Browse entries in the PDBbind-CN Database
HEADER 4JNJ_COMPLEX COMPND 4JNJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 GLY ALA GLU ALA GLY ILE THR GLY THR TRP TYR ASN GLN SEQRES 2 A 115 SER GLY SER THR PHE THR VAL THR ALA GLY ALA ASP GLY SEQRES 3 A 115 ASN LEU THR GLY GLN TYR GLU ASN ARG ALA GLN GLY THR SEQRES 4 A 115 GLY CYS GLN ASN SER PRO TYR THR LEU THR GLY ARG TYR SEQRES 5 A 115 ASN GLY THR LYS LEU GLU TRP ARG VAL GLU TRP ASN ASN SEQRES 6 A 115 SER THR GLU ASN CYS HIS SER ARG THR GLU TRP ARG GLY SEQRES 7 A 115 GLN TYR GLN GLY GLY ALA GLU ALA ARG ILE ASN THR GLN SEQRES 8 A 115 TRP ASN LEU THR TYR GLU GLY GLY SER GLY PRO ALA THR SEQRES 9 A 115 GLU GLN GLY GLN ASP THR PHE THR LYS VAL LYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET BTN A 191 31 SSBOND 1 CYS A 50 CYS A 86 ATOM 1 N GLY A 12 36.636 15.137 -49.728 1.00 20.88 N ATOM 2 CA GLY A 12 36.465 15.762 -48.424 1.00 20.53 C ATOM 3 C GLY A 12 37.256 14.989 -47.386 1.00 24.92 C ATOM 4 O GLY A 12 38.193 14.252 -47.736 1.00 27.48 O ATOM 5 HA3 GLY A 12 35.409 15.758 -48.154 1.00 0.00 H ATOM 6 HA2 GLY A 12 36.824 16.790 -48.464 1.00 0.00 H ATOM 7 HN3 GLY A 12 36.292 14.156 -49.689 1.00 0.00 H ATOM 8 HN2 GLY A 12 37.644 15.142 -49.984 1.00 0.00 H ATOM 9 HN1 GLY A 12 36.093 15.668 -50.439 1.00 0.00 H ATOM 10 N ALA A 13 36.889 15.149 -46.115 1.00 25.65 N ATOM 11 CA ALA A 13 37.646 14.565 -45.011 1.00 27.04 C ATOM 12 C ALA A 13 37.645 13.038 -45.026 1.00 28.22 C ATOM 13 O ALA A 13 38.549 12.418 -44.460 1.00 31.71 O ATOM 14 CB ALA A 13 37.123 15.096 -43.651 1.00 26.12 C ATOM 15 HA ALA A 13 38.682 14.877 -45.146 1.00 0.00 H ATOM 16 HB1 ALA A 13 37.231 16.180 -43.620 1.00 0.00 H ATOM 17 HB2 ALA A 13 36.072 14.831 -43.539 1.00 0.00 H ATOM 18 HB3 ALA A 13 37.700 14.649 -42.842 1.00 0.00 H ATOM 19 H ALA A 13 36.037 15.707 -45.903 1.00 0.00 H ATOM 20 N GLU A 14 36.647 12.444 -45.682 1.00 25.45 N ATOM 21 CA GLU A 14 36.399 11.012 -45.573 1.00 24.87 C ATOM 22 C GLU A 14 37.638 10.195 -45.915 1.00 28.64 C ATOM 23 O GLU A 14 37.859 9.118 -45.354 1.00 22.68 O ATOM 24 CB GLU A 14 35.179 10.576 -46.403 1.00 24.27 C ATOM 25 CG GLU A 14 35.361 10.569 -47.936 1.00 20.90 C ATOM 26 CD GLU A 14 35.264 11.953 -48.584 1.00 21.14 C ATOM 27 OE1 GLU A 14 35.066 12.965 -47.877 1.00 19.18 O ATOM 28 OE2 GLU A 14 35.381 12.020 -49.827 1.00 17.42 O ATOM 29 HA GLU A 14 36.161 10.809 -44.529 1.00 0.00 H ATOM 30 HB2 GLU A 14 34.912 9.565 -46.095 1.00 0.00 H ATOM 31 HB3 GLU A 14 34.358 11.254 -46.169 1.00 0.00 H ATOM 32 HG2 GLU A 14 36.343 10.153 -48.162 1.00 0.00 H ATOM 33 HG3 GLU A 14 34.589 9.933 -48.370 1.00 0.00 H ATOM 34 H GLU A 14 36.028 13.019 -46.289 1.00 0.00 H ATOM 35 N ALA A 15 38.461 10.748 -46.804 1.00 27.19 N ATOM 36 CA ALA A 15 39.732 10.154 -47.201 1.00 27.58 C ATOM 37 C ALA A 15 40.652 9.781 -46.035 1.00 30.28 C ATOM 38 O ALA A 15 41.330 8.755 -46.082 1.00 37.17 O ATOM 39 CB ALA A 15 40.454 11.091 -48.162 1.00 33.10 C ATOM 40 HA ALA A 15 39.486 9.211 -47.689 1.00 0.00 H ATOM 41 HB1 ALA A 15 39.836 11.250 -49.045 1.00 0.00 H ATOM 42 HB2 ALA A 15 40.637 12.045 -47.668 1.00 0.00 H ATOM 43 HB3 ALA A 15 41.404 10.645 -48.457 1.00 0.00 H ATOM 44 H ALA A 15 38.182 11.651 -47.238 1.00 0.00 H ATOM 45 N GLY A 16 40.667 10.605 -44.989 1.00 32.09 N ATOM 46 CA GLY A 16 41.523 10.357 -43.839 1.00 33.25 C ATOM 47 C GLY A 16 41.105 9.164 -43.002 1.00 29.42 C ATOM 48 O GLY A 16 41.895 8.636 -42.219 1.00 32.79 O ATOM 49 HA3 GLY A 16 41.509 11.243 -43.204 1.00 0.00 H ATOM 50 HA2 GLY A 16 42.538 10.185 -44.198 1.00 0.00 H ATOM 51 H GLY A 16 40.053 11.445 -44.994 1.00 0.00 H ATOM 52 N ILE A 17 39.861 8.731 -43.158 1.00 26.03 N ATOM 53 CA ILE A 17 39.333 7.674 -42.300 1.00 28.20 C ATOM 54 C ILE A 17 39.346 6.317 -42.988 1.00 29.49 C ATOM 55 O ILE A 17 39.744 5.308 -42.392 1.00 28.33 O ATOM 56 CB ILE A 17 37.907 8.012 -41.816 1.00 25.45 C ATOM 57 CG1 ILE A 17 37.953 9.275 -40.950 1.00 25.64 C ATOM 58 CG2 ILE A 17 37.291 6.835 -41.059 1.00 23.46 C ATOM 59 CD1 ILE A 17 36.634 9.650 -40.332 1.00 25.21 C ATOM 60 HA ILE A 17 39.993 7.613 -41.435 1.00 0.00 H ATOM 61 HB ILE A 17 37.270 8.202 -42.680 1.00 0.00 H ATOM 62 HG12 ILE A 17 38.673 9.113 -40.147 1.00 0.00 H ATOM 63 HG13 ILE A 17 38.286 10.105 -41.573 1.00 0.00 H ATOM 64 HD11 ILE A 17 35.903 9.829 -41.120 1.00 0.00 H ATOM 65 HD12 ILE A 17 36.289 8.837 -39.693 1.00 0.00 H ATOM 66 HD13 ILE A 17 36.757 10.554 -39.736 1.00 0.00 H ATOM 67 HG21 ILE A 17 37.241 5.968 -41.717 1.00 0.00 H ATOM 68 HG22 ILE A 17 37.908 6.599 -40.192 1.00 0.00 H ATOM 69 HG23 ILE A 17 36.287 7.102 -40.730 1.00 0.00 H ATOM 70 H ILE A 17 39.258 9.147 -43.896 1.00 0.00 H ATOM 71 N THR A 18 38.910 6.301 -44.243 1.00 24.29 N ATOM 72 CA THR A 18 38.792 5.059 -45.002 1.00 22.86 C ATOM 73 C THR A 18 40.124 4.317 -45.076 1.00 28.50 C ATOM 74 O THR A 18 41.173 4.925 -45.324 1.00 22.90 O ATOM 75 CB THR A 18 38.256 5.305 -46.418 1.00 25.20 C ATOM 76 OG1 THR A 18 36.952 5.880 -46.342 1.00 20.05 O ATOM 77 CG2 THR A 18 38.174 3.998 -47.206 1.00 25.73 C ATOM 78 HA THR A 18 38.076 4.436 -44.466 1.00 0.00 H ATOM 79 HB THR A 18 38.940 5.983 -46.928 1.00 0.00 H ATOM 80 HG1 THR A 18 36.608 6.038 -47.257 1.00 0.00 H ATOM 81 HG23 THR A 18 39.166 3.551 -47.270 1.00 0.00 H ATOM 82 HG21 THR A 18 37.496 3.311 -46.699 1.00 0.00 H ATOM 83 HG22 THR A 18 37.801 4.203 -48.210 1.00 0.00 H ATOM 84 H THR A 18 38.645 7.198 -44.698 1.00 0.00 H ATOM 85 N GLY A 19 40.070 3.009 -44.818 1.00 23.88 N ATOM 86 CA GLY A 19 41.244 2.158 -44.833 1.00 25.56 C ATOM 87 C GLY A 19 41.204 1.085 -43.754 1.00 24.77 C ATOM 88 O GLY A 19 40.131 0.696 -43.285 1.00 23.86 O ATOM 89 HA3 GLY A 19 42.127 2.778 -44.676 1.00 0.00 H ATOM 90 HA2 GLY A 19 41.311 1.672 -45.806 1.00 0.00 H ATOM 91 H GLY A 19 39.148 2.582 -44.597 1.00 0.00 H ATOM 92 N THR A 20 42.383 0.616 -43.361 1.00 25.48 N ATOM 93 CA THR A 20 42.510 -0.431 -42.347 1.00 25.34 C ATOM 94 C THR A 20 43.208 0.071 -41.089 1.00 24.51 C ATOM 95 O THR A 20 44.234 0.746 -41.143 1.00 26.98 O ATOM 96 CB THR A 20 43.209 -1.684 -42.924 1.00 25.99 C ATOM 97 OG1 THR A 20 42.405 -2.214 -43.988 1.00 26.46 O ATOM 98 CG2 THR A 20 43.383 -2.766 -41.845 1.00 23.36 C ATOM 99 HA THR A 20 41.501 -0.719 -42.052 1.00 0.00 H ATOM 100 HB THR A 20 44.195 -1.396 -43.289 1.00 0.00 H ATOM 101 HG1 THR A 20 41.513 -2.459 -43.635 1.00 0.00 H ATOM 102 HG23 THR A 20 43.993 -2.372 -41.032 1.00 0.00 H ATOM 103 HG21 THR A 20 42.405 -3.054 -41.460 1.00 0.00 H ATOM 104 HG22 THR A 20 43.874 -3.636 -42.281 1.00 0.00 H ATOM 105 H THR A 20 43.246 1.007 -43.789 1.00 0.00 H ATOM 106 N TRP A 21 42.620 -0.238 -39.941 1.00 27.76 N ATOM 107 CA TRP A 21 43.130 0.253 -38.670 1.00 24.31 C ATOM 108 C TRP A 21 43.414 -0.928 -37.742 1.00 24.00 C ATOM 109 O TRP A 21 42.835 -1.996 -37.910 1.00 22.99 O ATOM 110 CB TRP A 21 42.089 1.173 -38.032 1.00 24.93 C ATOM 111 CG TRP A 21 41.799 2.416 -38.816 1.00 25.39 C ATOM 112 CD1 TRP A 21 41.037 2.524 -39.949 1.00 25.49 C ATOM 113 CD2 TRP A 21 42.256 3.737 -38.515 1.00 26.00 C ATOM 114 NE1 TRP A 21 40.992 3.836 -40.366 1.00 25.50 N ATOM 115 CE2 TRP A 21 41.737 4.597 -39.505 1.00 23.43 C ATOM 116 CE3 TRP A 21 43.062 4.277 -37.506 1.00 24.85 C ATOM 117 CZ2 TRP A 21 41.995 5.963 -39.512 1.00 27.37 C ATOM 118 CZ3 TRP A 21 43.314 5.631 -37.518 1.00 26.64 C ATOM 119 CH2 TRP A 21 42.782 6.459 -38.509 1.00 26.81 C ATOM 120 HA TRP A 21 44.054 0.808 -38.835 1.00 0.00 H ATOM 121 HB2 TRP A 21 41.160 0.613 -37.923 1.00 0.00 H ATOM 122 HB3 TRP A 21 42.452 1.467 -37.047 1.00 0.00 H ATOM 123 HE1 TRP A 21 40.477 4.190 -41.197 1.00 0.00 H ATOM 124 HD1 TRP A 21 40.539 1.693 -40.448 1.00 0.00 H ATOM 125 HZ2 TRP A 21 41.586 6.613 -40.286 1.00 0.00 H ATOM 126 HH2 TRP A 21 42.999 7.527 -38.483 1.00 0.00 H ATOM 127 HZ3 TRP A 21 43.941 6.065 -36.739 1.00 0.00 H ATOM 128 HE3 TRP A 21 43.481 3.640 -36.727 1.00 0.00 H ATOM 129 H TRP A 21 41.775 -0.845 -39.950 1.00 0.00 H ATOM 130 N TYR A 22 44.305 -0.743 -36.774 1.00 22.50 N ATOM 131 CA TYR A 22 44.554 -1.783 -35.781 1.00 24.13 C ATOM 132 C TYR A 22 44.667 -1.181 -34.386 1.00 22.59 C ATOM 133 O TYR A 22 45.096 -0.033 -34.233 1.00 24.69 O ATOM 134 CB TYR A 22 45.806 -2.608 -36.131 1.00 26.70 C ATOM 135 CG TYR A 22 47.108 -1.842 -36.086 1.00 26.22 C ATOM 136 CD1 TYR A 22 47.912 -1.875 -34.957 1.00 31.04 C ATOM 137 CD2 TYR A 22 47.541 -1.096 -37.177 1.00 31.27 C ATOM 138 CE1 TYR A 22 49.099 -1.178 -34.893 1.00 31.32 C ATOM 139 CE2 TYR A 22 48.739 -0.390 -37.130 1.00 32.26 C ATOM 140 CZ TYR A 22 49.513 -0.444 -35.977 1.00 36.37 C ATOM 141 OH TYR A 22 50.706 0.239 -35.897 1.00 46.10 O ATOM 142 HA TYR A 22 43.702 -2.463 -35.790 1.00 0.00 H ATOM 143 HB3 TYR A 22 45.680 -3.003 -37.139 1.00 0.00 H ATOM 144 HB2 TYR A 22 45.875 -3.435 -35.424 1.00 0.00 H ATOM 145 HD2 TYR A 22 46.933 -1.064 -38.081 1.00 0.00 H ATOM 146 HE2 TYR A 22 49.067 0.198 -37.987 1.00 0.00 H ATOM 147 HE1 TYR A 22 49.705 -1.209 -33.988 1.00 0.00 H ATOM 148 HD1 TYR A 22 47.597 -2.467 -34.098 1.00 0.00 H ATOM 149 HH TYR A 22 51.115 0.084 -35.009 1.00 0.00 H ATOM 150 H TYR A 22 44.831 0.153 -36.723 1.00 0.00 H ATOM 151 N ASN A 23 44.281 -1.949 -33.366 1.00 23.96 N ATOM 152 CA ASN A 23 44.475 -1.493 -31.991 1.00 22.95 C ATOM 153 C ASN A 23 45.549 -2.242 -31.214 1.00 23.13 C ATOM 154 O ASN A 23 46.179 -3.169 -31.722 1.00 26.01 O ATOM 155 CB ASN A 23 43.155 -1.462 -31.197 1.00 21.84 C ATOM 156 CG ASN A 23 42.546 -2.842 -30.988 1.00 22.67 C ATOM 157 OD1 ASN A 23 43.220 -3.870 -31.109 1.00 21.60 O ATOM 158 ND2 ASN A 23 41.253 -2.864 -30.671 1.00 19.16 N ATOM 159 HA ASN A 23 44.845 -0.474 -32.101 1.00 0.00 H ATOM 160 HB2 ASN A 23 43.348 -1.017 -30.221 1.00 0.00 H ATOM 161 HB3 ASN A 23 42.438 -0.846 -31.740 1.00 0.00 H ATOM 162 HD22 ASN A 23 40.725 -1.973 -30.580 1.00 0.00 H ATOM 163 HD21 ASN A 23 40.771 -3.772 -30.515 1.00 0.00 H ATOM 164 H ASN A 23 43.841 -2.874 -33.549 1.00 0.00 H ATOM 165 N GLN A 24 45.731 -1.826 -29.969 1.00 24.60 N ATOM 166 CA GLN A 24 46.783 -2.353 -29.104 1.00 28.43 C ATOM 167 C GLN A 24 46.607 -3.840 -28.791 1.00 27.48 C ATOM 168 O GLN A 24 47.532 -4.477 -28.301 1.00 28.00 O ATOM 169 CB GLN A 24 46.866 -1.542 -27.808 1.00 24.88 C ATOM 170 CG GLN A 24 45.783 -1.890 -26.773 1.00 24.94 C ATOM 171 CD GLN A 24 44.406 -1.365 -27.140 1.00 25.22 C ATOM 172 OE1 GLN A 24 44.241 -0.587 -28.093 1.00 26.13 O ATOM 173 NE2 GLN A 24 43.403 -1.795 -26.387 1.00 24.50 N ATOM 174 HA GLN A 24 47.719 -2.255 -29.654 1.00 0.00 H ATOM 175 HB2 GLN A 24 47.841 -1.721 -27.355 1.00 0.00 H ATOM 176 HB3 GLN A 24 46.771 -0.486 -28.059 1.00 0.00 H ATOM 177 HG2 GLN A 24 45.727 -2.975 -26.683 1.00 0.00 H ATOM 178 HG3 GLN A 24 46.072 -1.462 -25.813 1.00 0.00 H ATOM 179 HE22 GLN A 24 43.587 -2.447 -25.598 1.00 0.00 H ATOM 180 HE21 GLN A 24 42.432 -1.480 -26.585 1.00 0.00 H ATOM 181 H GLN A 24 45.097 -1.093 -29.592 1.00 0.00 H ATOM 182 N SER A 25 45.432 -4.391 -29.098 1.00 24.58 N ATOM 183 CA SER A 25 45.170 -5.814 -28.874 1.00 26.05 C ATOM 184 C SER A 25 45.334 -6.660 -30.134 1.00 25.88 C ATOM 185 O SER A 25 45.156 -7.865 -30.082 1.00 27.35 O ATOM 186 CB SER A 25 43.766 -6.010 -28.305 1.00 22.77 C ATOM 187 OG SER A 25 43.658 -5.319 -27.072 1.00 23.80 O ATOM 188 HA SER A 25 45.918 -6.156 -28.158 1.00 0.00 H ATOM 189 HB2 SER A 25 43.583 -7.072 -28.144 1.00 0.00 H ATOM 190 HB3 SER A 25 43.030 -5.618 -29.008 1.00 0.00 H ATOM 191 HG SER A 25 44.327 -5.676 -26.435 1.00 0.00 H ATOM 192 H SER A 25 44.684 -3.795 -29.506 1.00 0.00 H ATOM 193 N GLY A 26 45.667 -6.021 -31.256 1.00 23.48 N ATOM 194 CA GLY A 26 45.839 -6.713 -32.524 1.00 22.73 C ATOM 195 C GLY A 26 44.562 -6.847 -33.337 1.00 22.63 C ATOM 196 O GLY A 26 44.569 -7.412 -34.434 1.00 25.40 O ATOM 197 HA3 GLY A 26 46.221 -7.713 -32.319 1.00 0.00 H ATOM 198 HA2 GLY A 26 46.567 -6.162 -33.119 1.00 0.00 H ATOM 199 H GLY A 26 45.809 -4.991 -31.223 1.00 0.00 H ATOM 200 N SER A 27 43.450 -6.353 -32.803 1.00 21.26 N ATOM 201 CA SER A 27 42.216 -6.330 -33.580 1.00 20.11 C ATOM 202 C SER A 27 42.417 -5.379 -34.742 1.00 19.13 C ATOM 203 O SER A 27 43.189 -4.429 -34.653 1.00 21.87 O ATOM 204 CB SER A 27 41.027 -5.866 -32.731 1.00 19.38 C ATOM 205 OG SER A 27 40.897 -6.657 -31.546 1.00 21.09 O ATOM 206 HA SER A 27 41.992 -7.337 -33.932 1.00 0.00 H ATOM 207 HB2 SER A 27 40.114 -5.954 -33.319 1.00 0.00 H ATOM 208 HB3 SER A 27 41.177 -4.824 -32.449 1.00 0.00 H ATOM 209 HG SER A 27 40.123 -6.335 -31.019 1.00 0.00 H ATOM 210 H SER A 27 43.460 -5.983 -31.831 1.00 0.00 H ATOM 211 N THR A 28 41.760 -5.668 -35.850 1.00 21.76 N ATOM 212 CA THR A 28 41.802 -4.779 -36.998 1.00 21.03 C ATOM 213 C THR A 28 40.390 -4.504 -37.430 1.00 21.00 C ATOM 214 O THR A 28 39.486 -5.316 -37.203 1.00 19.87 O ATOM 215 CB THR A 28 42.553 -5.404 -38.210 1.00 20.66 C ATOM 216 OG1 THR A 28 42.007 -6.691 -38.507 1.00 21.70 O ATOM 217 CG2 THR A 28 44.016 -5.565 -37.912 1.00 19.58 C ATOM 218 HA THR A 28 42.332 -3.875 -36.698 1.00 0.00 H ATOM 219 HB THR A 28 42.432 -4.733 -39.061 1.00 0.00 H ATOM 220 HG1 THR A 28 41.047 -6.598 -38.729 1.00 0.00 H ATOM 221 HG23 THR A 28 44.448 -4.591 -37.683 1.00 0.00 H ATOM 222 HG21 THR A 28 44.140 -6.229 -37.057 1.00 0.00 H ATOM 223 HG22 THR A 28 44.518 -5.991 -38.781 1.00 0.00 H ATOM 224 H THR A 28 41.204 -6.545 -35.902 1.00 0.00 H ATOM 225 N PHE A 29 40.194 -3.348 -38.054 1.00 22.23 N ATOM 226 CA PHE A 29 38.992 -3.154 -38.834 1.00 21.39 C ATOM 227 C PHE A 29 39.277 -2.444 -40.161 1.00 21.14 C ATOM 228 O PHE A 29 40.245 -1.688 -40.307 1.00 24.47 O ATOM 229 CB PHE A 29 37.873 -2.481 -38.020 1.00 23.57 C ATOM 230 CG PHE A 29 38.125 -1.034 -37.680 1.00 23.48 C ATOM 231 CD1 PHE A 29 37.810 -0.026 -38.589 1.00 26.20 C ATOM 232 CD2 PHE A 29 38.637 -0.676 -36.447 1.00 20.76 C ATOM 233 CE1 PHE A 29 38.035 1.308 -38.270 1.00 22.78 C ATOM 234 CE2 PHE A 29 38.848 0.663 -36.121 1.00 25.19 C ATOM 235 CZ PHE A 29 38.548 1.650 -37.033 1.00 23.72 C ATOM 236 HA PHE A 29 38.617 -4.144 -39.095 1.00 0.00 H ATOM 237 HB2 PHE A 29 36.951 -2.539 -38.598 1.00 0.00 H ATOM 238 HB3 PHE A 29 37.752 -3.033 -37.088 1.00 0.00 H ATOM 239 HD2 PHE A 29 38.879 -1.451 -35.720 1.00 0.00 H ATOM 240 HE2 PHE A 29 39.251 0.929 -35.144 1.00 0.00 H ATOM 241 HZ PHE A 29 38.714 2.697 -36.780 1.00 0.00 H ATOM 242 HE1 PHE A 29 37.806 2.087 -38.998 1.00 0.00 H ATOM 243 HD1 PHE A 29 37.384 -0.286 -39.558 1.00 0.00 H ATOM 244 H PHE A 29 40.900 -2.588 -37.982 1.00 0.00 H ATOM 245 N THR A 30 38.437 -2.739 -41.131 1.00 23.13 N ATOM 246 CA THR A 30 38.498 -2.090 -42.425 1.00 27.93 C ATOM 247 C THR A 30 37.237 -1.275 -42.492 1.00 24.28 C ATOM 248 O THR A 30 36.153 -1.800 -42.268 1.00 24.24 O ATOM 249 CB THR A 30 38.487 -3.115 -43.575 1.00 24.47 C ATOM 250 OG1 THR A 30 39.710 -3.857 -43.559 1.00 26.98 O ATOM 251 CG2 THR A 30 38.362 -2.401 -44.912 1.00 30.56 C ATOM 252 HA THR A 30 39.411 -1.503 -42.530 1.00 0.00 H ATOM 253 HB THR A 30 37.638 -3.786 -43.443 1.00 0.00 H ATOM 254 HG1 THR A 30 40.473 -3.236 -43.675 1.00 0.00 H ATOM 255 HG23 THR A 30 37.432 -1.833 -44.933 1.00 0.00 H ATOM 256 HG21 THR A 30 39.206 -1.724 -45.041 1.00 0.00 H ATOM 257 HG22 THR A 30 38.358 -3.137 -45.716 1.00 0.00 H ATOM 258 H THR A 30 37.707 -3.460 -40.963 1.00 0.00 H ATOM 259 N VAL A 31 37.367 0.011 -42.786 1.00 25.53 N ATOM 260 CA VAL A 31 36.197 0.859 -42.826 1.00 22.08 C ATOM 261 C VAL A 31 36.165 1.644 -44.128 1.00 22.74 C ATOM 262 O VAL A 31 37.216 1.957 -44.693 1.00 24.12 O ATOM 263 CB VAL A 31 36.151 1.802 -41.589 1.00 22.06 C ATOM 264 CG1 VAL A 31 37.338 2.767 -41.582 1.00 21.27 C ATOM 265 CG2 VAL A 31 34.805 2.537 -41.501 1.00 21.91 C ATOM 266 HA VAL A 31 35.307 0.231 -42.787 1.00 0.00 H ATOM 267 HB VAL A 31 36.237 1.187 -40.693 1.00 0.00 H ATOM 268 HG11 VAL A 31 38.267 2.198 -41.551 1.00 0.00 H ATOM 269 HG12 VAL A 31 37.314 3.377 -42.485 1.00 0.00 H ATOM 270 HG13 VAL A 31 37.276 3.411 -40.705 1.00 0.00 H ATOM 271 HG21 VAL A 31 34.660 3.135 -42.401 1.00 0.00 H ATOM 272 HG22 VAL A 31 33.999 1.808 -41.414 1.00 0.00 H ATOM 273 HG23 VAL A 31 34.804 3.188 -40.627 1.00 0.00 H ATOM 274 H VAL A 31 38.307 0.408 -42.987 1.00 0.00 H ATOM 275 N THR A 32 34.958 1.894 -44.629 1.00 22.53 N ATOM 276 CA THR A 32 34.732 2.928 -45.636 1.00 23.31 C ATOM 277 C THR A 32 33.986 4.074 -44.968 1.00 26.89 C ATOM 278 O THR A 32 32.910 3.876 -44.391 1.00 24.82 O ATOM 279 CB THR A 32 33.933 2.421 -46.849 1.00 27.61 C ATOM 280 OG1 THR A 32 34.633 1.330 -47.453 1.00 26.96 O ATOM 281 CG2 THR A 32 33.784 3.532 -47.896 1.00 24.27 C ATOM 282 HA THR A 32 35.700 3.250 -46.021 1.00 0.00 H ATOM 283 HB THR A 32 32.947 2.106 -46.507 1.00 0.00 H ATOM 284 HG1 THR A 32 34.735 0.599 -46.793 1.00 0.00 H ATOM 285 HG23 THR A 32 33.252 4.375 -47.456 1.00 0.00 H ATOM 286 HG21 THR A 32 34.772 3.855 -48.224 1.00 0.00 H ATOM 287 HG22 THR A 32 33.223 3.152 -48.750 1.00 0.00 H ATOM 288 H THR A 32 34.148 1.335 -44.292 1.00 0.00 H ATOM 289 N ALA A 33 34.587 5.260 -45.002 1.00 23.66 N ATOM 290 CA ALA A 33 33.941 6.465 -44.499 1.00 21.90 C ATOM 291 C ALA A 33 33.317 7.220 -45.670 1.00 24.36 C ATOM 292 O ALA A 33 34.008 7.586 -46.624 1.00 22.57 O ATOM 293 CB ALA A 33 34.948 7.339 -43.806 1.00 24.43 C ATOM 294 HA ALA A 33 33.166 6.191 -43.783 1.00 0.00 H ATOM 295 HB1 ALA A 33 35.388 6.793 -42.971 1.00 0.00 H ATOM 296 HB2 ALA A 33 35.730 7.619 -44.511 1.00 0.00 H ATOM 297 HB3 ALA A 33 34.454 8.236 -43.434 1.00 0.00 H ATOM 298 H ALA A 33 35.546 5.329 -45.399 1.00 0.00 H ATOM 299 N GLY A 34 32.012 7.444 -45.614 1.00 22.34 N ATOM 300 CA GLY A 34 31.349 8.184 -46.678 1.00 23.62 C ATOM 301 C GLY A 34 31.460 9.675 -46.422 1.00 24.53 C ATOM 302 O GLY A 34 31.587 10.101 -45.274 1.00 24.96 O ATOM 303 HA3 GLY A 34 30.297 7.901 -46.713 1.00 0.00 H ATOM 304 HA2 GLY A 34 31.820 7.945 -47.632 1.00 0.00 H ATOM 305 H GLY A 34 31.460 7.090 -44.807 1.00 0.00 H ATOM 306 N ALA A 35 31.413 10.476 -47.486 1.00 23.65 N ATOM 307 CA ALA A 35 31.429 11.917 -47.323 1.00 22.62 C ATOM 308 C ALA A 35 30.184 12.339 -46.563 1.00 24.54 C ATOM 309 O ALA A 35 30.169 13.406 -45.967 1.00 26.31 O ATOM 310 CB ALA A 35 31.496 12.637 -48.700 1.00 22.98 C ATOM 311 HA ALA A 35 32.319 12.202 -46.762 1.00 0.00 H ATOM 312 HB1 ALA A 35 32.404 12.335 -49.223 1.00 0.00 H ATOM 313 HB2 ALA A 35 30.625 12.363 -49.295 1.00 0.00 H ATOM 314 HB3 ALA A 35 31.507 13.716 -48.544 1.00 0.00 H ATOM 315 H ALA A 35 31.365 10.065 -48.440 1.00 0.00 H ATOM 316 N ASP A 36 29.147 11.494 -46.593 1.00 24.19 N ATOM 317 CA ASP A 36 27.876 11.781 -45.935 1.00 24.08 C ATOM 318 C ASP A 36 27.940 11.562 -44.419 1.00 25.31 C ATOM 319 O ASP A 36 27.007 11.888 -43.700 1.00 28.29 O ATOM 320 CB ASP A 36 26.733 10.941 -46.544 1.00 26.66 C ATOM 321 CG ASP A 36 27.044 9.447 -46.585 1.00 27.58 C ATOM 322 OD1 ASP A 36 27.914 8.970 -45.822 1.00 29.78 O ATOM 323 OD2 ASP A 36 26.408 8.731 -47.392 1.00 32.79 O ATOM 324 HA ASP A 36 27.670 12.838 -46.107 1.00 0.00 H ATOM 325 HB2 ASP A 36 25.834 11.092 -45.946 1.00 0.00 H ATOM 326 HB3 ASP A 36 26.553 11.286 -47.562 1.00 0.00 H ATOM 327 H ASP A 36 29.251 10.596 -47.106 1.00 0.00 H ATOM 328 N GLY A 37 29.049 11.013 -43.941 1.00 23.94 N ATOM 329 CA GLY A 37 29.222 10.793 -42.510 1.00 25.76 C ATOM 330 C GLY A 37 29.151 9.329 -42.121 1.00 25.28 C ATOM 331 O GLY A 37 29.509 8.966 -40.993 1.00 25.90 O ATOM 332 HA3 GLY A 37 28.438 11.332 -41.978 1.00 0.00 H ATOM 333 HA2 GLY A 37 30.195 11.184 -42.214 1.00 0.00 H ATOM 334 H GLY A 37 29.807 10.735 -44.597 1.00 0.00 H ATOM 335 N ASN A 38 28.697 8.488 -43.048 1.00 23.62 N ATOM 336 CA ASN A 38 28.531 7.064 -42.774 1.00 24.82 C ATOM 337 C ASN A 38 29.853 6.322 -42.568 1.00 26.53 C ATOM 338 O ASN A 38 30.856 6.631 -43.208 1.00 22.18 O ATOM 339 CB ASN A 38 27.705 6.374 -43.862 1.00 29.02 C ATOM 340 CG ASN A 38 27.318 4.946 -43.481 1.00 31.84 C ATOM 341 OD1 ASN A 38 27.015 4.663 -42.321 1.00 33.27 O ATOM 342 ND2 ASN A 38 27.352 4.041 -44.451 1.00 32.64 N ATOM 343 HA ASN A 38 27.989 7.015 -41.829 1.00 0.00 H ATOM 344 HB2 ASN A 38 26.795 6.951 -44.030 1.00 0.00 H ATOM 345 HB3 ASN A 38 28.290 6.345 -44.781 1.00 0.00 H ATOM 346 HD22 ASN A 38 27.613 4.324 -45.417 1.00 0.00 H ATOM 347 HD21 ASN A 38 27.117 3.049 -44.245 1.00 0.00 H ATOM 348 H ASN A 38 28.455 8.855 -43.991 1.00 0.00 H ATOM 349 N LEU A 39 29.839 5.358 -41.646 1.00 20.34 N ATOM 350 CA LEU A 39 30.972 4.475 -41.407 1.00 20.87 C ATOM 351 C LEU A 39 30.462 3.063 -41.650 1.00 22.18 C ATOM 352 O LEU A 39 29.479 2.627 -41.040 1.00 18.85 O ATOM 353 CB LEU A 39 31.452 4.590 -39.964 1.00 24.45 C ATOM 354 CG LEU A 39 32.826 5.186 -39.672 1.00 30.02 C ATOM 355 CD1 LEU A 39 33.223 6.250 -40.687 1.00 23.97 C ATOM 356 CD2 LEU A 39 32.882 5.735 -38.263 1.00 21.90 C ATOM 357 HA LEU A 39 31.807 4.733 -42.058 1.00 0.00 H ATOM 358 HB2 LEU A 39 30.722 5.203 -39.435 1.00 0.00 H ATOM 359 HB3 LEU A 39 31.449 3.583 -39.548 1.00 0.00 H ATOM 360 HG LEU A 39 33.552 4.378 -39.760 1.00 0.00 H ATOM 361 HD21 LEU A 39 32.128 6.513 -38.147 1.00 0.00 H ATOM 362 HD22 LEU A 39 32.688 4.931 -37.553 1.00 0.00 H ATOM 363 HD23 LEU A 39 33.871 6.155 -38.077 1.00 0.00 H ATOM 364 HD11 LEU A 39 33.251 5.808 -41.683 1.00 0.00 H ATOM 365 HD12 LEU A 39 32.493 7.059 -40.668 1.00 0.00 H ATOM 366 HD13 LEU A 39 34.208 6.642 -40.434 1.00 0.00 H ATOM 367 H LEU A 39 28.981 5.231 -41.072 1.00 0.00 H ATOM 368 N THR A 40 31.099 2.351 -42.557 1.00 23.56 N ATOM 369 CA THR A 40 30.690 0.970 -42.825 1.00 22.00 C ATOM 370 C THR A 40 31.927 0.123 -42.997 1.00 23.29 C ATOM 371 O THR A 40 32.918 0.567 -43.585 1.00 24.85 O ATOM 372 CB THR A 40 29.734 0.852 -44.039 1.00 26.23 C ATOM 373 OG1 THR A 40 29.297 -0.508 -44.188 1.00 28.56 O ATOM 374 CG2 THR A 40 30.422 1.284 -45.300 1.00 24.17 C ATOM 375 HA THR A 40 30.115 0.606 -41.973 1.00 0.00 H ATOM 376 HB THR A 40 28.876 1.500 -43.860 1.00 0.00 H ATOM 377 HG1 THR A 40 28.687 -0.574 -44.965 1.00 0.00 H ATOM 378 HG23 THR A 40 30.757 2.316 -45.195 1.00 0.00 H ATOM 379 HG21 THR A 40 31.281 0.639 -45.483 1.00 0.00 H ATOM 380 HG22 THR A 40 29.726 1.210 -46.136 1.00 0.00 H ATOM 381 H THR A 40 31.893 2.769 -43.083 1.00 0.00 H ATOM 382 N GLY A 41 31.889 -1.091 -42.460 1.00 24.27 N ATOM 383 CA GLY A 41 33.058 -1.944 -42.506 1.00 23.00 C ATOM 384 C GLY A 41 32.891 -3.305 -41.864 1.00 21.28 C ATOM 385 O GLY A 41 31.775 -3.785 -41.680 1.00 24.52 O ATOM 386 HA3 GLY A 41 33.872 -1.428 -41.996 1.00 0.00 H ATOM 387 HA2 GLY A 41 33.324 -2.095 -43.552 1.00 0.00 H ATOM 388 H GLY A 41 31.017 -1.430 -42.005 1.00 0.00 H ATOM 389 N GLN A 42 34.029 -3.916 -41.543 1.00 23.50 N ATOM 390 CA GLN A 42 34.110 -5.214 -40.880 1.00 22.82 C ATOM 391 C GLN A 42 35.173 -5.145 -39.778 1.00 21.93 C ATOM 392 O GLN A 42 36.220 -4.520 -39.947 1.00 20.91 O ATOM 393 CB GLN A 42 34.503 -6.297 -41.889 1.00 25.80 C ATOM 394 CG GLN A 42 33.521 -6.503 -43.035 1.00 32.58 C ATOM 395 CD GLN A 42 33.751 -7.822 -43.749 1.00 36.70 C ATOM 396 OE1 GLN A 42 34.878 -8.320 -43.809 1.00 38.47 O ATOM 397 NE2 GLN A 42 32.677 -8.408 -44.273 1.00 46.90 N ATOM 398 HA GLN A 42 33.138 -5.461 -40.452 1.00 0.00 H ATOM 399 HB2 GLN A 42 35.468 -6.026 -42.316 1.00 0.00 H ATOM 400 HB3 GLN A 42 34.597 -7.241 -41.352 1.00 0.00 H ATOM 401 HG2 GLN A 42 32.507 -6.490 -42.636 1.00 0.00 H ATOM 402 HG3 GLN A 42 33.639 -5.690 -43.751 1.00 0.00 H ATOM 403 HE22 GLN A 42 31.746 -7.950 -44.198 1.00 0.00 H ATOM 404 HE21 GLN A 42 32.769 -9.324 -44.757 1.00 0.00 H ATOM 405 H GLN A 42 34.921 -3.436 -41.781 1.00 0.00 H ATOM 406 N TYR A 43 34.903 -5.781 -38.645 1.00 21.25 N ATOM 407 CA TYR A 43 35.830 -5.751 -37.517 1.00 19.79 C ATOM 408 C TYR A 43 36.289 -7.177 -37.237 1.00 20.80 C ATOM 409 O TYR A 43 35.478 -8.103 -37.238 1.00 20.79 O ATOM 410 CB TYR A 43 35.105 -5.179 -36.285 1.00 20.38 C ATOM 411 CG TYR A 43 35.990 -4.686 -35.163 1.00 19.66 C ATOM 412 CD1 TYR A 43 36.233 -3.320 -34.993 1.00 18.49 C ATOM 413 CD2 TYR A 43 36.557 -5.576 -34.260 1.00 18.65 C ATOM 414 CE1 TYR A 43 37.035 -2.860 -33.959 1.00 20.08 C ATOM 415 CE2 TYR A 43 37.360 -5.128 -33.218 1.00 20.27 C ATOM 416 CZ TYR A 43 37.589 -3.767 -33.074 1.00 19.28 C ATOM 417 OH TYR A 43 38.381 -3.317 -32.067 1.00 18.01 O ATOM 418 HA TYR A 43 36.692 -5.124 -37.744 1.00 0.00 H ATOM 419 HB3 TYR A 43 34.462 -5.962 -35.883 1.00 0.00 H ATOM 420 HB2 TYR A 43 34.491 -4.342 -36.618 1.00 0.00 H ATOM 421 HD2 TYR A 43 36.369 -6.644 -34.370 1.00 0.00 H ATOM 422 HE2 TYR A 43 37.805 -5.838 -32.521 1.00 0.00 H ATOM 423 HE1 TYR A 43 37.227 -1.793 -33.845 1.00 0.00 H ATOM 424 HD1 TYR A 43 35.785 -2.605 -35.684 1.00 0.00 H ATOM 425 HH TYR A 43 37.994 -3.590 -31.197 1.00 0.00 H ATOM 426 H TYR A 43 34.013 -6.312 -38.559 1.00 0.00 H ATOM 427 N GLU A 44 37.590 -7.340 -37.022 1.00 21.59 N ATOM 428 CA GLU A 44 38.178 -8.624 -36.673 1.00 23.13 C ATOM 429 C GLU A 44 38.844 -8.502 -35.309 1.00 19.74 C ATOM 430 O GLU A 44 39.871 -7.837 -35.145 1.00 19.91 O ATOM 431 CB GLU A 44 39.161 -9.105 -37.758 1.00 20.81 C ATOM 432 CG GLU A 44 38.413 -9.529 -39.034 1.00 26.16 C ATOM 433 CD GLU A 44 39.324 -9.878 -40.195 1.00 31.21 C ATOM 434 OE1 GLU A 44 40.556 -9.715 -40.073 1.00 30.52 O ATOM 435 OE2 GLU A 44 38.789 -10.308 -41.240 1.00 37.57 O ATOM 436 HA GLU A 44 37.397 -9.382 -36.617 1.00 0.00 H ATOM 437 HB2 GLU A 44 39.848 -8.295 -38.001 1.00 0.00 H ATOM 438 HB3 GLU A 44 39.725 -9.956 -37.376 1.00 0.00 H ATOM 439 HG2 GLU A 44 37.804 -10.403 -38.801 1.00 0.00 H ATOM 440 HG3 GLU A 44 37.765 -8.708 -39.341 1.00 0.00 H ATOM 441 H GLU A 44 38.215 -6.513 -37.107 1.00 0.00 H ATOM 442 N ASN A 45 38.216 -9.146 -34.335 1.00 22.63 N ATOM 443 CA ASN A 45 38.611 -9.066 -32.940 1.00 17.92 C ATOM 444 C ASN A 45 39.721 -10.069 -32.596 1.00 19.31 C ATOM 445 O ASN A 45 39.610 -11.260 -32.887 1.00 20.44 O ATOM 446 CB ASN A 45 37.379 -9.330 -32.077 1.00 20.54 C ATOM 447 CG ASN A 45 37.725 -9.513 -30.607 1.00 20.37 C ATOM 448 OD1 ASN A 45 38.565 -8.789 -30.063 1.00 17.88 O ATOM 449 ND2 ASN A 45 37.099 -10.506 -29.968 1.00 18.69 N ATOM 450 HA ASN A 45 39.012 -8.071 -32.746 1.00 0.00 H ATOM 451 HB2 ASN A 45 36.697 -8.485 -32.173 1.00 0.00 H ATOM 452 HB3 ASN A 45 36.888 -10.234 -32.436 1.00 0.00 H ATOM 453 HD22 ASN A 45 36.399 -11.088 -30.471 1.00 0.00 H ATOM 454 HD21 ASN A 45 37.312 -10.697 -28.968 1.00 0.00 H ATOM 455 H ASN A 45 37.398 -9.739 -34.583 1.00 0.00 H ATOM 456 N ARG A 46 40.803 -9.582 -32.004 1.00 18.89 N ATOM 457 CA ARG A 46 41.881 -10.457 -31.554 1.00 20.11 C ATOM 458 C ARG A 46 42.266 -10.170 -30.104 1.00 21.44 C ATOM 459 O ARG A 46 43.379 -10.478 -29.684 1.00 23.63 O ATOM 460 CB ARG A 46 43.101 -10.338 -32.495 1.00 22.81 C ATOM 461 CG ARG A 46 42.728 -10.592 -33.979 1.00 23.41 C ATOM 462 CD ARG A 46 43.922 -10.624 -34.952 1.00 24.63 C ATOM 463 NE ARG A 46 43.474 -10.838 -36.329 1.00 26.81 N ATOM 464 CZ ARG A 46 42.999 -9.873 -37.116 1.00 23.64 C ATOM 465 NH1 ARG A 46 42.913 -8.631 -36.661 1.00 22.88 N ATOM 466 NH2 ARG A 46 42.598 -10.143 -38.351 1.00 26.91 N ATOM 467 HA ARG A 46 41.521 -11.485 -31.592 1.00 0.00 H ATOM 468 HB2 ARG A 46 43.517 -9.335 -32.405 1.00 0.00 H ATOM 469 HB3 ARG A 46 43.850 -11.069 -32.192 1.00 0.00 H ATOM 470 HG2 ARG A 46 42.215 -11.552 -34.040 1.00 0.00 H ATOM 471 HG3 ARG A 46 42.052 -9.799 -34.299 1.00 0.00 H ATOM 472 HD2 ARG A 46 44.593 -11.434 -34.666 1.00 0.00 H ATOM 473 HD3 ARG A 46 44.454 -9.675 -34.894 1.00 0.00 H ATOM 474 HE ARG A 46 43.530 -11.801 -36.717 1.00 0.00 H ATOM 475 HH12 ARG A 46 42.543 -7.877 -37.274 1.00 0.00 H ATOM 476 HH11 ARG A 46 43.216 -8.410 -35.691 1.00 0.00 H ATOM 477 HH22 ARG A 46 42.229 -9.382 -38.956 1.00 0.00 H ATOM 478 HH21 ARG A 46 42.652 -11.116 -38.714 1.00 0.00 H ATOM 479 H ARG A 46 40.885 -8.556 -31.857 1.00 0.00 H ATOM 480 N ALA A 47 41.363 -9.564 -29.338 1.00 19.23 N ATOM 481 CA ALA A 47 41.663 -9.333 -27.913 1.00 21.87 C ATOM 482 C ALA A 47 41.698 -10.690 -27.246 1.00 18.73 C ATOM 483 O ALA A 47 40.694 -11.381 -27.221 1.00 18.82 O ATOM 484 CB ALA A 47 40.616 -8.470 -27.250 1.00 17.60 C ATOM 485 HA ALA A 47 42.614 -8.808 -27.819 1.00 0.00 H ATOM 486 HB1 ALA A 47 40.573 -7.503 -27.752 1.00 0.00 H ATOM 487 HB2 ALA A 47 39.645 -8.961 -27.320 1.00 0.00 H ATOM 488 HB3 ALA A 47 40.877 -8.326 -26.202 1.00 0.00 H ATOM 489 H ALA A 47 40.455 -9.256 -29.740 1.00 0.00 H ATOM 490 N GLN A 47A 42.861 -11.073 -26.734 1.00 23.98 N ATOM 491 CA GLN A 47A 43.026 -12.377 -26.102 1.00 23.30 C ATOM 492 C GLN A 47A 42.013 -12.571 -24.991 1.00 17.78 C ATOM 493 O GLN A 47A 41.699 -11.627 -24.261 1.00 20.23 O ATOM 494 CB GLN A 47A 44.419 -12.502 -25.513 1.00 27.54 C ATOM 495 CG GLN A 47A 45.521 -12.519 -26.537 1.00 33.48 C ATOM 496 CD GLN A 47A 46.826 -12.990 -25.941 1.00 39.65 C ATOM 497 OE1 GLN A 47A 46.872 -14.021 -25.264 1.00 45.58 O ATOM 498 NE2 GLN A 47A 47.892 -12.234 -26.173 1.00 41.94 N ATOM 499 HA GLN A 47A 42.874 -13.138 -26.867 1.00 0.00 H ATOM 500 HB2 GLN A 47A 44.585 -11.657 -24.845 1.00 0.00 H ATOM 501 HB3 GLN A 47A 44.467 -13.429 -24.942 1.00 0.00 H ATOM 502 HG2 GLN A 47A 45.240 -13.190 -27.349 1.00 0.00 H ATOM 503 HG3 GLN A 47A 45.655 -11.511 -26.930 1.00 0.00 H ATOM 504 HE22 GLN A 47A 47.804 -11.373 -26.750 1.00 0.00 H ATOM 505 HE21 GLN A 47A 48.816 -12.502 -25.778 1.00 0.00 H ATOM 506 H GLN A 47A 43.675 -10.427 -26.785 1.00 0.00 H ATOM 507 N GLY A 47B 41.507 -13.794 -24.874 1.00 20.41 N ATOM 508 CA GLY A 47B 40.524 -14.133 -23.870 1.00 16.56 C ATOM 509 C GLY A 47B 39.080 -13.856 -24.238 1.00 17.43 C ATOM 510 O GLY A 47B 38.183 -14.515 -23.723 1.00 17.75 O ATOM 511 HA3 GLY A 47B 40.755 -13.563 -22.970 1.00 0.00 H ATOM 512 HA2 GLY A 47B 40.617 -15.198 -23.658 1.00 0.00 H ATOM 513 H GLY A 47B 41.830 -14.535 -25.529 1.00 0.00 H ATOM 514 N THR A 48 38.843 -12.894 -25.129 1.00 18.56 N ATOM 515 CA THR A 48 37.472 -12.556 -25.519 1.00 16.90 C ATOM 516 C THR A 48 36.870 -13.553 -26.522 1.00 16.15 C ATOM 517 O THR A 48 37.593 -14.292 -27.183 1.00 17.42 O ATOM 518 CB THR A 48 37.381 -11.103 -26.072 1.00 16.49 C ATOM 519 OG1 THR A 48 38.000 -11.025 -27.375 1.00 15.68 O ATOM 520 CG2 THR A 48 38.067 -10.122 -25.111 1.00 15.78 C ATOM 521 HA THR A 48 36.876 -12.622 -24.609 1.00 0.00 H ATOM 522 HB THR A 48 36.329 -10.833 -26.161 1.00 0.00 H ATOM 523 HG1 THR A 48 38.952 -11.286 -27.303 1.00 0.00 H ATOM 524 HG23 THR A 48 37.595 -10.186 -24.130 1.00 0.00 H ATOM 525 HG21 THR A 48 39.123 -10.378 -25.025 1.00 0.00 H ATOM 526 HG22 THR A 48 37.968 -9.108 -25.498 1.00 0.00 H ATOM 527 H THR A 48 39.640 -12.377 -25.552 1.00 0.00 H ATOM 528 N GLY A 49 35.544 -13.595 -26.599 1.00 17.06 N ATOM 529 CA GLY A 49 34.860 -14.409 -27.592 1.00 16.44 C ATOM 530 C GLY A 49 34.900 -13.778 -28.982 1.00 19.20 C ATOM 531 O GLY A 49 35.373 -12.657 -29.144 1.00 14.78 O ATOM 532 HA3 GLY A 49 33.819 -14.530 -27.291 1.00 0.00 H ATOM 533 HA2 GLY A 49 35.340 -15.387 -27.636 1.00 0.00 H ATOM 534 H GLY A 49 34.980 -13.031 -25.932 1.00 0.00 H ATOM 535 N CYS A 50 34.391 -14.499 -29.980 1.00 19.75 N ATOM 536 CA CYS A 50 34.160 -13.944 -31.314 1.00 24.48 C ATOM 537 C CYS A 50 35.396 -13.284 -31.905 1.00 18.15 C ATOM 538 O CYS A 50 35.352 -12.157 -32.410 1.00 18.93 O ATOM 539 CB CYS A 50 32.982 -12.975 -31.294 1.00 20.66 C ATOM 540 SG CYS A 50 31.430 -13.760 -30.822 1.00 19.83 S ATOM 541 HA CYS A 50 33.919 -14.783 -31.966 1.00 0.00 H ATOM 542 HB2 CYS A 50 32.866 -12.548 -32.290 1.00 0.00 H ATOM 543 HB3 CYS A 50 33.199 -12.179 -30.582 1.00 0.00 H ATOM 544 HG CYS A 50 32.481 -14.430 -31.413 1.00 0.00 H ATOM 545 H CYS A 50 34.148 -15.495 -29.804 1.00 0.00 H ATOM 546 N GLN A 51 36.499 -14.004 -31.808 1.00 16.25 N ATOM 547 CA GLN A 51 37.746 -13.583 -32.374 1.00 20.00 C ATOM 548 C GLN A 51 37.831 -14.053 -33.824 1.00 26.04 C ATOM 549 O GLN A 51 37.129 -14.989 -34.232 1.00 25.68 O ATOM 550 CB GLN A 51 38.900 -14.181 -31.589 1.00 23.03 C ATOM 551 CG GLN A 51 39.172 -13.493 -30.283 1.00 22.25 C ATOM 552 CD GLN A 51 40.411 -14.035 -29.622 1.00 24.77 C ATOM 553 OE1 GLN A 51 41.430 -14.222 -30.273 1.00 26.34 O ATOM 554 NE2 GLN A 51 40.325 -14.321 -28.335 1.00 20.90 N ATOM 555 HA GLN A 51 37.806 -12.495 -32.333 1.00 0.00 H ATOM 556 HB2 GLN A 51 38.670 -15.227 -31.384 1.00 0.00 H ATOM 557 HB3 GLN A 51 39.799 -14.121 -32.202 1.00 0.00 H ATOM 558 HG2 GLN A 51 39.305 -12.427 -30.465 1.00 0.00 H ATOM 559 HG3 GLN A 51 38.321 -13.644 -29.619 1.00 0.00 H ATOM 560 HE22 GLN A 51 39.438 -14.145 -27.821 1.00 0.00 H ATOM 561 HE21 GLN A 51 41.144 -14.722 -27.836 1.00 0.00 H ATOM 562 H GLN A 51 36.461 -14.911 -31.301 1.00 0.00 H ATOM 563 N ASN A 51A 38.687 -13.373 -34.580 1.00 24.84 N ATOM 564 CA ASN A 51A 39.063 -13.737 -35.944 1.00 27.57 C ATOM 565 C ASN A 51A 38.029 -13.482 -37.043 1.00 26.44 C ATOM 566 O ASN A 51A 38.332 -12.756 -37.995 1.00 30.94 O ATOM 567 CB ASN A 51A 39.671 -15.152 -36.009 1.00 29.54 C ATOM 568 CG ASN A 51A 40.907 -15.286 -35.127 1.00 29.71 C ATOM 569 OD1 ASN A 51A 41.951 -14.706 -35.420 1.00 33.39 O ATOM 570 ND2 ASN A 51A 40.785 -16.033 -34.030 1.00 32.32 N ATOM 571 HA ASN A 51A 39.839 -13.013 -36.194 1.00 0.00 H ATOM 572 HB2 ASN A 51A 38.923 -15.872 -35.678 1.00 0.00 H ATOM 573 HB3 ASN A 51A 39.950 -15.368 -37.040 1.00 0.00 H ATOM 574 HD22 ASN A 51A 39.883 -16.506 -33.821 1.00 0.00 H ATOM 575 HD21 ASN A 51A 41.592 -16.143 -33.383 1.00 0.00 H ATOM 576 H ASN A 51A 39.120 -12.521 -34.171 1.00 0.00 H ATOM 577 N SER A 52 36.822 -14.034 -36.927 1.00 25.25 N ATOM 578 CA SER A 52 35.849 -13.882 -38.019 1.00 29.10 C ATOM 579 C SER A 52 35.314 -12.448 -38.131 1.00 29.45 C ATOM 580 O SER A 52 35.052 -11.797 -37.123 1.00 23.00 O ATOM 581 CB SER A 52 34.690 -14.875 -37.901 1.00 29.19 C ATOM 582 OG SER A 52 33.847 -14.577 -36.795 1.00 29.82 O ATOM 583 HA SER A 52 36.394 -14.106 -38.936 1.00 0.00 H ATOM 584 HB2 SER A 52 35.097 -15.878 -37.774 1.00 0.00 H ATOM 585 HB3 SER A 52 34.098 -14.837 -38.816 1.00 0.00 H ATOM 586 HG SER A 52 34.376 -14.616 -35.959 1.00 0.00 H ATOM 587 H SER A 52 36.570 -14.568 -36.071 1.00 0.00 H ATOM 588 N PRO A 53 35.150 -11.950 -39.367 1.00 24.75 N ATOM 589 CA PRO A 53 34.654 -10.579 -39.532 1.00 23.60 C ATOM 590 C PRO A 53 33.221 -10.392 -39.030 1.00 25.36 C ATOM 591 O PRO A 53 32.332 -11.207 -39.267 1.00 22.41 O ATOM 592 CB PRO A 53 34.728 -10.356 -41.052 1.00 27.48 C ATOM 593 CG PRO A 53 34.680 -11.753 -41.643 1.00 28.07 C ATOM 594 CD PRO A 53 35.413 -12.617 -40.657 1.00 26.30 C ATOM 595 HA PRO A 53 35.240 -9.869 -38.949 1.00 0.00 H ATOM 596 HD3 PRO A 53 35.020 -13.634 -40.659 1.00 0.00 H ATOM 597 HD2 PRO A 53 36.481 -12.641 -40.875 1.00 0.00 H ATOM 598 HG3 PRO A 53 35.174 -11.776 -42.614 1.00 0.00 H ATOM 599 HG2 PRO A 53 33.648 -12.087 -41.753 1.00 0.00 H ATOM 600 HB2 PRO A 53 33.881 -9.762 -41.396 1.00 0.00 H ATOM 601 HB3 PRO A 53 35.657 -9.854 -41.323 1.00 0.00 H ATOM 602 N TYR A 54 33.011 -9.303 -38.303 1.00 21.31 N ATOM 603 CA TYR A 54 31.678 -8.891 -37.920 1.00 21.48 C ATOM 604 C TYR A 54 31.441 -7.530 -38.541 1.00 22.08 C ATOM 605 O TYR A 54 32.380 -6.758 -38.705 1.00 20.37 O ATOM 606 CB TYR A 54 31.586 -8.776 -36.392 1.00 20.55 C ATOM 607 CG TYR A 54 31.614 -10.122 -35.721 1.00 20.89 C ATOM 608 CD1 TYR A 54 30.437 -10.768 -35.384 1.00 20.77 C ATOM 609 CD2 TYR A 54 32.820 -10.759 -35.454 1.00 18.79 C ATOM 610 CE1 TYR A 54 30.453 -12.032 -34.764 1.00 21.15 C ATOM 611 CE2 TYR A 54 32.851 -12.021 -34.834 1.00 21.41 C ATOM 612 CZ TYR A 54 31.658 -12.643 -34.494 1.00 20.92 C ATOM 613 OH TYR A 54 31.669 -13.894 -33.902 1.00 21.88 O ATOM 614 HA TYR A 54 30.937 -9.615 -38.257 1.00 0.00 H ATOM 615 HB3 TYR A 54 30.655 -8.273 -36.132 1.00 0.00 H ATOM 616 HB2 TYR A 54 32.429 -8.186 -36.032 1.00 0.00 H ATOM 617 HD2 TYR A 54 33.756 -10.273 -35.729 1.00 0.00 H ATOM 618 HE2 TYR A 54 33.804 -12.506 -34.622 1.00 0.00 H ATOM 619 HE1 TYR A 54 29.517 -12.524 -34.499 1.00 0.00 H ATOM 620 HD1 TYR A 54 29.482 -10.290 -35.602 1.00 0.00 H ATOM 621 HH TYR A 54 30.738 -14.184 -33.729 1.00 0.00 H ATOM 622 H TYR A 54 33.825 -8.731 -38.001 1.00 0.00 H ATOM 623 N THR A 55 30.185 -7.227 -38.843 1.00 22.06 N ATOM 624 CA THR A 55 29.836 -5.944 -39.445 1.00 23.72 C ATOM 625 C THR A 55 29.974 -4.755 -38.484 1.00 22.35 C ATOM 626 O THR A 55 29.565 -4.813 -37.317 1.00 21.55 O ATOM 627 CB THR A 55 28.419 -5.986 -40.066 1.00 26.90 C ATOM 628 OG1 THR A 55 28.361 -7.043 -41.029 1.00 27.35 O ATOM 629 CG2 THR A 55 28.066 -4.659 -40.764 1.00 23.45 C ATOM 630 HA THR A 55 30.566 -5.780 -40.238 1.00 0.00 H ATOM 631 HB THR A 55 27.702 -6.152 -39.262 1.00 0.00 H ATOM 632 HG1 THR A 55 27.456 -7.074 -41.429 1.00 0.00 H ATOM 633 HG23 THR A 55 28.107 -3.846 -40.039 1.00 0.00 H ATOM 634 HG21 THR A 55 28.781 -4.470 -41.565 1.00 0.00 H ATOM 635 HG22 THR A 55 27.061 -4.725 -41.181 1.00 0.00 H ATOM 636 H THR A 55 29.433 -7.918 -38.647 1.00 0.00 H ATOM 637 N LEU A 56 30.593 -3.694 -38.987 1.00 22.64 N ATOM 638 CA LEU A 56 30.728 -2.441 -38.260 1.00 23.20 C ATOM 639 C LEU A 56 29.799 -1.427 -38.910 1.00 24.07 C ATOM 640 O LEU A 56 29.725 -1.334 -40.150 1.00 22.48 O ATOM 641 CB LEU A 56 32.194 -1.971 -38.300 1.00 22.74 C ATOM 642 CG LEU A 56 32.709 -0.597 -37.858 1.00 26.86 C ATOM 643 CD1 LEU A 56 34.224 -0.674 -37.729 1.00 25.43 C ATOM 644 CD2 LEU A 56 32.331 0.522 -38.838 1.00 21.30 C ATOM 645 HA LEU A 56 30.455 -2.563 -37.212 1.00 0.00 H ATOM 646 HB2 LEU A 56 32.743 -2.691 -37.693 1.00 0.00 H ATOM 647 HB3 LEU A 56 32.498 -2.069 -39.342 1.00 0.00 H ATOM 648 HG LEU A 56 32.242 -0.350 -36.905 1.00 0.00 H ATOM 649 HD21 LEU A 56 32.757 0.305 -39.817 1.00 0.00 H ATOM 650 HD22 LEU A 56 31.246 0.582 -38.918 1.00 0.00 H ATOM 651 HD23 LEU A 56 32.723 1.471 -38.472 1.00 0.00 H ATOM 652 HD11 LEU A 56 34.486 -1.429 -36.988 1.00 0.00 H ATOM 653 HD12 LEU A 56 34.656 -0.944 -38.693 1.00 0.00 H ATOM 654 HD13 LEU A 56 34.610 0.296 -37.415 1.00 0.00 H ATOM 655 H LEU A 56 30.999 -3.761 -39.942 1.00 0.00 H ATOM 656 N THR A 57 29.065 -0.691 -38.078 1.00 21.66 N ATOM 657 CA THR A 57 28.269 0.441 -38.535 1.00 22.18 C ATOM 658 C THR A 57 28.406 1.616 -37.593 1.00 22.70 C ATOM 659 O THR A 57 28.364 1.472 -36.363 1.00 23.62 O ATOM 660 CB THR A 57 26.761 0.103 -38.726 1.00 26.83 C ATOM 661 OG1 THR A 57 26.102 0.034 -37.455 1.00 32.66 O ATOM 662 CG2 THR A 57 26.591 -1.198 -39.458 1.00 27.22 C ATOM 663 HA THR A 57 28.668 0.702 -39.515 1.00 0.00 H ATOM 664 HB THR A 57 26.310 0.897 -39.321 1.00 0.00 H ATOM 665 HG1 THR A 57 26.182 0.907 -36.995 1.00 0.00 H ATOM 666 HG23 THR A 57 27.094 -1.139 -40.423 1.00 0.00 H ATOM 667 HG21 THR A 57 27.027 -2.005 -38.869 1.00 0.00 H ATOM 668 HG22 THR A 57 25.529 -1.391 -39.612 1.00 0.00 H ATOM 669 H THR A 57 29.060 -0.932 -37.066 1.00 0.00 H ATOM 670 N GLY A 58 28.559 2.797 -38.161 1.00 20.51 N ATOM 671 CA GLY A 58 28.831 3.948 -37.334 1.00 19.99 C ATOM 672 C GLY A 58 28.705 5.225 -38.117 1.00 22.11 C ATOM 673 O GLY A 58 28.148 5.228 -39.215 1.00 21.68 O ATOM 674 HA3 GLY A 58 29.844 3.871 -36.940 1.00 0.00 H ATOM 675 HA2 GLY A 58 28.122 3.967 -36.507 1.00 0.00 H ATOM 676 H GLY A 58 28.484 2.897 -39.193 1.00 0.00 H ATOM 677 N ARG A 59 29.239 6.292 -37.542 1.00 20.77 N ATOM 678 CA ARG A 59 29.129 7.622 -38.099 1.00 22.86 C ATOM 679 C ARG A 59 30.293 8.457 -37.625 1.00 24.87 C ATOM 680 O ARG A 59 30.923 8.163 -36.597 1.00 24.14 O ATOM 681 CB ARG A 59 27.837 8.276 -37.626 1.00 28.59 C ATOM 682 CG ARG A 59 26.611 7.888 -38.406 1.00 24.78 C ATOM 683 CD ARG A 59 25.371 8.247 -37.617 1.00 33.66 C ATOM 684 NE ARG A 59 24.164 8.092 -38.423 1.00 37.62 N ATOM 685 CZ ARG A 59 23.230 9.027 -38.532 1.00 34.11 C ATOM 686 NH1 ARG A 59 23.370 10.165 -37.871 1.00 31.42 N ATOM 687 NH2 ARG A 59 22.159 8.824 -39.296 1.00 37.70 N ATOM 688 HA ARG A 59 29.130 7.554 -39.187 1.00 0.00 H ATOM 689 HB2 ARG A 59 27.678 7.999 -36.584 1.00 0.00 H ATOM 690 HB3 ARG A 59 27.957 9.357 -37.699 1.00 0.00 H ATOM 691 HG2 ARG A 59 26.603 8.420 -39.357 1.00 0.00 H ATOM 692 HG3 ARG A 59 26.624 6.814 -38.592 1.00 0.00 H ATOM 693 HD2 ARG A 59 25.447 9.283 -37.288 1.00 0.00 H ATOM 694 HD3 ARG A 59 25.303 7.595 -36.746 1.00 0.00 H ATOM 695 HE ARG A 59 24.029 7.200 -38.940 1.00 0.00 H ATOM 696 HH12 ARG A 59 22.643 10.905 -37.950 1.00 0.00 H ATOM 697 HH11 ARG A 59 24.207 10.319 -37.273 1.00 0.00 H ATOM 698 HH22 ARG A 59 21.430 9.562 -39.377 1.00 0.00 H ATOM 699 HH21 ARG A 59 22.051 7.928 -39.812 1.00 0.00 H ATOM 700 H ARG A 59 29.760 6.168 -36.651 1.00 0.00 H ATOM 701 N TYR A 60 30.565 9.529 -38.350 1.00 21.88 N ATOM 702 CA TYR A 60 31.547 10.466 -37.871 1.00 21.52 C ATOM 703 C TYR A 60 31.145 11.890 -38.245 1.00 23.45 C ATOM 704 O TYR A 60 30.202 12.105 -39.001 1.00 23.65 O ATOM 705 CB TYR A 60 32.942 10.113 -38.389 1.00 23.48 C ATOM 706 CG TYR A 60 33.127 10.515 -39.816 1.00 23.09 C ATOM 707 CD1 TYR A 60 33.836 11.667 -40.147 1.00 24.45 C ATOM 708 CD2 TYR A 60 32.557 9.764 -40.835 1.00 24.70 C ATOM 709 CE1 TYR A 60 33.991 12.050 -41.473 1.00 25.53 C ATOM 710 CE2 TYR A 60 32.699 10.133 -42.151 1.00 23.37 C ATOM 711 CZ TYR A 60 33.416 11.276 -42.462 1.00 22.26 C ATOM 712 OH TYR A 60 33.543 11.623 -43.783 1.00 24.33 O ATOM 713 HA TYR A 60 31.587 10.405 -36.783 1.00 0.00 H ATOM 714 HB3 TYR A 60 33.087 9.036 -38.305 1.00 0.00 H ATOM 715 HB2 TYR A 60 33.685 10.627 -37.779 1.00 0.00 H ATOM 716 HD2 TYR A 60 31.988 8.868 -40.587 1.00 0.00 H ATOM 717 HE2 TYR A 60 32.252 9.532 -42.942 1.00 0.00 H ATOM 718 HE1 TYR A 60 34.557 12.946 -41.729 1.00 0.00 H ATOM 719 HD1 TYR A 60 34.275 12.275 -39.356 1.00 0.00 H ATOM 720 HH TYR A 60 32.645 11.771 -44.172 1.00 0.00 H ATOM 721 H TYR A 60 30.076 9.693 -39.253 1.00 0.00 H ATOM 722 N ASN A 61 31.888 12.843 -37.708 1.00 25.84 N ATOM 723 CA ASN A 61 31.563 14.252 -37.800 1.00 26.43 C ATOM 724 C ASN A 61 32.687 15.047 -37.163 1.00 28.35 C ATOM 725 O ASN A 61 32.885 14.983 -35.943 1.00 29.60 O ATOM 726 CB ASN A 61 30.268 14.517 -37.045 1.00 27.36 C ATOM 727 CG ASN A 61 29.415 15.545 -37.715 1.00 24.82 C ATOM 728 OD1 ASN A 61 29.904 16.583 -38.150 1.00 21.68 O ATOM 729 ND2 ASN A 61 28.126 15.249 -37.842 1.00 29.23 N ATOM 730 HA ASN A 61 31.441 14.544 -38.843 1.00 0.00 H ATOM 731 HB2 ASN A 61 29.706 13.586 -36.977 1.00 0.00 H ATOM 732 HB3 ASN A 61 30.513 14.866 -36.042 1.00 0.00 H ATOM 733 HD22 ASN A 61 27.757 14.356 -37.457 1.00 0.00 H ATOM 734 HD21 ASN A 61 27.486 15.910 -38.327 1.00 0.00 H ATOM 735 H ASN A 61 32.749 12.567 -37.194 1.00 0.00 H ATOM 736 N GLY A 70 33.440 15.792 -37.968 1.00 29.19 N ATOM 737 CA GLY A 70 34.581 16.513 -37.426 1.00 31.52 C ATOM 738 C GLY A 70 35.592 15.517 -36.877 1.00 28.47 C ATOM 739 O GLY A 70 35.852 14.500 -37.506 1.00 34.61 O ATOM 740 HA3 GLY A 70 34.248 17.173 -36.625 1.00 0.00 H ATOM 741 HA2 GLY A 70 35.045 17.106 -38.214 1.00 0.00 H ATOM 742 H GLY A 70 33.214 15.859 -38.981 1.00 0.00 H ATOM 743 N THR A 71 36.158 15.784 -35.710 1.00 28.75 N ATOM 744 CA THR A 71 37.141 14.853 -35.162 1.00 30.55 C ATOM 745 C THR A 71 36.493 13.635 -34.481 1.00 31.40 C ATOM 746 O THR A 71 37.191 12.759 -33.992 1.00 33.88 O ATOM 747 CB THR A 71 38.131 15.546 -34.196 1.00 35.92 C ATOM 748 OG1 THR A 71 37.460 15.946 -32.990 1.00 32.77 O ATOM 749 CG2 THR A 71 38.761 16.766 -34.857 1.00 31.99 C ATOM 750 HA THR A 71 37.705 14.488 -36.021 1.00 0.00 H ATOM 751 HB THR A 71 38.916 14.832 -33.948 1.00 0.00 H ATOM 752 HG1 THR A 71 37.081 15.147 -32.544 1.00 0.00 H ATOM 753 HG23 THR A 71 39.269 16.460 -35.771 1.00 0.00 H ATOM 754 HG21 THR A 71 37.982 17.490 -35.097 1.00 0.00 H ATOM 755 HG22 THR A 71 39.480 17.217 -34.173 1.00 0.00 H ATOM 756 H THR A 71 35.905 16.648 -35.189 1.00 0.00 H ATOM 757 N LYS A 72 35.165 13.567 -34.474 1.00 28.63 N ATOM 758 CA LYS A 72 34.475 12.572 -33.653 1.00 28.99 C ATOM 759 C LYS A 72 33.917 11.397 -34.454 1.00 25.66 C ATOM 760 O LYS A 72 33.253 11.572 -35.456 1.00 28.88 O ATOM 761 CB LYS A 72 33.368 13.223 -32.821 1.00 29.26 C ATOM 762 HA LYS A 72 35.233 12.159 -32.987 1.00 0.00 H ATOM 763 HB2 LYS A 72 33.804 13.977 -32.166 1.00 0.00 H ATOM 764 HB3 LYS A 72 32.643 13.692 -33.486 1.00 0.00 H ATOM 765 H LYS A 72 34.612 14.227 -35.057 1.00 0.00 H ATOM 766 N LEU A 73 34.190 10.195 -33.972 1.00 25.42 N ATOM 767 CA LEU A 73 33.718 8.980 -34.608 1.00 25.15 C ATOM 768 C LEU A 73 32.978 8.143 -33.568 1.00 23.09 C ATOM 769 O LEU A 73 33.288 8.196 -32.365 1.00 23.71 O ATOM 770 CB LEU A 73 34.899 8.179 -35.175 1.00 22.15 C ATOM 771 CG LEU A 73 35.682 8.665 -36.403 1.00 25.26 C ATOM 772 CD1 LEU A 73 36.637 9.824 -36.100 1.00 27.92 C ATOM 773 CD2 LEU A 73 36.459 7.503 -37.000 1.00 22.09 C ATOM 774 HA LEU A 73 33.050 9.235 -35.431 1.00 0.00 H ATOM 775 HB2 LEU A 73 35.623 8.084 -34.366 1.00 0.00 H ATOM 776 HB3 LEU A 73 34.509 7.193 -35.429 1.00 0.00 H ATOM 777 HG LEU A 73 34.948 9.046 -37.113 1.00 0.00 H ATOM 778 HD21 LEU A 73 37.154 7.112 -36.257 1.00 0.00 H ATOM 779 HD22 LEU A 73 35.764 6.718 -37.298 1.00 0.00 H ATOM 780 HD23 LEU A 73 37.015 7.849 -37.872 1.00 0.00 H ATOM 781 HD11 LEU A 73 36.068 10.672 -35.719 1.00 0.00 H ATOM 782 HD12 LEU A 73 37.365 9.508 -35.353 1.00 0.00 H ATOM 783 HD13 LEU A 73 37.156 10.114 -37.014 1.00 0.00 H ATOM 784 H LEU A 73 34.763 10.119 -33.107 1.00 0.00 H ATOM 785 N GLU A 74 31.992 7.387 -34.025 1.00 20.92 N ATOM 786 CA GLU A 74 31.422 6.316 -33.214 1.00 21.00 C ATOM 787 C GLU A 74 30.969 5.175 -34.106 1.00 23.47 C ATOM 788 O GLU A 74 30.549 5.398 -35.242 1.00 21.78 O ATOM 789 CB GLU A 74 30.308 6.803 -32.276 1.00 24.45 C ATOM 790 CG GLU A 74 28.999 7.216 -32.903 1.00 29.04 C ATOM 791 CD GLU A 74 28.033 7.788 -31.869 1.00 33.51 C ATOM 792 OE1 GLU A 74 28.357 7.762 -30.654 1.00 39.32 O ATOM 793 OE2 GLU A 74 26.953 8.274 -32.262 1.00 35.61 O ATOM 794 HA GLU A 74 32.207 5.945 -32.554 1.00 0.00 H ATOM 795 HB2 GLU A 74 30.094 5.995 -31.576 1.00 0.00 H ATOM 796 HB3 GLU A 74 30.694 7.663 -31.729 1.00 0.00 H ATOM 797 HG2 GLU A 74 29.194 7.974 -33.662 1.00 0.00 H ATOM 798 HG3 GLU A 74 28.541 6.345 -33.371 1.00 0.00 H ATOM 799 H GLU A 74 31.617 7.560 -34.979 1.00 0.00 H ATOM 800 N TRP A 75 31.104 3.948 -33.610 1.00 17.53 N ATOM 801 CA TRP A 75 30.672 2.788 -34.381 1.00 17.22 C ATOM 802 C TRP A 75 30.228 1.644 -33.474 1.00 18.16 C ATOM 803 O TRP A 75 30.537 1.626 -32.280 1.00 17.80 O ATOM 804 CB TRP A 75 31.758 2.336 -35.379 1.00 18.04 C ATOM 805 CG TRP A 75 33.027 1.755 -34.806 1.00 17.80 C ATOM 806 CD1 TRP A 75 33.272 0.435 -34.499 1.00 17.67 C ATOM 807 CD2 TRP A 75 34.240 2.462 -34.509 1.00 20.74 C ATOM 808 NE1 TRP A 75 34.557 0.292 -34.023 1.00 19.75 N ATOM 809 CE2 TRP A 75 35.166 1.520 -34.016 1.00 20.08 C ATOM 810 CE3 TRP A 75 34.625 3.803 -34.600 1.00 20.20 C ATOM 811 CZ2 TRP A 75 36.454 1.876 -33.629 1.00 20.49 C ATOM 812 CZ3 TRP A 75 35.900 4.152 -34.217 1.00 18.50 C ATOM 813 CH2 TRP A 75 36.799 3.198 -33.726 1.00 22.69 C ATOM 814 HA TRP A 75 29.803 3.091 -34.965 1.00 0.00 H ATOM 815 HB2 TRP A 75 31.314 1.579 -36.026 1.00 0.00 H ATOM 816 HB3 TRP A 75 32.036 3.204 -35.976 1.00 0.00 H ATOM 817 HE1 TRP A 75 34.994 -0.602 -33.719 1.00 0.00 H ATOM 818 HD1 TRP A 75 32.555 -0.377 -34.616 1.00 0.00 H ATOM 819 HZ2 TRP A 75 37.161 1.132 -33.263 1.00 0.00 H ATOM 820 HH2 TRP A 75 37.795 3.514 -33.414 1.00 0.00 H ATOM 821 HZ3 TRP A 75 36.216 5.192 -34.298 1.00 0.00 H ATOM 822 HE3 TRP A 75 33.929 4.557 -34.967 1.00 0.00 H ATOM 823 H TRP A 75 31.520 3.815 -32.666 1.00 0.00 H ATOM 824 N ARG A 76 29.494 0.706 -34.056 1.00 18.27 N ATOM 825 CA ARG A 76 28.889 -0.400 -33.323 1.00 17.34 C ATOM 826 C ARG A 76 29.200 -1.702 -34.051 1.00 20.94 C ATOM 827 O ARG A 76 29.183 -1.756 -35.302 1.00 20.99 O ATOM 828 CB ARG A 76 27.376 -0.191 -33.256 1.00 22.61 C ATOM 829 CG ARG A 76 26.591 -1.278 -32.523 1.00 28.08 C ATOM 830 CD ARG A 76 25.087 -0.978 -32.504 1.00 30.02 C ATOM 831 NE ARG A 76 24.381 -1.358 -33.733 1.00 36.73 N ATOM 832 CZ ARG A 76 23.893 -0.496 -34.625 1.00 39.33 C ATOM 833 NH1 ARG A 76 24.044 0.808 -34.449 1.00 40.38 N ATOM 834 NH2 ARG A 76 23.254 -0.934 -35.698 1.00 37.94 N ATOM 835 HA ARG A 76 29.290 -0.444 -32.310 1.00 0.00 H ATOM 836 HB2 ARG A 76 27.190 0.756 -32.750 1.00 0.00 H ATOM 837 HB3 ARG A 76 26.999 -0.136 -34.277 1.00 0.00 H ATOM 838 HG2 ARG A 76 26.755 -2.232 -33.025 1.00 0.00 H ATOM 839 HG3 ARG A 76 26.951 -1.343 -31.496 1.00 0.00 H ATOM 840 HD2 ARG A 76 24.954 0.093 -32.350 1.00 0.00 H ATOM 841 HD3 ARG A 76 24.640 -1.521 -31.671 1.00 0.00 H ATOM 842 HE ARG A 76 24.252 -2.373 -33.922 1.00 0.00 H ATOM 843 HH12 ARG A 76 23.661 1.475 -35.149 1.00 0.00 H ATOM 844 HH11 ARG A 76 24.546 1.165 -33.611 1.00 0.00 H ATOM 845 HH22 ARG A 76 22.875 -0.257 -36.390 1.00 0.00 H ATOM 846 HH21 ARG A 76 23.130 -1.956 -35.849 1.00 0.00 H ATOM 847 H ARG A 76 29.343 0.761 -35.083 1.00 0.00 H ATOM 848 N VAL A 77 29.528 -2.738 -33.283 1.00 17.67 N ATOM 849 CA VAL A 77 29.674 -4.089 -33.822 1.00 18.38 C ATOM 850 C VAL A 77 28.818 -4.988 -32.954 1.00 20.17 C ATOM 851 O VAL A 77 28.979 -5.002 -31.721 1.00 16.12 O ATOM 852 CB VAL A 77 31.130 -4.597 -33.752 1.00 18.42 C ATOM 853 CG1 VAL A 77 31.197 -6.112 -34.057 1.00 18.50 C ATOM 854 CG2 VAL A 77 32.022 -3.796 -34.678 1.00 17.09 C ATOM 855 HA VAL A 77 29.378 -4.091 -34.871 1.00 0.00 H ATOM 856 HB VAL A 77 31.500 -4.452 -32.737 1.00 0.00 H ATOM 857 HG11 VAL A 77 30.599 -6.655 -33.326 1.00 0.00 H ATOM 858 HG12 VAL A 77 30.807 -6.297 -35.058 1.00 0.00 H ATOM 859 HG13 VAL A 77 32.233 -6.447 -34.002 1.00 0.00 H ATOM 860 HG21 VAL A 77 31.663 -3.895 -35.702 1.00 0.00 H ATOM 861 HG22 VAL A 77 32.000 -2.747 -34.384 1.00 0.00 H ATOM 862 HG23 VAL A 77 33.043 -4.172 -34.612 1.00 0.00 H ATOM 863 H VAL A 77 29.685 -2.582 -32.267 1.00 0.00 H ATOM 864 N GLU A 78 27.879 -5.691 -33.582 1.00 19.79 N ATOM 865 CA GLU A 78 27.055 -6.668 -32.881 1.00 22.17 C ATOM 866 C GLU A 78 27.726 -8.022 -33.033 1.00 22.17 C ATOM 867 O GLU A 78 27.956 -8.481 -34.156 1.00 17.75 O ATOM 868 CB GLU A 78 25.641 -6.687 -33.457 1.00 22.66 C ATOM 869 CG GLU A 78 24.977 -5.314 -33.479 1.00 25.22 C ATOM 870 CD GLU A 78 23.891 -5.183 -32.433 1.00 29.50 C ATOM 871 OE1 GLU A 78 23.534 -6.200 -31.816 1.00 33.42 O ATOM 872 OE2 GLU A 78 23.399 -4.056 -32.226 1.00 39.01 O ATOM 873 HA GLU A 78 26.966 -6.411 -31.826 1.00 0.00 H ATOM 874 HB2 GLU A 78 25.689 -7.064 -34.478 1.00 0.00 H ATOM 875 HB3 GLU A 78 25.030 -7.357 -32.852 1.00 0.00 H ATOM 876 HG2 GLU A 78 25.736 -4.554 -33.293 1.00 0.00 H ATOM 877 HG3 GLU A 78 24.537 -5.153 -34.463 1.00 0.00 H ATOM 878 H GLU A 78 27.729 -5.539 -34.600 1.00 0.00 H ATOM 879 N TRP A 79 28.063 -8.651 -31.907 1.00 20.23 N ATOM 880 CA TRP A 79 28.892 -9.856 -31.951 1.00 17.15 C ATOM 881 C TRP A 79 28.043 -11.075 -32.205 1.00 21.55 C ATOM 882 O TRP A 79 27.991 -12.000 -31.393 1.00 21.37 O ATOM 883 CB TRP A 79 29.714 -10.029 -30.675 1.00 19.74 C ATOM 884 CG TRP A 79 30.606 -8.863 -30.395 1.00 16.68 C ATOM 885 CD1 TRP A 79 30.409 -7.902 -29.462 1.00 15.68 C ATOM 886 CD2 TRP A 79 31.826 -8.518 -31.078 1.00 16.62 C ATOM 887 NE1 TRP A 79 31.432 -6.986 -29.492 1.00 13.60 N ATOM 888 CE2 TRP A 79 32.320 -7.340 -30.478 1.00 16.58 C ATOM 889 CE3 TRP A 79 32.552 -9.095 -32.127 1.00 18.53 C ATOM 890 CZ2 TRP A 79 33.502 -6.720 -30.893 1.00 17.19 C ATOM 891 CZ3 TRP A 79 33.733 -8.488 -32.541 1.00 19.91 C ATOM 892 CH2 TRP A 79 34.197 -7.308 -31.929 1.00 15.92 C ATOM 893 HA TRP A 79 29.594 -9.739 -32.777 1.00 0.00 H ATOM 894 HB2 TRP A 79 29.031 -10.154 -29.835 1.00 0.00 H ATOM 895 HB3 TRP A 79 30.330 -10.922 -30.776 1.00 0.00 H ATOM 896 HE1 TRP A 79 31.520 -6.158 -28.869 1.00 0.00 H ATOM 897 HD1 TRP A 79 29.558 -7.861 -28.782 1.00 0.00 H ATOM 898 HZ2 TRP A 79 33.860 -5.808 -30.416 1.00 0.00 H ATOM 899 HH2 TRP A 79 35.122 -6.851 -32.280 1.00 0.00 H ATOM 900 HZ3 TRP A 79 34.309 -8.933 -33.353 1.00 0.00 H ATOM 901 HE3 TRP A 79 32.198 -10.005 -32.611 1.00 0.00 H ATOM 902 H TRP A 79 27.735 -8.283 -30.991 1.00 0.00 H ATOM 903 N ASN A 80 27.353 -11.058 -33.339 1.00 22.85 N ATOM 904 CA ASN A 80 26.715 -12.258 -33.833 1.00 23.28 C ATOM 905 C ASN A 80 26.837 -12.316 -35.349 1.00 24.57 C ATOM 906 O ASN A 80 26.507 -11.361 -36.040 1.00 22.45 O ATOM 907 CB ASN A 80 25.274 -12.450 -33.295 1.00 21.87 C ATOM 908 CG ASN A 80 24.296 -11.339 -33.699 1.00 31.11 C ATOM 909 OD1 ASN A 80 23.490 -11.533 -34.607 1.00 34.33 O ATOM 910 ND2 ASN A 80 24.306 -10.208 -32.974 1.00 23.32 N ATOM 911 HA ASN A 80 27.244 -13.124 -33.435 1.00 0.00 H ATOM 912 HB2 ASN A 80 24.891 -13.397 -33.675 1.00 0.00 H ATOM 913 HB3 ASN A 80 25.318 -12.487 -32.207 1.00 0.00 H ATOM 914 HD22 ASN A 80 25.005 -10.084 -32.214 1.00 0.00 H ATOM 915 HD21 ASN A 80 23.615 -9.457 -33.173 1.00 0.00 H ATOM 916 H ASN A 80 27.270 -10.172 -33.878 1.00 0.00 H ATOM 917 N ASN A 81 27.413 -13.406 -35.837 1.00 24.61 N ATOM 918 CA ASN A 81 27.459 -13.686 -37.268 1.00 27.48 C ATOM 919 C ASN A 81 27.240 -15.181 -37.479 1.00 30.28 C ATOM 920 O ASN A 81 26.859 -15.904 -36.540 1.00 28.25 O ATOM 921 CB ASN A 81 28.770 -13.210 -37.912 1.00 24.26 C ATOM 922 CG ASN A 81 30.002 -13.928 -37.367 1.00 25.54 C ATOM 923 OD1 ASN A 81 29.903 -14.970 -36.725 1.00 27.01 O ATOM 924 ND2 ASN A 81 31.173 -13.377 -37.649 1.00 24.36 N ATOM 925 HA ASN A 81 26.665 -13.127 -37.763 1.00 0.00 H ATOM 926 HB2 ASN A 81 28.713 -13.386 -38.986 1.00 0.00 H ATOM 927 HB3 ASN A 81 28.880 -12.142 -37.726 1.00 0.00 H ATOM 928 HD22 ASN A 81 31.214 -12.493 -38.196 1.00 0.00 H ATOM 929 HD21 ASN A 81 32.052 -13.828 -37.324 1.00 0.00 H ATOM 930 H ASN A 81 27.846 -14.084 -35.178 1.00 0.00 H ATOM 931 N SER A 82 27.505 -15.644 -38.690 1.00 27.63 N ATOM 932 CA SER A 82 27.203 -17.023 -39.044 1.00 30.28 C ATOM 933 C SER A 82 28.201 -18.007 -38.438 1.00 29.59 C ATOM 934 O SER A 82 27.928 -19.205 -38.371 1.00 31.37 O ATOM 935 CB SER A 82 27.100 -17.187 -40.571 1.00 31.32 C ATOM 936 OG SER A 82 28.352 -16.964 -41.203 1.00 29.97 O ATOM 937 HA SER A 82 26.231 -17.264 -38.613 1.00 0.00 H ATOM 938 HB2 SER A 82 26.375 -16.470 -40.957 1.00 0.00 H ATOM 939 HB3 SER A 82 26.764 -18.199 -40.797 1.00 0.00 H ATOM 940 HG SER A 82 28.251 -17.077 -42.181 1.00 0.00 H ATOM 941 H SER A 82 27.934 -15.015 -39.398 1.00 0.00 H ATOM 942 N THR A 83 29.343 -17.513 -37.970 1.00 27.05 N ATOM 943 CA THR A 83 30.321 -18.409 -37.359 1.00 30.73 C ATOM 944 C THR A 83 30.304 -18.440 -35.802 1.00 29.51 C ATOM 945 O THR A 83 30.513 -19.490 -35.191 1.00 28.11 O ATOM 946 CB THR A 83 31.750 -18.227 -37.978 1.00 34.60 C ATOM 947 OG1 THR A 83 32.604 -17.509 -37.085 1.00 39.56 O ATOM 948 CG2 THR A 83 31.683 -17.500 -39.298 1.00 32.58 C ATOM 949 HA THR A 83 29.994 -19.415 -37.623 1.00 0.00 H ATOM 950 HB THR A 83 32.161 -19.223 -38.144 1.00 0.00 H ATOM 951 HG1 THR A 83 33.499 -17.407 -37.497 1.00 0.00 H ATOM 952 HG23 THR A 83 31.032 -18.047 -39.980 1.00 0.00 H ATOM 953 HG21 THR A 83 31.285 -16.498 -39.139 1.00 0.00 H ATOM 954 HG22 THR A 83 32.684 -17.432 -39.725 1.00 0.00 H ATOM 955 H THR A 83 29.539 -16.494 -38.039 1.00 0.00 H ATOM 956 N GLU A 84 30.004 -17.317 -35.159 1.00 26.62 N ATOM 957 CA GLU A 84 29.960 -17.299 -33.695 1.00 25.37 C ATOM 958 C GLU A 84 29.055 -16.189 -33.138 1.00 25.97 C ATOM 959 O GLU A 84 29.016 -15.070 -33.658 1.00 21.98 O ATOM 960 CB GLU A 84 31.382 -17.185 -33.128 1.00 24.87 C ATOM 961 CG GLU A 84 31.488 -17.302 -31.608 1.00 22.85 C ATOM 962 CD GLU A 84 32.922 -17.241 -31.117 1.00 22.77 C ATOM 963 OE1 GLU A 84 33.856 -17.284 -31.957 1.00 24.53 O ATOM 964 OE2 GLU A 84 33.112 -17.153 -29.876 1.00 22.15 O ATOM 965 HA GLU A 84 29.518 -18.242 -33.373 1.00 0.00 H ATOM 966 HB2 GLU A 84 31.986 -17.977 -33.570 1.00 0.00 H ATOM 967 HB3 GLU A 84 31.785 -16.216 -33.421 1.00 0.00 H ATOM 968 HG2 GLU A 84 30.928 -16.484 -31.155 1.00 0.00 H ATOM 969 HG3 GLU A 84 31.053 -18.253 -31.300 1.00 0.00 H ATOM 970 H GLU A 84 29.800 -16.450 -35.696 1.00 0.00 H ATOM 971 N ASN A 85 28.324 -16.515 -32.082 1.00 24.18 N ATOM 972 CA ASN A 85 27.441 -15.562 -31.430 1.00 21.03 C ATOM 973 C ASN A 85 27.875 -15.382 -29.983 1.00 24.73 C ATOM 974 O ASN A 85 27.822 -16.324 -29.189 1.00 20.96 O ATOM 975 CB ASN A 85 26.008 -16.085 -31.499 1.00 22.98 C ATOM 976 CG ASN A 85 24.991 -15.112 -30.951 1.00 22.13 C ATOM 977 OD1 ASN A 85 25.325 -14.084 -30.367 1.00 22.22 O ATOM 978 ND2 ASN A 85 23.722 -15.447 -31.129 1.00 26.02 N ATOM 979 HA ASN A 85 27.491 -14.596 -31.932 1.00 0.00 H ATOM 980 HB2 ASN A 85 25.764 -16.291 -32.541 1.00 0.00 H ATOM 981 HB3 ASN A 85 25.948 -17.009 -30.924 1.00 0.00 H ATOM 982 HD22 ASN A 85 23.482 -16.327 -31.629 1.00 0.00 H ATOM 983 HD21 ASN A 85 22.966 -14.830 -30.769 1.00 0.00 H ATOM 984 H ASN A 85 28.384 -17.483 -31.708 1.00 0.00 H ATOM 985 N CYS A 86 28.302 -14.173 -29.634 1.00 21.07 N ATOM 986 CA CYS A 86 28.745 -13.901 -28.268 1.00 20.60 C ATOM 987 C CYS A 86 27.697 -13.189 -27.414 1.00 22.61 C ATOM 988 O CYS A 86 27.989 -12.788 -26.290 1.00 20.83 O ATOM 989 CB CYS A 86 30.053 -13.108 -28.264 1.00 17.72 C ATOM 990 SG CYS A 86 31.487 -14.056 -28.803 1.00 22.67 S ATOM 991 HA CYS A 86 28.909 -14.877 -27.812 1.00 0.00 H ATOM 992 HB2 CYS A 86 30.237 -12.755 -27.249 1.00 0.00 H ATOM 993 HB3 CYS A 86 29.937 -12.253 -28.930 1.00 0.00 H ATOM 994 HG CYS A 86 30.314 -14.658 -28.395 1.00 0.00 H ATOM 995 H CYS A 86 28.321 -13.411 -30.342 1.00 0.00 H ATOM 996 N HIS A 87 26.484 -13.046 -27.945 1.00 19.35 N ATOM 997 CA HIS A 87 25.369 -12.435 -27.217 1.00 19.58 C ATOM 998 C HIS A 87 25.723 -11.082 -26.590 1.00 21.09 C ATOM 999 O HIS A 87 25.386 -10.789 -25.439 1.00 18.52 O ATOM 1000 CB HIS A 87 24.835 -13.408 -26.169 1.00 22.33 C ATOM 1001 CG HIS A 87 24.391 -14.713 -26.749 1.00 22.22 C ATOM 1002 ND1 HIS A 87 23.091 -14.945 -27.146 1.00 21.71 N ATOM 1003 CD2 HIS A 87 25.077 -15.845 -27.029 1.00 22.89 C ATOM 1004 CE1 HIS A 87 22.993 -16.174 -27.622 1.00 22.37 C ATOM 1005 NE2 HIS A 87 24.186 -16.741 -27.569 1.00 21.42 N ATOM 1006 HA HIS A 87 24.587 -12.226 -27.946 1.00 0.00 H ATOM 1007 HB2 HIS A 87 25.624 -13.602 -25.442 1.00 0.00 H ATOM 1008 HB3 HIS A 87 23.986 -12.945 -25.667 1.00 0.00 H ATOM 1009 HD2 HIS A 87 26.140 -16.015 -26.858 1.00 0.00 H ATOM 1010 HE1 HIS A 87 22.082 -16.641 -27.995 1.00 0.00 H ATOM 1011 H HIS A 87 26.322 -13.382 -28.916 1.00 0.00 H ATOM 1012 N SER A 88 26.401 -10.259 -27.380 1.00 18.97 N ATOM 1013 CA SER A 88 26.948 -9.003 -26.904 1.00 18.67 C ATOM 1014 C SER A 88 27.090 -8.031 -28.064 1.00 18.91 C ATOM 1015 O SER A 88 26.927 -8.411 -29.231 1.00 19.02 O ATOM 1016 CB SER A 88 28.336 -9.250 -26.308 1.00 18.50 C ATOM 1017 OG SER A 88 29.205 -9.843 -27.287 1.00 17.69 O ATOM 1018 HA SER A 88 26.279 -8.587 -26.151 1.00 0.00 H ATOM 1019 HB2 SER A 88 28.246 -9.921 -25.454 1.00 0.00 H ATOM 1020 HB3 SER A 88 28.760 -8.301 -25.979 1.00 0.00 H ATOM 1021 HG SER A 88 30.097 -9.996 -26.885 1.00 0.00 H ATOM 1022 H SER A 88 26.545 -10.524 -28.375 1.00 0.00 H ATOM 1023 N ARG A 89 27.422 -6.786 -27.742 1.00 16.96 N ATOM 1024 CA ARG A 89 27.740 -5.804 -28.758 1.00 19.38 C ATOM 1025 C ARG A 89 28.707 -4.835 -28.125 1.00 19.99 C ATOM 1026 O ARG A 89 28.783 -4.750 -26.897 1.00 17.69 O ATOM 1027 CB ARG A 89 26.489 -5.062 -29.210 1.00 20.08 C ATOM 1028 CG ARG A 89 25.944 -4.090 -28.180 1.00 21.87 C ATOM 1029 CD ARG A 89 24.689 -3.365 -28.685 1.00 26.93 C ATOM 1030 NE ARG A 89 24.154 -2.428 -27.695 1.00 24.52 N ATOM 1031 CZ ARG A 89 23.214 -2.739 -26.808 1.00 26.02 C ATOM 1032 NH1 ARG A 89 22.707 -3.964 -26.772 1.00 23.96 N ATOM 1033 NH2 ARG A 89 22.781 -1.826 -25.950 1.00 26.08 N ATOM 1034 HA ARG A 89 28.167 -6.286 -29.638 1.00 0.00 H ATOM 1035 HB2 ARG A 89 26.729 -4.504 -30.115 1.00 0.00 H ATOM 1036 HB3 ARG A 89 25.715 -5.797 -29.432 1.00 0.00 H ATOM 1037 HG2 ARG A 89 25.692 -4.641 -27.274 1.00 0.00 H ATOM 1038 HG3 ARG A 89 26.711 -3.350 -27.953 1.00 0.00 H ATOM 1039 HD2 ARG A 89 23.924 -4.106 -28.916 1.00 0.00 H ATOM 1040 HD3 ARG A 89 24.943 -2.813 -29.590 1.00 0.00 H ATOM 1041 HE ARG A 89 24.533 -1.459 -27.685 1.00 0.00 H ATOM 1042 HH12 ARG A 89 21.972 -4.202 -26.076 1.00 0.00 H ATOM 1043 HH11 ARG A 89 23.045 -4.686 -27.440 1.00 0.00 H ATOM 1044 HH22 ARG A 89 22.046 -2.071 -25.257 1.00 0.00 H ATOM 1045 HH21 ARG A 89 23.177 -0.864 -25.970 1.00 0.00 H ATOM 1046 H ARG A 89 27.454 -6.511 -26.740 1.00 0.00 H ATOM 1047 N THR A 90 29.456 -4.119 -28.958 1.00 15.31 N ATOM 1048 CA THR A 90 30.347 -3.093 -28.464 1.00 17.42 C ATOM 1049 C THR A 90 30.131 -1.813 -29.250 1.00 18.58 C ATOM 1050 O THR A 90 29.964 -1.845 -30.468 1.00 17.87 O ATOM 1051 CB THR A 90 31.827 -3.509 -28.552 1.00 18.01 C ATOM 1052 OG1 THR A 90 32.025 -4.735 -27.828 1.00 14.47 O ATOM 1053 CG2 THR A 90 32.745 -2.397 -27.960 1.00 16.10 C ATOM 1054 HA THR A 90 30.114 -2.936 -27.411 1.00 0.00 H ATOM 1055 HB THR A 90 32.088 -3.655 -29.600 1.00 0.00 H ATOM 1056 HG1 THR A 90 32.977 -5.001 -27.886 1.00 0.00 H ATOM 1057 HG23 THR A 90 32.592 -1.469 -28.512 1.00 0.00 H ATOM 1058 HG21 THR A 90 32.496 -2.242 -26.910 1.00 0.00 H ATOM 1059 HG22 THR A 90 33.787 -2.704 -28.046 1.00 0.00 H ATOM 1060 H THR A 90 29.400 -4.300 -29.981 1.00 0.00 H ATOM 1061 N GLU A 91 30.122 -0.698 -28.530 1.00 15.77 N ATOM 1062 CA GLU A 91 30.033 0.623 -29.109 1.00 18.83 C ATOM 1063 C GLU A 91 31.273 1.401 -28.731 1.00 17.00 C ATOM 1064 O GLU A 91 31.645 1.465 -27.549 1.00 16.55 O ATOM 1065 CB GLU A 91 28.783 1.313 -28.593 1.00 20.96 C ATOM 1066 CG GLU A 91 27.524 0.589 -29.009 1.00 22.47 C ATOM 1067 CD GLU A 91 26.303 1.089 -28.270 1.00 30.57 C ATOM 1068 OE1 GLU A 91 26.133 0.715 -27.092 1.00 33.73 O ATOM 1069 OE2 GLU A 91 25.514 1.855 -28.859 1.00 35.91 O ATOM 1070 HA GLU A 91 29.969 0.563 -30.195 1.00 0.00 H ATOM 1071 HB2 GLU A 91 28.825 1.350 -27.504 1.00 0.00 H ATOM 1072 HB3 GLU A 91 28.752 2.328 -28.988 1.00 0.00 H ATOM 1073 HG2 GLU A 91 27.372 0.736 -30.078 1.00 0.00 H ATOM 1074 HG3 GLU A 91 27.647 -0.474 -28.804 1.00 0.00 H ATOM 1075 H GLU A 91 30.182 -0.779 -27.495 1.00 0.00 H ATOM 1076 N TRP A 92 31.937 1.951 -29.744 1.00 14.72 N ATOM 1077 CA TRP A 92 33.141 2.744 -29.556 1.00 17.53 C ATOM 1078 C TRP A 92 32.784 4.207 -29.790 1.00 22.67 C ATOM 1079 O TRP A 92 32.066 4.523 -30.742 1.00 20.23 O ATOM 1080 CB TRP A 92 34.199 2.374 -30.595 1.00 17.52 C ATOM 1081 CG TRP A 92 34.939 1.090 -30.392 1.00 16.63 C ATOM 1082 CD1 TRP A 92 36.191 0.953 -29.894 1.00 16.40 C ATOM 1083 CD2 TRP A 92 34.496 -0.233 -30.736 1.00 14.76 C ATOM 1084 NE1 TRP A 92 36.561 -0.374 -29.886 1.00 14.02 N ATOM 1085 CE2 TRP A 92 35.532 -1.125 -30.393 1.00 16.22 C ATOM 1086 CE3 TRP A 92 33.322 -0.750 -31.299 1.00 17.57 C ATOM 1087 CZ2 TRP A 92 35.440 -2.507 -30.595 1.00 16.07 C ATOM 1088 CZ3 TRP A 92 33.229 -2.125 -31.511 1.00 18.48 C ATOM 1089 CH2 TRP A 92 34.278 -2.985 -31.150 1.00 17.53 C ATOM 1090 HA TRP A 92 33.527 2.564 -28.553 1.00 0.00 H ATOM 1091 HB2 TRP A 92 33.702 2.316 -31.563 1.00 0.00 H ATOM 1092 HB3 TRP A 92 34.935 3.177 -30.614 1.00 0.00 H ATOM 1093 HE1 TRP A 92 37.472 -0.746 -29.550 1.00 0.00 H ATOM 1094 HD1 TRP A 92 36.817 1.776 -29.549 1.00 0.00 H ATOM 1095 HZ2 TRP A 92 36.256 -3.176 -30.323 1.00 0.00 H ATOM 1096 HH2 TRP A 92 34.168 -4.057 -31.314 1.00 0.00 H ATOM 1097 HZ3 TRP A 92 32.328 -2.538 -31.964 1.00 0.00 H ATOM 1098 HE3 TRP A 92 32.497 -0.090 -31.566 1.00 0.00 H ATOM 1099 H TRP A 92 31.580 1.808 -30.710 1.00 0.00 H ATOM 1100 N ARG A 93 33.288 5.093 -28.938 1.00 22.40 N ATOM 1101 CA ARG A 93 33.223 6.528 -29.221 1.00 25.04 C ATOM 1102 C ARG A 93 34.642 7.060 -29.224 1.00 25.58 C ATOM 1103 O ARG A 93 35.407 6.825 -28.289 1.00 24.71 O ATOM 1104 CB ARG A 93 32.366 7.258 -28.191 1.00 30.16 C ATOM 1105 CG ARG A 93 30.904 6.822 -28.187 1.00 33.20 C ATOM 1106 CD ARG A 93 30.111 7.545 -27.093 1.00 42.71 C ATOM 1107 NE ARG A 93 30.089 8.993 -27.302 1.00 52.02 N ATOM 1108 CZ ARG A 93 29.693 9.879 -26.390 1.00 54.06 C ATOM 1109 NH1 ARG A 93 29.285 9.468 -25.194 1.00 55.53 N ATOM 1110 NH2 ARG A 93 29.705 11.177 -26.670 1.00 51.46 N ATOM 1111 HA ARG A 93 32.754 6.697 -30.190 1.00 0.00 H ATOM 1112 HB2 ARG A 93 32.783 7.071 -27.202 1.00 0.00 H ATOM 1113 HB3 ARG A 93 32.406 8.326 -28.405 1.00 0.00 H ATOM 1114 HG2 ARG A 93 30.462 7.051 -29.157 1.00 0.00 H ATOM 1115 HG3 ARG A 93 30.854 5.747 -28.011 1.00 0.00 H ATOM 1116 HD2 ARG A 93 30.570 7.335 -26.127 1.00 0.00 H ATOM 1117 HD3 ARG A 93 29.087 7.173 -27.095 1.00 0.00 H ATOM 1118 HE ARG A 93 30.404 9.355 -28.225 1.00 0.00 H ATOM 1119 HH12 ARG A 93 28.976 10.162 -24.483 1.00 0.00 H ATOM 1120 HH11 ARG A 93 29.275 8.453 -24.969 1.00 0.00 H ATOM 1121 HH22 ARG A 93 29.395 11.866 -25.955 1.00 0.00 H ATOM 1122 HH21 ARG A 93 30.024 11.505 -27.604 1.00 0.00 H ATOM 1123 H ARG A 93 33.734 4.763 -28.059 1.00 0.00 H ATOM 1124 N GLY A 94 35.018 7.758 -30.289 1.00 26.15 N ATOM 1125 CA GLY A 94 36.410 8.106 -30.466 1.00 25.13 C ATOM 1126 C GLY A 94 36.681 9.492 -31.008 1.00 26.95 C ATOM 1127 O GLY A 94 35.764 10.242 -31.342 1.00 25.32 O ATOM 1128 HA3 GLY A 94 36.850 7.386 -31.156 1.00 0.00 H ATOM 1129 HA2 GLY A 94 36.901 8.025 -29.496 1.00 0.00 H ATOM 1130 H GLY A 94 34.313 8.054 -30.994 1.00 0.00 H ATOM 1131 N GLN A 95 37.963 9.821 -31.074 1.00 25.67 N ATOM 1132 CA GLN A 95 38.415 11.041 -31.708 1.00 32.14 C ATOM 1133 C GLN A 95 39.678 10.808 -32.546 1.00 32.16 C ATOM 1134 O GLN A 95 40.609 10.128 -32.114 1.00 30.05 O ATOM 1135 CB GLN A 95 38.644 12.128 -30.670 1.00 32.17 C ATOM 1136 CG GLN A 95 38.568 13.527 -31.259 1.00 35.65 C ATOM 1137 CD GLN A 95 38.336 14.554 -30.201 1.00 34.10 C ATOM 1138 OE1 GLN A 95 37.451 15.404 -30.314 1.00 37.81 O ATOM 1139 NE2 GLN A 95 39.114 14.466 -29.134 1.00 36.51 N ATOM 1140 HA GLN A 95 37.631 11.373 -32.388 1.00 0.00 H ATOM 1141 HB2 GLN A 95 37.885 12.035 -29.893 1.00 0.00 H ATOM 1142 HB3 GLN A 95 39.631 11.988 -30.230 1.00 0.00 H ATOM 1143 HG2 GLN A 95 39.506 13.749 -31.769 1.00 0.00 H ATOM 1144 HG3 GLN A 95 37.748 13.566 -31.976 1.00 0.00 H ATOM 1145 HE22 GLN A 95 39.848 13.731 -29.085 1.00 0.00 H ATOM 1146 HE21 GLN A 95 38.991 15.132 -28.345 1.00 0.00 H ATOM 1147 H GLN A 95 38.668 9.181 -30.656 1.00 0.00 H ATOM 1148 N TYR A 96 39.677 11.382 -33.750 1.00 35.17 N ATOM 1149 CA TYR A 96 40.741 11.241 -34.744 1.00 32.14 C ATOM 1150 C TYR A 96 41.982 12.098 -34.459 1.00 34.94 C ATOM 1151 O TYR A 96 41.874 13.234 -34.009 1.00 40.35 O ATOM 1152 CB TYR A 96 40.169 11.633 -36.103 1.00 36.09 C ATOM 1153 CG TYR A 96 41.048 11.355 -37.295 1.00 38.68 C ATOM 1154 CD1 TYR A 96 40.962 10.141 -37.970 1.00 33.52 C ATOM 1155 CD2 TYR A 96 41.935 12.325 -37.781 1.00 39.72 C ATOM 1156 CE1 TYR A 96 41.753 9.884 -39.084 1.00 35.92 C ATOM 1157 CE2 TYR A 96 42.732 12.078 -38.894 1.00 38.60 C ATOM 1158 CZ TYR A 96 42.634 10.854 -39.542 1.00 38.95 C ATOM 1159 OH TYR A 96 43.414 10.594 -40.649 1.00 40.58 O ATOM 1160 HA TYR A 96 41.075 10.204 -34.715 1.00 0.00 H ATOM 1161 HB3 TYR A 96 39.963 12.703 -36.082 1.00 0.00 H ATOM 1162 HB2 TYR A 96 39.236 11.088 -36.242 1.00 0.00 H ATOM 1163 HD2 TYR A 96 42.002 13.290 -37.278 1.00 0.00 H ATOM 1164 HE2 TYR A 96 43.426 12.837 -39.254 1.00 0.00 H ATOM 1165 HE1 TYR A 96 41.682 8.924 -39.596 1.00 0.00 H ATOM 1166 HD1 TYR A 96 40.264 9.380 -37.620 1.00 0.00 H ATOM 1167 HH TYR A 96 43.218 9.683 -40.983 1.00 0.00 H ATOM 1168 H TYR A 96 38.859 11.974 -34.001 1.00 0.00 H ATOM 1169 N GLN A 97 43.161 11.544 -34.725 1.00 36.41 N ATOM 1170 CA GLN A 97 44.405 12.318 -34.726 1.00 36.36 C ATOM 1171 C GLN A 97 44.965 12.303 -36.150 1.00 40.67 C ATOM 1172 O GLN A 97 44.847 11.297 -36.853 1.00 36.87 O ATOM 1173 CB GLN A 97 45.423 11.734 -33.747 1.00 35.74 C ATOM 1174 HA GLN A 97 44.202 13.340 -34.405 1.00 0.00 H ATOM 1175 HB2 GLN A 97 45.006 11.748 -32.740 1.00 0.00 H ATOM 1176 HB3 GLN A 97 45.652 10.707 -34.033 1.00 0.00 H ATOM 1177 H GLN A 97 43.202 10.527 -34.940 1.00 0.00 H ATOM 1178 N GLY A 98 45.610 13.399 -36.543 1.00 38.76 N ATOM 1179 CA GLY A 98 45.720 13.776 -37.941 1.00 39.19 C ATOM 1180 C GLY A 98 46.602 13.106 -38.977 1.00 40.38 C ATOM 1181 O GLY A 98 46.085 12.528 -39.933 1.00 45.69 O ATOM 1182 HA3 GLY A 98 46.032 14.820 -37.932 1.00 0.00 H ATOM 1183 HA2 GLY A 98 44.707 13.704 -38.337 1.00 0.00 H ATOM 1184 H GLY A 98 46.051 14.007 -35.823 1.00 0.00 H ATOM 1185 N GLY A 99 47.920 13.225 -38.839 1.00 41.11 N ATOM 1186 CA GLY A 99 48.809 12.832 -39.919 1.00 43.28 C ATOM 1187 C GLY A 99 49.988 11.993 -39.484 1.00 44.56 C ATOM 1188 O GLY A 99 50.015 11.495 -38.359 1.00 46.72 O ATOM 1189 HA3 GLY A 99 49.190 13.736 -40.393 1.00 0.00 H ATOM 1190 HA2 GLY A 99 48.232 12.259 -40.644 1.00 0.00 H ATOM 1191 H GLY A 99 48.316 13.601 -37.954 1.00 0.00 H ATOM 1192 N ALA A 100 50.971 11.865 -40.373 1.00 49.39 N ATOM 1193 CA ALA A 100 52.086 10.942 -40.174 1.00 51.16 C ATOM 1194 C ALA A 100 51.523 9.577 -39.773 1.00 48.66 C ATOM 1195 O ALA A 100 51.168 8.768 -40.631 1.00 48.75 O ATOM 1196 CB ALA A 100 53.062 11.478 -39.128 1.00 46.99 C ATOM 1197 HA ALA A 100 52.649 10.839 -41.101 1.00 0.00 H ATOM 1198 HB1 ALA A 100 53.458 12.438 -39.460 1.00 0.00 H ATOM 1199 HB2 ALA A 100 52.541 11.607 -38.179 1.00 0.00 H ATOM 1200 HB3 ALA A 100 53.881 10.770 -39.001 1.00 0.00 H ATOM 1201 H ALA A 100 50.944 12.441 -41.238 1.00 0.00 H ATOM 1202 N GLU A 101 51.411 9.335 -38.473 1.00 45.44 N ATOM 1203 CA GLU A 101 50.676 8.166 -38.006 1.00 45.77 C ATOM 1204 C GLU A 101 49.286 8.578 -37.481 1.00 42.94 C ATOM 1205 O GLU A 101 49.139 9.005 -36.326 1.00 41.03 O ATOM 1206 CB GLU A 101 51.472 7.402 -36.945 1.00 46.75 C ATOM 1207 HA GLU A 101 50.531 7.492 -38.850 1.00 0.00 H ATOM 1208 HB2 GLU A 101 52.419 7.072 -37.371 1.00 0.00 H ATOM 1209 HB3 GLU A 101 51.663 8.057 -36.095 1.00 0.00 H ATOM 1210 H GLU A 101 51.849 9.981 -37.786 1.00 0.00 H ATOM 1211 N ALA A 102 48.278 8.464 -38.347 1.00 38.52 N ATOM 1212 CA ALA A 102 46.904 8.806 -37.992 1.00 34.08 C ATOM 1213 C ALA A 102 46.438 7.920 -36.833 1.00 32.30 C ATOM 1214 O ALA A 102 46.814 6.753 -36.761 1.00 29.84 O ATOM 1215 CB ALA A 102 45.992 8.634 -39.201 1.00 34.15 C ATOM 1216 HA ALA A 102 46.861 9.849 -37.677 1.00 0.00 H ATOM 1217 HB1 ALA A 102 46.328 9.290 -40.004 1.00 0.00 H ATOM 1218 HB2 ALA A 102 46.028 7.598 -39.537 1.00 0.00 H ATOM 1219 HB3 ALA A 102 44.970 8.892 -38.923 1.00 0.00 H ATOM 1220 H ALA A 102 48.478 8.120 -39.308 1.00 0.00 H ATOM 1221 N ARG A 103 45.635 8.478 -35.927 1.00 28.93 N ATOM 1222 CA ARG A 103 45.200 7.740 -34.747 1.00 30.79 C ATOM 1223 C ARG A 103 43.757 8.017 -34.370 1.00 28.03 C ATOM 1224 O ARG A 103 43.226 9.099 -34.637 1.00 27.00 O ATOM 1225 CB ARG A 103 46.122 8.015 -33.555 1.00 33.17 C ATOM 1226 CG ARG A 103 47.046 6.852 -33.256 1.00 36.55 C ATOM 1227 CD ARG A 103 48.280 7.265 -32.467 1.00 45.10 C ATOM 1228 NE ARG A 103 49.257 6.174 -32.422 1.00 53.73 N ATOM 1229 CZ ARG A 103 49.713 5.613 -31.303 1.00 51.37 C ATOM 1230 NH1 ARG A 103 49.296 6.051 -30.120 1.00 48.12 N ATOM 1231 NH2 ARG A 103 50.596 4.620 -31.369 1.00 49.06 N ATOM 1232 HA ARG A 103 45.262 6.684 -35.011 1.00 0.00 H ATOM 1233 HB2 ARG A 103 46.727 8.895 -33.776 1.00 0.00 H ATOM 1234 HB3 ARG A 103 45.508 8.209 -32.675 1.00 0.00 H ATOM 1235 HG2 ARG A 103 46.496 6.109 -32.678 1.00 0.00 H ATOM 1236 HG3 ARG A 103 47.367 6.411 -34.200 1.00 0.00 H ATOM 1237 HD2 ARG A 103 47.985 7.523 -31.450 1.00 0.00 H ATOM 1238 HD3 ARG A 103 48.735 8.133 -32.943 1.00 0.00 H ATOM 1239 HE ARG A 103 49.620 5.812 -33.327 1.00 0.00 H ATOM 1240 HH12 ARG A 103 49.653 5.612 -29.248 1.00 0.00 H ATOM 1241 HH11 ARG A 103 48.613 6.833 -30.066 1.00 0.00 H ATOM 1242 HH22 ARG A 103 50.952 4.182 -30.496 1.00 0.00 H ATOM 1243 HH21 ARG A 103 50.930 4.282 -32.294 1.00 0.00 H ATOM 1244 H ARG A 103 45.313 9.457 -36.064 1.00 0.00 H ATOM 1245 N ILE A 104 43.124 7.012 -33.771 1.00 25.45 N ATOM 1246 CA ILE A 104 41.805 7.171 -33.194 1.00 25.36 C ATOM 1247 C ILE A 104 41.864 6.705 -31.749 1.00 26.64 C ATOM 1248 O ILE A 104 42.153 5.534 -31.472 1.00 26.15 O ATOM 1249 CB ILE A 104 40.734 6.348 -33.929 1.00 24.63 C ATOM 1250 CG1 ILE A 104 40.780 6.605 -35.434 1.00 29.87 C ATOM 1251 CG2 ILE A 104 39.358 6.673 -33.388 1.00 24.98 C ATOM 1252 CD1 ILE A 104 39.787 5.791 -36.222 1.00 26.33 C ATOM 1253 HA ILE A 104 41.526 8.221 -33.276 1.00 0.00 H ATOM 1254 HB ILE A 104 40.944 5.292 -33.757 1.00 0.00 H ATOM 1255 HG12 ILE A 104 40.574 7.661 -35.609 1.00 0.00 H ATOM 1256 HG13 ILE A 104 41.781 6.367 -35.793 1.00 0.00 H ATOM 1257 HD11 ILE A 104 39.986 4.730 -36.069 1.00 0.00 H ATOM 1258 HD12 ILE A 104 38.778 6.026 -35.884 1.00 0.00 H ATOM 1259 HD13 ILE A 104 39.882 6.030 -37.281 1.00 0.00 H ATOM 1260 HG21 ILE A 104 39.322 6.436 -32.325 1.00 0.00 H ATOM 1261 HG22 ILE A 104 39.153 7.734 -33.532 1.00 0.00 H ATOM 1262 HG23 ILE A 104 38.611 6.082 -33.919 1.00 0.00 H ATOM 1263 H ILE A 104 43.590 6.084 -33.715 1.00 0.00 H ATOM 1264 N ASN A 105 41.606 7.628 -30.831 1.00 25.23 N ATOM 1265 CA ASN A 105 41.541 7.312 -29.408 1.00 26.45 C ATOM 1266 C ASN A 105 40.096 7.077 -29.053 1.00 22.15 C ATOM 1267 O ASN A 105 39.260 7.935 -29.313 1.00 26.30 O ATOM 1268 CB ASN A 105 42.087 8.482 -28.589 1.00 25.29 C ATOM 1269 CG ASN A 105 43.572 8.662 -28.770 1.00 30.70 C ATOM 1270 OD1 ASN A 105 44.322 7.686 -28.839 1.00 34.64 O ATOM 1271 ND2 ASN A 105 44.009 9.907 -28.867 1.00 30.24 N ATOM 1272 HA ASN A 105 42.139 6.427 -29.189 1.00 0.00 H ATOM 1273 HB2 ASN A 105 41.582 9.396 -28.902 1.00 0.00 H ATOM 1274 HB3 ASN A 105 41.882 8.298 -27.534 1.00 0.00 H ATOM 1275 HD22 ASN A 105 43.339 10.700 -28.803 1.00 0.00 H ATOM 1276 HD21 ASN A 105 45.023 10.093 -29.007 1.00 0.00 H ATOM 1277 H ASN A 105 41.445 8.609 -31.136 1.00 0.00 H ATOM 1278 N THR A 106 39.786 5.920 -28.474 1.00 23.28 N ATOM 1279 CA THR A 106 38.392 5.560 -28.225 1.00 18.71 C ATOM 1280 C THR A 106 38.137 5.085 -26.808 1.00 21.28 C ATOM 1281 O THR A 106 39.036 4.605 -26.132 1.00 19.53 O ATOM 1282 CB THR A 106 37.923 4.394 -29.131 1.00 21.29 C ATOM 1283 OG1 THR A 106 38.543 3.175 -28.700 1.00 19.45 O ATOM 1284 CG2 THR A 106 38.287 4.633 -30.591 1.00 21.03 C ATOM 1285 HA THR A 106 37.848 6.483 -28.427 1.00 0.00 H ATOM 1286 HB THR A 106 36.838 4.328 -29.050 1.00 0.00 H ATOM 1287 HG1 THR A 106 39.527 3.267 -28.762 1.00 0.00 H ATOM 1288 HG23 THR A 106 37.822 5.558 -30.933 1.00 0.00 H ATOM 1289 HG21 THR A 106 39.370 4.712 -30.686 1.00 0.00 H ATOM 1290 HG22 THR A 106 37.928 3.799 -31.195 1.00 0.00 H ATOM 1291 H THR A 106 40.544 5.265 -28.196 1.00 0.00 H ATOM 1292 N GLN A 107 36.887 5.214 -26.378 1.00 18.78 N ATOM 1293 CA GLN A 107 36.406 4.540 -25.194 1.00 19.51 C ATOM 1294 C GLN A 107 35.307 3.620 -25.704 1.00 19.07 C ATOM 1295 O GLN A 107 34.537 3.997 -26.581 1.00 20.59 O ATOM 1296 CB GLN A 107 35.855 5.545 -24.176 1.00 20.35 C ATOM 1297 HA GLN A 107 37.195 3.995 -24.677 1.00 0.00 H ATOM 1298 HB2 GLN A 107 36.645 6.238 -23.888 1.00 0.00 H ATOM 1299 HB3 GLN A 107 35.030 6.098 -24.624 1.00 0.00 H ATOM 1300 H GLN A 107 36.232 5.821 -26.912 1.00 0.00 H ATOM 1301 N TRP A 108 35.255 2.391 -25.208 1.00 19.58 N ATOM 1302 CA TRP A 108 34.175 1.520 -25.625 1.00 16.85 C ATOM 1303 C TRP A 108 33.306 1.031 -24.486 1.00 18.71 C ATOM 1304 O TRP A 108 33.717 1.013 -23.316 1.00 17.52 O ATOM 1305 CB TRP A 108 34.672 0.346 -26.469 1.00 16.12 C ATOM 1306 CG TRP A 108 35.806 -0.409 -25.871 1.00 17.35 C ATOM 1307 CD1 TRP A 108 37.127 -0.266 -26.176 1.00 17.31 C ATOM 1308 CD2 TRP A 108 35.732 -1.433 -24.869 1.00 16.57 C ATOM 1309 NE1 TRP A 108 37.881 -1.130 -25.425 1.00 18.03 N ATOM 1310 CE2 TRP A 108 37.055 -1.851 -24.605 1.00 16.47 C ATOM 1311 CE3 TRP A 108 34.683 -2.024 -24.156 1.00 17.23 C ATOM 1312 CZ2 TRP A 108 37.358 -2.845 -23.674 1.00 17.37 C ATOM 1313 CZ3 TRP A 108 34.992 -3.012 -23.212 1.00 16.70 C ATOM 1314 CH2 TRP A 108 36.316 -3.408 -22.989 1.00 14.53 C ATOM 1315 HA TRP A 108 33.539 2.147 -26.250 1.00 0.00 H ATOM 1316 HB2 TRP A 108 33.842 -0.345 -26.614 1.00 0.00 H ATOM 1317 HB3 TRP A 108 34.993 0.734 -27.436 1.00 0.00 H ATOM 1318 HE1 TRP A 108 38.916 -1.223 -25.471 1.00 0.00 H ATOM 1319 HD1 TRP A 108 37.526 0.434 -26.910 1.00 0.00 H ATOM 1320 HZ2 TRP A 108 38.386 -3.161 -23.499 1.00 0.00 H ATOM 1321 HH2 TRP A 108 36.522 -4.184 -22.252 1.00 0.00 H ATOM 1322 HZ3 TRP A 108 34.189 -3.480 -22.642 1.00 0.00 H ATOM 1323 HE3 TRP A 108 33.650 -1.723 -24.331 1.00 0.00 H ATOM 1324 H TRP A 108 35.974 2.060 -24.534 1.00 0.00 H ATOM 1325 N ASN A 109 32.101 0.628 -24.866 1.00 17.07 N ATOM 1326 CA ASN A 109 31.135 0.007 -23.976 1.00 20.83 C ATOM 1327 C ASN A 109 30.640 -1.277 -24.604 1.00 19.86 C ATOM 1328 O ASN A 109 30.109 -1.265 -25.725 1.00 19.34 O ATOM 1329 CB ASN A 109 29.963 0.942 -23.717 1.00 20.10 C ATOM 1330 CG ASN A 109 30.338 2.079 -22.821 1.00 27.24 C ATOM 1331 OD1 ASN A 109 30.528 1.892 -21.619 1.00 33.33 O ATOM 1332 ND2 ASN A 109 30.486 3.269 -23.397 1.00 33.92 N ATOM 1333 HA ASN A 109 31.616 -0.208 -23.022 1.00 0.00 H ATOM 1334 HB2 ASN A 109 29.617 1.344 -24.669 1.00 0.00 H ATOM 1335 HB3 ASN A 109 29.158 0.376 -23.249 1.00 0.00 H ATOM 1336 HD22 ASN A 109 30.314 3.378 -24.417 1.00 0.00 H ATOM 1337 HD21 ASN A 109 30.774 4.090 -22.827 1.00 0.00 H ATOM 1338 H ASN A 109 31.831 0.765 -25.861 1.00 0.00 H ATOM 1339 N LEU A 110 30.861 -2.378 -23.895 1.00 15.70 N ATOM 1340 CA LEU A 110 30.427 -3.707 -24.319 1.00 16.36 C ATOM 1341 C LEU A 110 29.201 -4.116 -23.514 1.00 19.14 C ATOM 1342 O LEU A 110 29.272 -4.293 -22.281 1.00 16.19 O ATOM 1343 CB LEU A 110 31.552 -4.749 -24.142 1.00 15.67 C ATOM 1344 CG LEU A 110 31.339 -6.159 -24.728 1.00 13.86 C ATOM 1345 CD1 LEU A 110 32.681 -6.875 -24.966 1.00 17.61 C ATOM 1346 CD2 LEU A 110 30.429 -7.038 -23.908 1.00 15.56 C ATOM 1347 HA LEU A 110 30.176 -3.668 -25.379 1.00 0.00 H ATOM 1348 HB2 LEU A 110 32.449 -4.338 -24.606 1.00 0.00 H ATOM 1349 HB3 LEU A 110 31.719 -4.866 -23.071 1.00 0.00 H ATOM 1350 HG LEU A 110 30.836 -5.994 -25.681 1.00 0.00 H ATOM 1351 HD21 LEU A 110 30.851 -7.166 -22.911 1.00 0.00 H ATOM 1352 HD22 LEU A 110 29.447 -6.571 -23.831 1.00 0.00 H ATOM 1353 HD23 LEU A 110 30.334 -8.011 -24.391 1.00 0.00 H ATOM 1354 HD11 LEU A 110 33.282 -6.295 -25.667 1.00 0.00 H ATOM 1355 HD12 LEU A 110 33.214 -6.969 -24.020 1.00 0.00 H ATOM 1356 HD13 LEU A 110 32.494 -7.866 -25.379 1.00 0.00 H ATOM 1357 H LEU A 110 31.369 -2.290 -22.992 1.00 0.00 H ATOM 1358 N THR A 111 28.078 -4.262 -24.210 1.00 17.18 N ATOM 1359 CA THR A 111 26.842 -4.662 -23.569 1.00 17.07 C ATOM 1360 C THR A 111 26.588 -6.135 -23.837 1.00 20.03 C ATOM 1361 O THR A 111 26.653 -6.595 -24.986 1.00 16.16 O ATOM 1362 CB THR A 111 25.648 -3.826 -24.042 1.00 20.20 C ATOM 1363 OG1 THR A 111 25.881 -2.452 -23.719 1.00 17.03 O ATOM 1364 CG2 THR A 111 24.337 -4.303 -23.359 1.00 21.10 C ATOM 1365 HA THR A 111 26.950 -4.491 -22.498 1.00 0.00 H ATOM 1366 HB THR A 111 25.540 -3.945 -25.120 1.00 0.00 H ATOM 1367 HG1 THR A 111 25.987 -2.358 -22.739 1.00 0.00 H ATOM 1368 HG23 THR A 111 24.160 -5.350 -23.606 1.00 0.00 H ATOM 1369 HG21 THR A 111 24.431 -4.194 -22.279 1.00 0.00 H ATOM 1370 HG22 THR A 111 23.503 -3.699 -23.715 1.00 0.00 H ATOM 1371 H THR A 111 28.087 -4.086 -25.235 1.00 0.00 H ATOM 1372 N TYR A 112 26.298 -6.868 -22.770 1.00 17.15 N ATOM 1373 CA TYR A 112 26.106 -8.313 -22.871 1.00 18.40 C ATOM 1374 C TYR A 112 24.978 -8.843 -21.963 1.00 20.41 C ATOM 1375 O TYR A 112 24.453 -8.125 -21.104 1.00 16.11 O ATOM 1376 CB TYR A 112 27.432 -9.059 -22.623 1.00 17.44 C ATOM 1377 CG TYR A 112 27.996 -8.906 -21.213 1.00 17.59 C ATOM 1378 CD1 TYR A 112 27.857 -9.920 -20.262 1.00 15.07 C ATOM 1379 CD2 TYR A 112 28.675 -7.750 -20.842 1.00 15.56 C ATOM 1380 CE1 TYR A 112 28.395 -9.758 -18.950 1.00 18.06 C ATOM 1381 CE2 TYR A 112 29.204 -7.588 -19.566 1.00 18.72 C ATOM 1382 CZ TYR A 112 29.067 -8.592 -18.625 1.00 16.25 C ATOM 1383 OH TYR A 112 29.606 -8.381 -17.358 1.00 18.54 O ATOM 1384 HA TYR A 112 25.782 -8.514 -23.892 1.00 0.00 H ATOM 1385 HB3 TYR A 112 28.172 -8.680 -23.328 1.00 0.00 H ATOM 1386 HB2 TYR A 112 27.265 -10.120 -22.809 1.00 0.00 H ATOM 1387 HD2 TYR A 112 28.796 -6.949 -21.571 1.00 0.00 H ATOM 1388 HE2 TYR A 112 29.728 -6.668 -19.307 1.00 0.00 H ATOM 1389 HE1 TYR A 112 28.277 -10.548 -18.208 1.00 0.00 H ATOM 1390 HD1 TYR A 112 27.335 -10.840 -20.524 1.00 0.00 H ATOM 1391 HH TYR A 112 29.436 -9.175 -16.792 1.00 0.00 H ATOM 1392 H TYR A 112 26.205 -6.405 -21.843 1.00 0.00 H ATOM 1393 N GLU A 113 24.577 -10.087 -22.208 1.00 19.50 N ATOM 1394 CA GLU A 113 23.551 -10.746 -21.414 1.00 21.25 C ATOM 1395 C GLU A 113 24.259 -11.329 -20.200 1.00 22.96 C ATOM 1396 O GLU A 113 25.042 -12.266 -20.330 1.00 22.71 O ATOM 1397 CB GLU A 113 22.867 -11.850 -22.223 1.00 21.94 C ATOM 1398 CG GLU A 113 22.176 -11.338 -23.475 1.00 24.38 C ATOM 1399 CD GLU A 113 21.931 -12.431 -24.509 1.00 23.19 C ATOM 1400 OE1 GLU A 113 21.999 -13.635 -24.163 1.00 21.20 O ATOM 1401 OE2 GLU A 113 21.694 -12.075 -25.685 1.00 26.25 O ATOM 1402 HA GLU A 113 22.772 -10.044 -21.116 1.00 0.00 H ATOM 1403 HB2 GLU A 113 23.620 -12.581 -22.518 1.00 0.00 H ATOM 1404 HB3 GLU A 113 22.123 -12.333 -21.590 1.00 0.00 H ATOM 1405 HG2 GLU A 113 21.216 -10.907 -23.191 1.00 0.00 H ATOM 1406 HG3 GLU A 113 22.800 -10.566 -23.926 1.00 0.00 H ATOM 1407 H GLU A 113 25.013 -10.608 -22.996 1.00 0.00 H ATOM 1408 N GLY A 114 24.004 -10.746 -19.032 1.00 22.44 N ATOM 1409 CA GLY A 114 24.777 -11.065 -17.843 1.00 25.13 C ATOM 1410 C GLY A 114 24.223 -12.172 -16.963 1.00 25.70 C ATOM 1411 O GLY A 114 24.954 -12.711 -16.123 1.00 26.76 O ATOM 1412 HA3 GLY A 114 24.846 -10.161 -17.238 1.00 0.00 H ATOM 1413 HA2 GLY A 114 25.775 -11.363 -18.164 1.00 0.00 H ATOM 1414 H GLY A 114 23.236 -10.048 -18.968 1.00 0.00 H ATOM 1415 N GLY A 115 22.950 -12.514 -17.161 1.00 26.24 N ATOM 1416 CA GLY A 115 22.275 -13.513 -16.342 1.00 28.20 C ATOM 1417 C GLY A 115 20.973 -13.052 -15.693 1.00 30.40 C ATOM 1418 O GLY A 115 19.967 -13.782 -15.659 1.00 25.53 O ATOM 1419 HA3 GLY A 115 22.958 -13.816 -15.549 1.00 0.00 H ATOM 1420 HA2 GLY A 115 22.051 -14.372 -16.975 1.00 0.00 H ATOM 1421 H GLY A 115 22.420 -12.052 -17.927 1.00 0.00 H ATOM 1422 N SER A 119 20.982 -11.835 -15.161 1.00 30.09 N ATOM 1423 CA SER A 119 19.773 -11.285 -14.555 1.00 29.60 C ATOM 1424 C SER A 119 19.376 -10.013 -15.283 1.00 29.57 C ATOM 1425 O SER A 119 18.518 -9.254 -14.830 1.00 31.37 O ATOM 1426 CB SER A 119 19.974 -11.049 -13.051 1.00 28.95 C ATOM 1427 OG SER A 119 21.119 -10.244 -12.804 1.00 33.55 O ATOM 1428 HA SER A 119 18.959 -12.003 -14.654 1.00 0.00 H ATOM 1429 HB2 SER A 119 20.102 -12.011 -12.554 1.00 0.00 H ATOM 1430 HB3 SER A 119 19.094 -10.548 -12.649 1.00 0.00 H ATOM 1431 HG SER A 119 21.923 -10.697 -13.163 1.00 0.00 H ATOM 1432 H SER A 119 21.855 -11.271 -15.176 1.00 0.00 H ATOM 1433 N GLY A 120 19.994 -9.809 -16.444 1.00 27.01 N ATOM 1434 CA GLY A 120 19.739 -8.640 -17.257 1.00 27.15 C ATOM 1435 C GLY A 120 21.015 -8.208 -17.940 1.00 21.13 C ATOM 1436 O GLY A 120 22.069 -8.816 -17.743 1.00 21.01 O ATOM 1437 HA3 GLY A 120 19.374 -7.831 -16.625 1.00 0.00 H ATOM 1438 HA2 GLY A 120 18.987 -8.878 -18.010 1.00 0.00 H ATOM 1439 H GLY A 120 20.683 -10.513 -16.778 1.00 0.00 H ATOM 1440 N PRO A 121 20.935 -7.138 -18.736 1.00 21.31 N ATOM 1441 CA PRO A 121 22.129 -6.670 -19.430 1.00 20.27 C ATOM 1442 C PRO A 121 23.207 -6.216 -18.453 1.00 19.88 C ATOM 1443 O PRO A 121 22.921 -5.718 -17.359 1.00 19.23 O ATOM 1444 CB PRO A 121 21.619 -5.475 -20.234 1.00 22.54 C ATOM 1445 CG PRO A 121 20.439 -4.997 -19.465 1.00 24.15 C ATOM 1446 CD PRO A 121 19.784 -6.252 -18.967 1.00 23.28 C ATOM 1447 HA PRO A 121 22.587 -7.451 -20.038 1.00 0.00 H ATOM 1448 HD3 PRO A 121 19.234 -6.071 -18.044 1.00 0.00 H ATOM 1449 HD2 PRO A 121 19.109 -6.668 -19.715 1.00 0.00 H ATOM 1450 HG3 PRO A 121 19.760 -4.437 -20.108 1.00 0.00 H ATOM 1451 HG2 PRO A 121 20.751 -4.367 -18.632 1.00 0.00 H ATOM 1452 HB2 PRO A 121 22.380 -4.698 -20.298 1.00 0.00 H ATOM 1453 HB3 PRO A 121 21.328 -5.780 -21.239 1.00 0.00 H ATOM 1454 N ALA A 122 24.452 -6.423 -18.852 1.00 16.75 N ATOM 1455 CA ALA A 122 25.563 -5.871 -18.126 1.00 17.01 C ATOM 1456 C ALA A 122 26.437 -5.160 -19.127 1.00 18.80 C ATOM 1457 O ALA A 122 26.297 -5.354 -20.351 1.00 15.96 O ATOM 1458 CB ALA A 122 26.336 -6.966 -17.395 1.00 21.34 C ATOM 1459 HA ALA A 122 25.216 -5.175 -17.362 1.00 0.00 H ATOM 1460 HB1 ALA A 122 25.673 -7.469 -16.691 1.00 0.00 H ATOM 1461 HB2 ALA A 122 26.714 -7.687 -18.119 1.00 0.00 H ATOM 1462 HB3 ALA A 122 27.171 -6.520 -16.854 1.00 0.00 H ATOM 1463 H ALA A 122 24.629 -6.993 -19.703 1.00 0.00 H ATOM 1464 N THR A 123 27.322 -4.319 -18.613 1.00 15.92 N ATOM 1465 CA THR A 123 28.208 -3.559 -19.468 1.00 17.60 C ATOM 1466 C THR A 123 29.650 -3.583 -18.954 1.00 20.34 C ATOM 1467 O THR A 123 29.887 -3.476 -17.756 1.00 18.09 O ATOM 1468 CB THR A 123 27.701 -2.112 -19.579 1.00 21.01 C ATOM 1469 OG1 THR A 123 26.351 -2.126 -20.064 1.00 25.42 O ATOM 1470 CG2 THR A 123 28.541 -1.327 -20.535 1.00 20.94 C ATOM 1471 HA THR A 123 28.208 -4.021 -20.455 1.00 0.00 H ATOM 1472 HB THR A 123 27.755 -1.648 -18.594 1.00 0.00 H ATOM 1473 HG1 THR A 123 26.018 -1.196 -20.138 1.00 0.00 H ATOM 1474 HG23 THR A 123 29.571 -1.307 -20.180 1.00 0.00 H ATOM 1475 HG21 THR A 123 28.503 -1.795 -21.519 1.00 0.00 H ATOM 1476 HG22 THR A 123 28.158 -0.308 -20.601 1.00 0.00 H ATOM 1477 H THR A 123 27.381 -4.203 -17.581 1.00 0.00 H ATOM 1478 N GLU A 124 30.610 -3.737 -19.862 1.00 15.89 N ATOM 1479 CA GLU A 124 32.008 -3.482 -19.536 1.00 16.71 C ATOM 1480 C GLU A 124 32.523 -2.274 -20.327 1.00 18.71 C ATOM 1481 O GLU A 124 32.005 -1.962 -21.403 1.00 19.85 O ATOM 1482 CB GLU A 124 32.884 -4.714 -19.805 1.00 16.73 C ATOM 1483 CG GLU A 124 32.419 -5.994 -19.100 1.00 14.70 C ATOM 1484 CD GLU A 124 32.376 -5.861 -17.575 1.00 19.05 C ATOM 1485 OE1 GLU A 124 33.184 -5.085 -17.009 1.00 19.29 O ATOM 1486 OE2 GLU A 124 31.527 -6.535 -16.950 1.00 17.30 O ATOM 1487 HA GLU A 124 32.069 -3.261 -18.470 1.00 0.00 H ATOM 1488 HB2 GLU A 124 32.889 -4.900 -20.879 1.00 0.00 H ATOM 1489 HB3 GLU A 124 33.897 -4.491 -19.471 1.00 0.00 H ATOM 1490 HG2 GLU A 124 31.419 -6.241 -19.455 1.00 0.00 H ATOM 1491 HG3 GLU A 124 33.105 -6.801 -19.359 1.00 0.00 H ATOM 1492 H GLU A 124 30.358 -4.045 -20.823 1.00 0.00 H ATOM 1493 N GLN A 125 33.536 -1.602 -19.785 1.00 17.25 N ATOM 1494 CA GLN A 125 34.093 -0.398 -20.389 1.00 20.33 C ATOM 1495 C GLN A 125 35.588 -0.588 -20.585 1.00 19.19 C ATOM 1496 O GLN A 125 36.255 -1.261 -19.794 1.00 18.05 O ATOM 1497 CB GLN A 125 33.879 0.845 -19.495 1.00 19.90 C ATOM 1498 CG GLN A 125 32.431 1.282 -19.241 1.00 27.46 C ATOM 1499 CD GLN A 125 32.306 2.293 -18.078 1.00 29.84 C ATOM 1500 OE1 GLN A 125 33.279 2.935 -17.685 1.00 29.57 O ATOM 1501 NE2 GLN A 125 31.103 2.415 -17.521 1.00 32.49 N ATOM 1502 HA GLN A 125 33.584 -0.236 -21.339 1.00 0.00 H ATOM 1503 HB2 GLN A 125 34.334 0.636 -18.527 1.00 0.00 H ATOM 1504 HB3 GLN A 125 34.397 1.681 -19.965 1.00 0.00 H ATOM 1505 HG2 GLN A 125 32.042 1.744 -20.148 1.00 0.00 H ATOM 1506 HG3 GLN A 125 31.838 0.400 -19.001 1.00 0.00 H ATOM 1507 HE22 GLN A 125 30.304 1.855 -17.881 1.00 0.00 H ATOM 1508 HE21 GLN A 125 30.962 3.070 -16.726 1.00 0.00 H ATOM 1509 H GLN A 125 33.947 -1.950 -18.895 1.00 0.00 H ATOM 1510 N GLY A 126 36.129 0.041 -21.617 1.00 18.42 N ATOM 1511 CA GLY A 126 37.564 0.034 -21.795 1.00 21.01 C ATOM 1512 C GLY A 126 38.000 1.088 -22.779 1.00 21.34 C ATOM 1513 O GLY A 126 37.176 1.868 -23.251 1.00 21.66 O ATOM 1514 HA3 GLY A 126 37.871 -0.945 -22.163 1.00 0.00 H ATOM 1515 HA2 GLY A 126 38.042 0.226 -20.834 1.00 0.00 H ATOM 1516 H GLY A 126 35.522 0.540 -22.299 1.00 0.00 H ATOM 1517 N GLN A 127 39.296 1.103 -23.083 1.00 19.13 N ATOM 1518 CA GLN A 127 39.861 2.062 -24.016 1.00 20.28 C ATOM 1519 C GLN A 127 40.641 1.304 -25.105 1.00 21.82 C ATOM 1520 O GLN A 127 41.364 0.353 -24.808 1.00 19.71 O ATOM 1521 CB GLN A 127 40.765 3.065 -23.274 1.00 26.17 C ATOM 1522 CG GLN A 127 40.073 3.880 -22.147 1.00 26.26 C ATOM 1523 CD GLN A 127 39.923 3.116 -20.816 1.00 34.31 C ATOM 1524 OE1 GLN A 127 40.820 2.377 -20.391 1.00 36.81 O ATOM 1525 NE2 GLN A 127 38.781 3.301 -20.156 1.00 31.61 N ATOM 1526 HA GLN A 127 39.061 2.632 -24.489 1.00 0.00 H ATOM 1527 HB2 GLN A 127 41.590 2.509 -22.829 1.00 0.00 H ATOM 1528 HB3 GLN A 127 41.157 3.770 -24.007 1.00 0.00 H ATOM 1529 HG2 GLN A 127 40.663 4.777 -21.962 1.00 0.00 H ATOM 1530 HG3 GLN A 127 39.079 4.165 -22.492 1.00 0.00 H ATOM 1531 HE22 GLN A 127 38.051 3.930 -20.546 1.00 0.00 H ATOM 1532 HE21 GLN A 127 38.619 2.816 -19.250 1.00 0.00 H ATOM 1533 H GLN A 127 39.925 0.405 -22.638 1.00 0.00 H ATOM 1534 N ASP A 128 40.458 1.710 -26.363 1.00 21.64 N ATOM 1535 CA ASP A 128 41.220 1.164 -27.473 1.00 19.53 C ATOM 1536 C ASP A 128 41.870 2.329 -28.201 1.00 20.86 C ATOM 1537 O ASP A 128 41.230 3.363 -28.428 1.00 23.10 O ATOM 1538 CB ASP A 128 40.305 0.471 -28.477 1.00 19.66 C ATOM 1539 CG ASP A 128 39.999 -0.964 -28.129 1.00 19.59 C ATOM 1540 OD1 ASP A 128 40.585 -1.514 -27.174 1.00 16.56 O ATOM 1541 OD2 ASP A 128 39.156 -1.542 -28.845 1.00 18.21 O ATOM 1542 HA ASP A 128 41.945 0.448 -27.085 1.00 0.00 H ATOM 1543 HB2 ASP A 128 39.366 1.022 -28.524 1.00 0.00 H ATOM 1544 HB3 ASP A 128 40.787 0.493 -29.454 1.00 0.00 H ATOM 1545 H ASP A 128 39.745 2.443 -26.555 1.00 0.00 H ATOM 1546 N THR A 129 43.130 2.161 -28.575 1.00 22.78 N ATOM 1547 CA THR A 129 43.796 3.104 -29.463 1.00 22.40 C ATOM 1548 C THR A 129 44.038 2.465 -30.823 1.00 22.99 C ATOM 1549 O THR A 129 44.748 1.462 -30.930 1.00 21.26 O ATOM 1550 CB THR A 129 45.147 3.537 -28.910 1.00 26.42 C ATOM 1551 OG1 THR A 129 44.939 4.279 -27.707 1.00 29.99 O ATOM 1552 CG2 THR A 129 45.873 4.428 -29.933 1.00 30.84 C ATOM 1553 HA THR A 129 43.143 3.972 -29.551 1.00 0.00 H ATOM 1554 HB THR A 129 45.755 2.655 -28.708 1.00 0.00 H ATOM 1555 HG1 THR A 129 45.814 4.564 -27.341 1.00 0.00 H ATOM 1556 HG23 THR A 129 46.034 3.866 -30.853 1.00 0.00 H ATOM 1557 HG21 THR A 129 45.264 5.307 -30.145 1.00 0.00 H ATOM 1558 HG22 THR A 129 46.834 4.740 -29.524 1.00 0.00 H ATOM 1559 H THR A 129 43.657 1.335 -28.226 1.00 0.00 H ATOM 1560 N PHE A 130 43.455 3.053 -31.863 1.00 21.99 N ATOM 1561 CA PHE A 130 43.641 2.535 -33.213 1.00 22.45 C ATOM 1562 C PHE A 130 44.681 3.337 -33.973 1.00 25.80 C ATOM 1563 O PHE A 130 44.697 4.570 -33.912 1.00 27.16 O ATOM 1564 CB PHE A 130 42.320 2.553 -33.982 1.00 19.66 C ATOM 1565 CG PHE A 130 41.292 1.615 -33.429 1.00 19.73 C ATOM 1566 CD1 PHE A 130 41.216 0.300 -33.884 1.00 21.19 C ATOM 1567 CD2 PHE A 130 40.413 2.036 -32.444 1.00 20.03 C ATOM 1568 CE1 PHE A 130 40.267 -0.576 -33.383 1.00 17.66 C ATOM 1569 CE2 PHE A 130 39.467 1.169 -31.932 1.00 18.89 C ATOM 1570 CZ PHE A 130 39.397 -0.146 -32.403 1.00 19.80 C ATOM 1571 HA PHE A 130 43.993 1.507 -33.124 1.00 0.00 H ATOM 1572 HB2 PHE A 130 41.916 3.565 -33.950 1.00 0.00 H ATOM 1573 HB3 PHE A 130 42.519 2.275 -35.017 1.00 0.00 H ATOM 1574 HD2 PHE A 130 40.468 3.059 -32.070 1.00 0.00 H ATOM 1575 HE2 PHE A 130 38.776 1.510 -31.161 1.00 0.00 H ATOM 1576 HZ PHE A 130 38.654 -0.832 -31.995 1.00 0.00 H ATOM 1577 HE1 PHE A 130 40.208 -1.597 -33.760 1.00 0.00 H ATOM 1578 HD1 PHE A 130 41.915 -0.045 -34.646 1.00 0.00 H ATOM 1579 H PHE A 130 42.859 3.892 -31.712 1.00 0.00 H ATOM 1580 N THR A 131 45.520 2.629 -34.716 1.00 27.22 N ATOM 1581 CA THR A 131 46.531 3.248 -35.561 1.00 30.23 C ATOM 1582 C THR A 131 46.250 2.815 -36.993 1.00 25.49 C ATOM 1583 O THR A 131 45.922 1.659 -37.235 1.00 25.27 O ATOM 1584 CB THR A 131 47.948 2.805 -35.136 1.00 30.51 C ATOM 1585 OG1 THR A 131 48.219 3.293 -33.819 1.00 34.22 O ATOM 1586 CG2 THR A 131 48.999 3.343 -36.094 1.00 31.05 C ATOM 1587 HA THR A 131 46.489 4.333 -35.468 1.00 0.00 H ATOM 1588 HB THR A 131 47.989 1.716 -35.153 1.00 0.00 H ATOM 1589 HG1 THR A 131 47.552 2.924 -33.188 1.00 0.00 H ATOM 1590 HG23 THR A 131 48.796 2.973 -37.099 1.00 0.00 H ATOM 1591 HG21 THR A 131 48.966 4.433 -36.093 1.00 0.00 H ATOM 1592 HG22 THR A 131 49.986 3.008 -35.775 1.00 0.00 H ATOM 1593 H THR A 131 45.453 1.591 -34.694 1.00 0.00 H ATOM 1594 N LYS A 132 46.343 3.738 -37.942 1.00 31.25 N ATOM 1595 CA LYS A 132 46.020 3.406 -39.323 1.00 29.64 C ATOM 1596 C LYS A 132 47.166 2.674 -40.012 1.00 34.36 C ATOM 1597 O LYS A 132 48.332 3.043 -39.861 1.00 34.80 O ATOM 1598 CB LYS A 132 45.615 4.656 -40.125 1.00 32.02 C ATOM 1599 CG LYS A 132 44.993 4.333 -41.495 1.00 27.99 C ATOM 1600 CD LYS A 132 44.469 5.581 -42.224 1.00 28.13 C ATOM 1601 CE LYS A 132 43.805 5.184 -43.533 1.00 32.05 C ATOM 1602 NZ LYS A 132 43.129 6.326 -44.223 1.00 34.04 N ATOM 1603 HA LYS A 132 45.164 2.732 -39.293 1.00 0.00 H ATOM 1604 HB2 LYS A 132 44.888 5.220 -39.541 1.00 0.00 H ATOM 1605 HB3 LYS A 132 46.504 5.266 -40.285 1.00 0.00 H ATOM 1606 HG2 LYS A 132 45.751 3.859 -42.118 1.00 0.00 H ATOM 1607 HG3 LYS A 132 44.163 3.643 -41.346 1.00 0.00 H ATOM 1608 HD2 LYS A 132 43.742 6.090 -41.591 1.00 0.00 H ATOM 1609 HD3 LYS A 132 45.301 6.253 -42.432 1.00 0.00 H ATOM 1610 HE2 LYS A 132 43.061 4.416 -43.325 1.00 0.00 H ATOM 1611 HE3 LYS A 132 44.567 4.779 -44.199 1.00 0.00 H ATOM 1612 HZ1 LYS A 132 42.391 6.717 -43.603 1.00 0.00 H ATOM 1613 HZ2 LYS A 132 43.830 7.064 -44.437 1.00 0.00 H ATOM 1614 HZ3 LYS A 132 42.697 5.989 -45.107 1.00 0.00 H ATOM 1615 H LYS A 132 46.648 4.702 -37.699 1.00 0.00 H ATOM 1616 N VAL A 133 46.816 1.625 -40.752 1.00 32.95 N ATOM 1617 CA VAL A 133 47.758 0.920 -41.616 1.00 38.46 C ATOM 1618 C VAL A 133 48.232 1.843 -42.737 1.00 39.34 C ATOM 1619 O VAL A 133 47.415 2.482 -43.407 1.00 37.50 O ATOM 1620 CB VAL A 133 47.103 -0.335 -42.247 1.00 36.99 C ATOM 1621 CG1 VAL A 133 47.840 -0.765 -43.514 1.00 36.24 C ATOM 1622 CG2 VAL A 133 47.019 -1.485 -41.233 1.00 30.17 C ATOM 1623 HA VAL A 133 48.604 0.610 -41.003 1.00 0.00 H ATOM 1624 HB VAL A 133 46.085 -0.071 -42.532 1.00 0.00 H ATOM 1625 HG11 VAL A 133 47.812 0.046 -44.242 1.00 0.00 H ATOM 1626 HG12 VAL A 133 48.876 -0.999 -43.269 1.00 0.00 H ATOM 1627 HG13 VAL A 133 47.356 -1.648 -43.932 1.00 0.00 H ATOM 1628 HG21 VAL A 133 48.023 -1.746 -40.898 1.00 0.00 H ATOM 1629 HG22 VAL A 133 46.420 -1.171 -40.378 1.00 0.00 H ATOM 1630 HG23 VAL A 133 46.555 -2.351 -41.705 1.00 0.00 H ATOM 1631 H VAL A 133 45.831 1.294 -40.713 1.00 0.00 H ATOM 1632 N LYS A 134 49.549 1.912 -42.935 1.00 47.22 N ATOM 1633 CA LYS A 134 50.148 2.750 -43.984 1.00 47.59 C ATOM 1634 C LYS A 134 49.668 2.399 -45.397 1.00 47.11 C ATOM 1635 O LYS A 134 49.743 1.247 -45.830 1.00 48.49 O ATOM 1636 CB LYS A 134 51.679 2.680 -43.919 1.00 46.05 C ATOM 1637 HA LYS A 134 49.814 3.768 -43.784 1.00 0.00 H ATOM 1638 HB2 LYS A 134 52.017 3.035 -42.945 1.00 0.00 H ATOM 1639 HB3 LYS A 134 52.001 1.648 -44.062 1.00 0.00 H ATOM 1640 H LYS A 134 50.177 1.351 -42.324 1.00 0.00 H TER 1641 LYS A 134 HETATM 1642 ZN ZN A 1 21.645 -13.600 -26.991 1.00 22.64 ZN HETATM 1643 ZN ZN A 2 35.269 13.911 -50.449 1.00 20.16 ZN HETATM 1644 ZN ZN A 3 26.854 6.487 -47.659 1.00 45.67 ZN HETATM 1645 O HOH 4 27.443 -1.462 -25.880 1.00 17.88 O HETATM 1646 O HOH 5 34.166 -2.502 -17.066 1.00 19.50 O HETATM 1647 O HOH 6 30.398 -4.966 -14.882 1.00 25.23 O HETATM 1648 O HOH 7 23.838 9.296 -47.362 1.00 29.06 O HETATM 1649 O HOH 8 36.192 -11.182 -34.640 1.00 18.93 O HETATM 1650 O HOH 9 36.269 7.306 -48.457 1.00 21.86 O HETATM 1651 O HOH 10 39.873 -10.893 -22.228 1.00 16.40 O HETATM 1652 O HOH 11 41.044 -4.324 -26.950 1.00 22.49 O HETATM 1653 O HOH 12 22.995 -2.872 -16.563 1.00 22.01 O HETATM 1654 O HOH 13 28.311 -9.295 -15.154 1.00 26.53 O HETATM 1655 O HOH 14 29.447 6.023 -48.036 1.00 33.36 O HETATM 1656 O HOH 15 29.181 -12.028 -23.768 1.00 19.36 O HETATM 1657 O HOH 16 38.572 -3.185 -20.109 1.00 24.00 O HETATM 1658 O HOH 17 27.387 -5.806 -36.294 1.00 25.39 O HETATM 1659 O HOH 18 34.709 -15.931 -34.419 1.00 27.42 O HETATM 1660 O HOH 19 42.713 -15.916 -26.913 1.00 25.29 O HETATM 1661 O HOH 20 36.542 -16.849 -31.219 1.00 24.64 O HETATM 1662 O HOH 21 23.047 -9.721 -15.137 1.00 29.73 O HETATM 1663 O HOH 22 42.798 -9.149 -24.094 1.00 25.65 O HETATM 1664 O HOH 23 21.003 -5.811 -15.325 1.00 22.80 O HETATM 1665 O HOH 24 26.774 9.717 -50.078 1.00 34.74 O HETATM 1666 O HOH 25 25.715 14.135 -44.855 1.00 29.07 O HETATM 1667 O HOH 26 31.602 18.722 -37.647 1.00 25.88 O HETATM 1668 O HOH 27 27.732 -12.204 -15.625 1.00 26.73 O HETATM 1669 O HOH 28 42.730 -14.057 -32.589 1.00 26.73 O HETATM 1670 O HOH 29 20.795 -11.891 -18.681 1.00 27.52 O HETATM 1671 O HOH 30 40.826 -2.308 -24.301 1.00 25.44 O HETATM 1672 O HOH 31 30.649 2.880 -14.612 1.00 28.36 O HETATM 1673 O HOH 32 47.518 1.152 -31.690 1.00 35.44 O HETATM 1674 O HOH 33 39.769 0.896 -11.843 1.00 22.24 O HETATM 1675 O HOH 34 38.910 1.793 -14.018 1.00 29.09 O HETATM 1676 O HOH 35 45.068 -9.152 -27.287 1.00 28.05 O HETATM 1677 O HOH 36 28.175 -19.171 -31.361 1.00 23.77 O HETATM 1678 O HOH 37 37.205 0.864 -16.173 1.00 29.68 O HETATM 1679 O HOH 38 27.267 -8.453 -36.834 1.00 29.76 O HETATM 1680 O HOH 39 30.668 4.258 -25.920 1.00 31.48 O HETATM 1681 O HOH 40 44.764 15.865 -35.733 1.00 37.87 O HETATM 1682 O HOH 41 24.274 -19.068 -28.825 1.00 31.70 O HETATM 1683 O HOH 42 44.711 2.087 -44.483 1.00 31.64 O HETATM 1684 O HOH 43 37.689 -1.387 -17.588 1.00 29.59 O HETATM 1685 O HOH 44 44.279 -7.332 -25.534 1.00 31.98 O HETATM 1686 O HOH 45 35.682 9.162 -26.077 1.00 32.19 O HETATM 1687 O HOH 46 25.206 -1.656 -16.882 1.00 27.00 O HETATM 1688 O HOH 47 36.501 -2.937 -16.144 1.00 27.02 O HETATM 1689 O HOH 48 31.420 -18.041 -28.069 1.00 27.37 O HETATM 1690 O HOH 49 19.678 -16.363 -16.093 1.00 31.92 O HETATM 1691 O HOH 50 23.563 -6.718 -27.527 1.00 23.88 O HETATM 1692 O HOH 51 49.007 5.604 -39.253 1.00 40.89 O HETATM 1693 O HOH 52 31.779 5.567 -24.583 1.00 35.65 O HETATM 1694 O HOH 53 26.603 -12.285 -23.286 1.00 25.44 O HETATM 1695 O HOH 54 37.309 -16.820 -28.762 1.00 26.58 O HETATM 1696 O HOH 55 24.708 -0.961 -22.312 1.00 32.51 O HETATM 1697 O HOH 56 36.279 14.941 -40.305 1.00 31.91 O HETATM 1698 O HOH 57 37.945 -18.065 -33.525 1.00 36.11 O HETATM 1699 O HOH 58 23.952 0.991 -25.866 1.00 36.91 O HETATM 1700 O HOH 59 45.094 -14.357 -33.625 1.00 33.44 O HETATM 1701 O HOH 60 20.949 -9.971 -26.329 1.00 27.49 O HETATM 1702 O HOH 61 44.079 -3.442 -24.222 1.00 33.91 O HETATM 1703 O HOH 62 24.519 8.120 -32.225 1.00 34.43 O HETATM 1704 O HOH 63 44.513 1.253 -23.738 1.00 36.48 O HETATM 1705 O HOH 64 34.326 16.844 -45.983 1.00 27.33 O HETATM 1706 O HOH 65 23.552 -10.181 -12.681 1.00 29.10 O HETATM 1707 O HOH 66 35.088 -1.495 -45.941 1.00 34.67 O HETATM 1708 O HOH 67 25.622 6.329 -49.753 1.00 33.08 O HETATM 1709 O HOH 68 38.919 -6.185 -41.018 1.00 32.59 O HETATM 1710 O HOH 69 38.782 0.447 -46.412 1.00 36.10 O HETATM 1711 O HOH 70 46.855 -13.811 -22.913 1.00 38.48 O HETATM 1712 O HOH 71 29.168 9.324 -49.064 1.00 29.43 O HETATM 1713 O HOH 72 39.964 -13.574 -40.643 1.00 35.18 O HETATM 1714 O HOH 73 50.422 -2.849 -29.083 1.00 42.19 O HETATM 1715 O HOH 74 45.550 -15.725 -23.071 1.00 36.98 O HETATM 1716 O HOH 75 26.233 -19.243 -25.798 1.00 33.42 O HETATM 1717 C11 BTN A 76 32.624 -10.661 -26.608 1.00 0.03 C HETATM 1718 O11 BTN A 76 31.502 -10.500 -26.093 1.00 -0.57 O HETATM 1719 O12 BTN A 76 33.567 -11.168 -25.981 1.00 -0.57 O HETATM 1720 C10 BTN A 76 32.830 -10.246 -28.064 1.00 0.00 C HETATM 1721 C9 BTN A 76 34.260 -9.752 -28.322 1.00 -0.04 C HETATM 1722 C8 BTN A 76 34.498 -8.341 -27.785 1.00 -0.05 C HETATM 1723 C7 BTN A 76 35.939 -7.886 -28.013 1.00 -0.04 C HETATM 1724 C2 BTN A 76 36.190 -6.590 -27.246 1.00 0.03 C HETATM 1725 S1 BTN A 76 35.291 -5.207 -27.897 1.00 -0.15 S HETATM 1726 C6 BTN A 76 36.290 -4.011 -27.088 1.00 0.02 C HETATM 1727 C5 BTN A 76 37.699 -4.610 -27.096 1.00 0.07 C HETATM 1728 N1 BTN A 76 38.413 -4.122 -28.261 1.00 -0.27 N HETATM 1729 C3 BTN A 76 38.716 -5.197 -29.178 1.00 0.26 C HETATM 1730 O3 BTN A 76 39.263 -5.064 -30.283 1.00 -0.40 O HETATM 1731 N2 BTN A 76 38.268 -6.431 -28.563 1.00 -0.27 N HETATM 1732 C4 BTN A 76 37.650 -6.143 -27.270 1.00 0.08 C HETATM 1733 H15 BTN A 76 38.206 -6.644 -26.464 1.00 0.06 H HETATM 1734 H14 BTN A 76 38.367 -7.342 -28.963 1.00 0.18 H HETATM 1735 H13 BTN A 76 38.663 -3.165 -28.410 1.00 0.18 H HETATM 1736 H12 BTN A 76 38.225 -4.341 -26.168 1.00 0.06 H HETATM 1737 H10 BTN A 76 35.943 -3.850 -26.057 1.00 0.04 H HETATM 1738 H11 BTN A 76 36.271 -3.057 -27.635 1.00 0.04 H HETATM 1739 H9 BTN A 76 35.883 -6.761 -26.203 1.00 0.04 H HETATM 1740 H7 BTN A 76 36.104 -7.714 -29.087 1.00 0.03 H HETATM 1741 H8 BTN A 76 36.630 -8.664 -27.655 1.00 0.03 H HETATM 1742 H5 BTN A 76 34.287 -8.330 -26.706 1.00 0.03 H HETATM 1743 H6 BTN A 76 33.819 -7.645 -28.299 1.00 0.03 H HETATM 1744 H3 BTN A 76 34.443 -9.752 -29.407 1.00 0.03 H HETATM 1745 H4 BTN A 76 34.965 -10.440 -27.831 1.00 0.03 H HETATM 1746 H1 BTN A 76 32.125 -9.437 -28.306 1.00 0.04 H HETATM 1747 H2 BTN A 76 32.631 -11.112 -28.712 1.00 0.04 H CONECT 1 7 8 9 1643 CONECT 1 2 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 27 26 1643 CONECT 28 26 1643 CONECT 323 321 1644 CONECT 540 539 544 990 CONECT 990 540 989 994 CONECT 1002 1001 1004 1642 CONECT 1401 1399 1642 CONECT 1642 1002 1401 CONECT 1643 1 27 28 CONECT 1644 323 CONECT 1717 1718 1719 1720 CONECT 1718 1717 CONECT 1719 1717 CONECT 1720 1717 1721 1746 1747 CONECT 1721 1720 1722 1744 1745 CONECT 1722 1721 1723 1742 1743 CONECT 1723 1722 1724 1740 1741 CONECT 1724 1723 1725 1732 1739 CONECT 1725 1724 1726 CONECT 1726 1725 1727 1737 1738 CONECT 1727 1726 1728 1732 1736 CONECT 1728 1727 1729 1735 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 1732 1734 CONECT 1732 1724 1727 1731 1733 CONECT 1733 1732 CONECT 1734 1731 CONECT 1735 1728 CONECT 1736 1727 CONECT 1737 1726 CONECT 1738 1726 CONECT 1739 1724 CONECT 1740 1723 CONECT 1741 1723 CONECT 1742 1722 CONECT 1743 1722 CONECT 1744 1721 CONECT 1745 1721 CONECT 1746 1720 CONECT 1747 1720 MASTER 0 0 0 0 0 0 0 0 1746 1 46 9 END
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Entry Information
PDB ID
4jnj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Streptavidin/Rhizavidin Hybrid
Ligand Name
BTN
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.85nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Proteins Vol. 81: pp. 1621-1633
Ligand Properties
Formula
C
1
0
H
1
6
N
2
O
3
S
Molecular Weight
244.311
Exact Mass
244.088
No. of atoms
32
No. of bonds
33
Polar Surface Area
103.73
LOGP Value
1.78 (
Computed with XLOGP3
)
1.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
InChI String
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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