HG1 THR C 38 32.271 70.055 16.507 1.00 0.00 H ATOM 2028 H THR C 38 35.872 69.745 17.455 1.00 0.00 H ATOM 2029 N GLY C 39 35.921 66.806 14.460 1.00 11.31 N ATOM 2030 CA GLY C 39 36.809 66.405 13.387 1.00 11.64 C ATOM 2031 C GLY C 39 36.431 66.901 11.995 1.00 11.63 C ATOM 2032 O GLY C 39 35.333 67.403 11.760 1.00 11.73 O ATOM 2033 H GLY C 39 35.220 66.128 14.822 1.00 0.00 H ATOM 2034 N ALA C 40 37.353 66.661 11.079 1.00 11.30 N ATOM 2035 CA ALA C 40 37.178 67.018 9.656 1.00 12.30 C ATOM 2036 C ALA C 40 36.139 66.207 8.892 1.00 12.75 C ATOM 2037 O ALA C 40 35.614 66.663 7.888 1.00 13.98 O ATOM 2038 CB ALA C 40 38.515 66.957 8.932 1.00 11.71 C ATOM 2039 H ALA C 40 38.239 66.202 11.372 1.00 0.00 H ATOM 2040 N PHE C 41 35.804 65.026 9.379 1.00 12.40 N ATOM 2041 CA PHE C 41 34.857 64.177 8.672 1.00 12.59 C ATOM 2042 C PHE C 41 33.420 64.711 8.720 1.00 13.46 C ATOM 2043 O PHE C 41 32.848 64.878 9.764 1.00 12.80 O ATOM 2044 CB PHE C 41 34.853 62.758 9.216 1.00 12.34 C ATOM 2045 CG PHE C 41 33.996 61.843 8.411 1.00 12.98 C ATOM 2046 CD1 PHE C 41 34.470 61.321 7.276 1.00 14.26 C ATOM 2047 CD2 PHE C 41 32.682 61.602 8.750 1.00 14.22 C ATOM 2048 CE1 PHE C 41 33.682 60.474 6.490 1.00 15.36 C ATOM 2049 CE2 PHE C 41 31.858 60.815 7.959 1.00 14.42 C ATOM 2050 CZ PHE C 41 32.380 60.218 6.835 1.00 14.28 C ATOM 2051 H PHE C 41 36.220 64.700 10.275 1.00 0.00 H ATOM 2052 N ASN C 42 32.836 64.930 7.552 1.00 14.50 N ATOM 2053 CA ASN C 42 31.439 65.417 7.458 1.00 16.49 C ATOM 2054 C ASN C 42 30.877 64.896 6.173 1.00 17.02 C ATOM 2055 O ASN C 42 31.218 65.433 5.114 1.00 17.87 O ATOM 2056 CB ASN C 42 31.428 66.961 7.347 1.00 20.74 C ATOM 2057 CG ASN C 42 31.337 67.684 8.640 1.00 21.42 C ATOM 2058 OD1 ASN C 42 32.364 68.021 9.217 1.00 26.11 O ATOM 2059 ND2 ASN C 42 30.123 68.075 9.028 1.00 22.00 N ATOM 2060 HD22 ASN C 42 29.283 67.760 8.503 1.00 0.00 H ATOM 2061 HD21 ASN C 42 30.016 68.695 9.856 1.00 0.00 H ATOM 2062 H ASN C 42 33.371 64.756 6.678 1.00 0.00 H ATOM 2063 N GLU C 43 30.046 63.868 6.199 1.00 15.39 N ATOM 2064 CA GLU C 43 29.446 63.326 4.973 1.00 16.56 C ATOM 2065 C GLU C 43 28.019 62.872 5.218 1.00 16.34 C ATOM 2066 O GLU C 43 27.631 62.604 6.351 1.00 15.17 O ATOM 2067 CB GLU C 43 30.277 62.167 4.395 1.00 18.10 C ATOM 2068 CG GLU C 43 31.694 62.494 3.982 1.00 18.77 C ATOM 2069 CD GLU C 43 31.806 63.493 2.851 1.00 21.29 C ATOM 2070 OE1 GLU C 43 30.808 63.797 2.153 1.00 23.48 O ATOM 2071 OE2 GLU C 43 32.931 64.021 2.676 1.00 23.56 O ATOM 2072 H GLU C 43 29.811 63.431 7.113 1.00 0.00 H ATOM 2073 N PRO C 44 27.214 62.799 4.150 1.00 16.70 N ATOM 2074 CA PRO C 44 25.826 62.354 4.386 1.00 16.69 C ATOM 2075 C PRO C 44 25.744 60.885 4.759 1.00 15.25 C ATOM 2076 O PRO C 44 26.595 60.090 4.390 1.00 14.24 O ATOM 2077 CB PRO C 44 25.116 62.591 3.058 1.00 18.67 C ATOM 2078 CG PRO C 44 26.143 63.039 2.106 1.00 19.61 C ATOM 2079 CD PRO C 44 27.465 63.215 2.768 1.00 18.34 C ATOM 2080 N GLY C 45 24.722 60.571 5.516 1.00 14.60 N ATOM 2081 CA GLY C 45 24.430 59.196 5.886 1.00 15.48 C ATOM 2082 C GLY C 45 23.412 59.085 7.000 1.00 14.64 C ATOM 2083 O GLY C 45 23.362 59.926 7.901 1.00 15.20 O ATOM 2084 H GLY C 45 24.100 61.329 5.863 1.00 0.00 H ATOM 2085 N ASP C 46 22.631 58.023 6.947 1.00 14.02 N ATOM 2086 CA ASP C 46 21.710 57.629 8.012 1.00 16.05 C ATOM 2087 C ASP C 46 22.249 56.524 8.929 1.00 13.97 C ATOM 2088 O ASP C 46 21.691 56.286 9.994 1.00 13.82 O ATOM 2089 CB ASP C 46 20.391 57.146 7.394 1.00 18.87 C ATOM 2090 CG ASP C 46 19.675 58.265 6.644 1.00 24.09 C ATOM 2091 OD1 ASP C 46 19.409 59.308 7.271 1.00 28.62 O ATOM 2092 OD2 ASP C 46 19.426 58.081 5.442 1.00 29.34 O ATOM 2093 H ASP C 46 22.673 57.429 6.094 1.00 0.00 H ATOM 2094 N ASN C 47 23.346 55.891 8.531 1.00 12.55 N ATOM 2095 CA ASN C 47 23.986 54.834 9.285 1.00 11.92 C ATOM 2096 C ASN C 47 25.500 54.915 9.065 1.00 11.84 C ATOM 2097 O ASN C 47 25.925 55.215 7.965 1.00 11.62 O ATOM 2098 CB ASN C 47 23.506 53.473 8.802 1.00 12.63 C ATOM 2099 CG ASN C 47 24.182 52.318 9.541 1.00 14.49 C ATOM 2100 OD1 ASN C 47 25.125 51.651 9.032 1.00 14.38 O ATOM 2101 ND2 ASN C 47 23.692 52.046 10.741 1.00 15.37 N ATOM 2102 HD22 ASN C 47 22.914 52.618 11.127 1.00 0.00 H ATOM 2103 HD21 ASN C 47 24.085 51.260 11.297 1.00 0.00 H ATOM 2104 H ASN C 47 23.771 56.171 7.624 1.00 0.00 H ATOM 2105 N VAL C 48 26.270 54.597 10.098 1.00 10.93 N ATOM 2106 CA VAL C 48 27.748 54.649 10.033 1.00 10.62 C ATOM 2107 C VAL C 48 28.362 53.451 10.760 1.00 9.97 C ATOM 2108 O VAL C 48 27.871 52.966 11.783 1.00 9.77 O ATOM 2109 CB VAL C 48 28.294 55.958 10.603 1.00 10.54 C ATOM 2110 CG1 VAL C 48 27.903 56.176 12.077 1.00 11.04 C ATOM 2111 CG2 VAL C 48 29.784 56.047 10.354 1.00 11.26 C ATOM 2112 H VAL C 48 25.818 54.300 10.986 1.00 0.00 H ATOM 2113 N SER C 49 29.405 52.900 10.149 1.00 10.19 N ATOM 2114 CA SER C 49 30.311 51.992 10.834 1.00 9.73 C ATOM 2115 C SER C 49 31.742 52.397 10.525 1.00 9.24 C ATOM 2116 O SER C 49 31.999 53.169 9.585 1.00 9.09 O ATOM 2117 CB SER C 49 30.074 50.528 10.464 1.00 10.22 C ATOM 2118 OG SER C 49 30.409 50.218 9.097 1.00 11.83 O ATOM 2119 HG SER C 49 29.856 50.771 8.490 1.00 0.00 H ATOM 2120 H SER C 49 29.579 53.125 9.149 1.00 0.00 H ATOM 2121 N VAL C 50 32.668 51.914 11.339 1.00 9.25 N ATOM 2122 CA VAL C 50 34.065 52.314 11.173 1.00 9.17 C ATOM 2123 C VAL C 50 35.011 51.205 11.547 1.00 8.76 C ATOM 2124 O VAL C 50 34.726 50.381 12.414 1.00 9.66 O ATOM 2125 CB VAL C 50 34.386 53.606 12.005 1.00 9.28 C ATOM 2126 CG1 VAL C 50 34.236 53.382 13.514 1.00 9.90 C ATOM 2127 CG2 VAL C 50 35.756 54.153 11.694 1.00 9.65 C ATOM 2128 H VAL C 50 32.402 51.251 12.095 1.00 0.00 H ATOM 2129 N THR C 51 36.165 51.178 10.891 1.00 8.59 N ATOM 2130 CA THR C 51 37.267 50.342 11.309 1.00 9.12 C ATOM 2131 C THR C 51 38.570 51.107 11.085 1.00 8.67 C ATOM 2132 O THR C 51 38.616 52.062 10.271 1.00 9.76 O ATOM 2133 CB THR C 51 37.291 48.959 10.606 1.00 9.04 C ATOM 2134 OG1 THR C 51 38.267 48.126 11.257 1.00 9.37 O ATOM 2135 CG2 THR C 51 37.600 49.061 9.147 1.00 9.35 C ATOM 2136 HG1 THR C 51 38.022 48.015 12.210 1.00 0.00 H ATOM 2137 H THR C 51 36.279 51.778 10.049 1.00 0.00 H ATOM 2138 N SER C 52 39.615 50.734 11.801 1.00 9.09 N ATOM 2139 CA SER C 52 40.904 51.403 11.661 1.00 9.59 C ATOM 2140 C SER C 52 42.021 50.405 11.931 1.00 10.58 C ATOM 2141 O SER C 52 41.812 49.433 12.624 1.00 10.62 O ATOM 2142 CB SER C 52 40.995 52.642 12.574 1.00 9.98 C ATOM 2143 OG SER C 52 41.052 52.356 13.963 1.00 9.88 O ATOM 2144 HG SER C 52 41.851 51.802 14.152 1.00 0.00 H ATOM 2145 H SER C 52 39.517 49.949 12.477 1.00 0.00 H ATOM 2146 N TRP C 53 43.198 50.712 11.402 1.00 11.10 N ATOM 2147 CA TRP C 53 44.399 49.876 11.642 1.00 11.30 C ATOM 2148 C TRP C 53 45.621 50.771 11.621 1.00 11.51 C ATOM 2149 O TRP C 53 45.636 51.825 10.948 1.00 10.82 O ATOM 2150 CB TRP C 53 44.500 48.749 10.596 1.00 11.60 C ATOM 2151 CG TRP C 53 44.775 49.223 9.168 1.00 11.92 C ATOM 2152 CD1 TRP C 53 45.975 49.319 8.534 1.00 11.93 C ATOM 2153 CD2 TRP C 53 43.795 49.634 8.225 1.00 11.72 C ATOM 2154 NE1 TRP C 53 45.804 49.813 7.259 1.00 12.15 N ATOM 2155 CE2 TRP C 53 44.463 49.990 7.037 1.00 11.60 C ATOM 2156 CE3 TRP C 53 42.406 49.747 8.277 1.00 11.82 C ATOM 2157 CZ2 TRP C 53 43.792 50.514 5.927 1.00 11.61 C ATOM 2158 CZ3 TRP C 53 41.752 50.221 7.132 1.00 11.39 C ATOM 2159 CH2 TRP C 53 42.429 50.584 5.990 1.00 10.48 C ATOM 2160 HE1 TRP C 53 46.564 50.017 6.580 1.00 0.00 H ATOM 2161 H TRP C 53 43.281 51.559 10.805 1.00 0.00 H ATOM 2162 N LEU C 54 46.639 50.289 12.307 1.00 12.62 N ATOM 2163 CA LEU C 54 47.930 50.963 12.363 1.00 14.30 C ATOM 2164 C LEU C 54 48.945 50.317 11.443 1.00 15.55 C ATOM 2165 O LEU C 54 48.982 49.091 11.304 1.00 15.93 O ATOM 2166 CB LEU C 54 48.475 50.872 13.761 1.00 15.78 C ATOM 2167 CG LEU C 54 47.811 51.757 14.799 1.00 15.29 C ATOM 2168 CD1 LEU C 54 48.251 51.317 16.198 1.00 16.66 C ATOM 2169 CD2 LEU C 54 48.143 53.208 14.574 1.00 15.87 C ATOM 2170 H LEU C 54 46.516 49.396 12.826 1.00 0.00 H ATOM 2171 N VAL C 55 49.763 51.159 10.833 1.00 14.82 N ATOM 2172 CA VAL C 55 50.984 50.695 10.162 1.00 15.90 C ATOM 2173 C VAL C 55 52.103 51.434 10.864 1.00 16.72 C ATOM 2174 O VAL C 55 52.223 52.634 10.715 1.00 17.61 O ATOM 2175 CB VAL C 55 50.991 51.005 8.651 1.00 16.16 C ATOM 2176 CG1 VAL C 55 52.268 50.495 8.015 1.00 17.59 C ATOM 2177 CG2 VAL C 55 49.785 50.350 7.969 1.00 14.84 C ATOM 2178 H VAL C 55 49.536 52.174 10.829 1.00 0.00 H ATOM 2179 N GLY C 56 52.894 50.690 11.625 1.00 19.72 N ATOM 2180 CA GLY C 56 53.738 51.286 12.651 1.00 22.56 C ATOM 2181 C GLY C 56 52.845 52.017 13.650 1.00 23.21 C ATOM 2182 O GLY C 56 51.976 51.406 14.298 1.00 26.06 O ATOM 2183 H GLY C 56 52.912 49.659 11.486 1.00 0.00 H ATOM 2184 N SER C 57 53.073 53.304 13.799 1.00 21.77 N ATOM 2185 CA SER C 57 52.207 54.175 14.631 1.00 24.73 C ATOM 2186 C SER C 57 51.201 55.045 13.832 1.00 21.63 C ATOM 2187 O SER C 57 50.500 55.880 14.421 1.00 22.02 O ATOM 2188 CB SER C 57 53.083 55.097 15.485 1.00 28.68 C ATOM 2189 OG SER C 57 53.780 54.284 16.404 1.00 32.89 O ATOM 2190 HG SER C 57 54.358 54.852 16.973 1.00 0.00 H ATOM 2191 H SER C 57 53.891 53.727 13.315 1.00 0.00 H ATOM 2192 N ALA C 58 51.182 54.878 12.507 1.00 19.75 N ATOM 2193 CA ALA C 58 50.388 55.713 11.592 1.00 18.96 C ATOM 2194 C ALA C 58 48.978 55.090 11.397 1.00 17.14 C ATOM 2195 O ALA C 58 48.885 53.952 11.010 1.00 14.59 O ATOM 2196 CB ALA C 58 51.065 55.818 10.260 1.00 20.13 C ATOM 2197 H ALA C 58 51.760 54.116 12.100 1.00 0.00 H ATOM 2198 N ILE C 59 47.931 55.861 11.682 1.00 14.05 N ATOM 2199 CA ILE C 59 46.532 55.364 11.597 1.00 12.75 C ATOM 2200 C ILE C 59 45.933 55.447 10.179 1.00 12.01 C ATOM 2201 O ILE C 59 46.137 56.429 9.432 1.00 11.97 O ATOM 2202 CB ILE C 59 45.594 56.105 12.637 1.00 12.77 C ATOM 2203 CG1 ILE C 59 44.282 55.332 12.867 1.00 13.14 C ATOM 2204 CG2 ILE C 59 45.296 57.525 12.203 1.00 13.55 C ATOM 2205 CD1 ILE C 59 44.462 53.942 13.422 1.00 13.24 C ATOM 2206 H ILE C 59 48.097 56.845 11.974 1.00 0.00 H ATOM 2207 N HIS C 60 45.165 54.424 9.821 1.00 10.91 N ATOM 2208 CA HIS C 60 44.353 54.394 8.633 1.00 11.07 C ATOM 2209 C HIS C 60 42.946 54.131 9.077 1.00 10.69 C ATOM 2210 O HIS C 60 42.726 53.242 9.862 1.00 10.89 O ATOM 2211 CB HIS C 60 44.849 53.289 7.677 1.00 11.59 C ATOM 2212 CG HIS C 60 46.220 53.520 7.174 1.00 13.19 C ATOM 2213 ND1 HIS C 60 46.486 54.096 5.948 1.00 14.33 N ATOM 2214 CD2 HIS C 60 47.414 53.328 7.773 1.00 13.95 C ATOM 2215 CE1 HIS C 60 47.796 54.187 5.792 1.00 15.46 C ATOM 2216 NE2 HIS C 60 48.374 53.726 6.881 1.00 14.94 N ATOM 2217 H HIS C 60 45.149 53.589 10.441 1.00 0.00 H ATOM 2218 N ILE C 61 41.978 54.868 8.552 1.00 10.20 N ATOM 2219 CA ILE C 61 40.571 54.766 9.005 1.00 9.57 C ATOM 2220 C ILE C 61 39.724 54.539 7.758 1.00 9.10 C ATOM 2221 O ILE C 61 39.935 55.189 6.743 1.00 8.83 O ATOM 2222 CB ILE C 61 40.071 56.024 9.787 1.00 9.35 C ATOM 2223 CG1 ILE C 61 41.031 56.418 10.896 1.00 9.83 C ATOM 2224 CG2 ILE C 61 38.708 55.765 10.414 1.00 9.38 C ATOM 2225 CD1 ILE C 61 40.744 57.771 11.554 1.00 10.24 C ATOM 2226 H ILE C 61 42.214 55.542 7.796 1.00 0.00 H ATOM 2227 N ARG C 62 38.697 53.693 7.888 1.00 9.40 N ATOM 2228 CA ARG C 62 37.666 53.510 6.845 1.00 8.86 C ATOM 2229 C ARG C 62 36.319 53.670 7.513 1.00 9.27 C ATOM 2230 O ARG C 62 35.982 52.966 8.464 1.00 9.21 O ATOM 2231 CB ARG C 62 37.759 52.148 6.189 1.00 8.90 C ATOM 2232 CG ARG C 62 39.066 51.932 5.414 1.00 9.05 C ATOM 2233 CD ARG C 62 39.212 52.850 4.230 1.00 9.24 C ATOM 2234 NE ARG C 62 40.450 52.616 3.480 1.00 9.52 N ATOM 2235 CZ ARG C 62 41.617 53.191 3.739 1.00 10.30 C ATOM 2236 NH1 ARG C 62 41.754 54.076 4.714 1.00 10.52 N ATOM 2237 NH2 ARG C 62 42.651 52.959 2.939 1.00 10.72 N ATOM 2238 HE ARG C 62 40.410 51.948 2.684 1.00 0.00 H ATOM 2239 HH12 ARG C 62 42.681 54.511 4.895 1.00 0.00 H ATOM 2240 HH11 ARG C 62 40.935 54.336 5.299 1.00 0.00 H ATOM 2241 HH22 ARG C 62 43.570 53.405 3.134 1.00 0.00 H ATOM 2242 HH21 ARG C 62 42.542 52.331 2.117 1.00 0.00 H ATOM 2243 H ARG C 62 38.620 53.138 8.764 1.00 0.00 H ATOM 2244 N VAL C 63 35.533 54.576 6.989 1.00 9.19 N ATOM 2245 CA VAL C 63 34.180 54.862 7.503 1.00 9.79 C ATOM 2246 C VAL C 63 33.214 54.456 6.409 1.00 10.23 C ATOM 2247 O VAL C 63 33.353 54.881 5.250 1.00 10.10 O ATOM 2248 CB VAL C 63 33.992 56.355 7.830 1.00 10.45 C ATOM 2249 CG1 VAL C 63 32.540 56.705 8.162 1.00 10.98 C ATOM 2250 CG2 VAL C 63 34.911 56.805 8.982 1.00 11.34 C ATOM 2251 H VAL C 63 35.878 55.120 6.172 1.00 0.00 H ATOM 2252 N TYR C 64 32.192 53.701 6.791 1.00 9.53 N ATOM 2253 CA TYR C 64 31.183 53.191 5.864 1.00 9.45 C ATOM 2254 C TYR C 64 29.853 53.930 6.155 1.00 9.97 C ATOM 2255 O TYR C 64 29.255 53.705 7.197 1.00 9.38 O ATOM 2256 CB TYR C 64 31.064 51.657 5.978 1.00 9.13 C ATOM 2257 CG TYR C 64 32.364 51.028 5.552 1.00 8.60 C ATOM 2258 CD1 TYR C 64 32.696 50.813 4.216 1.00 8.92 C ATOM 2259 CD2 TYR C 64 33.333 50.752 6.502 1.00 8.34 C ATOM 2260 CE1 TYR C 64 33.970 50.359 3.839 1.00 8.87 C ATOM 2261 CE2 TYR C 64 34.573 50.256 6.132 1.00 8.20 C ATOM 2262 CZ TYR C 64 34.892 50.095 4.792 1.00 8.27 C ATOM 2263 OH TYR C 64 36.141 49.656 4.455 1.00 9.42 O ATOM 2264 HH TYR C 64 36.213 49.593 3.470 1.00 0.00 H ATOM 2265 H TYR C 64 32.104 53.460 7.799 1.00 0.00 H ATOM 2266 N ALA C 65 29.441 54.805 5.217 1.00 10.22 N ATOM 2267 CA ALA C 65 28.281 55.703 5.359 1.00 10.24 C ATOM 2268 C ALA C 65 27.166 55.235 4.439 1.00 10.54 C ATOM 2269 O ALA C 65 27.395 55.094 3.237 1.00 10.38 O ATOM 2270 CB ALA C 65 28.693 57.116 5.018 1.00 10.52 C ATOM 2271 H ALA C 65 29.980 54.850 4.329 1.00 0.00 H ATOM 2272 N SER C 66 25.974 54.999 4.991 1.00 10.89 N ATOM 2273 CA SER C 66 24.858 54.435 4.236 1.00 11.93 C ATOM 2274 C SER C 66 23.627 55.325 4.236 1.00 14.58 C ATOM 2275 O SER C 66 23.274 55.897 5.254 1.00 13.02 O ATOM 2276 CB SER C 66 24.468 53.050 4.740 1.00 12.89 C ATOM 2277 OG SER C 66 25.559 52.170 4.641 1.00 11.60 O ATOM 2278 HG SER C 66 25.842 52.102 3.695 1.00 0.00 H ATOM 2279 H SER C 66 25.835 55.225 5.996 1.00 0.00 H ATOM 2280 N THR C 67 23.034 55.450 3.049 1.00 15.81 N ATOM 2281 CA THR C 67 21.755 56.180 2.836 1.00 17.21 C ATOM 2282 C THR C 67 20.938 55.202 2.021 1.00 16.11 C ATOM 2283 O THR C 67 21.414 54.802 0.976 1.00 15.44 O ATOM 2284 CB THR C 67 21.986 57.482 2.027 1.00 18.29 C ATOM 2285 OG1 THR C 67 22.821 58.372 2.789 1.00 21.77 O ATOM 2286 CG2 THR C 67 20.692 58.193 1.692 1.00 20.15 C ATOM 2287 HG1 THR C 67 23.690 57.934 2.969 1.00 0.00 H ATOM 2288 H THR C 67 23.492 55.012 2.224 1.00 0.00 H ATOM 2289 N GLY C 68 19.743 54.835 2.464 1.00 15.88 N ATOM 2290 CA GLY C 68 18.965 53.805 1.765 1.00 16.83 C ATOM 2291 C GLY C 68 19.802 52.531 1.630 1.00 17.57 C ATOM 2292 O GLY C 68 20.371 52.061 2.638 1.00 16.45 O ATOM 2293 H GLY C 68 19.352 55.283 3.317 1.00 0.00 H ATOM 2294 N THR C 69 19.939 52.021 0.417 1.00 15.84 N ATOM 2295 CA THR C 69 20.760 50.846 0.185 1.00 18.58 C ATOM 2296 C THR C 69 22.162 51.180 -0.362 1.00 17.25 C ATOM 2297 O THR C 69 22.898 50.274 -0.796 1.00 18.70 O ATOM 2298 CB THR C 69 20.077 49.822 -0.723 1.00 21.41 C ATOM 2299 OG1 THR C 69 19.687 50.466 -1.944 1.00 21.91 O ATOM 2300 CG2 THR C 69 18.811 49.220 -0.021 1.00 22.20 C ATOM 2301 HG1 THR C 69 20.490 50.830 -2.395 1.00 0.00 H ATOM 2302 H THR C 69 19.450 52.469 -0.384 1.00 0.00 H ATOM 2303 N THR C 70 22.542 52.440 -0.324 1.00 15.93 N ATOM 2304 CA THR C 70 23.825 52.876 -0.911 1.00 15.55 C ATOM 2305 C THR C 70 24.857 53.139 0.178 1.00 14.00 C ATOM 2306 O THR C 70 24.662 54.027 0.982 1.00 14.14 O ATOM 2307 CB THR C 70 23.660 54.166 -1.738 1.00 17.08 C ATOM 2308 OG1 THR C 70 22.568 54.010 -2.643 1.00 18.23 O ATOM 2309 CG2 THR C 70 24.944 54.488 -2.491 1.00 17.07 C ATOM 2310 HG1 THR C 70 22.749 53.248 -3.249 1.00 0.00 H ATOM 2311 H THR C 70 21.925 53.144 0.129 1.00 0.00 H ATOM 2312 N THR C 71 25.944 52.384 0.171 1.00 12.73 N ATOM 2313 CA THR C 71 27.018 52.587 1.138 1.00 12.07 C ATOM 2314 C THR C 71 28.270 53.148 0.446 1.00 12.23 C ATOM 2315 O THR C 71 28.720 52.587 -0.553 1.00 12.49 O ATOM 2316 CB THR C 71 27.391 51.269 1.841 1.00 11.80 C ATOM 2317 OG1 THR C 71 26.245 50.724 2.500 1.00 11.06 O ATOM 2318 CG2 THR C 71 28.531 51.422 2.829 1.00 12.28 C ATOM 2319 HG1 THR C 71 25.914 51.370 3.173 1.00 0.00 H ATOM 2320 H THR C 71 26.035 51.630 -0.539 1.00 0.00 H ATOM 2321 N THR C 72 28.819 54.214 1.011 1.00 11.18 N ATOM 2322 CA THR C 72 30.032 54.861 0.496 1.00 11.18 C ATOM 2323 C THR C 72 31.137 54.707 1.546 1.00 11.22 C ATOM 2324 O THR C 72 30.919 54.940 2.747 1.00 10.80 O ATOM 2325 CB THR C 72 29.789 56.367 0.245 1.00 12.30 C ATOM 2326 OG1 THR C 72 28.697 56.504 -0.664 1.00 12.68 O ATOM 2327 CG2 THR C 72 31.025 57.035 -0.310 1.00 12.45 C ATOM 2328 HG1 THR C 72 27.888 56.092 -0.270 1.00 0.00 H ATOM 2329 H THR C 72 28.369 54.611 1.860 1.00 0.00 H ATOM 2330 N GLU C 73 32.303 54.319 1.075 1.00 9.60 N ATOM 2331 CA GLU C 73 33.482 54.208 1.915 1.00 9.98 C ATOM 2332 C GLU C 73 34.267 55.476 1.830 1.00 10.03 C ATOM 2333 O GLU C 73 34.572 55.958 0.724 1.00 10.23 O ATOM 2334 CB GLU C 73 34.347 53.034 1.460 1.00 9.74 C ATOM 2335 CG GLU C 73 35.696 52.847 2.188 1.00 9.67 C ATOM 2336 CD GLU C 73 36.593 51.823 1.505 1.00 10.09 C ATOM 2337 OE1 GLU C 73 36.791 51.955 0.271 1.00 10.92 O ATOM 2338 OE2 GLU C 73 37.058 50.879 2.191 1.00 9.95 O ATOM 2339 H GLU C 73 32.383 54.084 0.065 1.00 0.00 H ATOM 2340 N TRP C 74 34.653 56.009 3.000 1.00 9.84 N ATOM 2341 CA TRP C 74 35.520 57.176 3.144 1.00 10.06 C ATOM 2342 C TRP C 74 36.846 56.748 3.791 1.00 10.12 C ATOM 2343 O TRP C 74 36.816 56.018 4.813 1.00 11.03 O ATOM 2344 CB TRP C 74 34.771 58.242 3.970 1.00 10.38 C ATOM 2345 CG TRP C 74 33.585 58.743 3.213 1.00 11.41 C ATOM 2346 CD1 TRP C 74 32.257 58.384 3.389 1.00 12.25 C ATOM 2347 CD2 TRP C 74 33.599 59.679 2.122 1.00 11.72 C ATOM 2348 NE1 TRP C 74 31.463 59.060 2.479 1.00 11.81 N ATOM 2349 CE2 TRP C 74 32.259 59.829 1.676 1.00 12.26 C ATOM 2350 CE3 TRP C 74 34.622 60.361 1.450 1.00 13.11 C ATOM 2351 CZ2 TRP C 74 31.915 60.695 0.646 1.00 13.75 C ATOM 2352 CZ3 TRP C 74 34.283 61.190 0.395 1.00 14.00 C ATOM 2353 CH2 TRP C 74 32.951 61.338 -0.012 1.00 15.34 C ATOM 2354 HE1 TRP C 74 30.427 58.994 2.416 1.00 0.00 H ATOM 2355 H TRP C 74 34.308 55.556 3.871 1.00 0.00 H ATOM 2356 N CYS C 75 37.963 57.258 3.288 1.00 10.33 N ATOM 2357 CA CYS C 75 39.304 56.802 3.679 1.00 11.05 C ATOM 2358 C CYS C 75 40.172 57.924 4.244 1.00 10.91 C ATOM 2359 O CYS C 75 40.281 58.993 3.616 1.00 11.42 O ATOM 2360 CB CYS C 75 40.054 56.223 2.468 1.00 11.31 C ATOM 2361 SG CYS C 75 39.088 55.056 1.483 1.00 13.38 S ATOM 2362 H CYS C 75 37.886 58.018 2.582 1.00 0.00 H ATOM 2363 N TRP C 76 40.750 57.678 5.426 1.00 10.55 N ATOM 2364 CA TRP C 76 41.822 58.490 6.012 1.00 11.74 C ATOM 2365 C TRP C 76 43.129 57.669 5.962 1.00 11.99 C ATOM 2366 O TRP C 76 43.216 56.598 6.566 1.00 11.42 O ATOM 2367 CB TRP C 76 41.515 58.924 7.430 1.00 12.81 C ATOM 2368 CG TRP C 76 42.684 59.647 8.082 1.00 13.82 C ATOM 2369 CD1 TRP C 76 43.784 59.082 8.702 1.00 13.60 C ATOM 2370 CD2 TRP C 76 42.858 61.006 8.144 1.00 15.16 C ATOM 2371 NE1 TRP C 76 44.637 60.031 9.116 1.00 14.84 N ATOM 2372 CE2 TRP C 76 44.095 61.239 8.785 1.00 15.05 C ATOM 2373 CE3 TRP C 76 42.090 62.092 7.701 1.00 15.55 C ATOM 2374 CZ2 TRP C 76 44.571 62.508 9.036 1.00 16.76 C ATOM 2375 CZ3 TRP C 76 42.555 63.331 7.941 1.00 16.98 C ATOM 2376 CH2 TRP C 76 43.781 63.547 8.614 1.00 17.55 C ATOM 2377 HE1 TRP C 76 45.544 59.875 9.600 1.00 0.00 H ATOM 2378 H TRP C 76 40.416 56.854 5.966 1.00 0.00 H ATOM 2379 N ASP C 77 44.124 58.204 5.265 1.00 14.45 N ATOM 2380 CA ASP C 77 45.465 57.580 5.132 1.00 15.74 C ATOM 2381 C ASP C 77 46.600 58.553 5.429 1.00 17.36 C ATOM 2382 O ASP C 77 47.698 58.430 4.879 1.00 19.08 O ATOM 2383 CB ASP C 77 45.635 56.980 3.747 1.00 15.47 C ATOM 2384 CG ASP C 77 44.559 55.971 3.433 1.00 16.92 C ATOM 2385 OD1 ASP C 77 44.600 54.906 4.070 1.00 17.08 O ATOM 2386 OD2 ASP C 77 43.622 56.299 2.667 1.00 19.13 O ATOM 2387 H ASP C 77 43.955 59.111 4.785 1.00 0.00 H ATOM 2388 N GLY C 78 46.338 59.510 6.293 1.00 16.84 N ATOM 2389 CA GLY C 78 47.371 60.416 6.849 1.00 18.09 C ATOM 2390 C GLY C 78 47.323 61.816 6.329 1.00 18.68 C ATOM 2391 O GLY C 78 48.045 62.684 6.819 1.00 21.73 O ATOM 2392 H GLY C 78 45.353 59.638 6.602 1.00 0.00 H ATOM 2393 N ASN C 79 46.511 62.075 5.323 1.00 18.92 N ATOM 2394 CA ASN C 79 46.453 63.414 4.752 1.00 21.25 C ATOM 2395 C ASN C 79 45.068 63.786 4.221 1.00 20.31 C ATOM 2396 O ASN C 79 44.937 64.269 3.089 1.00 24.66 O ATOM 2397 CB ASN C 79 47.504 63.652 3.662 1.00 23.49 C ATOM 2398 CG ASN C 79 47.636 65.165 3.345 1.00 26.56 C ATOM 2399 OD1 ASN C 79 47.838 65.994 4.284 1.00 29.82 O ATOM 2400 ND2 ASN C 79 47.391 65.548 2.075 1.00 24.51 N ATOM 2401 HD22 ASN C 79 47.231 64.832 1.338 1.00 0.00 H ATOM 2402 HD21 ASN C 79 47.362 66.559 1.833 1.00 0.00 H ATOM 2403 H ASN C 79 45.909 61.320 4.936 1.00 0.00 H ATOM 2404 N GLY C 80 44.033 63.552 5.020 1.00 18.34 N ATOM 2405 CA GLY C 80 42.672 63.930 4.646 1.00 16.59 C ATOM 2406 C GLY C 80 41.799 62.783 4.177 1.00 15.68 C ATOM 2407 O GLY C 80 42.271 61.678 3.926 1.00 14.81 O ATOM 2408 H GLY C 80 44.196 63.087 5.936 1.00 0.00 H ATOM 2409 N TRP C 81 40.532 63.082 4.038 1.00 14.26 N ATOM 2410 CA TRP C 81 39.533 62.132 3.615 1.00 13.02 C ATOM 2411 C TRP C 81 39.350 62.043 2.114 1.00 14.66 C ATOM 2412 O TRP C 81 39.228 63.085 1.459 1.00 16.95 O ATOM 2413 CB TRP C 81 38.199 62.492 4.246 1.00 12.22 C ATOM 2414 CG TRP C 81 38.263 62.345 5.761 1.00 11.67 C ATOM 2415 CD1 TRP C 81 38.485 63.336 6.701 1.00 12.11 C ATOM 2416 CD2 TRP C 81 38.117 61.145 6.484 1.00 11.44 C ATOM 2417 NE1 TRP C 81 38.473 62.803 7.978 1.00 11.34 N ATOM 2418 CE2 TRP C 81 38.270 61.452 7.872 1.00 10.68 C ATOM 2419 CE3 TRP C 81 37.855 59.803 6.101 1.00 11.63 C ATOM 2420 CZ2 TRP C 81 38.099 60.489 8.874 1.00 11.87 C ATOM 2421 CZ3 TRP C 81 37.707 58.851 7.083 1.00 11.11 C ATOM 2422 CH2 TRP C 81 37.840 59.190 8.465 1.00 11.73 C ATOM 2423 HE1 TRP C 81 38.596 63.335 8.863 1.00 0.00 H ATOM 2424 H TRP C 81 40.230 64.056 4.243 1.00 0.00 H ATOM 2425 N THR C 82 39.268 60.809 1.596 1.00 13.52 N ATOM 2426 CA THR C 82 39.012 60.520 0.179 1.00 14.94 C ATOM 2427 C THR C 82 37.957 59.448 0.031 1.00 14.63 C ATOM 2428 O THR C 82 37.798 58.585 0.897 1.00 13.66 O ATOM 2429 CB THR C 82 40.267 60.052 -0.595 1.00 17.03 C ATOM 2430 OG1 THR C 82 40.717 58.800 -0.086 1.00 18.99 O ATOM 2431 CG2 THR C 82 41.359 61.032 -0.456 1.00 17.88 C ATOM 2432 HG1 THR C 82 40.943 58.897 0.873 1.00 0.00 H ATOM 2433 H THR C 82 39.394 60.003 2.241 1.00 0.00 H ATOM 2434 N LYS C 83 37.239 59.467 -1.073 1.00 13.95 N ATOM 2435 CA LYS C 83 36.259 58.405 -1.337 1.00 15.29 C ATOM 2436 C LYS C 83 36.969 57.120 -1.789 1.00 14.30 C ATOM 2437 O LYS C 83 37.831 57.149 -2.646 1.00 13.77 O ATOM 2438 CB LYS C 83 35.207 58.877 -2.347 1.00 18.21 C ATOM 2439 CG LYS C 83 34.065 57.868 -2.522 1.00 22.77 C ATOM 2440 CD LYS C 83 32.766 58.442 -3.062 1.00 27.08 C ATOM 2441 CE LYS C 83 32.774 58.752 -4.510 1.00 30.83 C ATOM 2442 NZ LYS C 83 33.084 57.581 -5.353 1.00 35.55 N ATOM 2443 HZ1 LYS C 83 34.025 57.216 -5.104 1.00 0.00 H ATOM 2444 HZ2 LYS C 83 32.370 56.842 -5.193 1.00 0.00 H ATOM 2445 HZ3 LYS C 83 33.074 57.864 -6.354 1.00 0.00 H ATOM 2446 H LYS C 83 37.366 60.237 -1.761 1.00 0.00 H ATOM 2447 N GLY C 84 36.603 55.989 -1.204 1.00 13.46 N ATOM 2448 CA GLY C 84 37.238 54.707 -1.490 1.00 13.30 C ATOM 2449 C GLY C 84 36.523 53.895 -2.554 1.00 13.86 C ATOM 2450 O GLY C 84 35.455 54.267 -3.031 1.00 12.10 O ATOM 2451 H GLY C 84 35.829 56.016 -0.510 1.00 0.00 H ATOM 2452 N ALA C 85 37.150 52.779 -2.901 1.00 12.89 N ATOM 2453 CA ALA C 85 36.716 51.917 -3.987 1.00 14.40 C ATOM 2454 C ALA C 85 35.581 50.972 -3.617 1.00 13.78 C ATOM 2455 O ALA C 85 35.052 50.303 -4.491 1.00 13.19 O ATOM 2456 CB ALA C 85 37.895 51.081 -4.489 1.00 15.42 C ATOM 2457 H ALA C 85 37.999 52.506 -2.366 1.00 0.00 H ATOM 2458 N TYR C 86 35.234 50.884 -2.332 1.00 12.40 N ATOM 2459 CA TYR C 86 34.152 49.986 -1.915 1.00 13.34 C ATOM 2460 C TYR C 86 32.890 50.141 -2.776 1.00 14.34 C ATOM 2461 O TYR C 86 32.425 51.238 -3.009 1.00 13.21 O ATOM 2462 CB TYR C 86 33.751 50.255 -0.439 1.00 12.35 C ATOM 2463 CG TYR C 86 32.598 49.408 0.070 1.00 12.52 C ATOM 2464 CD1 TYR C 86 31.292 49.827 -0.052 1.00 13.42 C ATOM 2465 CD2 TYR C 86 32.840 48.169 0.674 1.00 13.22 C ATOM 2466 CE1 TYR C 86 30.251 49.013 0.396 1.00 14.04 C ATOM 2467 CE2 TYR C 86 31.828 47.356 1.116 1.00 12.84 C ATOM 2468 CZ TYR C 86 30.525 47.781 0.976 1.00 14.47 C ATOM 2469 OH TYR C 86 29.488 46.972 1.445 1.00 14.93 O ATOM 2470 HH TYR C 86 28.620 47.416 1.271 1.00 0.00 H ATOM 2471 H TYR C 86 35.734 51.456 -1.621 1.00 0.00 H ATOM 2472 N THR C 87 32.335 49.007 -3.155 1.00 15.87 N ATOM 2473 CA THR C 87 31.009 48.917 -3.791 1.00 19.32 C ATOM 2474 C THR C 87 30.257 47.697 -3.280 1.00 22.13 C ATOM 2475 O THR C 87 30.826 46.793 -2.652 1.00 19.11 O ATOM 2476 CB THR C 87 31.091 48.768 -5.332 1.00 21.50 C ATOM 2477 OG1 THR C 87 31.783 47.551 -5.653 1.00 22.66 O ATOM 2478 CG2 THR C 87 31.808 49.920 -5.931 1.00 21.88 C ATOM 2479 HG1 THR C 87 32.697 47.582 -5.273 1.00 0.00 H ATOM 2480 H THR C 87 32.863 48.125 -2.996 1.00 0.00 H ATOM 2481 N ALA C 88 28.966 47.681 -3.606 1.00 26.36 N ATOM 2482 CA ALA C 88 28.074 46.504 -3.471 1.00 31.19 C ATOM 2483 C ALA C 88 28.337 45.439 -4.558 1.00 34.17 C ATOM 2484 O ALA C 88 28.263 44.246 -4.286 1.00 38.71 O ATOM 2485 CB ALA C 88 26.626 46.973 -3.586 1.00 33.54 C ATOM 2486 H ALA C 88 28.553 48.558 -3.983 1.00 0.00 H ATOM 2487 N THR C 89 28.605 45.881 -5.793 1.00 33.56 N ATOM 2488 CA THR C 89 28.714 44.956 -6.946 1.00 34.39 C ATOM 2489 C THR C 89 30.030 44.926 -7.697 1.00 34.38 C ATOM 2490 O THR C 89 30.671 45.997 -7.909 1.00 35.70 O ATOM 2491 H THR C 89 28.740 46.901 -5.947 1.00 0.00 H TER 2492 THR C 89 HETATM 2493 O HOH 1 18.143 48.208 7.311 1.00 16.67 O HETATM 2494 O HOH 2 22.082 50.523 14.448 1.00 21.71 O HETATM 2495 O HOH 3 21.216 53.765 11.339 1.00 16.50 O HETATM 2496 O HOH 4 43.758 42.118 14.547 1.00 16.68 O HETATM 2497 O HOH 5 44.902 46.084 13.134 1.00 21.63 O HETATM 2498 O HOH 6 40.597 46.626 14.653 1.00 32.25 O HETATM 2499 O HOH 7 48.794 40.841 7.056 1.00 19.73 O HETATM 2500 O HOH 8 46.264 51.009 2.747 1.00 40.44 O HETATM 2501 O HOH 9 25.017 49.440 11.991 1.00 23.28 O HETATM 2502 O HOH 10 28.533 49.887 13.441 1.00 25.70 O HETATM 2503 O HOH 11 26.865 52.204 7.009 1.00 10.56 O HETATM 2504 O HOH 12 48.984 45.291 -1.134 1.00 34.31 O HETATM 2505 O HOH 13 32.112 47.863 13.100 1.00 13.33 O HETATM 2506 O HOH 14 34.748 46.264 15.165 1.00 32.09 O HETATM 2507 O HOH 15 35.509 48.809 14.338 1.00 34.92 O HETATM 2508 O HOH 16 37.080 44.709 14.893 1.00 26.25 O HETATM 2509 O HOH 17 41.165 42.659 13.844 1.00 10.74 O HETATM 2510 O HOH 18 42.261 46.787 12.774 1.00 14.49 O HETATM 2511 O HOH 19 14.661 37.504 9.745 1.00 24.47 O HETATM 2512 O HOH 20 11.962 39.427 1.742 1.00 34.09 O HETATM 2513 O HOH 21 46.579 42.327 6.286 1.00 12.95 O HETATM 2514 O HOH 22 43.613 36.663 6.496 1.00 31.90 O HETATM 2515 O HOH 23 26.189 45.109 -0.632 1.00 39.12 O HETATM 2516 O HOH 24 45.657 43.414 13.034 1.00 11.58 O HETATM 2517 O HOH 25 47.374 46.781 11.399 1.00 20.86 O HETATM 2518 O HOH 26 47.696 49.801 5.021 1.00 16.44 O HETATM 2519 O HOH 27 41.630 38.997 -3.251 1.00 24.92 O HETATM 2520 O HOH 28 44.915 37.251 1.971 1.00 30.93 O HETATM 2521 O HOH 29 43.963 36.446 -0.888 1.00 33.84 O HETATM 2522 O HOH 30 45.190 47.277 0.443 1.00 15.50 O HETATM 2523 O HOH 31 49.243 46.851 1.264 1.00 25.18 O HETATM 2524 O HOH 32 40.022 48.744 -6.106 1.00 33.59 O HETATM 2525 O HOH 33 45.588 40.494 4.624 1.00 15.67 O HETATM 2526 O HOH 34 24.953 38.513 -2.204 1.00 32.22 O HETATM 2527 O HOH 35 18.750 30.446 7.941 1.00 31.86 O HETATM 2528 O HOH 36 19.764 32.850 12.243 1.00 20.34 O HETATM 2529 O HOH 37 22.877 29.269 5.118 1.00 36.63 O HETATM 2530 O HOH 38 28.732 44.625 2.859 1.00 13.51 O HETATM 2531 O HOH 39 22.544 42.253 2.699 1.00 20.39 O HETATM 2532 O HOH 40 26.861 47.988 2.239 1.00 31.01 O HETATM 2533 O HOH 41 42.927 29.751 18.196 1.00 25.97 O HETATM 2534 O HOH 42 47.321 40.913 16.230 1.00 17.74 O HETATM 2535 O HOH 43 47.260 39.060 8.904 1.00 22.19 O HETATM 2536 O HOH 44 53.789 33.750 12.603 1.00 27.58 O HETATM 2537 O HOH 45 18.346 41.258 1.405 1.00 31.69 O HETATM 2538 O HOH 46 18.247 46.303 -2.037 1.00 31.87 O HETATM 2539 O HOH 47 22.276 43.978 0.427 1.00 35.00 O HETATM 2540 O HOH 48 44.052 28.447 16.477 1.00 27.86 O HETATM 2541 O HOH 49 16.750 44.457 8.024 1.00 16.26 O HETATM 2542 O HOH 50 13.176 39.229 5.125 1.00 40.35 O HETATM 2543 O HOH 51 14.738 39.776 2.324 1.00 33.28 O HETATM 2544 O HOH 52 17.413 42.689 -0.458 1.00 35.87 O HETATM 2545 O HOH 53 15.563 46.921 -1.154 1.00 33.52 O HETATM 2546 O HOH 54 16.962 34.532 15.305 1.00 27.68 O HETATM 2547 O HOH 55 15.271 37.151 7.202 1.00 29.25 O HETATM 2548 O HOH 56 16.260 39.515 10.390 1.00 21.82 O HETATM 2549 O HOH 57 10.279 40.617 20.538 1.00 31.02 O HETATM 2550 O HOH 58 27.743 41.094 -0.305 1.00 34.75 O HETATM 2551 O HOH 59 27.002 43.220 1.214 1.00 19.00 O HETATM 2552 O HOH 60 27.866 37.481 1.525 1.00 14.19 O HETATM 2553 O HOH 61 35.822 26.332 17.037 1.00 33.81 O HETATM 2554 O HOH 62 33.367 44.473 -7.117 1.00 36.01 O HETATM 2555 O HOH 63 25.577 24.366 16.342 1.00 34.43 O HETATM 2556 O HOH 64 41.016 41.637 -2.439 1.00 14.18 O HETATM 2557 O HOH 65 46.219 39.851 1.794 1.00 23.63 O HETATM 2558 O HOH 66 41.370 36.986 -1.373 1.00 25.27 O HETATM 2559 O HOH 67 38.763 40.581 -6.013 1.00 41.01 O HETATM 2560 O HOH 68 37.216 46.769 -6.020 1.00 23.33 O HETATM 2561 O HOH 69 35.789 41.033 -7.553 1.00 35.02 O HETATM 2562 O HOH 70 35.580 35.659 -5.263 1.00 36.25 O HETATM 2563 O HOH 71 35.235 27.144 3.915 1.00 40.93 O HETATM 2564 O HOH 72 32.338 38.826 -5.657 1.00 20.78 O HETATM 2565 O HOH 73 28.003 39.453 -6.040 1.00 24.34 O HETATM 2566 O HOH 74 29.555 38.473 -6.518 1.00 25.32 O HETATM 2567 O HOH 75 28.158 34.309 -1.111 1.00 33.59 O HETATM 2568 O HOH 76 28.104 30.316 4.917 1.00 23.99 O HETATM 2569 O HOH 77 38.310 30.342 21.647 1.00 32.99 O HETATM 2570 O HOH 78 31.070 28.113 25.946 1.00 16.48 O HETATM 2571 O HOH 79 26.700 32.049 6.152 1.00 25.05 O HETATM 2572 O HOH 80 25.819 36.890 -0.166 1.00 23.44 O HETATM 2573 O HOH 81 20.489 31.029 10.092 1.00 29.80 O HETATM 2574 O HOH 82 26.247 29.145 5.486 1.00 17.90 O HETATM 2575 O HOH 83 21.517 34.954 12.140 1.00 16.21 O HETATM 2576 O HOH 84 19.530 37.439 13.389 1.00 19.79 O HETATM 2577 O HOH 85 17.713 46.735 9.654 1.00 15.14 O HETATM 2578 O HOH 86 12.692 41.278 11.406 1.00 25.69 O HETATM 2579 O HOH 87 13.373 42.400 8.528 1.00 20.59 O HETATM 2580 O HOH 88 23.539 42.611 16.386 1.00 12.43 O HETATM 2581 O HOH 89 23.734 47.229 12.546 1.00 32.17 O HETATM 2582 O HOH 90 17.508 47.195 13.961 1.00 31.86 O HETATM 2583 O HOH 91 28.076 47.538 14.412 1.00 23.39 O HETATM 2584 O HOH 92 30.786 46.330 14.940 1.00 14.60 O HETATM 2585 O HOH 93 36.373 45.073 17.827 1.00 13.26 O HETATM 2586 O HOH 94 37.545 44.930 18.977 1.00 13.10 O HETATM 2587 O HOH 95 40.624 41.895 18.835 1.00 13.83 O HETATM 2588 O HOH 96 40.242 44.254 15.760 1.00 21.09 O HETATM 2589 O HOH 97 41.856 32.319 19.426 1.00 23.88 O HETATM 2590 O HOH 98 44.636 40.515 16.649 1.00 11.07 O HETATM 2591 O HOH 99 45.538 36.212 19.459 1.00 33.35 O HETATM 2592 O HOH 100 47.953 38.282 16.757 1.00 27.68 O HETATM 2593 O HOH 101 47.123 30.191 13.362 1.00 29.70 O HETATM 2594 O HOH 102 49.205 38.516 10.671 1.00 22.36 O HETATM 2595 O HOH 103 49.664 31.716 11.388 1.00 25.87 O HETATM 2596 O HOH 104 52.049 35.095 10.942 1.00 27.53 O HETATM 2597 O HOH 105 44.859 32.455 6.884 1.00 34.58 O HETATM 2598 O HOH 106 43.433 34.350 7.939 1.00 24.97 O HETATM 2599 O HOH 107 51.829 33.068 8.631 1.00 33.74 O HETATM 2600 O HOH 108 41.341 31.134 10.774 1.00 27.10 O HETATM 2601 O HOH 109 44.275 30.042 14.452 1.00 23.23 O HETATM 2602 O HOH 110 19.446 35.837 15.592 1.00 20.94 O HETATM 2603 O HOH 111 14.858 36.087 16.274 1.00 32.51 O HETATM 2604 O HOH 112 12.206 38.546 19.327 1.00 25.60 O HETATM 2605 O HOH 113 17.234 36.731 23.803 1.00 35.09 O HETATM 2606 O HOH 114 19.843 36.809 22.414 1.00 23.65 O HETATM 2607 O HOH 115 18.710 40.974 23.541 1.00 30.87 O HETATM 2608 O HOH 116 21.947 33.257 21.002 1.00 26.59 O HETATM 2609 O HOH 117 22.250 40.404 22.539 1.00 28.76 O HETATM 2610 O HOH 118 19.990 31.695 14.850 1.00 22.18 O HETATM 2611 O HOH 119 25.052 32.230 19.384 1.00 16.12 O HETATM 2612 O HOH 120 34.316 27.931 13.269 1.00 25.04 O HETATM 2613 O HOH 121 35.729 28.147 10.926 1.00 18.76 O HETATM 2614 O HOH 122 38.938 25.803 13.517 1.00 37.86 O HETATM 2615 O HOH 123 42.787 28.833 11.346 1.00 35.46 O HETATM 2616 O HOH 124 34.157 28.618 17.240 1.00 19.25 O HETATM 2617 O HOH 125 41.288 29.808 6.032 1.00 35.76 O HETATM 2618 O HOH 126 34.232 24.207 10.728 1.00 41.77 O HETATM 2619 O HOH 127 38.374 22.133 11.880 1.00 35.75 O HETATM 2620 O HOH 128 31.015 29.193 5.320 1.00 36.44 O HETATM 2621 O HOH 129 31.600 27.580 16.565 1.00 21.67 O HETATM 2622 O HOH 130 26.791 26.099 12.942 1.00 22.59 O HETATM 2623 O HOH 131 28.081 25.392 16.144 1.00 27.37 O HETATM 2624 O HOH 132 24.588 29.693 21.273 1.00 25.72 O HETATM 2625 O HOH 133 25.861 28.244 24.803 1.00 31.18 O HETATM 2626 O HOH 134 26.106 31.396 26.530 1.00 28.70 O HETATM 2627 O HOH 135 24.885 41.631 25.180 1.00 11.17 O HETATM 2628 O HOH 136 20.627 34.449 23.065 1.00 25.28 O HETATM 2629 O HOH 137 25.008 32.653 31.312 1.00 43.84 O HETATM 2630 O HOH 138 15.415 49.294 0.054 1.00 30.54 O HETATM 2631 O HOH 139 12.504 49.544 0.255 1.00 35.33 O HETATM 2632 O HOH 140 39.753 30.747 3.534 1.00 35.07 O HETATM 2633 O HOH 141 38.548 36.691 -4.912 1.00 43.33 O HETATM 2634 O HOH 142 30.967 28.270 2.472 1.00 35.60 O HETATM 2635 O HOH 143 33.243 29.132 3.396 1.00 45.26 O HETATM 2636 O HOH 144 36.847 28.594 20.449 1.00 18.07 O HETATM 2637 O HOH 145 32.535 27.920 23.438 1.00 12.91 O HETATM 2638 O HOH 146 10.228 45.008 16.835 1.00 34.60 O HETATM 2639 O HOH 147 14.813 48.788 15.351 1.00 32.45 O HETATM 2640 O HOH 148 12.438 47.077 17.778 1.00 33.06 O HETATM 2641 O HOH 149 11.354 42.470 13.740 1.00 18.60 O HETATM 2642 O HOH 150 13.228 44.660 18.458 1.00 40.55 O HETATM 2643 O HOH 151 10.844 42.590 18.363 1.00 27.95 O HETATM 2644 O HOH 152 9.742 46.466 20.163 1.00 34.01 O HETATM 2645 O HOH 153 11.366 48.992 19.166 1.00 31.61 O HETATM 2646 O HOH 154 25.366 51.920 16.835 1.00 21.19 O HETATM 2647 O HOH 155 43.413 45.931 22.657 1.00 17.48 O HETATM 2648 O HOH 156 46.820 42.537 22.440 1.00 22.84 O HETATM 2649 O HOH 157 27.806 48.786 16.965 1.00 27.11 O HETATM 2650 O HOH 158 31.080 46.956 17.539 1.00 12.51 O HETATM 2651 O HOH 159 36.739 47.507 19.697 1.00 34.05 O HETATM 2652 O HOH 160 12.215 49.822 21.749 1.00 25.09 O HETATM 2653 O HOH 161 40.210 44.532 18.457 1.00 26.23 O HETATM 2654 O HOH 162 40.724 46.178 22.207 1.00 11.60 O HETATM 2655 O HOH 163 42.640 38.090 25.950 1.00 15.85 O HETATM 2656 O HOH 164 41.579 41.275 30.520 1.00 29.64 O HETATM 2657 O HOH 165 42.991 40.980 19.976 1.00 33.82 O HETATM 2658 O HOH 166 44.260 43.409 22.079 1.00 13.11 O HETATM 2659 O HOH 167 45.925 33.243 25.449 1.00 33.74 O HETATM 2660 O HOH 168 35.100 33.905 33.046 1.00 18.33 O HETATM 2661 O HOH 169 38.424 31.872 24.074 1.00 11.55 O HETATM 2662 O HOH 170 42.028 30.753 24.120 1.00 22.64 O HETATM 2663 O HOH 171 41.473 38.096 28.556 1.00 22.98 O HETATM 2664 O HOH 172 39.438 40.155 31.433 1.00 20.05 O HETATM 2665 O HOH 173 26.571 51.702 38.243 1.00 35.71 O HETATM 2666 O HOH 174 28.353 32.872 35.584 1.00 34.65 O HETATM 2667 O HOH 175 19.855 56.489 34.989 1.00 34.04 O HETATM 2668 O HOH 176 22.208 57.872 31.207 1.00 20.07 O HETATM 2669 O HOH 177 19.577 58.641 29.988 1.00 30.53 O HETATM 2670 O HOH 178 19.632 44.938 27.012 1.00 16.56 O HETATM 2671 O HOH 179 42.845 57.179 29.606 1.00 35.41 O HETATM 2672 O HOH 180 46.214 55.262 30.741 1.00 37.99 O HETATM 2673 O HOH 181 48.170 47.926 35.256 1.00 37.77 O HETATM 2674 O HOH 182 16.830 48.456 20.457 1.00 27.80 O HETATM 2675 O HOH 183 15.407 45.356 28.032 1.00 37.09 O HETATM 2676 O HOH 184 13.522 45.063 21.103 1.00 33.69 O HETATM 2677 O HOH 185 14.434 47.428 21.625 1.00 21.77 O HETATM 2678 O HOH 186 46.827 53.844 33.267 1.00 39.82 O HETATM 2679 O HOH 187 15.898 50.498 22.602 1.00 25.56 O HETATM 2680 O HOH 188 11.189 44.719 22.158 1.00 33.64 O HETATM 2681 O HOH 189 10.674 48.607 23.534 1.00 18.53 O HETATM 2682 O HOH 190 11.112 41.894 24.902 1.00 25.14 O HETATM 2683 O HOH 191 20.411 60.733 28.256 1.00 23.81 O HETATM 2684 O HOH 192 15.426 53.622 29.108 1.00 32.84 O HETATM 2685 O HOH 193 13.190 51.357 33.905 1.00 35.52 O HETATM 2686 O HOH 194 23.592 66.967 19.089 1.00 37.30 O HETATM 2687 O HOH 195 22.902 41.590 27.180 1.00 15.90 O HETATM 2688 O HOH 196 24.865 43.919 32.183 1.00 12.47 O HETATM 2689 O HOH 197 34.659 33.659 30.492 1.00 10.38 O HETATM 2690 O HOH 198 36.201 36.266 34.166 1.00 22.28 O HETATM 2691 O HOH 199 26.905 33.105 33.488 1.00 33.98 O HETATM 2692 O HOH 200 26.003 35.729 34.396 1.00 21.55 O HETATM 2693 O HOH 201 29.536 40.761 36.348 1.00 34.55 O HETATM 2694 O HOH 202 38.360 66.419 30.053 1.00 33.75 O HETATM 2695 O HOH 203 26.562 50.339 35.030 1.00 10.59 O HETATM 2696 O HOH 204 27.338 49.582 36.892 1.00 28.76 O HETATM 2697 O HOH 205 19.662 51.163 32.955 1.00 30.90 O HETATM 2698 O HOH 206 22.441 43.506 33.367 1.00 26.83 O HETATM 2699 O HOH 207 22.343 56.663 33.930 1.00 33.30 O HETATM 2700 O HOH 208 21.273 53.173 35.726 1.00 35.80 O HETATM 2701 O HOH 209 23.332 56.161 29.299 1.00 13.61 O HETATM 2702 O HOH 210 21.628 57.031 26.679 1.00 23.83 O HETATM 2703 O HOH 211 16.640 50.603 20.749 1.00 23.72 O HETATM 2704 O HOH 212 19.938 51.870 17.811 1.00 29.47 O HETATM 2705 O HOH 213 13.918 51.888 21.143 1.00 27.66 O HETATM 2706 O HOH 214 25.401 55.460 20.719 1.00 11.38 O HETATM 2707 O HOH 215 30.832 49.516 18.293 1.00 18.00 O HETATM 2708 O HOH 216 37.987 49.834 18.216 1.00 29.22 O HETATM 2709 O HOH 217 40.103 46.987 19.924 1.00 27.61 O HETATM 2710 O HOH 218 41.932 50.455 20.510 1.00 12.18 O HETATM 2711 O HOH 219 44.743 55.259 28.508 1.00 20.50 O HETATM 2712 O HOH 220 45.026 48.241 22.672 1.00 11.87 O HETATM 2713 O HOH 221 48.023 49.549 33.374 1.00 29.24 O HETATM 2714 O HOH 222 44.741 41.542 29.104 1.00 34.18 O HETATM 2715 O HOH 223 42.292 43.959 32.159 1.00 31.74 O HETATM 2716 O HOH 224 41.478 48.785 33.657 1.00 35.64 O HETATM 2717 O HOH 225 45.656 51.340 33.342 1.00 25.58 O HETATM 2718 O HOH 226 37.933 57.678 32.988 1.00 28.79 O HETATM 2719 O HOH 227 22.527 59.565 26.757 1.00 18.96 O HETATM 2720 O HOH 228 17.980 64.004 23.584 1.00 38.54 O HETATM 2721 O HOH 229 18.164 61.948 27.428 1.00 32.27 O HETATM 2722 O HOH 230 17.184 57.651 29.664 1.00 34.41 O HETATM 2723 O HOH 231 14.657 60.966 24.276 1.00 29.04 O HETATM 2724 O HOH 232 23.576 66.540 22.430 1.00 37.33 O HETATM 2725 O HOH 233 24.007 64.171 18.412 1.00 27.17 O HETATM 2726 O HOH 234 25.038 64.229 22.815 1.00 19.45 O HETATM 2727 O HOH 235 24.861 63.041 19.951 1.00 12.53 O HETATM 2728 O HOH 236 27.410 63.953 26.610 1.00 21.53 O HETATM 2729 O HOH 237 27.182 61.909 19.457 1.00 26.36 O HETATM 2730 O HOH 238 23.441 60.350 31.032 1.00 28.18 O HETATM 2731 O HOH 239 25.381 63.044 28.685 1.00 35.89 O HETATM 2732 O HOH 240 29.561 61.717 28.402 1.00 13.29 O HETATM 2733 O HOH 241 36.302 55.019 35.174 1.00 32.08 O HETATM 2734 O HOH 242 39.403 45.533 34.574 1.00 19.40 O HETATM 2735 O HOH 243 37.125 52.136 36.295 1.00 28.72 O HETATM 2736 O HOH 244 30.452 49.606 37.982 1.00 34.69 O HETATM 2737 O HOH 245 35.290 58.935 34.385 1.00 39.30 O HETATM 2738 O HOH 246 30.111 58.783 36.903 1.00 32.92 O HETATM 2739 O HOH 247 35.997 61.124 33.148 1.00 36.96 O HETATM 2740 O HOH 248 33.397 67.316 25.943 1.00 20.07 O HETATM 2741 O HOH 249 31.991 67.522 29.768 1.00 34.51 O HETATM 2742 O HOH 250 30.228 61.949 17.245 1.00 12.54 O HETATM 2743 O HOH 251 26.677 65.842 24.442 1.00 24.45 O HETATM 2744 O HOH 252 29.787 69.623 13.467 1.00 30.06 O HETATM 2745 O HOH 253 32.251 71.659 17.581 1.00 22.14 O HETATM 2746 O HOH 254 25.223 68.539 18.431 1.00 36.72 O HETATM 2747 O HOH 255 32.236 43.615 37.702 1.00 38.03 O HETATM 2748 O HOH 256 38.388 63.665 30.847 1.00 24.53 O HETATM 2749 O HOH 257 40.657 57.817 32.975 1.00 36.18 O HETATM 2750 O HOH 258 19.421 56.724 14.014 1.00 33.76 O HETATM 2751 O HOH 259 24.775 50.353 14.620 1.00 17.14 O HETATM 2752 O HOH 260 44.885 49.510 16.299 1.00 16.22 O HETATM 2753 O HOH 261 28.426 51.102 15.820 1.00 21.19 O HETATM 2754 O HOH 262 47.872 62.731 18.355 1.00 35.62 O HETATM 2755 O HOH 263 50.647 60.252 26.870 1.00 34.69 O HETATM 2756 O HOH 264 31.898 51.013 16.297 1.00 14.02 O HETATM 2757 O HOH 265 37.674 49.912 15.274 1.00 33.17 O HETATM 2758 O HOH 266 24.726 66.809 12.338 1.00 28.32 O HETATM 2759 O HOH 267 40.863 49.234 18.442 1.00 22.54 O HETATM 2760 O HOH 268 42.580 50.923 15.700 1.00 13.80 O HETATM 2761 O HOH 269 24.536 66.309 3.825 1.00 33.63 O HETATM 2762 O HOH 270 47.143 56.748 21.260 1.00 15.66 O HETATM 2763 O HOH 271 47.836 59.080 15.594 1.00 19.51 O HETATM 2764 O HOH 272 46.009 50.411 18.650 1.00 15.64 O HETATM 2765 O HOH 273 44.635 50.489 20.953 1.00 13.43 O HETATM 2766 O HOH 274 49.920 55.476 21.683 1.00 27.51 O HETATM 2767 O HOH 275 43.979 67.423 20.895 1.00 21.64 O HETATM 2768 O HOH 276 47.168 58.705 28.642 1.00 26.33 O HETATM 2769 O HOH 277 43.571 60.160 27.329 1.00 14.10 O HETATM 2770 O HOH 278 46.218 60.955 16.692 1.00 26.17 O HETATM 2771 O HOH 279 47.135 59.223 20.077 1.00 15.58 O HETATM 2772 O HOH 280 35.955 70.945 8.831 1.00 30.03 O HETATM 2773 O HOH 281 35.269 67.020 3.675 1.00 42.40 O HETATM 2774 O HOH 282 26.820 64.486 -1.103 1.00 32.31 O HETATM 2775 O HOH 283 25.847 64.416 13.078 1.00 18.63 O HETATM 2776 O HOH 284 20.278 58.163 11.843 1.00 38.39 O HETATM 2777 O HOH 285 21.359 67.500 17.398 1.00 32.66 O HETATM 2778 O HOH 286 25.262 64.972 16.105 1.00 27.97 O HETATM 2779 O HOH 287 19.600 59.874 10.114 1.00 23.57 O HETATM 2780 O HOH 288 22.773 64.990 4.269 1.00 35.45 O HETATM 2781 O HOH 289 18.399 56.299 -0.932 1.00 34.62 O HETATM 2782 O HOH 290 20.265 69.471 4.864 1.00 34.17 O HETATM 2783 O HOH 291 27.764 65.676 7.610 1.00 19.45 O HETATM 2784 O HOH 292 29.259 64.377 16.272 1.00 23.35 O HETATM 2785 O HOH 293 32.682 66.459 11.904 1.00 9.95 O HETATM 2786 O HOH 294 34.475 71.325 19.628 1.00 17.15 O HETATM 2787 O HOH 295 33.063 70.688 22.918 1.00 16.80 O HETATM 2788 O HOH 296 42.383 65.862 22.446 1.00 10.52 O HETATM 2789 O HOH 297 47.940 61.660 20.850 1.00 24.05 O HETATM 2790 O HOH 298 45.006 66.528 17.968 1.00 24.44 O HETATM 2791 O HOH 299 45.022 62.310 28.434 1.00 32.21 O HETATM 2792 O HOH 300 43.217 65.494 29.456 1.00 14.60 O HETATM 2793 O HOH 301 48.863 63.708 24.886 1.00 34.55 O HETATM 2794 O HOH 302 41.295 66.698 28.980 1.00 21.87 O HETATM 2795 O HOH 303 36.242 67.680 26.209 1.00 14.95 O HETATM 2796 O HOH 304 38.811 69.163 12.957 1.00 17.71 O HETATM 2797 O HOH 305 34.206 69.545 10.360 1.00 30.21 O HETATM 2798 O HOH 306 44.440 51.769 -5.464 1.00 28.47 O HETATM 2799 O HOH 307 34.534 64.974 5.124 1.00 23.26 O HETATM 2800 O HOH 308 31.103 68.664 11.464 1.00 8.17 O HETATM 2801 O HOH 309 27.587 68.187 8.679 1.00 33.18 O HETATM 2802 O HOH 310 29.443 63.350 -0.411 1.00 24.22 O HETATM 2803 O HOH 311 33.158 65.208 -0.257 1.00 35.56 O HETATM 2804 O HOH 312 30.121 66.484 1.628 1.00 33.21 O HETATM 2805 O HOH 313 25.491 57.930 2.855 1.00 26.73 O HETATM 2806 O HOH 314 28.453 59.450 2.307 1.00 16.39 O HETATM 2807 O HOH 315 17.420 60.957 6.626 1.00 34.77 O HETATM 2808 O HOH 316 31.631 50.448 13.697 1.00 14.86 O HETATM 2809 O HOH 317 37.826 47.422 13.899 1.00 37.24 O HETATM 2810 O HOH 318 40.888 48.852 15.918 1.00 25.78 O HETATM 2811 O HOH 319 46.195 48.180 14.359 1.00 16.74 O HETATM 2812 O HOH 320 54.470 53.556 9.443 1.00 28.03 O HETATM 2813 O HOH 321 52.982 47.646 11.773 1.00 20.65 O HETATM 2814 O HOH 322 49.442 55.200 17.326 1.00 31.33 O HETATM 2815 O HOH 323 56.236 54.846 16.171 1.00 33.20 O HETATM 2816 O HOH 324 56.230 54.050 13.455 1.00 33.21 O HETATM 2817 O HOH 325 48.602 58.691 12.579 1.00 23.38 O HETATM 2818 O HOH 326 48.308 57.658 8.538 1.00 26.91 O HETATM 2819 O HOH 327 43.144 55.391 0.265 1.00 25.36 O HETATM 2820 O HOH 328 26.323 56.551 0.568 1.00 21.28 O HETATM 2821 O HOH 329 19.816 54.088 -1.902 1.00 27.12 O HETATM 2822 O HOH 330 23.217 47.345 0.612 1.00 38.21 O HETATM 2823 O HOH 331 22.138 51.467 -3.684 1.00 35.02 O HETATM 2824 O HOH 332 26.203 50.084 -1.632 1.00 26.44 O HETATM 2825 O HOH 333 24.067 49.338 -3.630 1.00 32.78 O HETATM 2826 O HOH 334 16.578 50.827 -1.711 1.00 42.65 O HETATM 2827 O HOH 335 28.110 55.947 -3.252 1.00 31.97 O HETATM 2828 O HOH 336 32.765 53.803 -1.823 1.00 10.41 O HETATM 2829 O HOH 337 42.730 58.901 1.764 1.00 25.49 O HETATM 2830 O HOH 338 47.287 59.801 10.278 1.00 32.54 O HETATM 2831 O HOH 339 44.805 60.611 3.699 1.00 15.06 O HETATM 2832 O HOH 340 44.587 58.258 -0.257 1.00 35.81 O HETATM 2833 O HOH 341 48.362 62.758 9.814 1.00 38.38 O HETATM 2834 O HOH 342 46.599 63.831 0.055 1.00 24.20 O HETATM 2835 O HOH 343 44.161 63.274 0.998 1.00 26.95 O HETATM 2836 O HOH 344 43.989 66.936 2.827 1.00 27.92 O HETATM 2837 O HOH 345 47.343 68.812 5.835 1.00 42.35 O HETATM 2838 O HOH 346 41.891 64.418 0.142 1.00 23.43 O HETATM 2839 O HOH 347 37.338 61.712 -2.648 1.00 32.22 O HETATM 2840 O HOH 348 34.819 55.174 -5.489 1.00 35.52 O HETATM 2841 O HOH 349 31.000 55.116 -4.007 1.00 33.42 O HETATM 2842 O HOH 350 34.528 47.724 -5.577 1.00 29.05 O HETATM 2843 O HOH 351 27.997 50.289 -3.677 1.00 31.91 O HETATM 2844 O HOH 352 32.062 47.798 -9.867 1.00 43.72 O HETATM 2845 O HOH 353 46.692 65.213 10.717 1.00 24.19 O HETATM 2846 O HOH 354 44.316 71.591 18.122 1.00 12.73 O HETATM 2847 O HOH 355 38.184 70.502 10.269 1.00 18.66 O HETATM 2848 O HOH 356 38.837 73.637 10.419 1.00 33.86 O HETATM 2849 O HOH 357 37.276 72.222 4.349 1.00 33.82 O HETATM 2850 O HOH 358 41.212 50.911 -4.281 1.00 25.14 O HETATM 2851 O HOH 359 44.147 50.519 -3.946 1.00 20.62 O HETATM 2852 O HOH 360 45.219 50.420 -1.361 1.00 41.22 O HETATM 2853 O HOH 361 41.157 54.771 -3.493 1.00 30.57 O HETATM 2854 O HOH 362 45.122 54.917 -2.915 1.00 35.12 O HETATM 2855 C1 FUC A 363 41.766 64.567 13.044 1.00 0.19 C HETATM 2856 C2 FUC A 363 40.383 64.592 12.459 1.00 0.13 C HETATM 2857 C3 FUC A 363 40.325 63.810 11.166 1.00 0.11 C HETATM 2858 C4 FUC A 363 40.813 62.399 11.435 1.00 0.11 C HETATM 2859 C5 FUC A 363 42.226 62.452 12.001 1.00 0.09 C HETATM 2860 C6 FUC A 363 42.772 61.037 12.212 1.00 -0.04 C HETATM 2861 H6 FUC A 363 43.792 61.095 12.621 1.00 0.03 H HETATM 2862 H7 FUC A 363 42.792 60.504 11.250 1.00 0.03 H HETATM 2863 H8 FUC A 363 42.124 60.495 12.917 1.00 0.03 H HETATM 2864 O5 FUC A 363 42.200 63.211 13.190 1.00 -0.34 O HETATM 2865 H5 FUC A 363 42.879 62.963 11.278 1.00 0.06 H HETATM 2866 O4 FUC A 363 39.958 61.744 12.356 1.00 -0.39 O HETATM 2867 H11 FUC A 363 39.077 61.712 12.001 1.00 0.21 H HETATM 2868 H4 FUC A 363 40.821 61.836 10.490 1.00 0.06 H HETATM 2869 O3 FUC A 363 38.997 63.829 10.625 1.00 -0.39 O HETATM 2870 H10 FUC A 363 38.400 63.422 11.241 1.00 0.21 H HETATM 2871 H3 FUC A 363 40.999 64.280 10.435 1.00 0.06 H HETATM 2872 O2 FUC A 363 39.950 65.910 12.169 1.00 -0.38 O HETATM 2873 H9 FUC A 363 40.525 66.295 11.518 1.00 0.21 H HETATM 2874 H2 FUC A 363 39.693 64.140 13.187 1.00 0.07 H HETATM 2875 O3 FUC A 363 42.686 65.333 12.264 1.00 -0.34 O HETATM 2876 C3 FUC A 363 43.699 66.084 12.933 1.00 0.12 C HETATM 2877 C2 FUC A 363 44.586 65.254 13.836 1.00 0.12 C HETATM 2878 C1 FUC A 363 45.633 66.152 14.516 1.00 0.18 C HETATM 2879 O FUC A 363 45.031 67.207 15.289 1.00 -0.34 O HETATM 2880 C5 FUC A 363 44.144 68.056 14.553 1.00 0.11 C HETATM 2881 C4 FUC A 363 43.073 67.224 13.832 1.00 0.12 C HETATM 2882 O4 FUC A 363 42.133 67.973 13.088 1.00 -0.34 O HETATM 2883 C1 FUC A 363 42.632 68.954 12.114 1.00 0.19 C HETATM 2884 C2 FUC A 363 41.645 69.054 11.004 1.00 0.13 C HETATM 2885 C3 FUC A 363 41.877 70.262 10.073 1.00 0.12 C HETATM 2886 C4 FUC A 363 42.169 71.514 10.896 1.00 0.11 C HETATM 2887 C5 FUC A 363 43.263 71.231 11.914 1.00 0.11 C HETATM 2888 C6 FUC A 363 43.583 72.465 12.729 1.00 0.07 C HETATM 2889 O6 FUC A 363 44.491 72.145 13.790 1.00 -0.39 O HETATM 2890 H34 FUC A 363 44.096 71.494 14.358 1.00 0.21 H HETATM 2891 H30 FUC A 363 42.653 72.867 13.158 1.00 0.06 H HETATM 2892 H31 FUC A 363 44.042 73.221 12.075 1.00 0.06 H HETATM 2893 O5 FUC A 363 42.845 70.171 12.820 1.00 -0.34 O HETATM 2894 H29 FUC A 363 44.169 70.912 11.378 1.00 0.06 H HETATM 2895 O4 FUC A 363 40.946 71.966 11.483 1.00 -0.39 O HETATM 2896 H33 FUC A 363 40.307 72.124 10.798 1.00 0.21 H HETATM 2897 H28 FUC A 363 42.535 72.302 10.222 1.00 0.06 H HETATM 2898 O3 FUC A 363 40.729 70.476 9.258 1.00 -0.34 O HETATM 2899 C2 FUC A 363 40.926 70.344 7.782 1.00 0.22 C HETATM 2900 C1 FUC A 363 41.828 71.477 7.298 1.00 0.10 C HETATM 2901 O1A FUC A 363 41.349 72.636 7.320 1.00 -0.54 O HETATM 2902 O1B FUC A 363 43.038 71.239 6.992 1.00 -0.54 O HETATM 2903 C3 FUC A 363 39.541 70.446 7.126 1.00 0.04 C HETATM 2904 C4 FUC A 363 39.536 69.914 5.695 1.00 0.09 C HETATM 2905 C5 FUC A 363 40.244 68.566 5.578 1.00 0.10 C HETATM 2906 C6 FUC A 363 41.643 68.736 6.102 1.00 0.11 C HETATM 2907 C7 FUC A 363 42.549 67.504 6.069 1.00 0.11 C HETATM 2908 C8 FUC A 363 43.843 67.731 6.812 1.00 0.11 C HETATM 2909 C9 FUC A 363 44.822 66.588 6.573 1.00 0.07 C HETATM 2910 O9 FUC A 363 45.971 66.856 7.417 1.00 -0.39 O HETATM 2911 H51 FUC A 363 46.354 67.691 7.173 1.00 0.21 H HETATM 2912 H42 FUC A 363 45.124 66.559 5.516 1.00 0.06 H HETATM 2913 H43 FUC A 363 44.362 65.628 6.849 1.00 0.06 H HETATM 2914 O8 FUC A 363 44.461 68.979 6.421 1.00 -0.39 O HETATM 2915 H50 FUC A 363 43.852 69.693 6.569 1.00 0.21 H HETATM 2916 H41 FUC A 363 43.616 67.777 7.887 1.00 0.06 H HETATM 2917 O7 FUC A 363 41.849 66.462 6.756 1.00 -0.39 O HETATM 2918 H49 FUC A 363 41.025 66.291 6.315 1.00 0.21 H HETATM 2919 H40 FUC A 363 42.759 67.219 5.028 1.00 0.06 H HETATM 2920 O6 FUC A 363 41.560 69.085 7.506 1.00 -0.34 O HETATM 2921 H39 FUC A 363 42.124 69.544 5.531 1.00 0.06 H HETATM 2922 N5 FUC A 363 40.156 68.149 4.164 1.00 -0.28 N HETATM 2923 C10 FUC A 363 40.074 66.855 3.824 1.00 0.17 C HETATM 2924 C11 FUC A 363 40.006 66.596 2.354 1.00 0.03 C HETATM 2925 H44 FUC A 363 39.941 65.513 2.175 1.00 0.05 H HETATM 2926 H45 FUC A 363 40.910 66.994 1.869 1.00 0.05 H HETATM 2927 H46 FUC A 363 39.117 67.091 1.935 1.00 0.05 H HETATM 2928 O10 FUC A 363 40.112 65.973 4.643 1.00 -0.40 O HETATM 2929 H47 FUC A 363 40.158 68.845 3.446 1.00 0.19 H HETATM 2930 H38 FUC A 363 39.730 67.816 6.197 1.00 0.06 H HETATM 2931 O4 FUC A 363 38.192 69.841 5.276 1.00 -0.39 O HETATM 2932 H48 FUC A 363 37.787 70.696 5.364 1.00 0.21 H HETATM 2933 H37 FUC A 363 40.068 70.630 5.051 1.00 0.06 H HETATM 2934 H35 FUC A 363 39.233 71.502 7.112 1.00 0.03 H HETATM 2935 H36 FUC A 363 38.824 69.863 7.722 1.00 0.03 H HETATM 2936 H27 FUC A 363 42.741 70.052 9.425 1.00 0.07 H HETATM 2937 O2 FUC A 363 41.640 67.851 10.212 1.00 -0.38 O HETATM 2938 H32 FUC A 363 41.498 67.101 10.778 1.00 0.21 H HETATM 2939 H26 FUC A 363 40.651 69.170 11.460 1.00 0.07 H HETATM 2940 H25 FUC A 363 43.592 68.615 11.698 1.00 0.09 H HETATM 2941 H15 FUC A 363 42.502 66.721 14.627 1.00 0.07 H HETATM 2942 C6 FUC A 363 43.475 68.955 15.578 1.00 0.07 C HETATM 2943 O6 FUC A 363 44.306 70.109 15.734 1.00 -0.39 O HETATM 2944 H22 FUC A 363 44.386 70.555 14.899 1.00 0.21 H HETATM 2945 H17 FUC A 363 43.380 68.427 16.538 1.00 0.06 H HETATM 2946 H18 FUC A 363 42.477 69.254 15.223 1.00 0.06 H HETATM 2947 H16 FUC A 363 44.706 68.654 13.820 1.00 0.06 H HETATM 2948 O1L FUC A 363 46.445 66.738 13.540 1.00 -0.37 O HETATM 2949 H24 FUC A 363 46.852 66.057 13.018 1.00 0.21 H HETATM 2950 H12 FUC A 363 46.250 65.531 15.182 1.00 0.09 H HETATM 2951 N2 FUC A 363 45.309 64.225 13.094 1.00 -0.28 N HETATM 2952 C7 FUC A 363 45.578 63.063 13.709 1.00 0.17 C HETATM 2953 C8 FUC A 363 46.371 62.066 12.943 1.00 0.03 C HETATM 2954 H19 FUC A 363 46.582 62.460 11.938 1.00 0.05 H HETATM 2955 H20 FUC A 363 45.799 61.130 12.858 1.00 0.05 H HETATM 2956 H21 FUC A 363 47.318 61.871 13.467 1.00 0.05 H HETATM 2957 O7 FUC A 363 45.250 62.782 14.869 1.00 -0.40 O HETATM 2958 H23 FUC A 363 45.597 64.383 12.149 1.00 0.19 H HETATM 2959 H13 FUC A 363 43.959 64.774 14.602 1.00 0.06 H HETATM 2960 H14 FUC A 363 44.330 66.547 12.160 1.00 0.06 H HETATM 2961 H1 FUC A 363 41.720 65.020 14.045 1.00 0.09 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 831 832 838 839 840 CONECT 838 831 CONECT 839 831 CONECT 840 831 CONECT 1661 1662 1665 1666 1667 CONECT 1665 1661 CONECT 1666 1661 CONECT 1667 1661 CONECT 2855 2856 2864 2875 2961 CONECT 2856 2855 2857 2872 2874 CONECT 2857 2856 2858 2869 2871 CONECT 2858 2857 2859 2866 2868 CONECT 2859 2858 2860 2864 2865 CONECT 2860 2859 2861 2862 2863 CONECT 2861 2860 CONECT 2862 2860 CONECT 2863 2860 CONECT 2864 2855 2859 CONECT 2865 2859 CONECT 2866 2858 2867 CONECT 2867 2866 CONECT 2868 2858 CONECT 2869 2857 2870 CONECT 2870 2869 CONECT 2871 2857 CONECT 2872 2856 2873 CONECT 2873 2872 CONECT 2874 2856 CONECT 2875 2855 2876 CONECT 2876 2875 2877 2881 2960 CONECT 2877 2876 2878 2951 2959 CONECT 2878 2877 2879 2948 2950 CONECT 2879 2878 2880 CONECT 2880 2879 2881 2942 2947 CONECT 2881 2876 2880 2882 2941 CONECT 2882 2881 2883 CONECT 2883 2882 2884 2893 2940 CONECT 2884 2883 2885 2937 2939 CONECT 2885 2884 2886 2898 2936 CONECT 2886 2885 2887 2895 2897 CONECT 2887 2886 2888 2893 2894 CONECT 2888 2887 2889 2891 2892 CONECT 2889 2888 2890 CONECT 2890 2889 CONECT 2891 2888 CONECT 2892 2888 CONECT 2893 2883 2887 CONECT 2894 2887 CONECT 2895 2886 2896 CONECT 2896 2895 CONECT 2897 2886 CONECT 2898 2885 2899 CONECT 2899 2898 2900 2903 2920 CONECT 2900 2899 2901 2902 CONECT 2901 2900 CONECT 2902 2900 CONECT 2903 2899 2904 2934 2935 CONECT 2904 2903 2905 2931 2933 CONECT 2905 2904 2906 2922 2930 CONECT 2906 2905 2907 2920 2921 CONECT 2907 2906 2908 2917 2919 CONECT 2908 2907 2909 2914 2916 CONECT 2909 2908 2910 2912 2913 CONECT 2910 2909 2911 CONECT 2911 2910 CONECT 2912 2909 CONECT 2913 2909 CONECT 2914 2908 2915 CONECT 2915 2914 CONECT 2916 2908 CONECT 2917 2907 2918 CONECT 2918 2917 CONECT 2919 2907 CONECT 2920 2899 2906 CONECT 2921 2906 CONECT 2922 2905 2923 2929 CONECT 2923 2922 2924 2928 CONECT 2924 2923 2925 2926 2927 CONECT 2925 2924 CONECT 2926 2924 CONECT 2927 2924 CONECT 2928 2923 CONECT 2929 2922 CONECT 2930 2905 CONECT 2931 2904 2932 CONECT 2932 2931 CONECT 2933 2904 CONECT 2934 2903 CONECT 2935 2903 CONECT 2936 2885 CONECT 2937 2884 2938 CONECT 2938 2937 CONECT 2939 2884 CONECT 2940 2883 CONECT 2941 2881 CONECT 2942 2880 2943 2945 2946 CONECT 2943 2942 2944 CONECT 2944 2943 CONECT 2945 2942 CONECT 2946 2942 CONECT 2947 2880 CONECT 2948 2878 2949 CONECT 2949 2948 CONECT 2950 2878 CONECT 2951 2877 2952 2958 CONECT 2952 2951 2953 2957 CONECT 2953 2952 2954 2955 2956 CONECT 2954 2953 CONECT 2955 2953 CONECT 2956 2953 CONECT 2957 2952 CONECT 2958 2951 CONECT 2959 2877 CONECT 2960 2876 CONECT 2961 2855 MASTER 0 0 0 0 0 0 0 0 2958 3 119 21 END
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Protein Sequence Similarity
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4-mer
2i3h
RCSB PDB
PDBbind
4-mer
2n7b
RCSB PDB
PDBbind
4-mer
2psx
RCSB PDB
PDBbind
4-mer
2vsl
RCSB PDB
PDBbind
4-mer
2x6w
RCSB PDB
PDBbind
4-mer
2x6y
RCSB PDB
PDBbind
4-mer
2x85
RCSB PDB
PDBbind
4-mer
2xe4
RCSB PDB
PDBbind
4-mer
3che
RCSB PDB
PDBbind
4-mer
3d3x
RCSB PDB
PDBbind
4-mer
3jzg
RCSB PDB
PDBbind
4-mer
3k0k
RCSB PDB
PDBbind
4-mer
3k16
RCSB PDB
PDBbind
4-mer
3mp6
RCSB PDB
PDBbind
4-mer
3nii
RCSB PDB
PDBbind
4-mer
3nij
RCSB PDB
PDBbind
4-mer
3nik
RCSB PDB
PDBbind
4-mer
3nil
RCSB PDB
PDBbind
4-mer
3nim
RCSB PDB
PDBbind
4-mer
3ny3
RCSB PDB
PDBbind
4-mer
3qmk
RCSB PDB
PDBbind
4-mer
3t1n
RCSB PDB
PDBbind
4-mer
3t4p
RCSB PDB
PDBbind
4-mer
3u3z
RCSB PDB
PDBbind
4-mer
3uec
RCSB PDB
PDBbind
4-mer
3ut5
RCSB PDB
PDBbind
4-mer
3uw4
RCSB PDB
PDBbind
4-mer
3uw5
RCSB PDB
PDBbind
4-mer
3zyb
RCSB PDB
PDBbind
4-mer
4b9h
RCSB PDB
PDBbind
4-mer
4c16
RCSB PDB
PDBbind
4-mer
4c1t
RCSB PDB
PDBbind
4-mer
4dxg
RCSB PDB
PDBbind
4-mer
4fgt
RCSB PDB
PDBbind
4-mer
4fzc
RCSB PDB
PDBbind
4-mer
4fzg
RCSB PDB
PDBbind
4-mer
4gk7
RCSB PDB
PDBbind
4-mer
4hp0
RCSB PDB
PDBbind
4-mer
4i67
RCSB PDB
PDBbind
4-mer
4imq
RCSB PDB
PDBbind
4-mer
4imz
RCSB PDB
PDBbind
4-mer
4in9
RCSB PDB
PDBbind
4-mer
4inh
RCSB PDB
PDBbind
4-mer
4j44
RCSB PDB
PDBbind
4-mer
4j45
RCSB PDB
PDBbind
4-mer
4j46
RCSB PDB
PDBbind
4-mer
4j47
RCSB PDB
PDBbind
4-mer
4j48
RCSB PDB
PDBbind
4-mer
4k63
RCSB PDB
PDBbind
4-mer
4k66
RCSB PDB
PDBbind
4-mer
4kom
RCSB PDB
PDBbind
4-mer
4kx8
RCSB PDB
PDBbind
4-mer
4lkd
RCSB PDB
PDBbind
4-mer
4lke
RCSB PDB
PDBbind
4-mer
4lkf
RCSB PDB
PDBbind
4-mer
4mbp
RCSB PDB
PDBbind
4-mer
4q4i
RCSB PDB
PDBbind
4-mer
4trw
RCSB PDB
PDBbind
4-mer
4trz
RCSB PDB
PDBbind
4-mer
4x0z
RCSB PDB
PDBbind
4-mer
4x14
RCSB PDB
PDBbind
4-mer
4z7n
RCSB PDB
PDBbind
4-mer
4z7o
RCSB PDB
PDBbind
4-mer
5ab1
RCSB PDB
PDBbind
4-mer
5azf
RCSB PDB
PDBbind
4-mer
5btv
RCSB PDB
PDBbind
4-mer
5e6o
RCSB PDB
PDBbind
4-mer
5efj
RCSB PDB
PDBbind
4-mer
5f2u
RCSB PDB
PDBbind
4-mer
5f90
RCSB PDB
PDBbind
4-mer
5izj
RCSB PDB
PDBbind
4-mer
5jop
RCSB PDB
PDBbind
4-mer
5jy0
RCSB PDB
PDBbind
4-mer
5tdb
RCSB PDB
PDBbind
4-mer
5vi6
RCSB PDB
PDBbind
4-mer
5wxp
RCSB PDB
PDBbind
4-mer
5yzd
RCSB PDB
PDBbind
4-mer
5zmq
RCSB PDB
PDBbind
4-mer
5zms
RCSB PDB
PDBbind
4-mer
6cct
RCSB PDB
PDBbind
4-mer
6ccu
RCSB PDB
PDBbind
4-mer
6cd8
RCSB PDB
PDBbind
4-mer
6cd9
RCSB PDB
PDBbind
4-mer
6cdc
RCSB PDB
PDBbind
4-mer
6m8w
RCSB PDB
PDBbind
4-mer
6m8y
RCSB PDB
PDBbind
4-mer
6m9f
RCSB PDB
PDBbind
4-mer
6msy
RCSB PDB
PDBbind
4-mer
6mu3
RCSB PDB
PDBbind
4-mer
6pu3
RCSB PDB
PDBbind
4-mer
6prg
RCSB PDB
PDBbind
4-mer
6n3f
RCSB PDB
PDBbind
4-mer
6jjn
RCSB PDB
PDBbind
4-mer
6jjm
RCSB PDB
PDBbind
4-mer
6hop
RCSB PDB
PDBbind
4-mer
Entry Information
PDB ID
5ajc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Lectin
Ligand Name
4-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=58uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Chem.Biol. Vol. 11: pp. 2011-2020
Ligand Properties
Formula
C
3
1
H
5
2
N
2
O
2
3
Molecular Weight
820.744
Exact Mass
820.296
No. of atoms
108
No. of bonds
111
Polar Surface Area
402.87
LOGP Value
-7.42 (
Computed with XLOGP3
)
-8.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 4
Canonical SMILES
OC[C@H]([C@H]([C@@H]1O[C@](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)NC(=O)C)O)(C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
InChI String
InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27-,28-,29-,31-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A0S4TLR1
Entrez Gene ID
NCBI Entrez Gene ID:
61365535
ASD
Information of known allosteric effects of PDB entries
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