Browse entries in the PDBbind-CN Database
HEADER 1C7E_COMPLEX COMPND 1C7E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 147 PRO LYS ALA LEU ILE VAL TYR GLY SER THR THR GLY ASN SEQRES 2 A 147 THR GLU TYR THR ALA GLU THR ILE ALA ARG GLU LEU ALA SEQRES 3 A 147 ASP ALA GLY TYR GLU VAL ASP SER ARG ASP ALA ALA SER SEQRES 4 A 147 VAL GLU ALA GLY GLY LEU PHE GLU GLY PHE ASP LEU VAL SEQRES 5 A 147 LEU LEU GLY CYS SER THR TRP GLY ASP ASP SER ILE GLU SEQRES 6 A 147 LEU GLN ASP ASP PHE ILE PRO LEU PHE ASP SER LEU GLU SEQRES 7 A 147 GLU THR GLY ALA GLN GLY ARG LYS VAL ALA CYS PHE GLY SEQRES 8 A 147 CYS GLY GLU SER SER TYR GLU TYR PHE CYS GLY ALA VAL SEQRES 9 A 147 ASP ALA ILE GLU GLU LYS LEU LYS ASN LEU GLY ALA GLU SEQRES 10 A 147 ILE VAL GLN ASP GLY LEU ARG ILE ASP GLY ASP PRO ARG SEQRES 11 A 147 ALA ALA ARG ASP ASP ILE VAL GLY TRP ALA HIS ASP VAL SEQRES 12 A 147 ARG GLY ALA ILE HET NON A 179 52 ATOM 1 N PRO A 2 40.165 -2.754 -3.616 1.00 58.46 N ATOM 2 CA PRO A 2 39.592 -2.051 -2.432 1.00 57.04 C ATOM 3 C PRO A 2 38.745 -2.971 -1.543 1.00 54.20 C ATOM 4 O PRO A 2 38.389 -4.058 -1.966 1.00 46.87 O ATOM 5 CB PRO A 2 38.633 -0.985 -2.935 1.00 54.72 C ATOM 6 CG PRO A 2 38.568 -1.227 -4.407 1.00 58.33 C ATOM 7 CD PRO A 2 39.711 -2.106 -4.841 1.00 56.47 C ATOM 8 HA PRO A 2 40.433 -1.662 -1.858 1.00 0.00 H ATOM 9 HD3 PRO A 2 39.373 -2.847 -5.566 1.00 0.00 H ATOM 10 HD2 PRO A 2 40.511 -1.509 -5.280 1.00 0.00 H ATOM 11 HG3 PRO A 2 38.627 -0.274 -4.932 1.00 0.00 H ATOM 12 HG2 PRO A 2 37.625 -1.716 -4.650 1.00 0.00 H ATOM 13 HB2 PRO A 2 37.650 -1.101 -2.479 1.00 0.00 H ATOM 14 HB3 PRO A 2 39.016 0.013 -2.722 1.00 0.00 H ATOM 15 N LYS A 3 38.372 -2.402 -0.401 1.00 45.41 N ATOM 16 CA LYS A 3 37.470 -3.146 0.493 1.00 45.41 C ATOM 17 C LYS A 3 36.124 -2.445 0.559 1.00 47.73 C ATOM 18 O LYS A 3 36.078 -1.253 0.813 1.00 43.98 O ATOM 19 CB LYS A 3 38.272 -3.194 1.750 1.00 45.14 C ATOM 20 CG LYS A 3 38.004 -3.804 3.076 1.00 59.73 C ATOM 21 CD LYS A 3 39.272 -4.624 3.358 1.00 51.89 C ATOM 22 CE LYS A 3 39.186 -5.451 4.622 1.00 67.86 C ATOM 23 NZ LYS A 3 40.324 -6.443 4.676 1.00 76.48 N ATOM 24 HA LYS A 3 37.185 -4.154 0.192 1.00 0.00 H ATOM 25 HB2 LYS A 3 39.208 -3.658 1.439 1.00 0.00 H ATOM 26 HB3 LYS A 3 38.448 -2.144 1.982 1.00 0.00 H ATOM 27 HG2 LYS A 3 37.859 -3.036 3.836 1.00 0.00 H ATOM 28 HG3 LYS A 3 37.125 -4.447 3.039 1.00 0.00 H ATOM 29 HD2 LYS A 3 39.443 -5.296 2.517 1.00 0.00 H ATOM 30 HD3 LYS A 3 40.114 -3.938 3.451 1.00 0.00 H ATOM 31 HE2 LYS A 3 38.238 -5.989 4.637 1.00 0.00 H ATOM 32 HE3 LYS A 3 39.241 -4.792 5.488 1.00 0.00 H ATOM 33 HZ1 LYS A 3 40.271 -7.075 3.851 1.00 0.00 H ATOM 34 HZ2 LYS A 3 41.229 -5.931 4.665 1.00 0.00 H ATOM 35 HZ3 LYS A 3 40.252 -7.004 5.549 1.00 0.00 H ATOM 36 H LYS A 3 38.710 -1.452 -0.145 1.00 0.00 H ATOM 37 N ALA A 4 35.023 -3.100 0.248 1.00 44.14 N ATOM 38 CA ALA A 4 33.656 -2.575 0.327 1.00 40.19 C ATOM 39 C ALA A 4 32.894 -3.380 1.360 1.00 38.47 C ATOM 40 O ALA A 4 33.013 -4.619 1.426 1.00 42.36 O ATOM 41 CB ALA A 4 32.985 -2.704 -1.031 1.00 44.95 C ATOM 42 HA ALA A 4 33.669 -1.523 0.613 1.00 0.00 H ATOM 43 HB1 ALA A 4 33.551 -2.137 -1.770 1.00 0.00 H ATOM 44 HB2 ALA A 4 32.956 -3.754 -1.322 1.00 0.00 H ATOM 45 HB3 ALA A 4 31.969 -2.314 -0.971 1.00 0.00 H ATOM 46 H ALA A 4 35.134 -4.079 -0.084 1.00 0.00 H ATOM 47 N LEU A 5 32.134 -2.862 2.253 1.00 34.25 N ATOM 48 CA LEU A 5 31.294 -3.245 3.295 1.00 38.20 C ATOM 49 C LEU A 5 29.795 -3.062 2.896 1.00 43.60 C ATOM 50 O LEU A 5 29.363 -1.905 2.782 1.00 42.64 O ATOM 51 CB LEU A 5 31.388 -2.588 4.690 1.00 31.63 C ATOM 52 CG LEU A 5 30.312 -3.019 5.692 1.00 39.54 C ATOM 53 CD1 LEU A 5 30.574 -4.407 6.274 1.00 42.64 C ATOM 54 CD2 LEU A 5 30.163 -2.081 6.896 1.00 34.85 C ATOM 55 HA LEU A 5 31.662 -4.263 3.421 1.00 0.00 H ATOM 56 HB2 LEU A 5 32.361 -2.835 5.114 1.00 0.00 H ATOM 57 HB3 LEU A 5 31.314 -1.508 4.560 1.00 0.00 H ATOM 58 HG LEU A 5 29.402 -3.001 5.092 1.00 0.00 H ATOM 59 HD21 LEU A 5 31.107 -2.036 7.439 1.00 0.00 H ATOM 60 HD22 LEU A 5 29.895 -1.084 6.547 1.00 0.00 H ATOM 61 HD23 LEU A 5 29.381 -2.459 7.555 1.00 0.00 H ATOM 62 HD11 LEU A 5 30.594 -5.140 5.467 1.00 0.00 H ATOM 63 HD12 LEU A 5 31.533 -4.408 6.791 1.00 0.00 H ATOM 64 HD13 LEU A 5 29.781 -4.660 6.977 1.00 0.00 H ATOM 65 H LEU A 5 32.150 -1.825 2.174 1.00 0.00 H ATOM 66 N ILE A 6 29.103 -4.233 2.784 1.00 40.88 N ATOM 67 CA ILE A 6 27.655 -4.072 2.514 1.00 38.50 C ATOM 68 C ILE A 6 26.896 -4.491 3.758 1.00 40.38 C ATOM 69 O ILE A 6 27.188 -5.517 4.401 1.00 38.06 O ATOM 70 CB ILE A 6 27.157 -4.908 1.330 1.00 47.36 C ATOM 71 CG1 ILE A 6 27.853 -4.604 0.027 1.00 36.56 C ATOM 72 CG2 ILE A 6 25.659 -4.819 1.082 1.00 37.58 C ATOM 73 CD1 ILE A 6 27.895 -5.679 -1.018 1.00 36.76 C ATOM 74 HA ILE A 6 27.485 -3.027 2.256 1.00 0.00 H ATOM 75 HB ILE A 6 27.406 -5.920 1.650 1.00 0.00 H ATOM 76 HG12 ILE A 6 27.352 -3.742 -0.414 1.00 0.00 H ATOM 77 HG13 ILE A 6 28.884 -4.342 0.264 1.00 0.00 H ATOM 78 HD11 ILE A 6 28.410 -6.552 -0.618 1.00 0.00 H ATOM 79 HD12 ILE A 6 26.877 -5.952 -1.297 1.00 0.00 H ATOM 80 HD13 ILE A 6 28.427 -5.311 -1.895 1.00 0.00 H ATOM 81 HG21 ILE A 6 25.124 -5.169 1.965 1.00 0.00 H ATOM 82 HG22 ILE A 6 25.387 -3.784 0.877 1.00 0.00 H ATOM 83 HG23 ILE A 6 25.396 -5.441 0.227 1.00 0.00 H ATOM 84 H ILE A 6 29.556 -5.164 2.880 1.00 0.00 H ATOM 85 N VAL A 7 25.953 -3.692 4.279 1.00 34.73 N ATOM 86 CA VAL A 7 25.171 -3.991 5.437 1.00 34.07 C ATOM 87 C VAL A 7 23.690 -3.809 5.063 1.00 41.84 C ATOM 88 O VAL A 7 23.323 -2.720 4.599 1.00 42.16 O ATOM 89 CB VAL A 7 25.373 -2.987 6.600 1.00 30.09 C ATOM 90 CG1 VAL A 7 24.708 -3.423 7.871 1.00 26.77 C ATOM 91 CG2 VAL A 7 26.853 -2.727 6.771 1.00 44.75 C ATOM 92 HA VAL A 7 25.464 -4.994 5.748 1.00 0.00 H ATOM 93 HB VAL A 7 24.879 -2.050 6.343 1.00 0.00 H ATOM 94 HG11 VAL A 7 23.636 -3.525 7.702 1.00 0.00 H ATOM 95 HG12 VAL A 7 25.120 -4.382 8.185 1.00 0.00 H ATOM 96 HG13 VAL A 7 24.886 -2.678 8.647 1.00 0.00 H ATOM 97 HG21 VAL A 7 27.361 -3.664 7.000 1.00 0.00 H ATOM 98 HG22 VAL A 7 27.256 -2.309 5.848 1.00 0.00 H ATOM 99 HG23 VAL A 7 27.005 -2.021 7.588 1.00 0.00 H ATOM 100 H VAL A 7 25.777 -2.784 3.803 1.00 0.00 H ATOM 101 N TYR A 8 22.826 -4.751 5.389 1.00 42.28 N ATOM 102 CA TYR A 8 21.433 -4.644 4.980 1.00 40.03 C ATOM 103 C TYR A 8 20.501 -5.073 6.093 1.00 39.64 C ATOM 104 O TYR A 8 20.871 -5.888 6.916 1.00 44.95 O ATOM 105 CB TYR A 8 21.177 -5.538 3.776 1.00 43.43 C ATOM 106 CG TYR A 8 21.475 -7.019 4.071 1.00 48.62 C ATOM 107 CD1 TYR A 8 20.569 -7.951 4.583 1.00 47.66 C ATOM 108 CD2 TYR A 8 22.764 -7.438 3.797 1.00 43.55 C ATOM 109 CE1 TYR A 8 20.930 -9.269 4.806 1.00 46.77 C ATOM 110 CE2 TYR A 8 23.166 -8.739 4.019 1.00 47.95 C ATOM 111 CZ TYR A 8 22.230 -9.648 4.521 1.00 50.50 C ATOM 112 OH TYR A 8 22.745 -10.899 4.678 1.00 44.15 O ATOM 113 HA TYR A 8 21.242 -3.600 4.732 1.00 0.00 H ATOM 114 HB3 TYR A 8 21.813 -5.210 2.954 1.00 0.00 H ATOM 115 HB2 TYR A 8 20.131 -5.442 3.485 1.00 0.00 H ATOM 116 HD2 TYR A 8 23.481 -6.722 3.395 1.00 0.00 H ATOM 117 HE2 TYR A 8 24.189 -9.051 3.808 1.00 0.00 H ATOM 118 HE1 TYR A 8 20.210 -9.988 5.195 1.00 0.00 H ATOM 119 HD1 TYR A 8 19.552 -7.633 4.813 1.00 0.00 H ATOM 120 HH TYR A 8 22.044 -11.501 5.034 1.00 0.00 H ATOM 121 H TYR A 8 23.142 -5.574 5.941 1.00 0.00 H ATOM 122 N GLY A 9 19.349 -4.473 6.120 1.00 35.56 N ATOM 123 CA GLY A 9 18.258 -4.823 7.019 1.00 37.67 C ATOM 124 C GLY A 9 17.215 -5.319 5.924 1.00 44.26 C ATOM 125 O GLY A 9 16.846 -4.602 4.953 1.00 34.97 O ATOM 126 HA3 GLY A 9 17.891 -3.962 7.578 1.00 0.00 H ATOM 127 HA2 GLY A 9 18.534 -5.615 7.715 1.00 0.00 H ATOM 128 H GLY A 9 19.195 -3.689 5.454 1.00 0.00 H ATOM 129 N SER A 10 16.839 -6.570 6.070 1.00 38.23 N ATOM 130 CA SER A 10 15.852 -7.185 5.135 1.00 34.46 C ATOM 131 C SER A 10 14.970 -8.173 5.914 1.00 37.92 C ATOM 132 O SER A 10 15.551 -8.969 6.713 1.00 32.37 O ATOM 133 CB SER A 10 16.676 -8.067 4.236 1.00 36.25 C ATOM 134 OG SER A 10 15.931 -8.577 3.151 1.00 34.85 O ATOM 135 HA SER A 10 15.258 -6.421 4.633 1.00 0.00 H ATOM 136 HB2 SER A 10 17.059 -8.903 4.821 1.00 0.00 H ATOM 137 HB3 SER A 10 17.511 -7.486 3.845 1.00 0.00 H ATOM 138 HG SER A 10 15.584 -7.825 2.608 1.00 0.00 H ATOM 139 H SER A 10 17.234 -7.138 6.846 1.00 0.00 H ATOM 140 N THR A 11 13.663 -8.117 5.844 1.00 36.05 N ATOM 141 CA THR A 11 12.823 -9.043 6.556 1.00 40.00 C ATOM 142 C THR A 11 12.207 -10.198 5.725 1.00 40.61 C ATOM 143 O THR A 11 12.180 -11.303 6.310 1.00 38.58 O ATOM 144 CB THR A 11 11.620 -8.369 7.189 1.00 46.84 C ATOM 145 OG1 THR A 11 12.162 -7.263 7.939 1.00 39.69 O ATOM 146 CG2 THR A 11 10.913 -9.497 7.977 1.00 33.46 C ATOM 147 HA THR A 11 13.535 -9.446 7.277 1.00 0.00 H ATOM 148 HB THR A 11 10.862 -7.936 6.537 1.00 0.00 H ATOM 149 HG1 THR A 11 12.791 -7.606 8.623 1.00 0.00 H ATOM 150 HG23 THR A 11 10.558 -10.257 7.281 1.00 0.00 H ATOM 151 HG21 THR A 11 11.617 -9.945 8.679 1.00 0.00 H ATOM 152 HG22 THR A 11 10.067 -9.081 8.525 1.00 0.00 H ATOM 153 H THR A 11 13.220 -7.382 5.257 1.00 0.00 H ATOM 154 N THR A 12 11.883 -10.029 4.473 1.00 34.57 N ATOM 155 CA THR A 12 11.476 -11.125 3.596 1.00 39.11 C ATOM 156 C THR A 12 12.519 -11.572 2.574 1.00 38.82 C ATOM 157 O THR A 12 12.261 -12.109 1.505 1.00 42.64 O ATOM 158 CB THR A 12 10.168 -10.759 2.851 1.00 33.05 C ATOM 159 OG1 THR A 12 10.431 -9.816 1.806 1.00 42.60 O ATOM 160 CG2 THR A 12 9.085 -10.153 3.730 1.00 36.90 C ATOM 161 HA THR A 12 11.333 -11.972 4.268 1.00 0.00 H ATOM 162 HB THR A 12 9.801 -11.712 2.469 1.00 0.00 H ATOM 163 HG1 THR A 12 11.069 -10.210 1.160 1.00 0.00 H ATOM 164 HG23 THR A 12 8.852 -10.840 4.543 1.00 0.00 H ATOM 165 HG21 THR A 12 9.440 -9.208 4.142 1.00 0.00 H ATOM 166 HG22 THR A 12 8.190 -9.978 3.133 1.00 0.00 H ATOM 167 H THR A 12 11.916 -9.067 4.079 1.00 0.00 H ATOM 168 N GLY A 13 13.745 -11.081 2.750 1.00 38.94 N ATOM 169 CA GLY A 13 14.917 -11.273 1.961 1.00 30.93 C ATOM 170 C GLY A 13 15.182 -10.697 0.610 1.00 35.34 C ATOM 171 O GLY A 13 16.121 -10.873 -0.187 1.00 38.69 O ATOM 172 HA3 GLY A 13 14.997 -12.352 1.830 1.00 0.00 H ATOM 173 HA2 GLY A 13 15.739 -10.923 2.585 1.00 0.00 H ATOM 174 H GLY A 13 13.864 -10.470 3.583 1.00 0.00 H ATOM 175 N ASN A 14 14.332 -9.703 0.257 1.00 34.07 N ATOM 176 CA ASN A 14 14.474 -8.931 -0.989 1.00 34.89 C ATOM 177 C ASN A 14 15.707 -8.046 -1.087 1.00 30.75 C ATOM 178 O ASN A 14 16.571 -7.938 -1.988 1.00 32.33 O ATOM 179 CB ASN A 14 13.194 -8.048 -1.053 1.00 24.97 C ATOM 180 CG ASN A 14 12.003 -8.941 -1.491 1.00 53.66 C ATOM 181 OD1 ASN A 14 12.087 -9.997 -2.144 1.00 38.86 O ATOM 182 ND2 ASN A 14 10.795 -8.538 -1.104 1.00 28.86 N ATOM 183 HA ASN A 14 14.595 -9.630 -1.817 1.00 0.00 H ATOM 184 HB2 ASN A 14 12.992 -7.620 -0.071 1.00 0.00 H ATOM 185 HB3 ASN A 14 13.337 -7.244 -1.775 1.00 0.00 H ATOM 186 HD22 ASN A 14 10.690 -7.660 -0.557 1.00 0.00 H ATOM 187 HD21 ASN A 14 9.956 -9.101 -1.349 1.00 0.00 H ATOM 188 H ASN A 14 13.543 -9.475 0.895 1.00 0.00 H ATOM 189 N THR A 15 15.855 -7.201 -0.069 1.00 28.93 N ATOM 190 CA THR A 15 17.063 -6.303 0.024 1.00 32.09 C ATOM 191 C THR A 15 18.348 -7.074 0.234 1.00 38.01 C ATOM 192 O THR A 15 19.453 -6.755 -0.234 1.00 42.37 O ATOM 193 CB THR A 15 16.875 -5.278 1.122 1.00 45.49 C ATOM 194 OG1 THR A 15 15.591 -4.625 0.952 1.00 34.92 O ATOM 195 CG2 THR A 15 17.822 -4.063 1.075 1.00 55.35 C ATOM 196 HA THR A 15 17.154 -5.792 -0.934 1.00 0.00 H ATOM 197 HB THR A 15 17.027 -5.862 2.030 1.00 0.00 H ATOM 198 HG1 THR A 15 14.869 -5.301 1.001 1.00 0.00 H ATOM 199 HG23 THR A 15 18.851 -4.402 1.192 1.00 0.00 H ATOM 200 HG21 THR A 15 17.712 -3.555 0.117 1.00 0.00 H ATOM 201 HG22 THR A 15 17.570 -3.376 1.883 1.00 0.00 H ATOM 202 H THR A 15 15.127 -7.160 0.673 1.00 0.00 H ATOM 203 N GLU A 16 18.195 -8.233 0.907 1.00 40.96 N ATOM 204 CA GLU A 16 19.285 -9.165 1.173 1.00 41.06 C ATOM 205 C GLU A 16 19.656 -9.732 -0.182 1.00 41.02 C ATOM 206 O GLU A 16 20.842 -9.713 -0.587 1.00 38.05 O ATOM 207 CB GLU A 16 18.758 -10.081 2.267 1.00 51.10 C ATOM 208 CG GLU A 16 19.194 -11.489 2.154 1.00 48.10 C ATOM 209 CD GLU A 16 19.082 -12.452 3.317 1.00 56.86 C ATOM 210 OE1 GLU A 16 18.022 -12.577 3.972 1.00 54.91 O ATOM 211 OE2 GLU A 16 20.158 -13.049 3.518 1.00 41.84 O ATOM 212 HA GLU A 16 20.228 -8.790 1.570 1.00 0.00 H ATOM 213 HB2 GLU A 16 19.099 -9.695 3.228 1.00 0.00 H ATOM 214 HB3 GLU A 16 17.669 -10.058 2.234 1.00 0.00 H ATOM 215 HG2 GLU A 16 18.617 -11.924 1.338 1.00 0.00 H ATOM 216 HG3 GLU A 16 20.248 -11.463 1.878 1.00 0.00 H ATOM 217 H GLU A 16 17.246 -8.476 1.256 1.00 0.00 H ATOM 218 N TYR A 17 18.609 -10.048 -0.991 1.00 38.25 N ATOM 219 CA TYR A 17 18.854 -10.575 -2.313 1.00 34.97 C ATOM 220 C TYR A 17 19.548 -9.515 -3.134 1.00 36.88 C ATOM 221 O TYR A 17 20.438 -9.784 -3.945 1.00 36.79 O ATOM 222 CB TYR A 17 17.518 -11.056 -2.999 1.00 36.71 C ATOM 223 CG TYR A 17 17.699 -11.192 -4.488 1.00 34.63 C ATOM 224 CD1 TYR A 17 17.541 -10.065 -5.314 1.00 29.62 C ATOM 225 CD2 TYR A 17 18.061 -12.378 -5.107 1.00 36.82 C ATOM 226 CE1 TYR A 17 17.819 -10.123 -6.661 1.00 30.81 C ATOM 227 CE2 TYR A 17 18.336 -12.456 -6.466 1.00 33.97 C ATOM 228 CZ TYR A 17 18.094 -11.348 -7.245 1.00 37.22 C ATOM 229 OH TYR A 17 18.294 -11.316 -8.610 1.00 40.02 O ATOM 230 HA TYR A 17 19.496 -11.453 -2.240 1.00 0.00 H ATOM 231 HB3 TYR A 17 16.732 -10.328 -2.800 1.00 0.00 H ATOM 232 HB2 TYR A 17 17.231 -12.022 -2.584 1.00 0.00 H ATOM 233 HD2 TYR A 17 18.133 -13.284 -4.505 1.00 0.00 H ATOM 234 HE2 TYR A 17 18.733 -13.371 -6.904 1.00 0.00 H ATOM 235 HE1 TYR A 17 17.823 -9.214 -7.262 1.00 0.00 H ATOM 236 HD1 TYR A 17 17.192 -9.128 -4.880 1.00 0.00 H ATOM 237 HH TYR A 17 19.246 -11.504 -8.807 1.00 0.00 H ATOM 238 H TYR A 17 17.633 -9.910 -0.658 1.00 0.00 H ATOM 239 N THR A 18 19.028 -8.295 -2.940 1.00 37.15 N ATOM 240 CA THR A 18 19.641 -7.153 -3.677 1.00 39.89 C ATOM 241 C THR A 18 21.095 -6.891 -3.238 1.00 34.60 C ATOM 242 O THR A 18 21.988 -6.735 -4.104 1.00 30.82 O ATOM 243 CB THR A 18 18.809 -5.870 -3.469 1.00 35.68 C ATOM 244 OG1 THR A 18 17.384 -6.173 -3.650 1.00 31.09 O ATOM 245 CG2 THR A 18 19.249 -4.759 -4.372 1.00 34.93 C ATOM 246 HA THR A 18 19.649 -7.425 -4.733 1.00 0.00 H ATOM 247 HB THR A 18 18.972 -5.520 -2.450 1.00 0.00 H ATOM 248 HG1 THR A 18 17.107 -6.856 -2.990 1.00 0.00 H ATOM 249 HG23 THR A 18 20.309 -4.561 -4.212 1.00 0.00 H ATOM 250 HG21 THR A 18 19.085 -5.049 -5.410 1.00 0.00 H ATOM 251 HG22 THR A 18 18.672 -3.861 -4.149 1.00 0.00 H ATOM 252 H THR A 18 18.224 -8.150 -2.297 1.00 0.00 H ATOM 253 N ALA A 19 21.366 -7.002 -1.949 1.00 35.13 N ATOM 254 CA ALA A 19 22.765 -6.844 -1.458 1.00 38.42 C ATOM 255 C ALA A 19 23.689 -7.885 -2.028 1.00 42.47 C ATOM 256 O ALA A 19 24.798 -7.681 -2.598 1.00 46.19 O ATOM 257 CB ALA A 19 22.846 -6.839 0.048 1.00 27.36 C ATOM 258 HA ALA A 19 23.097 -5.869 -1.814 1.00 0.00 H ATOM 259 HB1 ALA A 19 22.255 -6.011 0.440 1.00 0.00 H ATOM 260 HB2 ALA A 19 22.456 -7.781 0.435 1.00 0.00 H ATOM 261 HB3 ALA A 19 23.885 -6.721 0.354 1.00 0.00 H ATOM 262 H ALA A 19 20.600 -7.200 -1.274 1.00 0.00 H ATOM 263 N GLU A 20 23.213 -9.123 -1.971 1.00 43.67 N ATOM 264 CA GLU A 20 24.038 -10.228 -2.538 1.00 41.57 C ATOM 265 C GLU A 20 24.368 -9.980 -3.977 1.00 40.14 C ATOM 266 O GLU A 20 25.518 -10.194 -4.446 1.00 41.92 O ATOM 267 CB GLU A 20 23.348 -11.581 -2.279 1.00 49.36 C ATOM 268 CG GLU A 20 23.603 -12.090 -0.858 1.00 37.74 C ATOM 269 CD GLU A 20 22.765 -13.282 -0.395 1.00 58.02 C ATOM 270 OE1 GLU A 20 21.754 -13.654 -1.053 1.00 61.10 O ATOM 271 OE2 GLU A 20 23.014 -13.899 0.677 1.00 60.31 O ATOM 272 HA GLU A 20 25.001 -10.263 -2.029 1.00 0.00 H ATOM 273 HB2 GLU A 20 22.274 -11.463 -2.424 1.00 0.00 H ATOM 274 HB3 GLU A 20 23.730 -12.314 -2.990 1.00 0.00 H ATOM 275 HG2 GLU A 20 24.652 -12.378 -0.793 1.00 0.00 H ATOM 276 HG3 GLU A 20 23.412 -11.265 -0.172 1.00 0.00 H ATOM 277 H GLU A 20 22.286 -9.318 -1.541 1.00 0.00 H ATOM 278 N THR A 21 23.444 -9.529 -4.813 1.00 37.39 N ATOM 279 CA THR A 21 23.773 -9.275 -6.221 1.00 33.44 C ATOM 280 C THR A 21 24.765 -8.114 -6.364 1.00 39.60 C ATOM 281 O THR A 21 25.592 -8.013 -7.283 1.00 38.23 O ATOM 282 CB THR A 21 22.479 -8.806 -6.917 1.00 43.72 C ATOM 283 OG1 THR A 21 21.447 -9.799 -6.757 1.00 58.86 O ATOM 284 CG2 THR A 21 22.694 -8.445 -8.370 1.00 38.70 C ATOM 285 HA THR A 21 24.199 -10.184 -6.645 1.00 0.00 H ATOM 286 HB THR A 21 22.156 -7.885 -6.431 1.00 0.00 H ATOM 287 HG1 THR A 21 21.268 -9.935 -5.793 1.00 0.00 H ATOM 288 HG23 THR A 21 23.480 -7.694 -8.444 1.00 0.00 H ATOM 289 HG21 THR A 21 22.988 -9.336 -8.925 1.00 0.00 H ATOM 290 HG22 THR A 21 21.768 -8.046 -8.785 1.00 0.00 H ATOM 291 H THR A 21 22.478 -9.354 -4.469 1.00 0.00 H ATOM 292 N ILE A 22 24.609 -7.105 -5.505 1.00 42.75 N ATOM 293 CA ILE A 22 25.543 -5.977 -5.488 1.00 42.89 C ATOM 294 C ILE A 22 26.901 -6.574 -5.037 1.00 41.22 C ATOM 295 O ILE A 22 27.858 -6.340 -5.742 1.00 41.67 O ATOM 296 CB ILE A 22 25.055 -4.848 -4.575 1.00 38.08 C ATOM 297 CG1 ILE A 22 23.889 -4.037 -5.168 1.00 34.75 C ATOM 298 CG2 ILE A 22 26.232 -3.886 -4.270 1.00 40.97 C ATOM 299 CD1 ILE A 22 23.007 -3.414 -4.099 1.00 29.13 C ATOM 300 HA ILE A 22 25.633 -5.509 -6.468 1.00 0.00 H ATOM 301 HB ILE A 22 24.684 -5.323 -3.667 1.00 0.00 H ATOM 302 HG12 ILE A 22 24.298 -3.241 -5.791 1.00 0.00 H ATOM 303 HG13 ILE A 22 23.279 -4.700 -5.782 1.00 0.00 H ATOM 304 HD11 ILE A 22 22.584 -4.201 -3.474 1.00 0.00 H ATOM 305 HD12 ILE A 22 23.604 -2.741 -3.484 1.00 0.00 H ATOM 306 HD13 ILE A 22 22.202 -2.854 -4.575 1.00 0.00 H ATOM 307 HG21 ILE A 22 27.030 -4.437 -3.773 1.00 0.00 H ATOM 308 HG22 ILE A 22 26.606 -3.464 -5.203 1.00 0.00 H ATOM 309 HG23 ILE A 22 25.884 -3.083 -3.620 1.00 0.00 H ATOM 310 H ILE A 22 23.812 -7.120 -4.837 1.00 0.00 H ATOM 311 N ALA A 23 26.986 -7.348 -3.971 1.00 38.69 N ATOM 312 CA ALA A 23 28.194 -7.959 -3.457 1.00 42.57 C ATOM 313 C ALA A 23 28.967 -8.705 -4.529 1.00 51.42 C ATOM 314 O ALA A 23 30.175 -8.534 -4.727 1.00 52.01 O ATOM 315 CB ALA A 23 27.843 -8.915 -2.323 1.00 36.61 C ATOM 316 HA ALA A 23 28.834 -7.156 -3.091 1.00 0.00 H ATOM 317 HB1 ALA A 23 27.348 -8.363 -1.524 1.00 0.00 H ATOM 318 HB2 ALA A 23 27.176 -9.691 -2.697 1.00 0.00 H ATOM 319 HB3 ALA A 23 28.755 -9.372 -1.940 1.00 0.00 H ATOM 320 H ALA A 23 26.104 -7.536 -3.453 1.00 0.00 H ATOM 321 N ARG A 24 28.211 -9.500 -5.308 1.00 51.96 N ATOM 322 CA ARG A 24 28.786 -10.212 -6.418 1.00 48.98 C ATOM 323 C ARG A 24 29.368 -9.322 -7.501 1.00 51.75 C ATOM 324 O ARG A 24 30.438 -9.600 -8.084 1.00 44.50 O ATOM 325 CB ARG A 24 27.645 -11.079 -7.049 1.00 44.28 C ATOM 326 CG ARG A 24 28.001 -11.500 -8.460 1.00 41.21 C ATOM 327 CD ARG A 24 28.659 -12.848 -8.542 1.00 79.69 C ATOM 328 NE ARG A 24 29.798 -13.281 -7.829 1.00 91.67 N ATOM 329 CZ ARG A 24 30.397 -13.586 -6.707 1.00106.86 C ATOM 330 NH1 ARG A 24 29.829 -13.501 -5.503 1.00108.07 N ATOM 331 NH2 ARG A 24 31.672 -14.019 -6.731 1.00110.83 N ATOM 332 HA ARG A 24 29.618 -10.801 -6.033 1.00 0.00 H ATOM 333 HB2 ARG A 24 27.494 -11.969 -6.438 1.00 0.00 H ATOM 334 HB3 ARG A 24 26.725 -10.495 -7.072 1.00 0.00 H ATOM 335 HG2 ARG A 24 27.086 -11.527 -9.052 1.00 0.00 H ATOM 336 HG3 ARG A 24 28.682 -10.759 -8.879 1.00 0.00 H ATOM 337 HD2 ARG A 24 28.922 -12.969 -9.593 1.00 0.00 H ATOM 338 HD3 ARG A 24 27.876 -13.560 -8.280 1.00 0.00 H ATOM 339 HE ARG A 24 30.521 -13.433 -8.561 1.00 0.00 H ATOM 340 HH12 ARG A 24 30.369 -13.762 -4.654 1.00 0.00 H ATOM 341 HH11 ARG A 24 28.846 -13.174 -5.414 1.00 0.00 H ATOM 342 HH22 ARG A 24 32.155 -14.263 -5.843 1.00 0.00 H ATOM 343 HH21 ARG A 24 32.174 -14.109 -7.638 1.00 0.00 H ATOM 344 H ARG A 24 27.196 -9.601 -5.105 1.00 0.00 H ATOM 345 N GLU A 25 28.635 -8.237 -7.859 1.00 51.45 N ATOM 346 CA GLU A 25 29.129 -7.379 -8.915 1.00 49.87 C ATOM 347 C GLU A 25 30.480 -6.735 -8.544 1.00 51.75 C ATOM 348 O GLU A 25 31.387 -6.668 -9.367 1.00 48.98 O ATOM 349 CB GLU A 25 28.200 -6.242 -9.312 1.00 58.04 C ATOM 350 CG GLU A 25 27.081 -6.554 -10.269 1.00 76.04 C ATOM 351 CD GLU A 25 27.583 -7.384 -11.450 1.00 81.68 C ATOM 352 OE1 GLU A 25 28.252 -6.772 -12.316 1.00 76.75 O ATOM 353 OE2 GLU A 25 27.300 -8.608 -11.437 1.00 83.25 O ATOM 354 HA GLU A 25 29.219 -8.061 -9.760 1.00 0.00 H ATOM 355 HB2 GLU A 25 27.749 -5.856 -8.398 1.00 0.00 H ATOM 356 HB3 GLU A 25 28.813 -5.465 -9.769 1.00 0.00 H ATOM 357 HG2 GLU A 25 26.308 -7.114 -9.743 1.00 0.00 H ATOM 358 HG3 GLU A 25 26.661 -5.620 -10.643 1.00 0.00 H ATOM 359 H GLU A 25 27.735 -8.026 -7.383 1.00 0.00 H ATOM 360 N LEU A 26 30.517 -6.235 -7.326 1.00 50.94 N ATOM 361 CA LEU A 26 31.691 -5.579 -6.777 1.00 55.18 C ATOM 362 C LEU A 26 32.768 -6.648 -6.693 1.00 57.32 C ATOM 363 O LEU A 26 33.881 -6.460 -7.161 1.00 62.22 O ATOM 364 CB LEU A 26 31.328 -5.044 -5.412 1.00 42.43 C ATOM 365 CG LEU A 26 31.167 -3.666 -4.854 1.00 52.74 C ATOM 366 CD1 LEU A 26 30.594 -2.663 -5.822 1.00 50.91 C ATOM 367 CD2 LEU A 26 30.290 -3.654 -3.593 1.00 37.06 C ATOM 368 HA LEU A 26 32.045 -4.745 -7.382 1.00 0.00 H ATOM 369 HB2 LEU A 26 30.361 -5.507 -5.213 1.00 0.00 H ATOM 370 HB3 LEU A 26 32.083 -5.488 -4.763 1.00 0.00 H ATOM 371 HG LEU A 26 32.188 -3.366 -4.619 1.00 0.00 H ATOM 372 HD21 LEU A 26 29.300 -4.041 -3.836 1.00 0.00 H ATOM 373 HD22 LEU A 26 30.748 -4.280 -2.827 1.00 0.00 H ATOM 374 HD23 LEU A 26 30.201 -2.632 -3.223 1.00 0.00 H ATOM 375 HD11 LEU A 26 31.250 -2.580 -6.688 1.00 0.00 H ATOM 376 HD12 LEU A 26 29.606 -2.993 -6.143 1.00 0.00 H ATOM 377 HD13 LEU A 26 30.513 -1.693 -5.332 1.00 0.00 H ATOM 378 H LEU A 26 29.668 -6.313 -6.731 1.00 0.00 H ATOM 379 N ALA A 27 32.503 -7.819 -6.142 1.00 60.16 N ATOM 380 CA ALA A 27 33.576 -8.831 -6.073 1.00 66.54 C ATOM 381 C ALA A 27 34.077 -9.273 -7.431 1.00 70.22 C ATOM 382 O ALA A 27 35.282 -9.526 -7.618 1.00 73.27 O ATOM 383 CB ALA A 27 33.128 -9.980 -5.190 1.00 59.17 C ATOM 384 HA ALA A 27 34.451 -8.370 -5.615 1.00 0.00 H ATOM 385 HB1 ALA A 27 32.915 -9.605 -4.189 1.00 0.00 H ATOM 386 HB2 ALA A 27 32.229 -10.430 -5.610 1.00 0.00 H ATOM 387 HB3 ALA A 27 33.920 -10.727 -5.139 1.00 0.00 H ATOM 388 H ALA A 27 31.556 -8.024 -5.764 1.00 0.00 H ATOM 389 N ASP A 28 33.246 -9.237 -8.477 1.00 71.58 N ATOM 390 CA ASP A 28 33.690 -9.603 -9.806 1.00 71.98 C ATOM 391 C ASP A 28 34.693 -8.588 -10.324 1.00 74.44 C ATOM 392 O ASP A 28 35.592 -8.920 -11.094 1.00 74.81 O ATOM 393 CB ASP A 28 32.529 -9.753 -10.783 1.00 71.59 C ATOM 394 CG ASP A 28 31.936 -11.153 -10.670 1.00 75.28 C ATOM 395 OD1 ASP A 28 32.119 -11.833 -9.630 1.00 67.41 O ATOM 396 OD2 ASP A 28 31.262 -11.554 -11.633 1.00 75.16 O ATOM 397 HA ASP A 28 34.172 -10.578 -9.730 1.00 0.00 H ATOM 398 HB2 ASP A 28 31.762 -9.015 -10.550 1.00 0.00 H ATOM 399 HB3 ASP A 28 32.888 -9.593 -11.800 1.00 0.00 H ATOM 400 H ASP A 28 32.260 -8.940 -8.334 1.00 0.00 H ATOM 401 N ALA A 29 34.528 -7.362 -9.862 1.00 75.14 N ATOM 402 CA ALA A 29 35.393 -6.256 -10.256 1.00 74.52 C ATOM 403 C ALA A 29 36.552 -6.025 -9.307 1.00 72.99 C ATOM 404 O ALA A 29 36.952 -4.902 -8.989 1.00 76.30 O ATOM 405 CB ALA A 29 34.419 -5.097 -10.422 1.00 70.87 C ATOM 406 HA ALA A 29 35.942 -6.438 -11.180 1.00 0.00 H ATOM 407 HB1 ALA A 29 33.685 -5.348 -11.188 1.00 0.00 H ATOM 408 HB2 ALA A 29 33.910 -4.913 -9.476 1.00 0.00 H ATOM 409 HB3 ALA A 29 34.967 -4.203 -10.721 1.00 0.00 H ATOM 410 H ALA A 29 33.753 -7.179 -9.193 1.00 0.00 H ATOM 411 N GLY A 30 37.083 -7.068 -8.674 1.00 71.16 N ATOM 412 CA GLY A 30 38.294 -7.010 -7.896 1.00 67.27 C ATOM 413 C GLY A 30 38.221 -6.673 -6.435 1.00 65.70 C ATOM 414 O GLY A 30 39.167 -6.983 -5.687 1.00 66.76 O ATOM 415 HA3 GLY A 30 38.935 -6.261 -8.362 1.00 0.00 H ATOM 416 HA2 GLY A 30 38.767 -7.989 -7.972 1.00 0.00 H ATOM 417 H GLY A 30 36.593 -7.983 -8.745 1.00 0.00 H ATOM 418 N TYR A 31 37.108 -6.139 -5.972 1.00 61.05 N ATOM 419 CA TYR A 31 36.893 -5.792 -4.584 1.00 56.87 C ATOM 420 C TYR A 31 36.857 -6.929 -3.587 1.00 57.84 C ATOM 421 O TYR A 31 36.318 -7.994 -3.936 1.00 59.13 O ATOM 422 CB TYR A 31 35.469 -5.218 -4.563 1.00 56.39 C ATOM 423 CG TYR A 31 35.360 -3.776 -4.904 1.00 54.98 C ATOM 424 CD1 TYR A 31 35.377 -3.303 -6.207 1.00 56.94 C ATOM 425 CD2 TYR A 31 35.244 -2.870 -3.853 1.00 58.19 C ATOM 426 CE1 TYR A 31 35.248 -1.939 -6.481 1.00 55.70 C ATOM 427 CE2 TYR A 31 35.113 -1.510 -4.106 1.00 59.29 C ATOM 428 CZ TYR A 31 35.098 -1.069 -5.422 1.00 57.69 C ATOM 429 OH TYR A 31 34.886 0.267 -5.618 1.00 52.15 O ATOM 430 HA TYR A 31 37.724 -5.152 -4.287 1.00 0.00 H ATOM 431 HB3 TYR A 31 35.064 -5.359 -3.561 1.00 0.00 H ATOM 432 HB2 TYR A 31 34.869 -5.780 -5.279 1.00 0.00 H ATOM 433 HD2 TYR A 31 35.256 -3.230 -2.824 1.00 0.00 H ATOM 434 HE2 TYR A 31 35.023 -0.800 -3.284 1.00 0.00 H ATOM 435 HE1 TYR A 31 35.266 -1.572 -7.507 1.00 0.00 H ATOM 436 HD1 TYR A 31 35.493 -4.007 -7.031 1.00 0.00 H ATOM 437 HH TYR A 31 34.896 0.463 -6.588 1.00 0.00 H ATOM 438 H TYR A 31 36.337 -5.956 -6.646 1.00 0.00 H ATOM 439 N GLU A 32 37.176 -6.630 -2.336 1.00 56.28 N ATOM 440 CA GLU A 32 37.027 -7.596 -1.236 1.00 61.84 C ATOM 441 C GLU A 32 35.690 -7.126 -0.653 1.00 62.30 C ATOM 442 O GLU A 32 35.622 -5.931 -0.341 1.00 66.33 O ATOM 443 CB GLU A 32 38.110 -7.566 -0.166 1.00 57.07 C ATOM 444 CG GLU A 32 39.468 -7.234 -0.740 1.00 83.73 C ATOM 445 CD GLU A 32 40.713 -7.380 0.089 1.00 94.54 C ATOM 446 OE1 GLU A 32 40.698 -7.962 1.193 1.00 98.31 O ATOM 447 OE2 GLU A 32 41.756 -6.893 -0.424 1.00 96.99 O ATOM 448 HA GLU A 32 37.090 -8.626 -1.588 1.00 0.00 H ATOM 449 HB2 GLU A 32 37.849 -6.813 0.578 1.00 0.00 H ATOM 450 HB3 GLU A 32 38.160 -8.545 0.312 1.00 0.00 H ATOM 451 HG2 GLU A 32 39.600 -7.872 -1.614 1.00 0.00 H ATOM 452 HG3 GLU A 32 39.425 -6.192 -1.056 1.00 0.00 H ATOM 453 H GLU A 32 37.544 -5.681 -2.125 1.00 0.00 H ATOM 454 N VAL A 33 34.697 -7.992 -0.637 1.00 61.74 N ATOM 455 CA VAL A 33 33.372 -7.611 -0.177 1.00 56.92 C ATOM 456 C VAL A 33 32.853 -8.434 0.989 1.00 52.58 C ATOM 457 O VAL A 33 32.389 -9.566 0.955 1.00 62.35 O ATOM 458 CB VAL A 33 32.282 -7.689 -1.276 1.00 52.43 C ATOM 459 CG1 VAL A 33 30.942 -7.217 -0.705 1.00 44.10 C ATOM 460 CG2 VAL A 33 32.654 -6.861 -2.493 1.00 45.39 C ATOM 461 HA VAL A 33 33.533 -6.579 0.134 1.00 0.00 H ATOM 462 HB VAL A 33 32.198 -8.727 -1.598 1.00 0.00 H ATOM 463 HG11 VAL A 33 30.660 -7.856 0.132 1.00 0.00 H ATOM 464 HG12 VAL A 33 31.038 -6.187 -0.361 1.00 0.00 H ATOM 465 HG13 VAL A 33 30.178 -7.273 -1.480 1.00 0.00 H ATOM 466 HG21 VAL A 33 32.773 -5.818 -2.199 1.00 0.00 H ATOM 467 HG22 VAL A 33 33.591 -7.231 -2.910 1.00 0.00 H ATOM 468 HG23 VAL A 33 31.865 -6.942 -3.241 1.00 0.00 H ATOM 469 H VAL A 33 34.865 -8.966 -0.960 1.00 0.00 H ATOM 470 N ASP A 34 32.783 -7.773 2.095 1.00 43.00 N ATOM 471 CA ASP A 34 32.234 -8.052 3.370 1.00 44.11 C ATOM 472 C ASP A 34 30.750 -7.621 3.454 1.00 46.20 C ATOM 473 O ASP A 34 30.385 -6.506 3.811 1.00 42.70 O ATOM 474 CB ASP A 34 33.083 -7.301 4.392 1.00 33.42 C ATOM 475 CG ASP A 34 32.925 -7.740 5.812 1.00 45.93 C ATOM 476 OD1 ASP A 34 31.806 -8.084 6.232 1.00 61.26 O ATOM 477 OD2 ASP A 34 33.900 -7.729 6.612 1.00 54.28 O ATOM 478 HA ASP A 34 32.250 -9.124 3.566 1.00 0.00 H ATOM 479 HB2 ASP A 34 34.130 -7.428 4.116 1.00 0.00 H ATOM 480 HB3 ASP A 34 32.819 -6.245 4.336 1.00 0.00 H ATOM 481 H ASP A 34 33.225 -6.833 2.038 1.00 0.00 H ATOM 482 N SER A 35 29.877 -8.599 3.319 1.00 45.88 N ATOM 483 CA SER A 35 28.432 -8.458 3.377 1.00 50.83 C ATOM 484 C SER A 35 27.819 -8.959 4.663 1.00 46.54 C ATOM 485 O SER A 35 28.067 -10.052 5.158 1.00 51.16 O ATOM 486 CB SER A 35 27.783 -9.296 2.248 1.00 51.58 C ATOM 487 OG SER A 35 26.515 -8.693 1.984 1.00 71.42 O ATOM 488 HA SER A 35 28.245 -7.388 3.286 1.00 0.00 H ATOM 489 HB2 SER A 35 27.651 -10.329 2.571 1.00 0.00 H ATOM 490 HB3 SER A 35 28.406 -9.273 1.354 1.00 0.00 H ATOM 491 HG SER A 35 26.056 -9.194 1.264 1.00 0.00 H ATOM 492 H SER A 35 30.255 -9.554 3.157 1.00 0.00 H ATOM 493 N ARG A 36 27.091 -8.094 5.361 1.00 44.87 N ATOM 494 CA ARG A 36 26.646 -8.347 6.678 1.00 39.57 C ATOM 495 C ARG A 36 25.223 -7.865 6.881 1.00 39.87 C ATOM 496 O ARG A 36 24.785 -6.774 6.506 1.00 35.95 O ATOM 497 CB ARG A 36 27.571 -7.664 7.736 1.00 45.81 C ATOM 498 CG ARG A 36 29.089 -7.777 7.542 1.00 44.58 C ATOM 499 CD ARG A 36 29.882 -7.198 8.725 1.00 47.39 C ATOM 500 NE ARG A 36 31.315 -7.130 8.438 1.00 49.88 N ATOM 501 CZ ARG A 36 32.262 -6.443 9.063 1.00 46.14 C ATOM 502 NH1 ARG A 36 32.021 -5.680 10.110 1.00 43.92 N ATOM 503 NH2 ARG A 36 33.518 -6.505 8.628 1.00 46.96 N ATOM 504 HA ARG A 36 26.683 -9.427 6.818 1.00 0.00 H ATOM 505 HB2 ARG A 36 27.323 -6.603 7.747 1.00 0.00 H ATOM 506 HB3 ARG A 36 27.334 -8.102 8.706 1.00 0.00 H ATOM 507 HG2 ARG A 36 29.349 -8.829 7.429 1.00 0.00 H ATOM 508 HG3 ARG A 36 29.367 -7.236 6.637 1.00 0.00 H ATOM 509 HD2 ARG A 36 29.727 -7.832 9.598 1.00 0.00 H ATOM 510 HD3 ARG A 36 29.516 -6.193 8.937 1.00 0.00 H ATOM 511 HE ARG A 36 31.636 -7.701 7.630 1.00 0.00 H ATOM 512 HH12 ARG A 36 32.799 -5.161 10.565 1.00 0.00 H ATOM 513 HH11 ARG A 36 31.053 -5.597 10.481 1.00 0.00 H ATOM 514 HH22 ARG A 36 34.264 -5.968 9.115 1.00 0.00 H ATOM 515 HH21 ARG A 36 33.754 -7.090 7.801 1.00 0.00 H ATOM 516 H ARG A 36 26.837 -7.188 4.917 1.00 0.00 H ATOM 517 N ASP A 37 24.492 -8.755 7.561 1.00 38.57 N ATOM 518 CA ASP A 37 23.109 -8.470 7.922 1.00 41.21 C ATOM 519 C ASP A 37 23.279 -7.476 9.069 1.00 40.35 C ATOM 520 O ASP A 37 23.938 -7.811 10.061 1.00 40.01 O ATOM 521 CB ASP A 37 22.408 -9.734 8.372 1.00 47.21 C ATOM 522 CG ASP A 37 20.935 -9.695 8.668 1.00 53.34 C ATOM 523 OD1 ASP A 37 20.462 -8.749 9.344 1.00 44.45 O ATOM 524 OD2 ASP A 37 20.240 -10.664 8.225 1.00 48.55 O ATOM 525 HA ASP A 37 22.500 -8.083 7.105 1.00 0.00 H ATOM 526 HB2 ASP A 37 22.555 -10.476 7.587 1.00 0.00 H ATOM 527 HB3 ASP A 37 22.906 -10.067 9.282 1.00 0.00 H ATOM 528 H ASP A 37 24.917 -9.664 7.836 1.00 0.00 H ATOM 529 N ALA A 38 22.372 -6.521 9.140 1.00 38.56 N ATOM 530 CA ALA A 38 22.385 -5.446 10.113 1.00 40.12 C ATOM 531 C ALA A 38 22.206 -5.997 11.506 1.00 41.37 C ATOM 532 O ALA A 38 22.483 -5.390 12.552 1.00 38.59 O ATOM 533 CB ALA A 38 21.263 -4.436 9.840 1.00 33.79 C ATOM 534 HA ALA A 38 23.349 -4.943 10.030 1.00 0.00 H ATOM 535 HB1 ALA A 38 21.395 -4.008 8.846 1.00 0.00 H ATOM 536 HB2 ALA A 38 20.299 -4.942 9.894 1.00 0.00 H ATOM 537 HB3 ALA A 38 21.300 -3.643 10.587 1.00 0.00 H ATOM 538 H ALA A 38 21.594 -6.540 8.450 1.00 0.00 H ATOM 539 N ALA A 39 21.490 -7.138 11.555 1.00 40.26 N ATOM 540 CA ALA A 39 21.124 -7.680 12.877 1.00 39.14 C ATOM 541 C ALA A 39 22.382 -8.196 13.592 1.00 39.29 C ATOM 542 O ALA A 39 22.396 -8.395 14.812 1.00 42.31 O ATOM 543 CB ALA A 39 20.141 -8.839 12.627 1.00 48.01 C ATOM 544 HA ALA A 39 20.669 -6.915 13.506 1.00 0.00 H ATOM 545 HB1 ALA A 39 19.261 -8.461 12.106 1.00 0.00 H ATOM 546 HB2 ALA A 39 20.627 -9.601 12.017 1.00 0.00 H ATOM 547 HB3 ALA A 39 19.842 -9.272 13.581 1.00 0.00 H ATOM 548 H ALA A 39 21.203 -7.624 10.682 1.00 0.00 H ATOM 549 N SER A 40 23.415 -8.557 12.841 1.00 35.78 N ATOM 550 CA SER A 40 24.656 -9.033 13.409 1.00 45.79 C ATOM 551 C SER A 40 25.755 -7.950 13.494 1.00 50.43 C ATOM 552 O SER A 40 26.914 -8.355 13.623 1.00 48.39 O ATOM 553 CB SER A 40 25.198 -10.138 12.504 1.00 38.60 C ATOM 554 OG SER A 40 25.724 -9.518 11.344 1.00 51.50 O ATOM 555 HA SER A 40 24.430 -9.367 14.422 1.00 0.00 H ATOM 556 HB2 SER A 40 24.395 -10.822 12.229 1.00 0.00 H ATOM 557 HB3 SER A 40 25.983 -10.690 13.020 1.00 0.00 H ATOM 558 HG SER A 40 25.005 -9.016 10.885 1.00 0.00 H ATOM 559 H SER A 40 23.328 -8.495 11.806 1.00 0.00 H ATOM 560 N VAL A 41 25.478 -6.636 13.311 1.00 47.30 N ATOM 561 CA VAL A 41 26.605 -5.698 13.407 1.00 48.86 C ATOM 562 C VAL A 41 26.557 -4.786 14.616 1.00 46.31 C ATOM 563 O VAL A 41 25.535 -4.711 15.311 1.00 48.22 O ATOM 564 CB VAL A 41 26.719 -4.919 12.076 1.00 53.85 C ATOM 565 CG1 VAL A 41 26.927 -5.866 10.922 1.00 45.31 C ATOM 566 CG2 VAL A 41 25.522 -4.009 11.806 1.00 41.18 C ATOM 567 HA VAL A 41 27.511 -6.282 13.567 1.00 0.00 H ATOM 568 HB VAL A 41 27.589 -4.270 12.175 1.00 0.00 H ATOM 569 HG11 VAL A 41 27.845 -6.433 11.080 1.00 0.00 H ATOM 570 HG12 VAL A 41 26.082 -6.551 10.859 1.00 0.00 H ATOM 571 HG13 VAL A 41 27.004 -5.297 9.996 1.00 0.00 H ATOM 572 HG21 VAL A 41 24.614 -4.610 11.760 1.00 0.00 H ATOM 573 HG22 VAL A 41 25.435 -3.278 12.609 1.00 0.00 H ATOM 574 HG23 VAL A 41 25.667 -3.493 10.857 1.00 0.00 H ATOM 575 H VAL A 41 24.512 -6.307 13.112 1.00 0.00 H ATOM 576 N GLU A 42 27.655 -4.097 14.951 1.00 49.12 N ATOM 577 CA GLU A 42 27.688 -3.110 16.039 1.00 49.42 C ATOM 578 C GLU A 42 28.052 -1.740 15.447 1.00 44.13 C ATOM 579 O GLU A 42 29.085 -1.623 14.793 1.00 45.98 O ATOM 580 CB GLU A 42 28.686 -3.439 17.126 1.00 55.05 C ATOM 581 CG GLU A 42 28.590 -4.826 17.715 1.00 82.93 C ATOM 582 CD GLU A 42 27.290 -5.160 18.406 1.00 86.08 C ATOM 583 OE1 GLU A 42 26.229 -4.581 18.103 1.00 93.12 O ATOM 584 OE2 GLU A 42 27.357 -6.048 19.288 1.00 99.50 O ATOM 585 HA GLU A 42 26.700 -3.113 16.499 1.00 0.00 H ATOM 586 HB2 GLU A 42 29.686 -3.323 16.708 1.00 0.00 H ATOM 587 HB3 GLU A 42 28.546 -2.722 17.935 1.00 0.00 H ATOM 588 HG2 GLU A 42 28.733 -5.543 16.907 1.00 0.00 H ATOM 589 HG3 GLU A 42 29.394 -4.936 18.443 1.00 0.00 H ATOM 590 H GLU A 42 28.529 -4.269 14.414 1.00 0.00 H ATOM 591 N ALA A 43 27.260 -0.699 15.606 1.00 43.16 N ATOM 592 CA ALA A 43 27.572 0.588 15.036 1.00 44.29 C ATOM 593 C ALA A 43 28.987 1.212 15.311 1.00 44.17 C ATOM 594 O ALA A 43 29.577 1.717 14.369 1.00 43.78 O ATOM 595 CB ALA A 43 26.631 1.538 15.782 1.00 46.06 C ATOM 596 HA ALA A 43 27.501 0.460 13.956 1.00 0.00 H ATOM 597 HB1 ALA A 43 25.598 1.240 15.601 1.00 0.00 H ATOM 598 HB2 ALA A 43 26.842 1.492 16.850 1.00 0.00 H ATOM 599 HB3 ALA A 43 26.785 2.556 15.423 1.00 0.00 H ATOM 600 H ALA A 43 26.385 -0.809 16.158 1.00 0.00 H ATOM 601 N GLY A 44 29.602 1.031 16.441 1.00 43.16 N ATOM 602 CA GLY A 44 30.763 1.810 16.970 1.00 40.54 C ATOM 603 C GLY A 44 31.946 1.466 16.070 1.00 42.49 C ATOM 604 O GLY A 44 32.397 0.348 16.204 1.00 40.19 O ATOM 605 HA3 GLY A 44 30.974 1.523 18.000 1.00 0.00 H ATOM 606 HA2 GLY A 44 30.553 2.879 16.928 1.00 0.00 H ATOM 607 H GLY A 44 29.248 0.260 17.043 1.00 0.00 H ATOM 608 N GLY A 45 32.451 2.376 15.194 1.00 40.96 N ATOM 609 CA GLY A 45 33.524 1.989 14.313 1.00 38.73 C ATOM 610 C GLY A 45 33.184 0.980 13.233 1.00 39.28 C ATOM 611 O GLY A 45 34.026 0.467 12.510 1.00 37.44 O ATOM 612 HA3 GLY A 45 34.318 1.563 14.926 1.00 0.00 H ATOM 613 HA2 GLY A 45 33.890 2.890 13.821 1.00 0.00 H ATOM 614 H GLY A 45 32.067 3.342 15.160 1.00 0.00 H ATOM 615 N LEU A 46 31.901 0.784 12.829 1.00 37.24 N ATOM 616 CA LEU A 46 31.680 -0.216 11.768 1.00 29.54 C ATOM 617 C LEU A 46 32.259 0.184 10.529 1.00 31.58 C ATOM 618 O LEU A 46 32.581 -0.779 9.825 1.00 40.08 O ATOM 619 CB LEU A 46 30.158 -0.480 11.745 1.00 46.52 C ATOM 620 CG LEU A 46 29.627 -1.622 10.888 1.00 54.51 C ATOM 621 CD1 LEU A 46 30.080 -3.003 11.404 1.00 33.51 C ATOM 622 CD2 LEU A 46 28.085 -1.515 10.858 1.00 40.15 C ATOM 623 HA LEU A 46 32.193 -1.158 11.965 1.00 0.00 H ATOM 624 HB2 LEU A 46 29.851 -0.679 12.772 1.00 0.00 H ATOM 625 HB3 LEU A 46 29.679 0.434 11.395 1.00 0.00 H ATOM 626 HG LEU A 46 30.034 -1.534 9.881 1.00 0.00 H ATOM 627 HD21 LEU A 46 27.697 -1.592 11.874 1.00 0.00 H ATOM 628 HD22 LEU A 46 27.797 -0.555 10.430 1.00 0.00 H ATOM 629 HD23 LEU A 46 27.678 -2.323 10.250 1.00 0.00 H ATOM 630 HD11 LEU A 46 31.169 -3.053 11.396 1.00 0.00 H ATOM 631 HD12 LEU A 46 29.716 -3.147 12.421 1.00 0.00 H ATOM 632 HD13 LEU A 46 29.674 -3.782 10.758 1.00 0.00 H ATOM 633 H LEU A 46 31.111 1.315 13.249 1.00 0.00 H ATOM 634 N PHE A 47 32.283 1.432 10.029 1.00 34.66 N ATOM 635 CA PHE A 47 32.940 1.666 8.735 1.00 36.37 C ATOM 636 C PHE A 47 34.455 1.702 8.745 1.00 36.89 C ATOM 637 O PHE A 47 35.082 1.784 7.653 1.00 35.51 O ATOM 638 CB PHE A 47 32.267 2.901 8.076 1.00 34.97 C ATOM 639 CG PHE A 47 30.750 2.883 8.110 1.00 49.64 C ATOM 640 CD1 PHE A 47 29.967 1.711 8.304 1.00 33.05 C ATOM 641 CD2 PHE A 47 30.072 4.043 7.807 1.00 47.63 C ATOM 642 CE1 PHE A 47 28.579 1.838 8.394 1.00 46.22 C ATOM 643 CE2 PHE A 47 28.694 4.126 7.838 1.00 48.74 C ATOM 644 CZ PHE A 47 27.935 3.025 8.158 1.00 40.00 C ATOM 645 HA PHE A 47 32.780 0.783 8.116 1.00 0.00 H ATOM 646 HB2 PHE A 47 32.609 3.795 8.598 1.00 0.00 H ATOM 647 HB3 PHE A 47 32.584 2.947 7.034 1.00 0.00 H ATOM 648 HD2 PHE A 47 30.645 4.929 7.532 1.00 0.00 H ATOM 649 HE2 PHE A 47 28.204 5.072 7.607 1.00 0.00 H ATOM 650 HZ PHE A 47 26.849 3.094 8.222 1.00 0.00 H ATOM 651 HE1 PHE A 47 27.987 0.963 8.661 1.00 0.00 H ATOM 652 HD1 PHE A 47 30.441 0.733 8.381 1.00 0.00 H ATOM 653 H PHE A 47 31.844 2.218 10.549 1.00 0.00 H ATOM 654 N GLU A 48 35.124 1.576 9.889 1.00 37.48 N ATOM 655 CA GLU A 48 36.613 1.694 9.918 1.00 42.11 C ATOM 656 C GLU A 48 37.262 0.691 9.001 1.00 41.14 C ATOM 657 O GLU A 48 36.919 -0.438 9.105 1.00 45.63 O ATOM 658 CB GLU A 48 37.193 1.481 11.295 1.00 40.28 C ATOM 659 CG GLU A 48 36.800 2.676 12.196 1.00 33.88 C ATOM 660 CD GLU A 48 37.700 3.870 11.888 1.00 34.60 C ATOM 661 OE1 GLU A 48 38.840 3.732 11.391 1.00 30.50 O ATOM 662 OE2 GLU A 48 37.232 4.989 12.166 1.00 33.74 O ATOM 663 HA GLU A 48 36.822 2.713 9.591 1.00 0.00 H ATOM 664 HB2 GLU A 48 36.799 0.558 11.719 1.00 0.00 H ATOM 665 HB3 GLU A 48 38.279 1.414 11.228 1.00 0.00 H ATOM 666 HG2 GLU A 48 35.761 2.947 12.007 1.00 0.00 H ATOM 667 HG3 GLU A 48 36.916 2.395 13.243 1.00 0.00 H ATOM 668 H GLU A 48 34.605 1.394 10.771 1.00 0.00 H ATOM 669 N GLY A 49 38.070 1.018 8.050 1.00 44.37 N ATOM 670 CA GLY A 49 38.798 0.330 7.096 1.00 46.43 C ATOM 671 C GLY A 49 38.208 0.064 5.732 1.00 47.69 C ATOM 672 O GLY A 49 38.912 -0.527 4.904 1.00 51.95 O ATOM 673 HA3 GLY A 49 39.041 -0.641 7.527 1.00 0.00 H ATOM 674 HA2 GLY A 49 39.716 0.895 6.935 1.00 0.00 H ATOM 675 H GLY A 49 38.207 2.047 7.985 1.00 0.00 H ATOM 676 N PHE A 50 37.029 0.566 5.419 1.00 44.64 N ATOM 677 CA PHE A 50 36.535 0.221 4.075 1.00 44.55 C ATOM 678 C PHE A 50 36.749 1.322 3.061 1.00 36.35 C ATOM 679 O PHE A 50 36.277 2.379 3.598 1.00 39.38 O ATOM 680 CB PHE A 50 34.993 -0.067 4.383 1.00 50.23 C ATOM 681 CG PHE A 50 34.791 -1.415 5.053 1.00 34.42 C ATOM 682 CD1 PHE A 50 34.901 -2.544 4.276 1.00 34.83 C ATOM 683 CD2 PHE A 50 34.479 -1.577 6.389 1.00 42.41 C ATOM 684 CE1 PHE A 50 34.835 -3.821 4.777 1.00 25.66 C ATOM 685 CE2 PHE A 50 34.322 -2.855 6.928 1.00 44.91 C ATOM 686 CZ PHE A 50 34.474 -3.981 6.138 1.00 32.53 C ATOM 687 HA PHE A 50 37.057 -0.616 3.610 1.00 0.00 H ATOM 688 HB2 PHE A 50 34.613 0.714 5.041 1.00 0.00 H ATOM 689 HB3 PHE A 50 34.437 -0.053 3.445 1.00 0.00 H ATOM 690 HD2 PHE A 50 34.355 -0.701 7.026 1.00 0.00 H ATOM 691 HE2 PHE A 50 34.077 -2.967 7.984 1.00 0.00 H ATOM 692 HZ PHE A 50 34.318 -4.976 6.556 1.00 0.00 H ATOM 693 HE1 PHE A 50 35.053 -4.684 4.148 1.00 0.00 H ATOM 694 HD1 PHE A 50 35.049 -2.419 3.203 1.00 0.00 H ATOM 695 H PHE A 50 36.486 1.163 6.075 1.00 0.00 H ATOM 696 N ASP A 51 36.893 1.232 1.757 1.00 36.80 N ATOM 697 CA ASP A 51 36.932 2.485 0.982 1.00 43.36 C ATOM 698 C ASP A 51 35.538 2.861 0.513 1.00 48.23 C ATOM 699 O ASP A 51 35.318 3.959 0.028 1.00 49.38 O ATOM 700 CB ASP A 51 37.822 2.348 -0.259 1.00 47.72 C ATOM 701 CG ASP A 51 38.813 1.224 -0.026 1.00 67.68 C ATOM 702 OD1 ASP A 51 39.851 1.414 0.646 1.00 66.75 O ATOM 703 OD2 ASP A 51 38.527 0.034 -0.305 1.00 82.10 O ATOM 704 HA ASP A 51 37.337 3.254 1.640 1.00 0.00 H ATOM 705 HB2 ASP A 51 37.206 2.120 -1.129 1.00 0.00 H ATOM 706 HB3 ASP A 51 38.359 3.281 -0.430 1.00 0.00 H ATOM 707 H ASP A 51 36.977 0.307 1.288 1.00 0.00 H ATOM 708 N LEU A 52 34.644 1.873 0.472 1.00 47.57 N ATOM 709 CA LEU A 52 33.263 2.013 0.048 1.00 50.90 C ATOM 710 C LEU A 52 32.224 1.391 0.930 1.00 47.91 C ATOM 711 O LEU A 52 32.300 0.115 1.006 1.00 46.87 O ATOM 712 CB LEU A 52 33.019 1.383 -1.332 1.00 43.13 C ATOM 713 CG LEU A 52 31.560 1.332 -1.807 1.00 43.06 C ATOM 714 CD1 LEU A 52 30.998 2.794 -1.933 1.00 45.14 C ATOM 715 CD2 LEU A 52 31.443 0.650 -3.181 1.00 38.86 C ATOM 716 HA LEU A 52 33.146 3.097 0.068 1.00 0.00 H ATOM 717 HB2 LEU A 52 33.587 1.956 -2.064 1.00 0.00 H ATOM 718 HB3 LEU A 52 33.395 0.360 -1.302 1.00 0.00 H ATOM 719 HG LEU A 52 30.991 0.759 -1.075 1.00 0.00 H ATOM 720 HD21 LEU A 52 32.027 1.208 -3.913 1.00 0.00 H ATOM 721 HD22 LEU A 52 31.822 -0.370 -3.112 1.00 0.00 H ATOM 722 HD23 LEU A 52 30.397 0.631 -3.488 1.00 0.00 H ATOM 723 HD11 LEU A 52 31.047 3.286 -0.962 1.00 0.00 H ATOM 724 HD12 LEU A 52 31.596 3.351 -2.654 1.00 0.00 H ATOM 725 HD13 LEU A 52 29.962 2.756 -2.270 1.00 0.00 H ATOM 726 H LEU A 52 34.961 0.927 0.767 1.00 0.00 H ATOM 727 N VAL A 53 31.242 1.934 1.540 1.00 42.58 N ATOM 728 CA VAL A 53 30.203 1.419 2.385 1.00 42.25 C ATOM 729 C VAL A 53 28.826 1.485 1.710 1.00 47.68 C ATOM 730 O VAL A 53 28.394 2.678 1.492 1.00 49.29 O ATOM 731 CB VAL A 53 30.181 2.151 3.741 1.00 40.75 C ATOM 732 CG1 VAL A 53 28.965 1.792 4.559 1.00 30.63 C ATOM 733 CG2 VAL A 53 31.528 1.878 4.536 1.00 34.30 C ATOM 734 HA VAL A 53 30.428 0.367 2.563 1.00 0.00 H ATOM 735 HB VAL A 53 30.112 3.221 3.544 1.00 0.00 H ATOM 736 HG11 VAL A 53 28.065 2.067 4.009 1.00 0.00 H ATOM 737 HG12 VAL A 53 28.962 0.719 4.751 1.00 0.00 H ATOM 738 HG13 VAL A 53 28.993 2.332 5.506 1.00 0.00 H ATOM 739 HG21 VAL A 53 31.635 0.807 4.710 1.00 0.00 H ATOM 740 HG22 VAL A 53 32.374 2.238 3.950 1.00 0.00 H ATOM 741 HG23 VAL A 53 31.497 2.402 5.491 1.00 0.00 H ATOM 742 H VAL A 53 31.183 2.962 1.394 1.00 0.00 H ATOM 743 N LEU A 54 28.218 0.373 1.413 1.00 45.40 N ATOM 744 CA LEU A 54 26.897 0.273 0.821 1.00 40.23 C ATOM 745 C LEU A 54 25.860 -0.106 1.880 1.00 38.77 C ATOM 746 O LEU A 54 25.966 -1.129 2.519 1.00 41.18 O ATOM 747 CB LEU A 54 26.850 -0.602 -0.415 1.00 31.10 C ATOM 748 CG LEU A 54 27.804 -0.321 -1.537 1.00 38.61 C ATOM 749 CD1 LEU A 54 27.659 -1.224 -2.747 1.00 39.23 C ATOM 750 CD2 LEU A 54 27.674 1.166 -1.957 1.00 44.00 C ATOM 751 HA LEU A 54 26.633 1.263 0.449 1.00 0.00 H ATOM 752 HB2 LEU A 54 27.031 -1.626 -0.089 1.00 0.00 H ATOM 753 HB3 LEU A 54 25.843 -0.525 -0.824 1.00 0.00 H ATOM 754 HG LEU A 54 28.799 -0.536 -1.146 1.00 0.00 H ATOM 755 HD21 LEU A 54 26.653 1.361 -2.286 1.00 0.00 H ATOM 756 HD22 LEU A 54 27.911 1.805 -1.106 1.00 0.00 H ATOM 757 HD23 LEU A 54 28.366 1.374 -2.773 1.00 0.00 H ATOM 758 HD11 LEU A 54 27.825 -2.259 -2.448 1.00 0.00 H ATOM 759 HD12 LEU A 54 26.655 -1.120 -3.158 1.00 0.00 H ATOM 760 HD13 LEU A 54 28.393 -0.940 -3.501 1.00 0.00 H ATOM 761 H LEU A 54 28.719 -0.515 1.616 1.00 0.00 H ATOM 762 N LEU A 55 24.924 0.859 2.130 1.00 37.02 N ATOM 763 CA LEU A 55 23.922 0.510 3.146 1.00 33.50 C ATOM 764 C LEU A 55 22.612 0.054 2.482 1.00 42.40 C ATOM 765 O LEU A 55 22.038 0.931 1.797 1.00 36.28 O ATOM 766 CB LEU A 55 23.566 1.637 4.096 1.00 24.34 C ATOM 767 CG LEU A 55 24.949 2.033 4.802 1.00 30.90 C ATOM 768 CD1 LEU A 55 24.577 3.283 5.643 1.00 26.48 C ATOM 769 CD2 LEU A 55 25.201 0.879 5.798 1.00 31.14 C ATOM 770 HA LEU A 55 24.392 -0.286 3.724 1.00 0.00 H ATOM 771 HB2 LEU A 55 23.158 2.486 3.548 1.00 0.00 H ATOM 772 HB3 LEU A 55 22.840 1.300 4.836 1.00 0.00 H ATOM 773 HG LEU A 55 25.792 2.202 4.132 1.00 0.00 H ATOM 774 HD21 LEU A 55 24.376 0.827 6.508 1.00 0.00 H ATOM 775 HD22 LEU A 55 25.272 -0.062 5.252 1.00 0.00 H ATOM 776 HD23 LEU A 55 26.133 1.060 6.334 1.00 0.00 H ATOM 777 HD11 LEU A 55 24.207 4.067 4.982 1.00 0.00 H ATOM 778 HD12 LEU A 55 23.803 3.018 6.363 1.00 0.00 H ATOM 779 HD13 LEU A 55 25.461 3.639 6.173 1.00 0.00 H ATOM 780 H LEU A 55 24.922 1.774 1.636 1.00 0.00 H ATOM 781 N GLY A 56 21.944 -0.917 3.066 1.00 40.42 N ATOM 782 CA GLY A 56 20.778 -1.526 2.450 1.00 33.37 C ATOM 783 C GLY A 56 19.630 -1.680 3.415 1.00 34.57 C ATOM 784 O GLY A 56 19.817 -2.338 4.473 1.00 33.96 O ATOM 785 HA3 GLY A 56 21.055 -2.511 2.075 1.00 0.00 H ATOM 786 HA2 GLY A 56 20.455 -0.900 1.618 1.00 0.00 H ATOM 787 H GLY A 56 22.260 -1.259 3.996 1.00 0.00 H ATOM 788 N CYS A 57 18.474 -1.032 3.143 1.00 34.65 N ATOM 789 CA CYS A 57 17.346 -1.181 4.058 1.00 37.30 C ATOM 790 C CYS A 57 15.984 -1.217 3.345 1.00 36.76 C ATOM 791 O CYS A 57 15.765 -0.455 2.407 1.00 38.00 O ATOM 792 CB CYS A 57 17.308 -0.031 5.088 1.00 18.97 C ATOM 793 SG CYS A 57 16.425 -0.245 6.520 1.00 27.10 S ATOM 794 HA CYS A 57 17.506 -2.140 4.551 1.00 0.00 H ATOM 795 HB2 CYS A 57 16.891 0.839 4.581 1.00 0.00 H ATOM 796 HB3 CYS A 57 18.339 0.176 5.375 1.00 0.00 H ATOM 797 HG CYS A 57 15.101 -0.481 6.211 1.00 0.00 H ATOM 798 H CYS A 57 18.390 -0.436 2.295 1.00 0.00 H ATOM 799 N SER A 58 15.006 -1.882 3.991 1.00 38.44 N ATOM 800 CA SER A 58 13.645 -1.880 3.456 1.00 39.18 C ATOM 801 C SER A 58 12.798 -1.043 4.425 1.00 38.48 C ATOM 802 O SER A 58 13.200 -0.649 5.505 1.00 39.04 O ATOM 803 CB SER A 58 13.026 -3.265 3.234 1.00 28.42 C ATOM 804 OG SER A 58 12.884 -3.954 4.485 1.00 33.15 O ATOM 805 HA SER A 58 13.674 -1.456 2.452 1.00 0.00 H ATOM 806 HB2 SER A 58 13.671 -3.846 2.575 1.00 0.00 H ATOM 807 HB3 SER A 58 12.045 -3.151 2.773 1.00 0.00 H ATOM 808 HG SER A 58 12.484 -4.845 4.326 1.00 0.00 H ATOM 809 H SER A 58 15.219 -2.396 4.869 1.00 0.00 H ATOM 810 N THR A 59 11.686 -0.616 3.943 1.00 37.62 N ATOM 811 CA THR A 59 10.704 0.250 4.531 1.00 41.09 C ATOM 812 C THR A 59 9.428 -0.450 4.945 1.00 43.28 C ATOM 813 O THR A 59 8.896 -1.354 4.277 1.00 40.04 O ATOM 814 CB THR A 59 10.428 1.321 3.391 1.00 51.83 C ATOM 815 OG1 THR A 59 11.707 1.788 2.928 1.00 47.07 O ATOM 816 CG2 THR A 59 9.491 2.386 3.895 1.00 31.01 C ATOM 817 HA THR A 59 11.068 0.678 5.465 1.00 0.00 H ATOM 818 HB THR A 59 9.909 0.899 2.530 1.00 0.00 H ATOM 819 HG1 THR A 59 11.573 2.460 2.214 1.00 0.00 H ATOM 820 HG23 THR A 59 8.558 1.924 4.218 1.00 0.00 H ATOM 821 HG21 THR A 59 9.951 2.905 4.736 1.00 0.00 H ATOM 822 HG22 THR A 59 9.287 3.097 3.095 1.00 0.00 H ATOM 823 H THR A 59 11.464 -0.948 2.983 1.00 0.00 H ATOM 824 N TRP A 60 8.941 -0.190 6.151 1.00 41.65 N ATOM 825 CA TRP A 60 7.814 -0.746 6.860 1.00 49.28 C ATOM 826 C TRP A 60 6.916 0.400 7.298 1.00 49.42 C ATOM 827 O TRP A 60 7.086 1.488 6.708 1.00 51.44 O ATOM 828 CB TRP A 60 8.233 -1.665 8.101 1.00 27.97 C ATOM 829 CG TRP A 60 9.130 -2.667 7.392 1.00 38.92 C ATOM 830 CD1 TRP A 60 10.494 -2.684 7.281 1.00 38.32 C ATOM 831 CD2 TRP A 60 8.642 -3.777 6.629 1.00 38.30 C ATOM 832 NE1 TRP A 60 10.889 -3.741 6.474 1.00 46.81 N ATOM 833 CE2 TRP A 60 9.753 -4.433 6.080 1.00 38.19 C ATOM 834 CE3 TRP A 60 7.335 -4.295 6.428 1.00 43.91 C ATOM 835 CZ2 TRP A 60 9.608 -5.575 5.313 1.00 37.87 C ATOM 836 CZ3 TRP A 60 7.208 -5.437 5.631 1.00 32.86 C ATOM 837 CH2 TRP A 60 8.339 -6.068 5.121 1.00 37.87 C ATOM 838 HA TRP A 60 7.280 -1.413 6.184 1.00 0.00 H ATOM 839 HB2 TRP A 60 8.776 -1.100 8.859 1.00 0.00 H ATOM 840 HB3 TRP A 60 7.369 -2.147 8.558 1.00 0.00 H ATOM 841 HE1 TRP A 60 11.868 -3.974 6.210 1.00 0.00 H ATOM 842 HD1 TRP A 60 11.170 -1.973 7.756 1.00 0.00 H ATOM 843 HZ2 TRP A 60 10.474 -6.070 4.874 1.00 0.00 H ATOM 844 HH2 TRP A 60 8.214 -6.987 4.548 1.00 0.00 H ATOM 845 HZ3 TRP A 60 6.218 -5.835 5.408 1.00 0.00 H ATOM 846 HE3 TRP A 60 6.463 -3.820 6.878 1.00 0.00 H ATOM 847 H TRP A 60 9.461 0.541 6.677 1.00 0.00 H ATOM 848 N GLY A 61 6.029 0.364 8.244 1.00 50.50 N ATOM 849 CA GLY A 61 5.314 1.668 8.463 1.00 59.79 C ATOM 850 C GLY A 61 4.445 2.141 7.282 1.00 63.56 C ATOM 851 O GLY A 61 4.278 1.532 6.221 1.00 61.50 O ATOM 852 HA3 GLY A 61 6.063 2.435 8.661 1.00 0.00 H ATOM 853 HA2 GLY A 61 4.669 1.558 9.335 1.00 0.00 H ATOM 854 H GLY A 61 5.830 -0.491 8.801 1.00 0.00 H ATOM 855 N ASP A 62 3.880 3.343 7.451 1.00 66.60 N ATOM 856 CA ASP A 62 2.741 3.848 6.694 1.00 69.55 C ATOM 857 C ASP A 62 2.636 5.354 6.508 1.00 67.35 C ATOM 858 O ASP A 62 3.022 5.970 5.527 1.00 62.93 O ATOM 859 CB ASP A 62 1.491 3.450 7.523 1.00 75.55 C ATOM 860 CG ASP A 62 0.169 3.721 6.839 1.00 76.10 C ATOM 861 OD1 ASP A 62 0.097 4.310 5.738 1.00 63.93 O ATOM 862 OD2 ASP A 62 -0.859 3.342 7.444 1.00 82.35 O ATOM 863 HA ASP A 62 2.841 3.431 5.692 1.00 0.00 H ATOM 864 HB2 ASP A 62 1.551 2.383 7.738 1.00 0.00 H ATOM 865 HB3 ASP A 62 1.511 4.009 8.458 1.00 0.00 H ATOM 866 H ASP A 62 4.285 3.965 8.179 1.00 0.00 H ATOM 867 N ASP A 63 2.052 5.962 7.536 1.00 70.68 N ATOM 868 CA ASP A 63 1.914 7.398 7.664 1.00 77.74 C ATOM 869 C ASP A 63 3.248 8.116 7.861 1.00 78.20 C ATOM 870 O ASP A 63 3.362 9.307 7.561 1.00 80.11 O ATOM 871 CB ASP A 63 1.034 7.760 8.867 1.00 93.30 C ATOM 872 CG ASP A 63 -0.371 8.097 8.400 1.00107.01 C ATOM 873 OD1 ASP A 63 -0.776 7.543 7.354 1.00114.93 O ATOM 874 OD2 ASP A 63 -1.026 8.921 9.075 1.00110.03 O ATOM 875 HA ASP A 63 1.465 7.723 6.725 1.00 0.00 H ATOM 876 HB2 ASP A 63 0.994 6.914 9.553 1.00 0.00 H ATOM 877 HB3 ASP A 63 1.461 8.622 9.380 1.00 0.00 H ATOM 878 H ASP A 63 1.669 5.367 8.298 1.00 0.00 H ATOM 879 N SER A 64 4.232 7.437 8.430 1.00 74.06 N ATOM 880 CA SER A 64 5.578 7.994 8.516 1.00 72.86 C ATOM 881 C SER A 64 6.607 6.968 8.030 1.00 67.62 C ATOM 882 O SER A 64 6.227 5.817 7.826 1.00 64.85 O ATOM 883 CB SER A 64 5.879 8.387 9.965 1.00 70.44 C ATOM 884 OG SER A 64 5.910 7.191 10.726 1.00 73.82 O ATOM 885 HA SER A 64 5.638 8.878 7.882 1.00 0.00 H ATOM 886 HB2 SER A 64 5.100 9.050 10.342 1.00 0.00 H ATOM 887 HB3 SER A 64 6.843 8.892 10.023 1.00 0.00 H ATOM 888 HG SER A 64 5.032 6.738 10.663 1.00 0.00 H ATOM 889 H SER A 64 4.043 6.492 8.822 1.00 0.00 H ATOM 890 N ILE A 65 7.844 7.401 7.842 1.00 62.75 N ATOM 891 CA ILE A 65 8.909 6.497 7.410 1.00 56.61 C ATOM 892 C ILE A 65 9.320 5.579 8.571 1.00 52.71 C ATOM 893 O ILE A 65 9.472 6.037 9.724 1.00 41.63 O ATOM 894 CB ILE A 65 10.141 7.249 6.887 1.00 59.58 C ATOM 895 CG1 ILE A 65 9.828 7.967 5.574 1.00 53.23 C ATOM 896 CG2 ILE A 65 11.340 6.313 6.722 1.00 56.50 C ATOM 897 CD1 ILE A 65 10.908 8.891 5.050 1.00 47.08 C ATOM 898 HA ILE A 65 8.512 5.905 6.585 1.00 0.00 H ATOM 899 HB ILE A 65 10.407 8.000 7.631 1.00 0.00 H ATOM 900 HG12 ILE A 65 9.641 7.208 4.815 1.00 0.00 H ATOM 901 HG13 ILE A 65 8.925 8.559 5.724 1.00 0.00 H ATOM 902 HD11 ILE A 65 11.104 9.672 5.784 1.00 0.00 H ATOM 903 HD12 ILE A 65 11.819 8.320 4.874 1.00 0.00 H ATOM 904 HD13 ILE A 65 10.575 9.344 4.116 1.00 0.00 H ATOM 905 HG21 ILE A 65 11.589 5.870 7.686 1.00 0.00 H ATOM 906 HG22 ILE A 65 11.089 5.525 6.012 1.00 0.00 H ATOM 907 HG23 ILE A 65 12.193 6.880 6.350 1.00 0.00 H ATOM 908 H ILE A 65 8.063 8.405 8.005 1.00 0.00 H ATOM 909 N GLU A 66 9.162 4.257 8.349 1.00 48.93 N ATOM 910 CA GLU A 66 9.631 3.284 9.289 1.00 49.37 C ATOM 911 C GLU A 66 10.671 2.342 8.645 1.00 50.12 C ATOM 912 O GLU A 66 10.553 1.815 7.540 1.00 49.18 O ATOM 913 CB GLU A 66 8.604 2.450 10.012 1.00 49.78 C ATOM 914 CG GLU A 66 7.900 3.108 11.119 1.00 56.73 C ATOM 915 CD GLU A 66 6.806 2.362 11.847 1.00 60.98 C ATOM 916 OE1 GLU A 66 6.986 1.248 12.384 1.00 66.99 O ATOM 917 OE2 GLU A 66 5.709 2.973 11.915 1.00 55.19 O ATOM 918 HA GLU A 66 10.068 3.915 10.063 1.00 0.00 H ATOM 919 HB2 GLU A 66 7.858 2.135 9.283 1.00 0.00 H ATOM 920 HB3 GLU A 66 9.110 1.573 10.414 1.00 0.00 H ATOM 921 HG2 GLU A 66 8.652 3.374 11.861 1.00 0.00 H ATOM 922 HG3 GLU A 66 7.452 4.016 10.716 1.00 0.00 H ATOM 923 H GLU A 66 8.690 3.939 7.478 1.00 0.00 H ATOM 924 N LEU A 67 11.711 2.138 9.467 1.00 44.78 N ATOM 925 CA LEU A 67 12.823 1.336 8.931 1.00 42.75 C ATOM 926 C LEU A 67 12.649 -0.118 9.450 1.00 37.71 C ATOM 927 O LEU A 67 12.170 -0.243 10.514 1.00 34.70 O ATOM 928 CB LEU A 67 14.128 1.903 9.428 1.00 42.01 C ATOM 929 CG LEU A 67 15.002 3.020 8.882 1.00 48.06 C ATOM 930 CD1 LEU A 67 14.299 4.131 8.184 1.00 43.61 C ATOM 931 CD2 LEU A 67 15.761 3.710 10.042 1.00 55.77 C ATOM 932 HA LEU A 67 12.825 1.352 7.841 1.00 0.00 H ATOM 933 HB2 LEU A 67 13.904 2.221 10.446 1.00 0.00 H ATOM 934 HB3 LEU A 67 14.794 1.040 9.456 1.00 0.00 H ATOM 935 HG LEU A 67 15.632 2.503 8.159 1.00 0.00 H ATOM 936 HD21 LEU A 67 15.042 4.127 10.747 1.00 0.00 H ATOM 937 HD22 LEU A 67 16.388 2.978 10.551 1.00 0.00 H ATOM 938 HD23 LEU A 67 16.385 4.509 9.642 1.00 0.00 H ATOM 939 HD11 LEU A 67 13.753 3.733 7.329 1.00 0.00 H ATOM 940 HD12 LEU A 67 13.601 4.607 8.873 1.00 0.00 H ATOM 941 HD13 LEU A 67 15.030 4.863 7.842 1.00 0.00 H ATOM 942 H LEU A 67 11.731 2.526 10.432 1.00 0.00 H ATOM 943 N GLN A 68 13.160 -1.072 8.674 1.00 34.97 N ATOM 944 CA GLN A 68 13.335 -2.452 9.027 1.00 39.68 C ATOM 945 C GLN A 68 14.010 -2.563 10.367 1.00 42.72 C ATOM 946 O GLN A 68 15.129 -2.041 10.559 1.00 43.95 O ATOM 947 CB GLN A 68 14.156 -3.146 7.942 1.00 35.41 C ATOM 948 CG GLN A 68 14.196 -4.664 7.923 1.00 36.35 C ATOM 949 CD GLN A 68 15.130 -5.324 8.900 1.00 51.74 C ATOM 950 OE1 GLN A 68 14.869 -6.456 9.309 1.00 46.49 O ATOM 951 NE2 GLN A 68 16.173 -4.693 9.443 1.00 41.92 N ATOM 952 HA GLN A 68 12.363 -2.940 9.101 1.00 0.00 H ATOM 953 HB2 GLN A 68 13.758 -2.822 6.980 1.00 0.00 H ATOM 954 HB3 GLN A 68 15.184 -2.798 8.044 1.00 0.00 H ATOM 955 HG2 GLN A 68 13.189 -5.025 8.132 1.00 0.00 H ATOM 956 HG3 GLN A 68 14.491 -4.975 6.921 1.00 0.00 H ATOM 957 HE22 GLN A 68 16.425 -3.736 9.124 1.00 0.00 H ATOM 958 HE21 GLN A 68 16.734 -5.159 10.185 1.00 0.00 H ATOM 959 H GLN A 68 13.462 -0.790 7.720 1.00 0.00 H ATOM 960 N ASP A 69 13.300 -3.195 11.271 1.00 39.87 N ATOM 961 CA ASP A 69 13.725 -3.397 12.622 1.00 44.96 C ATOM 962 C ASP A 69 15.203 -3.721 12.858 1.00 42.69 C ATOM 963 O ASP A 69 15.632 -3.253 13.936 1.00 44.44 O ATOM 964 CB ASP A 69 12.876 -4.561 13.250 1.00 40.91 C ATOM 965 CG ASP A 69 11.539 -4.011 13.693 1.00 38.79 C ATOM 966 OD1 ASP A 69 11.403 -2.762 13.765 1.00 43.95 O ATOM 967 OD2 ASP A 69 10.566 -4.750 13.987 1.00 53.41 O ATOM 968 HA ASP A 69 13.572 -2.425 13.090 1.00 0.00 H ATOM 969 HB2 ASP A 69 12.722 -5.343 12.507 1.00 0.00 H ATOM 970 HB3 ASP A 69 13.403 -4.976 14.109 1.00 0.00 H ATOM 971 H ASP A 69 12.373 -3.572 10.989 1.00 0.00 H ATOM 972 N ASP A 70 15.918 -4.497 12.054 1.00 37.98 N ATOM 973 CA ASP A 70 17.284 -4.871 12.421 1.00 41.65 C ATOM 974 C ASP A 70 18.266 -3.699 12.140 1.00 44.15 C ATOM 975 O ASP A 70 19.369 -3.680 12.695 1.00 45.03 O ATOM 976 CB ASP A 70 17.876 -6.095 11.700 1.00 36.42 C ATOM 977 CG ASP A 70 17.060 -7.371 11.730 1.00 44.10 C ATOM 978 OD1 ASP A 70 16.662 -7.746 12.855 1.00 39.81 O ATOM 979 OD2 ASP A 70 16.769 -8.031 10.686 1.00 38.57 O ATOM 980 HA ASP A 70 17.187 -5.122 13.477 1.00 0.00 H ATOM 981 HB2 ASP A 70 18.023 -5.822 10.655 1.00 0.00 H ATOM 982 HB3 ASP A 70 18.842 -6.311 12.157 1.00 0.00 H ATOM 983 H ASP A 70 15.507 -4.840 11.162 1.00 0.00 H ATOM 984 N PHE A 71 17.888 -2.834 11.202 1.00 35.42 N ATOM 985 CA PHE A 71 18.584 -1.667 10.832 1.00 37.90 C ATOM 986 C PHE A 71 18.348 -0.488 11.815 1.00 44.15 C ATOM 987 O PHE A 71 19.307 0.280 11.905 1.00 40.16 O ATOM 988 CB PHE A 71 18.325 -1.259 9.438 1.00 26.71 C ATOM 989 CG PHE A 71 19.397 -0.585 8.634 1.00 32.62 C ATOM 990 CD1 PHE A 71 19.667 0.785 8.887 1.00 42.93 C ATOM 991 CD2 PHE A 71 20.148 -1.286 7.741 1.00 25.58 C ATOM 992 CE1 PHE A 71 20.679 1.385 8.162 1.00 40.53 C ATOM 993 CE2 PHE A 71 21.165 -0.707 6.995 1.00 28.14 C ATOM 994 CZ PHE A 71 21.414 0.666 7.210 1.00 38.84 C ATOM 995 HA PHE A 71 19.639 -1.933 10.895 1.00 0.00 H ATOM 996 HB2 PHE A 71 18.046 -2.162 8.894 1.00 0.00 H ATOM 997 HB3 PHE A 71 17.476 -0.575 9.464 1.00 0.00 H ATOM 998 HD2 PHE A 71 19.942 -2.348 7.606 1.00 0.00 H ATOM 999 HE2 PHE A 71 21.745 -1.286 6.276 1.00 0.00 H ATOM 1000 HZ PHE A 71 22.186 1.172 6.630 1.00 0.00 H ATOM 1001 HE1 PHE A 71 20.910 2.436 8.334 1.00 0.00 H ATOM 1002 HD1 PHE A 71 19.096 1.345 9.628 1.00 0.00 H ATOM 1003 H PHE A 71 17.001 -3.038 10.698 1.00 0.00 H ATOM 1004 N ILE A 72 17.319 -0.373 12.611 1.00 36.29 N ATOM 1005 CA ILE A 72 17.070 0.652 13.515 1.00 37.03 C ATOM 1006 C ILE A 72 18.183 1.009 14.506 1.00 48.47 C ATOM 1007 O ILE A 72 18.382 2.191 14.718 1.00 48.20 O ATOM 1008 CB ILE A 72 15.743 0.476 14.222 1.00 30.76 C ATOM 1009 CG1 ILE A 72 14.519 0.388 13.257 1.00 39.65 C ATOM 1010 CG2 ILE A 72 15.529 1.540 15.267 1.00 30.71 C ATOM 1011 CD1 ILE A 72 13.126 0.318 13.885 1.00 37.40 C ATOM 1012 HA ILE A 72 17.029 1.525 12.864 1.00 0.00 H ATOM 1013 HB ILE A 72 15.806 -0.493 14.717 1.00 0.00 H ATOM 1014 HG12 ILE A 72 14.544 1.270 12.616 1.00 0.00 H ATOM 1015 HG13 ILE A 72 14.648 -0.506 12.647 1.00 0.00 H ATOM 1016 HD11 ILE A 72 13.058 -0.567 14.518 1.00 0.00 H ATOM 1017 HD12 ILE A 72 12.955 1.211 14.487 1.00 0.00 H ATOM 1018 HD13 ILE A 72 12.376 0.261 13.096 1.00 0.00 H ATOM 1019 HG21 ILE A 72 16.326 1.485 16.009 1.00 0.00 H ATOM 1020 HG22 ILE A 72 15.540 2.521 14.792 1.00 0.00 H ATOM 1021 HG23 ILE A 72 14.567 1.381 15.753 1.00 0.00 H ATOM 1022 H ILE A 72 16.609 -1.131 12.563 1.00 0.00 H ATOM 1023 N PRO A 73 18.813 0.162 15.278 1.00 49.42 N ATOM 1024 CA PRO A 73 19.869 0.477 16.198 1.00 49.57 C ATOM 1025 C PRO A 73 21.118 0.979 15.430 1.00 48.34 C ATOM 1026 O PRO A 73 21.778 1.919 15.867 1.00 44.30 O ATOM 1027 CB PRO A 73 20.122 -0.757 17.078 1.00 51.96 C ATOM 1028 CG PRO A 73 19.024 -1.738 16.635 1.00 52.10 C ATOM 1029 CD PRO A 73 18.441 -1.271 15.324 1.00 50.83 C ATOM 1030 HA PRO A 73 19.593 1.298 16.860 1.00 0.00 H ATOM 1031 HD3 PRO A 73 18.877 -1.815 14.486 1.00 0.00 H ATOM 1032 HD2 PRO A 73 17.358 -1.394 15.312 1.00 0.00 H ATOM 1033 HG3 PRO A 73 18.240 -1.774 17.391 1.00 0.00 H ATOM 1034 HG2 PRO A 73 19.452 -2.733 16.510 1.00 0.00 H ATOM 1035 HB2 PRO A 73 21.113 -1.171 16.895 1.00 0.00 H ATOM 1036 HB3 PRO A 73 20.022 -0.510 18.135 1.00 0.00 H ATOM 1037 N LEU A 74 21.431 0.465 14.249 1.00 41.98 N ATOM 1038 CA LEU A 74 22.406 0.938 13.395 1.00 40.75 C ATOM 1039 C LEU A 74 22.057 2.410 12.927 1.00 47.76 C ATOM 1040 O LEU A 74 22.979 3.292 12.992 1.00 45.51 O ATOM 1041 CB LEU A 74 22.596 0.168 12.133 1.00 30.18 C ATOM 1042 CG LEU A 74 23.652 0.659 11.170 1.00 43.92 C ATOM 1043 CD1 LEU A 74 24.946 0.976 12.019 1.00 42.24 C ATOM 1044 CD2 LEU A 74 23.993 -0.320 10.076 1.00 38.67 C ATOM 1045 HA LEU A 74 23.316 0.858 13.990 1.00 0.00 H ATOM 1046 HB2 LEU A 74 22.855 -0.854 12.409 1.00 0.00 H ATOM 1047 HB3 LEU A 74 21.644 0.169 11.603 1.00 0.00 H ATOM 1048 HG LEU A 74 23.258 1.538 10.660 1.00 0.00 H ATOM 1049 HD21 LEU A 74 24.368 -1.243 10.520 1.00 0.00 H ATOM 1050 HD22 LEU A 74 23.099 -0.534 9.490 1.00 0.00 H ATOM 1051 HD23 LEU A 74 24.758 0.111 9.430 1.00 0.00 H ATOM 1052 HD11 LEU A 74 24.715 1.742 12.759 1.00 0.00 H ATOM 1053 HD12 LEU A 74 25.279 0.069 12.524 1.00 0.00 H ATOM 1054 HD13 LEU A 74 25.734 1.335 11.357 1.00 0.00 H ATOM 1055 H LEU A 74 20.894 -0.369 13.938 1.00 0.00 H ATOM 1056 N PHE A 75 20.793 2.713 12.676 1.00 40.25 N ATOM 1057 CA PHE A 75 20.547 4.052 12.166 1.00 42.85 C ATOM 1058 C PHE A 75 20.595 5.034 13.338 1.00 40.52 C ATOM 1059 O PHE A 75 21.054 6.143 13.164 1.00 43.30 O ATOM 1060 CB PHE A 75 19.249 4.176 11.442 1.00 27.65 C ATOM 1061 CG PHE A 75 18.693 5.512 11.074 1.00 33.31 C ATOM 1062 CD1 PHE A 75 17.899 6.216 11.963 1.00 40.29 C ATOM 1063 CD2 PHE A 75 18.931 6.040 9.832 1.00 30.13 C ATOM 1064 CE1 PHE A 75 17.338 7.427 11.625 1.00 38.48 C ATOM 1065 CE2 PHE A 75 18.353 7.260 9.488 1.00 42.35 C ATOM 1066 CZ PHE A 75 17.585 7.952 10.371 1.00 33.34 C ATOM 1067 HA PHE A 75 21.323 4.279 11.435 1.00 0.00 H ATOM 1068 HB2 PHE A 75 19.360 3.620 10.511 1.00 0.00 H ATOM 1069 HB3 PHE A 75 18.499 3.690 12.066 1.00 0.00 H ATOM 1070 HD2 PHE A 75 19.566 5.511 9.121 1.00 0.00 H ATOM 1071 HE2 PHE A 75 18.520 7.668 8.491 1.00 0.00 H ATOM 1072 HZ PHE A 75 17.165 8.918 10.091 1.00 0.00 H ATOM 1073 HE1 PHE A 75 16.709 7.963 12.335 1.00 0.00 H ATOM 1074 HD1 PHE A 75 17.714 5.802 12.954 1.00 0.00 H ATOM 1075 H PHE A 75 20.022 2.033 12.834 1.00 0.00 H ATOM 1076 N ASP A 76 20.182 4.640 14.498 1.00 37.68 N ATOM 1077 CA ASP A 76 20.198 5.401 15.708 1.00 44.10 C ATOM 1078 C ASP A 76 21.634 5.704 16.189 1.00 46.41 C ATOM 1079 O ASP A 76 21.819 6.542 17.053 1.00 46.63 O ATOM 1080 CB ASP A 76 19.446 4.601 16.770 1.00 38.55 C ATOM 1081 CG ASP A 76 17.931 4.632 16.645 1.00 52.12 C ATOM 1082 OD1 ASP A 76 17.383 5.232 15.696 1.00 48.94 O ATOM 1083 OD2 ASP A 76 17.276 4.050 17.549 1.00 44.38 O ATOM 1084 HA ASP A 76 19.720 6.364 15.529 1.00 0.00 H ATOM 1085 HB2 ASP A 76 19.770 3.562 16.704 1.00 0.00 H ATOM 1086 HB3 ASP A 76 19.713 5.002 17.748 1.00 0.00 H ATOM 1087 H ASP A 76 19.801 3.674 14.557 1.00 0.00 H ATOM 1088 N SER A 77 22.652 5.013 15.695 1.00 44.42 N ATOM 1089 CA SER A 77 24.000 5.231 16.122 1.00 42.82 C ATOM 1090 C SER A 77 24.874 5.478 14.916 1.00 42.73 C ATOM 1091 O SER A 77 26.080 5.276 14.994 1.00 42.69 O ATOM 1092 CB SER A 77 24.479 4.023 16.909 1.00 38.92 C ATOM 1093 OG SER A 77 23.916 4.057 18.192 1.00 49.87 O ATOM 1094 HA SER A 77 24.054 6.107 16.769 1.00 0.00 H ATOM 1095 HB2 SER A 77 25.566 4.046 16.987 1.00 0.00 H ATOM 1096 HB3 SER A 77 24.171 3.110 16.399 1.00 0.00 H ATOM 1097 HG SER A 77 24.226 3.271 18.708 1.00 0.00 H ATOM 1098 H SER A 77 22.464 4.288 14.973 1.00 0.00 H ATOM 1099 N LEU A 78 24.246 5.891 13.811 1.00 36.07 N ATOM 1100 CA LEU A 78 25.030 6.198 12.626 1.00 38.16 C ATOM 1101 C LEU A 78 26.175 7.212 12.872 1.00 37.83 C ATOM 1102 O LEU A 78 27.147 7.178 12.119 1.00 38.81 O ATOM 1103 CB LEU A 78 24.149 6.760 11.505 1.00 29.74 C ATOM 1104 CG LEU A 78 23.835 5.908 10.283 1.00 45.19 C ATOM 1105 CD1 LEU A 78 23.457 6.823 9.133 1.00 46.54 C ATOM 1106 CD2 LEU A 78 24.888 4.910 9.848 1.00 47.30 C ATOM 1107 HA LEU A 78 25.472 5.243 12.340 1.00 0.00 H ATOM 1108 HB2 LEU A 78 23.194 7.025 11.958 1.00 0.00 H ATOM 1109 HB3 LEU A 78 24.640 7.663 11.142 1.00 0.00 H ATOM 1110 HG LEU A 78 23.007 5.269 10.591 1.00 0.00 H ATOM 1111 HD21 LEU A 78 25.810 5.439 9.607 1.00 0.00 H ATOM 1112 HD22 LEU A 78 25.074 4.204 10.657 1.00 0.00 H ATOM 1113 HD23 LEU A 78 24.535 4.372 8.968 1.00 0.00 H ATOM 1114 HD11 LEU A 78 22.581 7.410 9.410 1.00 0.00 H ATOM 1115 HD12 LEU A 78 24.289 7.492 8.914 1.00 0.00 H ATOM 1116 HD13 LEU A 78 23.230 6.223 8.252 1.00 0.00 H ATOM 1117 H LEU A 78 23.211 5.991 13.799 1.00 0.00 H ATOM 1118 N GLU A 79 26.061 8.108 13.829 1.00 36.85 N ATOM 1119 CA GLU A 79 27.114 9.055 14.187 1.00 41.73 C ATOM 1120 C GLU A 79 28.384 8.343 14.670 1.00 40.92 C ATOM 1121 O GLU A 79 29.467 8.904 14.639 1.00 46.35 O ATOM 1122 CB GLU A 79 26.652 9.932 15.380 1.00 43.56 C ATOM 1123 CG GLU A 79 25.658 10.992 15.011 1.00 74.34 C ATOM 1124 CD GLU A 79 24.191 10.871 15.347 1.00 88.91 C ATOM 1125 OE1 GLU A 79 23.708 9.776 15.739 1.00 87.88 O ATOM 1126 OE2 GLU A 79 23.508 11.938 15.211 1.00 90.37 O ATOM 1127 HA GLU A 79 27.318 9.640 13.290 1.00 0.00 H ATOM 1128 HB2 GLU A 79 26.198 9.282 16.128 1.00 0.00 H ATOM 1129 HB3 GLU A 79 27.529 10.418 15.808 1.00 0.00 H ATOM 1130 HG2 GLU A 79 26.004 11.911 15.484 1.00 0.00 H ATOM 1131 HG3 GLU A 79 25.714 11.098 13.928 1.00 0.00 H ATOM 1132 H GLU A 79 25.169 8.144 14.362 1.00 0.00 H ATOM 1133 N GLU A 80 28.311 7.121 15.144 1.00 41.90 N ATOM 1134 CA GLU A 80 29.434 6.359 15.656 1.00 41.67 C ATOM 1135 C GLU A 80 30.021 5.375 14.692 1.00 41.99 C ATOM 1136 O GLU A 80 30.792 4.548 15.222 1.00 45.22 O ATOM 1137 CB GLU A 80 28.991 5.538 16.860 1.00 37.54 C ATOM 1138 CG GLU A 80 28.488 6.472 17.977 1.00 48.61 C ATOM 1139 CD GLU A 80 28.131 5.629 19.182 1.00 66.33 C ATOM 1140 OE1 GLU A 80 28.129 4.375 19.075 1.00 72.38 O ATOM 1141 OE2 GLU A 80 27.849 6.211 20.246 1.00 74.44 O ATOM 1142 HA GLU A 80 30.188 7.111 15.887 1.00 0.00 H ATOM 1143 HB2 GLU A 80 28.187 4.865 16.562 1.00 0.00 H ATOM 1144 HB3 GLU A 80 29.834 4.954 17.229 1.00 0.00 H ATOM 1145 HG2 GLU A 80 29.271 7.182 18.243 1.00 0.00 H ATOM 1146 HG3 GLU A 80 27.608 7.015 17.634 1.00 0.00 H ATOM 1147 H GLU A 80 27.377 6.664 15.153 1.00 0.00 H ATOM 1148 N THR A 81 29.721 5.489 13.408 1.00 39.37 N ATOM 1149 CA THR A 81 30.260 4.466 12.518 1.00 38.95 C ATOM 1150 C THR A 81 31.511 4.865 11.776 1.00 38.07 C ATOM 1151 O THR A 81 32.237 3.967 11.316 1.00 37.34 O ATOM 1152 CB THR A 81 29.211 4.155 11.416 1.00 47.40 C ATOM 1153 OG1 THR A 81 28.758 5.360 10.730 1.00 42.47 O ATOM 1154 CG2 THR A 81 28.017 3.490 12.070 1.00 50.77 C ATOM 1155 HA THR A 81 30.497 3.624 13.169 1.00 0.00 H ATOM 1156 HB THR A 81 29.678 3.506 10.675 1.00 0.00 H ATOM 1157 HG1 THR A 81 28.343 5.975 11.385 1.00 0.00 H ATOM 1158 HG23 THR A 81 28.343 2.587 12.586 1.00 0.00 H ATOM 1159 HG21 THR A 81 27.567 4.177 12.786 1.00 0.00 H ATOM 1160 HG22 THR A 81 27.285 3.229 11.306 1.00 0.00 H ATOM 1161 H THR A 81 29.131 6.268 13.052 1.00 0.00 H ATOM 1162 N GLY A 82 31.732 6.183 11.599 1.00 35.39 N ATOM 1163 CA GLY A 82 32.900 6.605 10.844 1.00 33.12 C ATOM 1164 C GLY A 82 32.574 7.000 9.430 1.00 35.05 C ATOM 1165 O GLY A 82 33.333 6.676 8.497 1.00 36.10 O ATOM 1166 HA3 GLY A 82 33.614 5.782 10.819 1.00 0.00 H ATOM 1167 HA2 GLY A 82 33.350 7.460 11.349 1.00 0.00 H ATOM 1168 H GLY A 82 31.077 6.887 11.996 1.00 0.00 H ATOM 1169 N ALA A 83 31.375 7.581 9.286 1.00 37.18 N ATOM 1170 CA ALA A 83 30.813 7.986 8.011 1.00 40.92 C ATOM 1171 C ALA A 83 31.444 9.256 7.452 1.00 43.28 C ATOM 1172 O ALA A 83 31.255 9.611 6.299 1.00 38.41 O ATOM 1173 CB ALA A 83 29.300 8.329 8.230 1.00 29.71 C ATOM 1174 HA ALA A 83 30.988 7.163 7.317 1.00 0.00 H ATOM 1175 HB1 ALA A 83 28.780 7.448 8.607 1.00 0.00 H ATOM 1176 HB2 ALA A 83 29.214 9.140 8.953 1.00 0.00 H ATOM 1177 HB3 ALA A 83 28.858 8.636 7.282 1.00 0.00 H ATOM 1178 H ALA A 83 30.811 7.753 10.143 1.00 0.00 H ATOM 1179 N GLN A 84 32.027 10.092 8.309 1.00 42.03 N ATOM 1180 CA GLN A 84 32.646 11.349 7.966 1.00 42.57 C ATOM 1181 C GLN A 84 33.550 11.165 6.780 1.00 38.56 C ATOM 1182 O GLN A 84 34.369 10.298 6.998 1.00 40.24 O ATOM 1183 CB GLN A 84 33.572 11.835 9.096 1.00 63.66 C ATOM 1184 CG GLN A 84 34.187 13.192 8.815 1.00 76.69 C ATOM 1185 CD GLN A 84 33.404 14.265 9.571 1.00 84.45 C ATOM 1186 OE1 GLN A 84 32.176 14.319 9.588 1.00 81.24 O ATOM 1187 NE2 GLN A 84 34.181 15.117 10.226 1.00 68.64 N ATOM 1188 HA GLN A 84 31.839 12.056 7.776 1.00 0.00 H ATOM 1189 HB2 GLN A 84 32.992 11.900 10.017 1.00 0.00 H ATOM 1190 HB3 GLN A 84 34.375 11.109 9.224 1.00 0.00 H ATOM 1191 HG2 GLN A 84 35.226 13.197 9.146 1.00 0.00 H ATOM 1192 HG3 GLN A 84 34.146 13.396 7.745 1.00 0.00 H ATOM 1193 HE22 GLN A 84 35.215 15.022 10.175 1.00 0.00 H ATOM 1194 HE21 GLN A 84 33.756 15.880 10.791 1.00 0.00 H ATOM 1195 H GLN A 84 32.037 9.815 9.311 1.00 0.00 H ATOM 1196 N GLY A 85 33.485 11.838 5.638 1.00 35.71 N ATOM 1197 CA GLY A 85 34.428 11.458 4.592 1.00 39.64 C ATOM 1198 C GLY A 85 34.313 10.087 3.961 1.00 41.03 C ATOM 1199 O GLY A 85 35.110 9.751 3.034 1.00 43.67 O ATOM 1200 HA3 GLY A 85 35.427 11.529 5.022 1.00 0.00 H ATOM 1201 HA2 GLY A 85 34.326 12.189 3.789 1.00 0.00 H ATOM 1202 H GLY A 85 32.793 12.601 5.495 1.00 0.00 H ATOM 1203 N ARG A 86 33.429 9.211 4.397 1.00 39.40 N ATOM 1204 CA ARG A 86 33.302 7.860 3.805 1.00 39.12 C ATOM 1205 C ARG A 86 32.507 7.801 2.517 1.00 35.78 C ATOM 1206 O ARG A 86 31.482 8.503 2.435 1.00 39.25 O ATOM 1207 CB ARG A 86 32.473 7.038 4.814 1.00 46.44 C ATOM 1208 CG ARG A 86 32.548 5.541 4.714 1.00 38.82 C ATOM 1209 CD ARG A 86 33.980 5.071 4.964 1.00 32.93 C ATOM 1210 NE ARG A 86 34.261 5.282 6.405 1.00 33.41 N ATOM 1211 CZ ARG A 86 35.476 4.915 6.900 1.00 35.30 C ATOM 1212 NH1 ARG A 86 36.372 4.374 6.071 1.00 21.42 N ATOM 1213 NH2 ARG A 86 35.678 5.100 8.186 1.00 34.57 N ATOM 1214 HA ARG A 86 34.312 7.507 3.595 1.00 0.00 H ATOM 1215 HB2 ARG A 86 32.806 7.316 5.814 1.00 0.00 H ATOM 1216 HB3 ARG A 86 31.428 7.322 4.688 1.00 0.00 H ATOM 1217 HG2 ARG A 86 31.887 5.096 5.457 1.00 0.00 H ATOM 1218 HG3 ARG A 86 32.234 5.229 3.718 1.00 0.00 H ATOM 1219 HD2 ARG A 86 34.676 5.651 4.358 1.00 0.00 H ATOM 1220 HD3 ARG A 86 34.076 4.014 4.714 1.00 0.00 H ATOM 1221 HE ARG A 86 33.542 5.703 7.027 1.00 0.00 H ATOM 1222 HH12 ARG A 86 37.305 4.087 6.429 1.00 0.00 H ATOM 1223 HH11 ARG A 86 36.137 4.239 5.067 1.00 0.00 H ATOM 1224 HH22 ARG A 86 36.589 4.836 8.613 1.00 0.00 H ATOM 1225 HH21 ARG A 86 34.927 5.510 8.777 1.00 0.00 H ATOM 1226 H ARG A 86 32.801 9.478 5.182 1.00 0.00 H ATOM 1227 N LYS A 87 33.134 7.337 1.454 1.00 34.67 N ATOM 1228 CA LYS A 87 32.366 7.068 0.239 1.00 38.10 C ATOM 1229 C LYS A 87 31.275 6.076 0.594 1.00 43.87 C ATOM 1230 O LYS A 87 31.473 4.920 0.989 1.00 48.56 O ATOM 1231 CB LYS A 87 33.234 6.569 -0.896 1.00 42.02 C ATOM 1232 CG LYS A 87 34.084 7.711 -1.424 1.00 45.14 C ATOM 1233 CD LYS A 87 35.136 7.166 -2.385 1.00 47.56 C ATOM 1234 CE LYS A 87 35.679 8.309 -3.260 1.00 52.76 C ATOM 1235 NZ LYS A 87 35.513 9.652 -2.617 1.00 52.52 N ATOM 1236 HA LYS A 87 31.926 7.996 -0.126 1.00 0.00 H ATOM 1237 HB2 LYS A 87 33.882 5.771 -0.534 1.00 0.00 H ATOM 1238 HB3 LYS A 87 32.601 6.187 -1.697 1.00 0.00 H ATOM 1239 HG2 LYS A 87 33.448 8.424 -1.949 1.00 0.00 H ATOM 1240 HG3 LYS A 87 34.578 8.211 -0.591 1.00 0.00 H ATOM 1241 HD2 LYS A 87 35.954 6.725 -1.815 1.00 0.00 H ATOM 1242 HD3 LYS A 87 34.686 6.404 -3.022 1.00 0.00 H ATOM 1243 HE2 LYS A 87 35.144 8.307 -4.210 1.00 0.00 H ATOM 1244 HE3 LYS A 87 36.740 8.137 -3.442 1.00 0.00 H ATOM 1245 HZ1 LYS A 87 34.503 9.831 -2.446 1.00 0.00 H ATOM 1246 HZ2 LYS A 87 36.027 9.668 -1.713 1.00 0.00 H ATOM 1247 HZ3 LYS A 87 35.895 10.386 -3.247 1.00 0.00 H ATOM 1248 H LYS A 87 34.159 7.165 1.479 1.00 0.00 H ATOM 1249 N VAL A 88 30.059 6.478 0.377 1.00 43.04 N ATOM 1250 CA VAL A 88 28.813 5.834 0.712 1.00 42.30 C ATOM 1251 C VAL A 88 27.804 5.925 -0.419 1.00 42.59 C ATOM 1252 O VAL A 88 27.899 6.796 -1.272 1.00 36.05 O ATOM 1253 CB VAL A 88 28.366 6.542 1.997 1.00 45.93 C ATOM 1254 CG1 VAL A 88 26.936 7.060 1.962 1.00 56.69 C ATOM 1255 CG2 VAL A 88 28.684 5.835 3.288 1.00 40.12 C ATOM 1256 HA VAL A 88 28.915 4.760 0.867 1.00 0.00 H ATOM 1257 HB VAL A 88 29.015 7.418 2.002 1.00 0.00 H ATOM 1258 HG11 VAL A 88 26.831 7.778 1.149 1.00 0.00 H ATOM 1259 HG12 VAL A 88 26.253 6.226 1.803 1.00 0.00 H ATOM 1260 HG13 VAL A 88 26.704 7.546 2.910 1.00 0.00 H ATOM 1261 HG21 VAL A 88 28.198 4.859 3.296 1.00 0.00 H ATOM 1262 HG22 VAL A 88 29.763 5.706 3.374 1.00 0.00 H ATOM 1263 HG23 VAL A 88 28.320 6.430 4.126 1.00 0.00 H ATOM 1264 H VAL A 88 29.972 7.394 -0.107 1.00 0.00 H ATOM 1265 N ALA A 89 26.894 4.936 -0.422 1.00 39.96 N ATOM 1266 CA ALA A 89 25.759 4.792 -1.321 1.00 39.40 C ATOM 1267 C ALA A 89 24.757 3.819 -0.660 1.00 41.00 C ATOM 1268 O ALA A 89 25.145 2.943 0.109 1.00 43.50 O ATOM 1269 CB ALA A 89 26.087 4.330 -2.719 1.00 42.70 C ATOM 1270 HA ALA A 89 25.343 5.790 -1.463 1.00 0.00 H ATOM 1271 HB1 ALA A 89 26.761 5.047 -3.188 1.00 0.00 H ATOM 1272 HB2 ALA A 89 26.568 3.353 -2.674 1.00 0.00 H ATOM 1273 HB3 ALA A 89 25.168 4.258 -3.301 1.00 0.00 H ATOM 1274 H ALA A 89 27.014 4.193 0.296 1.00 0.00 H ATOM 1275 N CYS A 90 23.481 4.010 -0.892 1.00 29.13 N ATOM 1276 CA CYS A 90 22.309 3.514 -0.247 1.00 30.90 C ATOM 1277 C CYS A 90 21.202 2.871 -1.135 1.00 35.05 C ATOM 1278 O CYS A 90 21.274 3.060 -2.355 1.00 31.14 O ATOM 1279 CB CYS A 90 21.590 4.540 0.626 1.00 30.56 C ATOM 1280 SG CYS A 90 22.562 5.352 1.906 1.00 38.46 S ATOM 1281 HA CYS A 90 22.778 2.724 0.339 1.00 0.00 H ATOM 1282 HB2 CYS A 90 20.761 4.031 1.117 1.00 0.00 H ATOM 1283 HB3 CYS A 90 21.200 5.316 -0.032 1.00 0.00 H ATOM 1284 HG CYS A 90 21.762 6.241 2.595 1.00 0.00 H ATOM 1285 H CYS A 90 23.287 4.641 -1.696 1.00 0.00 H ATOM 1286 N PHE A 91 20.610 1.742 -0.663 1.00 36.01 N ATOM 1287 CA PHE A 91 19.728 0.986 -1.504 1.00 35.71 C ATOM 1288 C PHE A 91 18.630 0.439 -0.622 1.00 40.68 C ATOM 1289 O PHE A 91 18.879 0.290 0.580 1.00 33.94 O ATOM 1290 CB PHE A 91 20.359 -0.077 -2.399 1.00 42.61 C ATOM 1291 CG PHE A 91 20.939 -1.243 -1.642 1.00 36.50 C ATOM 1292 CD1 PHE A 91 20.241 -2.370 -1.245 1.00 37.07 C ATOM 1293 CD2 PHE A 91 22.287 -1.185 -1.265 1.00 37.91 C ATOM 1294 CE1 PHE A 91 20.856 -3.388 -0.505 1.00 33.90 C ATOM 1295 CE2 PHE A 91 22.912 -2.083 -0.449 1.00 39.46 C ATOM 1296 CZ PHE A 91 22.195 -3.256 -0.113 1.00 46.51 C ATOM 1297 HA PHE A 91 19.339 1.671 -2.257 1.00 0.00 H ATOM 1298 HB2 PHE A 91 19.594 -0.454 -3.077 1.00 0.00 H ATOM 1299 HB3 PHE A 91 21.157 0.389 -2.977 1.00 0.00 H ATOM 1300 HD2 PHE A 91 22.883 -0.359 -1.653 1.00 0.00 H ATOM 1301 HE2 PHE A 91 23.919 -1.905 -0.073 1.00 0.00 H ATOM 1302 HZ PHE A 91 22.682 -4.053 0.448 1.00 0.00 H ATOM 1303 HE1 PHE A 91 20.294 -4.282 -0.234 1.00 0.00 H ATOM 1304 HD1 PHE A 91 19.189 -2.468 -1.514 1.00 0.00 H ATOM 1305 H PHE A 91 20.797 1.426 0.310 1.00 0.00 H ATOM 1306 N GLY A 92 17.569 -0.084 -1.308 1.00 37.16 N ATOM 1307 CA GLY A 92 16.449 -0.570 -0.487 1.00 37.51 C ATOM 1308 C GLY A 92 15.247 -0.967 -1.399 1.00 41.60 C ATOM 1309 O GLY A 92 15.263 -0.684 -2.607 1.00 40.27 O ATOM 1310 HA3 GLY A 92 16.137 0.217 0.199 1.00 0.00 H ATOM 1311 HA2 GLY A 92 16.772 -1.441 0.084 1.00 0.00 H ATOM 1312 H GLY A 92 17.555 -0.135 -2.347 1.00 0.00 H ATOM 1313 N CYS A 93 14.494 -1.954 -0.909 1.00 32.18 N ATOM 1314 CA CYS A 93 13.356 -2.446 -1.705 1.00 40.26 C ATOM 1315 C CYS A 93 12.106 -1.923 -1.034 1.00 39.99 C ATOM 1316 O CYS A 93 12.115 -1.814 0.190 1.00 37.73 O ATOM 1317 CB CYS A 93 13.255 -4.016 -1.615 1.00 23.76 C ATOM 1318 SG CYS A 93 14.566 -4.667 -2.667 1.00 32.57 S ATOM 1319 HA CYS A 93 13.474 -2.131 -2.742 1.00 0.00 H ATOM 1320 HB2 CYS A 93 12.282 -4.353 -1.972 1.00 0.00 H ATOM 1321 HB3 CYS A 93 13.398 -4.346 -0.586 1.00 0.00 H ATOM 1322 HG CYS A 93 14.537 -6.046 -2.636 1.00 0.00 H ATOM 1323 H CYS A 93 14.707 -2.369 0.020 1.00 0.00 H ATOM 1324 N GLY A 94 11.056 -1.713 -1.808 1.00 44.13 N ATOM 1325 CA GLY A 94 9.754 -1.388 -1.185 1.00 43.22 C ATOM 1326 C GLY A 94 8.666 -1.369 -2.284 1.00 47.31 C ATOM 1327 O GLY A 94 8.788 -2.047 -3.298 1.00 44.35 O ATOM 1328 HA3 GLY A 94 9.810 -0.410 -0.708 1.00 0.00 H ATOM 1329 HA2 GLY A 94 9.507 -2.142 -0.438 1.00 0.00 H ATOM 1330 H GLY A 94 11.144 -1.775 -2.842 1.00 0.00 H ATOM 1331 N GLU A 95 7.581 -0.656 -1.997 1.00 45.55 N ATOM 1332 CA GLU A 95 6.388 -0.661 -2.869 1.00 50.22 C ATOM 1333 C GLU A 95 5.866 0.760 -3.155 1.00 47.60 C ATOM 1334 O GLU A 95 5.785 1.594 -2.233 1.00 38.09 O ATOM 1335 CB GLU A 95 5.275 -1.411 -2.147 1.00 42.86 C ATOM 1336 CG GLU A 95 5.332 -2.897 -2.050 1.00 46.10 C ATOM 1337 CD GLU A 95 5.412 -3.625 -3.365 1.00 53.10 C ATOM 1338 OE1 GLU A 95 5.057 -3.135 -4.454 1.00 65.01 O ATOM 1339 OE2 GLU A 95 5.864 -4.793 -3.312 1.00 68.03 O ATOM 1340 HA GLU A 95 6.669 -1.127 -3.813 1.00 0.00 H ATOM 1341 HB2 GLU A 95 5.244 -1.028 -1.127 1.00 0.00 H ATOM 1342 HB3 GLU A 95 4.344 -1.162 -2.655 1.00 0.00 H ATOM 1343 HG2 GLU A 95 6.211 -3.163 -1.464 1.00 0.00 H ATOM 1344 HG3 GLU A 95 4.435 -3.236 -1.531 1.00 0.00 H ATOM 1345 H GLU A 95 7.572 -0.077 -1.133 1.00 0.00 H ATOM 1346 N SER A 96 5.769 1.158 -4.417 1.00 50.36 N ATOM 1347 CA SER A 96 5.480 2.609 -4.674 1.00 53.94 C ATOM 1348 C SER A 96 4.092 3.065 -4.285 1.00 58.28 C ATOM 1349 O SER A 96 3.739 4.227 -4.522 1.00 62.77 O ATOM 1350 CB SER A 96 5.640 2.848 -6.167 1.00 56.33 C ATOM 1351 OG SER A 96 5.520 1.708 -7.006 1.00 50.90 O ATOM 1352 HA SER A 96 6.174 3.177 -4.055 1.00 0.00 H ATOM 1353 HB2 SER A 96 6.628 3.278 -6.330 1.00 0.00 H ATOM 1354 HB3 SER A 96 4.878 3.566 -6.472 1.00 0.00 H ATOM 1355 HG SER A 96 6.213 1.045 -6.761 1.00 0.00 H ATOM 1356 H SER A 96 5.889 0.487 -5.202 1.00 0.00 H ATOM 1357 N SER A 97 3.209 2.275 -3.708 1.00 57.41 N ATOM 1358 CA SER A 97 1.847 2.596 -3.369 1.00 61.04 C ATOM 1359 C SER A 97 1.860 3.186 -1.969 1.00 61.81 C ATOM 1360 O SER A 97 0.921 3.876 -1.574 1.00 61.79 O ATOM 1361 CB SER A 97 0.861 1.443 -3.452 1.00 56.60 C ATOM 1362 OG SER A 97 1.373 0.337 -2.718 1.00 72.65 O ATOM 1363 HA SER A 97 1.485 3.300 -4.118 1.00 0.00 H ATOM 1364 HB2 SER A 97 0.722 1.156 -4.494 1.00 0.00 H ATOM 1365 HB3 SER A 97 -0.096 1.750 -3.030 1.00 0.00 H ATOM 1366 HG SER A 97 0.733 -0.417 -2.770 1.00 0.00 H ATOM 1367 H SER A 97 3.531 1.315 -3.472 1.00 0.00 H ATOM 1368 N TYR A 98 3.004 2.914 -1.321 1.00 59.75 N ATOM 1369 CA TYR A 98 3.107 3.585 -0.008 1.00 59.02 C ATOM 1370 C TYR A 98 3.450 5.061 -0.255 1.00 55.36 C ATOM 1371 O TYR A 98 4.037 5.561 -1.217 1.00 51.81 O ATOM 1372 CB TYR A 98 4.026 2.845 0.941 1.00 57.16 C ATOM 1373 CG TYR A 98 3.386 1.699 1.635 1.00 55.27 C ATOM 1374 CD1 TYR A 98 3.471 0.526 0.859 1.00 58.06 C ATOM 1375 CD2 TYR A 98 2.816 1.554 2.879 1.00 54.19 C ATOM 1376 CE1 TYR A 98 3.000 -0.716 1.278 1.00 55.83 C ATOM 1377 CE2 TYR A 98 2.324 0.344 3.339 1.00 50.35 C ATOM 1378 CZ TYR A 98 2.390 -0.757 2.517 1.00 54.97 C ATOM 1379 OH TYR A 98 1.939 -2.005 2.926 1.00 55.92 O ATOM 1380 HA TYR A 98 2.154 3.562 0.521 1.00 0.00 H ATOM 1381 HB3 TYR A 98 4.378 3.549 1.695 1.00 0.00 H ATOM 1382 HB2 TYR A 98 4.876 2.469 0.371 1.00 0.00 H ATOM 1383 HD2 TYR A 98 2.749 2.427 3.529 1.00 0.00 H ATOM 1384 HE2 TYR A 98 1.891 0.265 4.336 1.00 0.00 H ATOM 1385 HE1 TYR A 98 3.107 -1.608 0.661 1.00 0.00 H ATOM 1386 HD1 TYR A 98 3.932 0.595 -0.126 1.00 0.00 H ATOM 1387 HH TYR A 98 0.976 -1.950 3.148 1.00 0.00 H ATOM 1388 H TYR A 98 3.744 2.293 -1.705 1.00 0.00 H ATOM 1389 N GLU A 99 3.011 5.917 0.643 1.00 55.08 N ATOM 1390 CA GLU A 99 3.267 7.361 0.613 1.00 56.25 C ATOM 1391 C GLU A 99 4.754 7.659 0.452 1.00 60.14 C ATOM 1392 O GLU A 99 5.276 8.440 -0.343 1.00 64.07 O ATOM 1393 CB GLU A 99 2.776 7.766 2.009 1.00 44.41 C ATOM 1394 CG GLU A 99 3.177 9.205 2.298 1.00 65.61 C ATOM 1395 CD GLU A 99 2.329 9.834 3.375 1.00 66.79 C ATOM 1396 OE1 GLU A 99 1.710 9.072 4.135 1.00 65.00 O ATOM 1397 OE2 GLU A 99 2.274 11.081 3.488 1.00 80.68 O ATOM 1398 HA GLU A 99 2.786 7.886 -0.212 1.00 0.00 H ATOM 1399 HB2 GLU A 99 1.690 7.677 2.051 1.00 0.00 H ATOM 1400 HB3 GLU A 99 3.223 7.109 2.755 1.00 0.00 H ATOM 1401 HG2 GLU A 99 4.219 9.221 2.619 1.00 0.00 H ATOM 1402 HG3 GLU A 99 3.071 9.788 1.383 1.00 0.00 H ATOM 1403 H GLU A 99 2.442 5.543 1.430 1.00 0.00 H ATOM 1404 N TYR A 100 5.500 6.934 1.299 1.00 54.94 N ATOM 1405 CA TYR A 100 6.943 6.977 1.387 1.00 53.85 C ATOM 1406 C TYR A 100 7.671 5.874 0.659 1.00 49.65 C ATOM 1407 O TYR A 100 8.119 4.907 1.291 1.00 51.61 O ATOM 1408 CB TYR A 100 7.400 6.975 2.863 1.00 56.67 C ATOM 1409 CG TYR A 100 6.892 8.224 3.566 1.00 64.32 C ATOM 1410 CD1 TYR A 100 7.270 9.521 3.227 1.00 66.13 C ATOM 1411 CD2 TYR A 100 5.980 8.069 4.596 1.00 64.00 C ATOM 1412 CE1 TYR A 100 6.760 10.614 3.902 1.00 69.55 C ATOM 1413 CE2 TYR A 100 5.466 9.149 5.264 1.00 64.96 C ATOM 1414 CZ TYR A 100 5.849 10.422 4.921 1.00 67.58 C ATOM 1415 OH TYR A 100 5.305 11.460 5.644 1.00 65.10 O ATOM 1416 HA TYR A 100 7.211 7.907 0.885 1.00 0.00 H ATOM 1417 HB3 TYR A 100 8.489 6.955 2.904 1.00 0.00 H ATOM 1418 HB2 TYR A 100 7.002 6.092 3.363 1.00 0.00 H ATOM 1419 HD2 TYR A 100 5.664 7.066 4.882 1.00 0.00 H ATOM 1420 HE2 TYR A 100 4.750 8.997 6.071 1.00 0.00 H ATOM 1421 HE1 TYR A 100 7.075 11.622 3.631 1.00 0.00 H ATOM 1422 HD1 TYR A 100 7.980 9.677 2.415 1.00 0.00 H ATOM 1423 HH TYR A 100 5.658 12.319 5.302 1.00 0.00 H ATOM 1424 H TYR A 100 5.001 6.289 1.944 1.00 0.00 H ATOM 1425 N PHE A 101 7.659 5.866 -0.664 1.00 48.67 N ATOM 1426 CA PHE A 101 8.346 4.848 -1.447 1.00 49.97 C ATOM 1427 C PHE A 101 9.862 4.809 -1.172 1.00 49.35 C ATOM 1428 O PHE A 101 10.504 5.862 -1.017 1.00 46.89 O ATOM 1429 CB PHE A 101 8.019 5.086 -2.914 1.00 33.54 C ATOM 1430 CG PHE A 101 8.855 4.137 -3.738 1.00 38.28 C ATOM 1431 CD1 PHE A 101 8.757 2.783 -3.460 1.00 35.53 C ATOM 1432 CD2 PHE A 101 9.666 4.613 -4.734 1.00 30.64 C ATOM 1433 CE1 PHE A 101 9.482 1.866 -4.219 1.00 44.81 C ATOM 1434 CE2 PHE A 101 10.389 3.696 -5.475 1.00 46.51 C ATOM 1435 CZ PHE A 101 10.312 2.326 -5.204 1.00 47.65 C ATOM 1436 HA PHE A 101 7.992 3.860 -1.152 1.00 0.00 H ATOM 1437 HB2 PHE A 101 6.960 4.898 -3.093 1.00 0.00 H ATOM 1438 HB3 PHE A 101 8.254 6.116 -3.183 1.00 0.00 H ATOM 1439 HD2 PHE A 101 9.739 5.682 -4.936 1.00 0.00 H ATOM 1440 HE2 PHE A 101 11.030 4.047 -6.284 1.00 0.00 H ATOM 1441 HZ PHE A 101 10.915 1.623 -5.779 1.00 0.00 H ATOM 1442 HE1 PHE A 101 9.389 0.797 -4.030 1.00 0.00 H ATOM 1443 HD1 PHE A 101 8.115 2.436 -2.650 1.00 0.00 H ATOM 1444 H PHE A 101 7.139 6.615 -1.164 1.00 0.00 H ATOM 1445 N CYS A 102 10.395 3.654 -0.778 1.00 49.44 N ATOM 1446 CA CYS A 102 11.705 3.432 -0.227 1.00 46.03 C ATOM 1447 C CYS A 102 12.178 4.594 0.670 1.00 46.84 C ATOM 1448 O CYS A 102 13.326 5.034 0.609 1.00 44.31 O ATOM 1449 CB CYS A 102 12.779 3.165 -1.270 1.00 38.85 C ATOM 1450 SG CYS A 102 12.499 1.556 -2.099 1.00 39.68 S ATOM 1451 HA CYS A 102 11.579 2.531 0.373 1.00 0.00 H ATOM 1452 HB2 CYS A 102 13.754 3.151 -0.783 1.00 0.00 H ATOM 1453 HB3 CYS A 102 12.758 3.960 -2.016 1.00 0.00 H ATOM 1454 HG CYS A 102 13.489 1.345 -3.037 1.00 0.00 H ATOM 1455 H CYS A 102 9.793 2.813 -0.881 1.00 0.00 H ATOM 1456 N GLY A 103 11.355 5.104 1.568 1.00 40.43 N ATOM 1457 CA GLY A 103 11.539 5.998 2.609 1.00 45.63 C ATOM 1458 C GLY A 103 12.774 5.791 3.471 1.00 49.05 C ATOM 1459 O GLY A 103 13.234 6.752 4.081 1.00 44.37 O ATOM 1460 HA3 GLY A 103 10.667 5.934 3.259 1.00 0.00 H ATOM 1461 HA2 GLY A 103 11.598 6.998 2.180 1.00 0.00 H ATOM 1462 H GLY A 103 10.375 4.768 1.475 1.00 0.00 H ATOM 1463 N ALA A 104 13.090 4.532 3.778 1.00 49.20 N ATOM 1464 CA ALA A 104 14.265 4.253 4.610 1.00 49.63 C ATOM 1465 C ALA A 104 15.505 4.699 3.831 1.00 47.13 C ATOM 1466 O ALA A 104 16.436 5.196 4.419 1.00 46.48 O ATOM 1467 CB ALA A 104 14.295 2.769 4.862 1.00 43.78 C ATOM 1468 HA ALA A 104 14.235 4.781 5.563 1.00 0.00 H ATOM 1469 HB1 ALA A 104 13.382 2.471 5.377 1.00 0.00 H ATOM 1470 HB2 ALA A 104 14.366 2.242 3.911 1.00 0.00 H ATOM 1471 HB3 ALA A 104 15.159 2.524 5.480 1.00 0.00 H ATOM 1472 H ALA A 104 12.503 3.748 3.427 1.00 0.00 H ATOM 1473 N VAL A 105 15.527 4.475 2.523 1.00 47.80 N ATOM 1474 CA VAL A 105 16.656 4.875 1.695 1.00 50.48 C ATOM 1475 C VAL A 105 16.836 6.394 1.839 1.00 53.39 C ATOM 1476 O VAL A 105 17.952 6.906 1.964 1.00 49.16 O ATOM 1477 CB VAL A 105 16.411 4.545 0.217 1.00 45.27 C ATOM 1478 CG1 VAL A 105 17.602 4.897 -0.662 1.00 39.28 C ATOM 1479 CG2 VAL A 105 15.994 3.070 0.102 1.00 40.07 C ATOM 1480 HA VAL A 105 17.544 4.334 2.022 1.00 0.00 H ATOM 1481 HB VAL A 105 15.598 5.166 -0.159 1.00 0.00 H ATOM 1482 HG11 VAL A 105 17.806 5.965 -0.585 1.00 0.00 H ATOM 1483 HG12 VAL A 105 18.475 4.334 -0.331 1.00 0.00 H ATOM 1484 HG13 VAL A 105 17.375 4.643 -1.698 1.00 0.00 H ATOM 1485 HG21 VAL A 105 16.789 2.437 0.496 1.00 0.00 H ATOM 1486 HG22 VAL A 105 15.081 2.906 0.674 1.00 0.00 H ATOM 1487 HG23 VAL A 105 15.817 2.824 -0.945 1.00 0.00 H ATOM 1488 H VAL A 105 14.716 4.001 2.077 1.00 0.00 H ATOM 1489 N ASP A 106 15.715 7.134 1.838 1.00 51.42 N ATOM 1490 CA ASP A 106 15.814 8.562 2.000 1.00 51.92 C ATOM 1491 C ASP A 106 16.311 8.983 3.395 1.00 48.25 C ATOM 1492 O ASP A 106 17.073 9.932 3.462 1.00 43.68 O ATOM 1493 CB ASP A 106 14.566 9.426 1.771 1.00 52.58 C ATOM 1494 CG ASP A 106 13.882 9.162 0.456 1.00 48.40 C ATOM 1495 OD1 ASP A 106 14.578 8.920 -0.553 1.00 53.51 O ATOM 1496 OD2 ASP A 106 12.634 9.100 0.429 1.00 54.97 O ATOM 1497 HA ASP A 106 16.517 8.757 1.190 1.00 0.00 H ATOM 1498 HB2 ASP A 106 13.857 9.227 2.574 1.00 0.00 H ATOM 1499 HB3 ASP A 106 14.862 10.475 1.801 1.00 0.00 H ATOM 1500 H ASP A 106 14.786 6.681 1.722 1.00 0.00 H ATOM 1501 N ALA A 107 15.834 8.361 4.457 1.00 43.73 N ATOM 1502 CA ALA A 107 16.232 8.717 5.779 1.00 42.88 C ATOM 1503 C ALA A 107 17.684 8.309 6.037 1.00 48.39 C ATOM 1504 O ALA A 107 18.375 9.084 6.737 1.00 45.88 O ATOM 1505 CB ALA A 107 15.226 8.214 6.778 1.00 36.43 C ATOM 1506 HA ALA A 107 16.231 9.800 5.899 1.00 0.00 H ATOM 1507 HB1 ALA A 107 14.253 8.657 6.566 1.00 0.00 H ATOM 1508 HB2 ALA A 107 15.156 7.129 6.706 1.00 0.00 H ATOM 1509 HB3 ALA A 107 15.543 8.493 7.783 1.00 0.00 H ATOM 1510 H ALA A 107 15.149 7.590 4.326 1.00 0.00 H ATOM 1511 N ILE A 108 18.229 7.312 5.339 1.00 46.37 N ATOM 1512 CA ILE A 108 19.639 6.995 5.602 1.00 48.44 C ATOM 1513 C ILE A 108 20.588 7.923 4.847 1.00 47.31 C ATOM 1514 O ILE A 108 21.561 8.467 5.392 1.00 36.35 O ATOM 1515 CB ILE A 108 19.920 5.523 5.338 1.00 39.42 C ATOM 1516 CG1 ILE A 108 19.192 4.852 6.524 1.00 40.90 C ATOM 1517 CG2 ILE A 108 21.412 5.142 5.265 1.00 27.02 C ATOM 1518 CD1 ILE A 108 18.649 3.507 6.043 1.00 27.59 C ATOM 1519 HA ILE A 108 19.831 7.175 6.660 1.00 0.00 H ATOM 1520 HB ILE A 108 19.576 5.208 4.353 1.00 0.00 H ATOM 1521 HG12 ILE A 108 19.890 4.697 7.347 1.00 0.00 H ATOM 1522 HG13 ILE A 108 18.370 5.484 6.860 1.00 0.00 H ATOM 1523 HD11 ILE A 108 17.956 3.671 5.218 1.00 0.00 H ATOM 1524 HD12 ILE A 108 19.476 2.882 5.706 1.00 0.00 H ATOM 1525 HD13 ILE A 108 18.129 3.012 6.863 1.00 0.00 H ATOM 1526 HG21 ILE A 108 21.889 5.699 4.458 1.00 0.00 H ATOM 1527 HG22 ILE A 108 21.895 5.386 6.211 1.00 0.00 H ATOM 1528 HG23 ILE A 108 21.504 4.073 5.074 1.00 0.00 H ATOM 1529 H ILE A 108 17.677 6.780 4.636 1.00 0.00 H ATOM 1530 N GLU A 109 20.254 8.109 3.581 1.00 43.51 N ATOM 1531 CA GLU A 109 21.046 9.060 2.795 1.00 50.95 C ATOM 1532 C GLU A 109 21.012 10.419 3.496 1.00 50.20 C ATOM 1533 O GLU A 109 22.029 11.098 3.577 1.00 51.64 O ATOM 1534 CB GLU A 109 20.500 9.198 1.396 1.00 49.43 C ATOM 1535 CG GLU A 109 21.027 8.193 0.382 1.00 59.42 C ATOM 1536 CD GLU A 109 20.511 8.639 -0.982 1.00 65.08 C ATOM 1537 OE1 GLU A 109 19.452 9.313 -1.015 1.00 62.70 O ATOM 1538 OE2 GLU A 109 21.196 8.311 -1.957 1.00 61.37 O ATOM 1539 HA GLU A 109 22.070 8.693 2.721 1.00 0.00 H ATOM 1540 HB2 GLU A 109 19.417 9.088 1.446 1.00 0.00 H ATOM 1541 HB3 GLU A 109 20.746 10.197 1.037 1.00 0.00 H ATOM 1542 HG2 GLU A 109 22.117 8.188 0.389 1.00 0.00 H ATOM 1543 HG3 GLU A 109 20.659 7.194 0.616 1.00 0.00 H ATOM 1544 H GLU A 109 19.455 7.597 3.156 1.00 0.00 H ATOM 1545 N GLU A 110 19.881 10.818 4.018 1.00 49.29 N ATOM 1546 CA GLU A 110 19.708 12.064 4.720 1.00 53.24 C ATOM 1547 C GLU A 110 20.607 12.148 5.947 1.00 52.69 C ATOM 1548 O GLU A 110 21.308 13.150 6.131 1.00 51.60 O ATOM 1549 CB GLU A 110 18.250 12.194 5.144 1.00 56.59 C ATOM 1550 CG GLU A 110 17.667 13.575 4.891 1.00 79.24 C ATOM 1551 CD GLU A 110 18.117 14.519 5.999 1.00 88.87 C ATOM 1552 OE1 GLU A 110 17.593 14.360 7.123 1.00 87.32 O ATOM 1553 OE2 GLU A 110 18.989 15.361 5.687 1.00 96.23 O ATOM 1554 HA GLU A 110 19.985 12.878 4.050 1.00 0.00 H ATOM 1555 HB2 GLU A 110 17.662 11.464 4.588 1.00 0.00 H ATOM 1556 HB3 GLU A 110 18.180 11.979 6.210 1.00 0.00 H ATOM 1557 HG2 GLU A 110 18.017 13.948 3.929 1.00 0.00 H ATOM 1558 HG3 GLU A 110 16.579 13.516 4.882 1.00 0.00 H ATOM 1559 H GLU A 110 19.053 10.196 3.920 1.00 0.00 H ATOM 1560 N LYS A 111 20.557 11.104 6.791 1.00 50.25 N ATOM 1561 CA LYS A 111 21.377 11.105 7.999 1.00 40.47 C ATOM 1562 C LYS A 111 22.849 11.087 7.567 1.00 43.09 C ATOM 1563 O LYS A 111 23.636 11.879 8.129 1.00 43.41 O ATOM 1564 CB LYS A 111 20.922 10.100 9.023 1.00 42.62 C ATOM 1565 CG LYS A 111 21.844 9.919 10.273 1.00 38.67 C ATOM 1566 CD LYS A 111 20.955 9.716 11.453 1.00 40.72 C ATOM 1567 CE LYS A 111 21.535 9.632 12.829 1.00 39.41 C ATOM 1568 NZ LYS A 111 20.487 9.141 13.768 1.00 50.38 N ATOM 1569 HA LYS A 111 21.248 12.021 8.576 1.00 0.00 H ATOM 1570 HB2 LYS A 111 19.938 10.408 9.377 1.00 0.00 H ATOM 1571 HB3 LYS A 111 20.841 9.133 8.527 1.00 0.00 H ATOM 1572 HG2 LYS A 111 22.490 9.051 10.138 1.00 0.00 H ATOM 1573 HG3 LYS A 111 22.458 10.808 10.416 1.00 0.00 H ATOM 1574 HD2 LYS A 111 20.249 10.547 11.460 1.00 0.00 H ATOM 1575 HD3 LYS A 111 20.416 8.784 11.283 1.00 0.00 H ATOM 1576 HE2 LYS A 111 21.875 10.619 13.144 1.00 0.00 H ATOM 1577 HE3 LYS A 111 22.379 8.942 12.829 1.00 0.00 H ATOM 1578 HZ1 LYS A 111 19.684 9.801 13.765 1.00 0.00 H ATOM 1579 HZ2 LYS A 111 20.165 8.200 13.465 1.00 0.00 H ATOM 1580 HZ3 LYS A 111 20.884 9.080 14.727 1.00 0.00 H ATOM 1581 H LYS A 111 19.935 10.296 6.584 1.00 0.00 H ATOM 1582 N LEU A 112 23.267 10.327 6.570 1.00 32.98 N ATOM 1583 CA LEU A 112 24.618 10.296 6.124 1.00 43.45 C ATOM 1584 C LEU A 112 25.180 11.668 5.712 1.00 45.92 C ATOM 1585 O LEU A 112 26.377 11.911 5.826 1.00 40.64 O ATOM 1586 CB LEU A 112 24.791 9.304 4.943 1.00 38.57 C ATOM 1587 CG LEU A 112 24.791 7.828 5.392 1.00 45.60 C ATOM 1588 CD1 LEU A 112 24.569 6.914 4.184 1.00 41.20 C ATOM 1589 CD2 LEU A 112 26.080 7.466 6.086 1.00 41.96 C ATOM 1590 HA LEU A 112 25.190 9.964 6.990 1.00 0.00 H ATOM 1591 HB2 LEU A 112 23.972 9.454 4.240 1.00 0.00 H ATOM 1592 HB3 LEU A 112 25.738 9.516 4.446 1.00 0.00 H ATOM 1593 HG LEU A 112 23.977 7.691 6.103 1.00 0.00 H ATOM 1594 HD21 LEU A 112 26.915 7.621 5.403 1.00 0.00 H ATOM 1595 HD22 LEU A 112 26.207 8.097 6.966 1.00 0.00 H ATOM 1596 HD23 LEU A 112 26.046 6.420 6.389 1.00 0.00 H ATOM 1597 HD11 LEU A 112 23.610 7.150 3.723 1.00 0.00 H ATOM 1598 HD12 LEU A 112 25.369 7.070 3.460 1.00 0.00 H ATOM 1599 HD13 LEU A 112 24.571 5.874 4.511 1.00 0.00 H ATOM 1600 H LEU A 112 22.574 9.721 6.087 1.00 0.00 H ATOM 1601 N LYS A 113 24.433 12.342 4.828 1.00 49.30 N ATOM 1602 CA LYS A 113 24.842 13.594 4.195 1.00 52.99 C ATOM 1603 C LYS A 113 25.139 14.550 5.346 1.00 52.86 C ATOM 1604 O LYS A 113 26.253 15.068 5.492 1.00 48.76 O ATOM 1605 CB LYS A 113 23.867 14.080 3.128 1.00 53.19 C ATOM 1606 CG LYS A 113 24.260 13.716 1.706 1.00 62.57 C ATOM 1607 CD LYS A 113 23.170 13.953 0.670 1.00 81.27 C ATOM 1608 CE LYS A 113 22.454 12.631 0.371 1.00 98.41 C ATOM 1609 NZ LYS A 113 21.805 12.587 -0.968 1.00 96.20 N ATOM 1610 HA LYS A 113 25.741 13.484 3.589 1.00 0.00 H ATOM 1611 HB2 LYS A 113 22.890 13.643 3.334 1.00 0.00 H ATOM 1612 HB3 LYS A 113 23.800 15.166 3.196 1.00 0.00 H ATOM 1613 HG2 LYS A 113 25.129 14.313 1.429 1.00 0.00 H ATOM 1614 HG3 LYS A 113 24.525 12.659 1.686 1.00 0.00 H ATOM 1615 HD2 LYS A 113 22.452 14.676 1.056 1.00 0.00 H ATOM 1616 HD3 LYS A 113 23.617 14.340 -0.246 1.00 0.00 H ATOM 1617 HE2 LYS A 113 21.687 12.476 1.130 1.00 0.00 H ATOM 1618 HE3 LYS A 113 23.185 11.824 0.425 1.00 0.00 H ATOM 1619 HZ1 LYS A 113 21.095 13.344 -1.033 1.00 0.00 H ATOM 1620 HZ2 LYS A 113 22.526 12.722 -1.706 1.00 0.00 H ATOM 1621 HZ3 LYS A 113 21.343 11.665 -1.098 1.00 0.00 H ATOM 1622 H LYS A 113 23.503 11.950 4.576 1.00 0.00 H ATOM 1623 N ASN A 114 24.236 14.623 6.300 1.00 51.78 N ATOM 1624 CA ASN A 114 24.380 15.366 7.516 1.00 56.59 C ATOM 1625 C ASN A 114 25.542 14.952 8.414 1.00 59.77 C ATOM 1626 O ASN A 114 25.841 15.736 9.332 1.00 60.06 O ATOM 1627 CB ASN A 114 23.063 15.276 8.311 1.00 64.76 C ATOM 1628 CG ASN A 114 21.943 16.013 7.569 1.00 91.68 C ATOM 1629 OD1 ASN A 114 21.962 16.410 6.394 1.00 84.27 O ATOM 1630 ND2 ASN A 114 20.841 16.233 8.302 1.00 97.20 N ATOM 1631 HA ASN A 114 24.613 16.386 7.209 1.00 0.00 H ATOM 1632 HB2 ASN A 114 22.786 14.229 8.432 1.00 0.00 H ATOM 1633 HB3 ASN A 114 23.203 15.729 9.292 1.00 0.00 H ATOM 1634 HD22 ASN A 114 20.800 15.910 9.290 1.00 0.00 H ATOM 1635 HD21 ASN A 114 20.027 16.727 7.882 1.00 0.00 H ATOM 1636 H ASN A 114 23.348 14.100 6.160 1.00 0.00 H ATOM 1637 N LEU A 115 26.238 13.847 8.213 1.00 53.83 N ATOM 1638 CA LEU A 115 27.273 13.351 9.089 1.00 48.96 C ATOM 1639 C LEU A 115 28.576 13.515 8.301 1.00 47.58 C ATOM 1640 O LEU A 115 29.601 13.035 8.731 1.00 39.57 O ATOM 1641 CB LEU A 115 27.120 11.899 9.542 1.00 40.82 C ATOM 1642 CG LEU A 115 25.982 11.576 10.503 1.00 57.17 C ATOM 1643 CD1 LEU A 115 25.713 10.066 10.507 1.00 51.01 C ATOM 1644 CD2 LEU A 115 26.247 12.097 11.909 1.00 45.05 C ATOM 1645 HA LEU A 115 27.235 13.915 10.021 1.00 0.00 H ATOM 1646 HB2 LEU A 115 26.975 11.292 8.648 1.00 0.00 H ATOM 1647 HB3 LEU A 115 28.051 11.609 10.029 1.00 0.00 H ATOM 1648 HG LEU A 115 25.089 12.092 10.149 1.00 0.00 H ATOM 1649 HD21 LEU A 115 27.158 11.642 12.298 1.00 0.00 H ATOM 1650 HD22 LEU A 115 26.366 13.180 11.877 1.00 0.00 H ATOM 1651 HD23 LEU A 115 25.407 11.841 12.554 1.00 0.00 H ATOM 1652 HD11 LEU A 115 25.438 9.745 9.503 1.00 0.00 H ATOM 1653 HD12 LEU A 115 26.613 9.539 10.825 1.00 0.00 H ATOM 1654 HD13 LEU A 115 24.898 9.845 11.197 1.00 0.00 H ATOM 1655 H LEU A 115 26.024 13.293 7.359 1.00 0.00 H ATOM 1656 N GLY A 116 28.465 14.093 7.120 1.00 48.63 N ATOM 1657 CA GLY A 116 29.642 14.358 6.303 1.00 50.81 C ATOM 1658 C GLY A 116 30.056 13.247 5.375 1.00 54.02 C ATOM 1659 O GLY A 116 31.246 13.249 5.003 1.00 52.75 O ATOM 1660 HA3 GLY A 116 30.476 14.563 6.974 1.00 0.00 H ATOM 1661 HA2 GLY A 116 29.438 15.242 5.698 1.00 0.00 H ATOM 1662 H GLY A 116 27.525 14.363 6.768 1.00 0.00 H ATOM 1663 N ALA A 117 29.142 12.313 5.041 1.00 49.55 N ATOM 1664 CA ALA A 117 29.620 11.279 4.109 1.00 44.36 C ATOM 1665 C ALA A 117 29.518 11.831 2.688 1.00 45.00 C ATOM 1666 O ALA A 117 28.807 12.765 2.348 1.00 44.51 O ATOM 1667 CB ALA A 117 28.806 9.995 4.212 1.00 31.90 C ATOM 1668 HA ALA A 117 30.651 11.033 4.364 1.00 0.00 H ATOM 1669 HB1 ALA A 117 28.879 9.600 5.225 1.00 0.00 H ATOM 1670 HB2 ALA A 117 27.763 10.208 3.978 1.00 0.00 H ATOM 1671 HB3 ALA A 117 29.196 9.262 3.506 1.00 0.00 H ATOM 1672 H ALA A 117 28.171 12.323 5.414 1.00 0.00 H ATOM 1673 N GLU A 118 30.280 11.199 1.825 1.00 45.32 N ATOM 1674 CA GLU A 118 30.325 11.323 0.396 1.00 43.77 C ATOM 1675 C GLU A 118 29.507 10.122 -0.233 1.00 44.08 C ATOM 1676 O GLU A 118 29.939 9.085 -0.718 1.00 40.37 O ATOM 1677 CB GLU A 118 31.773 11.270 -0.116 1.00 31.11 C ATOM 1678 CG GLU A 118 31.995 11.712 -1.548 1.00 49.97 C ATOM 1679 CD GLU A 118 33.338 11.490 -2.168 1.00 67.56 C ATOM 1680 OE1 GLU A 118 34.401 11.636 -1.506 1.00 74.77 O ATOM 1681 OE2 GLU A 118 33.397 11.124 -3.375 1.00 70.42 O ATOM 1682 HA GLU A 118 29.895 12.282 0.107 1.00 0.00 H ATOM 1683 HB2 GLU A 118 32.377 11.911 0.527 1.00 0.00 H ATOM 1684 HB3 GLU A 118 32.119 10.240 -0.029 1.00 0.00 H ATOM 1685 HG2 GLU A 118 31.266 11.185 -2.163 1.00 0.00 H ATOM 1686 HG3 GLU A 118 31.796 12.783 -1.588 1.00 0.00 H ATOM 1687 H GLU A 118 30.944 10.512 2.235 1.00 0.00 H ATOM 1688 N ILE A 119 28.262 10.591 -0.468 1.00 48.79 N ATOM 1689 CA ILE A 119 27.210 9.878 -1.177 1.00 50.83 C ATOM 1690 C ILE A 119 27.708 9.777 -2.613 1.00 47.65 C ATOM 1691 O ILE A 119 27.587 10.807 -3.252 1.00 45.46 O ATOM 1692 CB ILE A 119 25.806 10.462 -1.285 1.00 41.53 C ATOM 1693 CG1 ILE A 119 25.081 10.502 0.065 1.00 56.77 C ATOM 1694 CG2 ILE A 119 24.936 9.682 -2.258 1.00 56.77 C ATOM 1695 CD1 ILE A 119 24.711 9.180 0.688 1.00 62.06 C ATOM 1696 HA ILE A 119 27.065 8.973 -0.587 1.00 0.00 H ATOM 1697 HB ILE A 119 25.951 11.479 -1.649 1.00 0.00 H ATOM 1698 HG12 ILE A 119 25.727 11.027 0.769 1.00 0.00 H ATOM 1699 HG13 ILE A 119 24.160 11.069 -0.074 1.00 0.00 H ATOM 1700 HD11 ILE A 119 24.047 8.636 0.016 1.00 0.00 H ATOM 1701 HD12 ILE A 119 25.615 8.595 0.859 1.00 0.00 H ATOM 1702 HD13 ILE A 119 24.205 9.356 1.637 1.00 0.00 H ATOM 1703 HG21 ILE A 119 25.391 9.704 -3.248 1.00 0.00 H ATOM 1704 HG22 ILE A 119 24.850 8.650 -1.919 1.00 0.00 H ATOM 1705 HG23 ILE A 119 23.946 10.135 -2.302 1.00 0.00 H ATOM 1706 H ILE A 119 28.036 11.542 -0.112 1.00 0.00 H ATOM 1707 N VAL A 120 28.128 8.577 -3.044 1.00 47.08 N ATOM 1708 CA VAL A 120 28.718 8.541 -4.371 1.00 46.14 C ATOM 1709 C VAL A 120 27.664 8.338 -5.441 1.00 52.31 C ATOM 1710 O VAL A 120 28.072 8.446 -6.610 1.00 53.63 O ATOM 1711 CB VAL A 120 29.882 7.587 -4.659 1.00 50.98 C ATOM 1712 CG1 VAL A 120 31.044 7.908 -3.708 1.00 50.42 C ATOM 1713 CG2 VAL A 120 29.535 6.124 -4.625 1.00 51.51 C ATOM 1714 HA VAL A 120 29.179 9.528 -4.397 1.00 0.00 H ATOM 1715 HB VAL A 120 30.173 7.763 -5.694 1.00 0.00 H ATOM 1716 HG11 VAL A 120 31.366 8.937 -3.865 1.00 0.00 H ATOM 1717 HG12 VAL A 120 30.713 7.782 -2.677 1.00 0.00 H ATOM 1718 HG13 VAL A 120 31.874 7.231 -3.910 1.00 0.00 H ATOM 1719 HG21 VAL A 120 29.158 5.864 -3.636 1.00 0.00 H ATOM 1720 HG22 VAL A 120 28.770 5.916 -5.373 1.00 0.00 H ATOM 1721 HG23 VAL A 120 30.426 5.535 -4.841 1.00 0.00 H ATOM 1722 H VAL A 120 28.036 7.721 -2.461 1.00 0.00 H ATOM 1723 N GLN A 121 26.426 8.059 -5.043 1.00 49.82 N ATOM 1724 CA GLN A 121 25.426 7.866 -6.125 1.00 43.96 C ATOM 1725 C GLN A 121 24.073 7.943 -5.492 1.00 40.25 C ATOM 1726 O GLN A 121 23.923 7.664 -4.295 1.00 40.04 O ATOM 1727 CB GLN A 121 25.718 6.525 -6.767 1.00 52.35 C ATOM 1728 CG GLN A 121 25.095 6.200 -8.080 1.00 58.78 C ATOM 1729 CD GLN A 121 25.857 6.582 -9.322 1.00 73.82 C ATOM 1730 OE1 GLN A 121 26.912 7.240 -9.347 1.00 70.48 O ATOM 1731 NE2 GLN A 121 25.254 6.101 -10.422 1.00 68.89 N ATOM 1732 HA GLN A 121 25.468 8.623 -6.908 1.00 0.00 H ATOM 1733 HB2 GLN A 121 26.798 6.464 -6.902 1.00 0.00 H ATOM 1734 HB3 GLN A 121 25.397 5.757 -6.063 1.00 0.00 H ATOM 1735 HG2 GLN A 121 24.939 5.122 -8.110 1.00 0.00 H ATOM 1736 HG3 GLN A 121 24.131 6.706 -8.119 1.00 0.00 H ATOM 1737 HE22 GLN A 121 24.372 5.557 -10.336 1.00 0.00 H ATOM 1738 HE21 GLN A 121 25.669 6.273 -11.360 1.00 0.00 H ATOM 1739 H GLN A 121 26.174 7.981 -4.037 1.00 0.00 H ATOM 1740 N ASP A 122 23.061 8.352 -6.233 1.00 45.02 N ATOM 1741 CA ASP A 122 21.689 8.401 -5.666 1.00 45.47 C ATOM 1742 C ASP A 122 21.241 7.012 -5.253 1.00 40.19 C ATOM 1743 O ASP A 122 21.671 6.097 -5.954 1.00 35.45 O ATOM 1744 CB ASP A 122 20.783 8.976 -6.770 1.00 70.07 C ATOM 1745 CG ASP A 122 21.401 10.324 -7.177 1.00 86.00 C ATOM 1746 OD1 ASP A 122 22.305 10.257 -8.053 1.00 90.20 O ATOM 1747 OD2 ASP A 122 20.961 11.333 -6.581 1.00 85.67 O ATOM 1748 HA ASP A 122 21.646 9.023 -4.772 1.00 0.00 H ATOM 1749 HB2 ASP A 122 20.754 8.300 -7.625 1.00 0.00 H ATOM 1750 HB3 ASP A 122 19.772 9.123 -6.390 1.00 0.00 H ATOM 1751 H ASP A 122 23.225 8.641 -7.218 1.00 0.00 H ATOM 1752 N GLY A 123 20.520 6.822 -4.178 1.00 41.31 N ATOM 1753 CA GLY A 123 20.134 5.492 -3.737 1.00 47.17 C ATOM 1754 C GLY A 123 19.401 4.656 -4.804 1.00 47.94 C ATOM 1755 O GLY A 123 18.828 5.185 -5.743 1.00 45.26 O ATOM 1756 HA3 GLY A 123 19.477 5.596 -2.874 1.00 0.00 H ATOM 1757 HA2 GLY A 123 21.036 4.955 -3.443 1.00 0.00 H ATOM 1758 H GLY A 123 20.214 7.647 -3.623 1.00 0.00 H ATOM 1759 N LEU A 124 19.377 3.361 -4.666 1.00 44.48 N ATOM 1760 CA LEU A 124 18.646 2.409 -5.505 1.00 44.47 C ATOM 1761 C LEU A 124 17.377 2.031 -4.733 1.00 39.23 C ATOM 1762 O LEU A 124 17.525 1.655 -3.588 1.00 39.80 O ATOM 1763 CB LEU A 124 19.322 1.087 -5.693 1.00 30.52 C ATOM 1764 CG LEU A 124 18.690 0.104 -6.614 1.00 51.48 C ATOM 1765 CD1 LEU A 124 18.576 0.718 -8.021 1.00 36.06 C ATOM 1766 CD2 LEU A 124 19.530 -1.167 -6.444 1.00 31.24 C ATOM 1767 HA LEU A 124 18.521 2.897 -6.472 1.00 0.00 H ATOM 1768 HB2 LEU A 124 20.325 1.286 -6.070 1.00 0.00 H ATOM 1769 HB3 LEU A 124 19.391 0.615 -4.713 1.00 0.00 H ATOM 1770 HG LEU A 124 17.654 -0.162 -6.402 1.00 0.00 H ATOM 1771 HD21 LEU A 124 20.564 -0.957 -6.717 1.00 0.00 H ATOM 1772 HD22 LEU A 124 19.487 -1.493 -5.405 1.00 0.00 H ATOM 1773 HD23 LEU A 124 19.135 -1.951 -7.089 1.00 0.00 H ATOM 1774 HD11 LEU A 124 17.964 1.619 -7.974 1.00 0.00 H ATOM 1775 HD12 LEU A 124 19.571 0.972 -8.387 1.00 0.00 H ATOM 1776 HD13 LEU A 124 18.113 -0.003 -8.694 1.00 0.00 H ATOM 1777 H LEU A 124 19.932 2.963 -3.882 1.00 0.00 H ATOM 1778 N ARG A 125 16.267 2.418 -5.340 1.00 40.17 N ATOM 1779 CA ARG A 125 14.948 2.218 -4.791 1.00 46.17 C ATOM 1780 C ARG A 125 14.286 1.119 -5.667 1.00 46.37 C ATOM 1781 O ARG A 125 13.949 1.359 -6.820 1.00 45.85 O ATOM 1782 CB ARG A 125 14.242 3.577 -4.712 1.00 47.14 C ATOM 1783 CG ARG A 125 14.853 4.579 -3.715 1.00 45.03 C ATOM 1784 CD ARG A 125 14.408 6.018 -3.950 1.00 42.27 C ATOM 1785 NE ARG A 125 14.751 6.961 -2.878 1.00 43.55 N ATOM 1786 CZ ARG A 125 15.951 7.580 -2.930 1.00 61.49 C ATOM 1787 NH1 ARG A 125 16.756 7.313 -3.964 1.00 48.55 N ATOM 1788 NH2 ARG A 125 16.358 8.445 -2.014 1.00 48.31 N ATOM 1789 HA ARG A 125 14.916 1.853 -3.764 1.00 0.00 H ATOM 1790 HB2 ARG A 125 14.269 4.029 -5.703 1.00 0.00 H ATOM 1791 HB3 ARG A 125 13.206 3.402 -4.422 1.00 0.00 H ATOM 1792 HG2 ARG A 125 14.558 4.287 -2.707 1.00 0.00 H ATOM 1793 HG3 ARG A 125 15.939 4.535 -3.802 1.00 0.00 H ATOM 1794 HD2 ARG A 125 13.324 6.021 -4.069 1.00 0.00 H ATOM 1795 HD3 ARG A 125 14.874 6.369 -4.871 1.00 0.00 H ATOM 1796 HE ARG A 125 14.088 7.148 -2.099 1.00 0.00 H ATOM 1797 HH12 ARG A 125 17.686 7.774 -4.032 1.00 0.00 H ATOM 1798 HH11 ARG A 125 16.452 6.644 -4.700 1.00 0.00 H ATOM 1799 HH22 ARG A 125 17.292 8.894 -2.101 1.00 0.00 H ATOM 1800 HH21 ARG A 125 15.744 8.676 -1.207 1.00 0.00 H ATOM 1801 H ARG A 125 16.350 2.892 -6.262 1.00 0.00 H ATOM 1802 N ILE A 126 14.214 -0.088 -5.183 1.00 44.60 N ATOM 1803 CA ILE A 126 13.570 -1.214 -5.852 1.00 43.22 C ATOM 1804 C ILE A 126 12.081 -1.227 -5.474 1.00 39.11 C ATOM 1805 O ILE A 126 11.751 -1.235 -4.305 1.00 41.25 O ATOM 1806 CB ILE A 126 14.083 -2.627 -5.562 1.00 49.25 C ATOM 1807 CG1 ILE A 126 15.623 -2.716 -5.788 1.00 47.46 C ATOM 1808 CG2 ILE A 126 13.418 -3.756 -6.387 1.00 31.10 C ATOM 1809 CD1 ILE A 126 16.043 -2.168 -7.125 1.00 49.26 C ATOM 1810 HA ILE A 126 13.796 -1.026 -6.902 1.00 0.00 H ATOM 1811 HB ILE A 126 13.814 -2.792 -4.519 1.00 0.00 H ATOM 1812 HG12 ILE A 126 16.125 -2.148 -5.004 1.00 0.00 H ATOM 1813 HG13 ILE A 126 15.925 -3.762 -5.728 1.00 0.00 H ATOM 1814 HD11 ILE A 126 15.554 -2.734 -7.918 1.00 0.00 H ATOM 1815 HD12 ILE A 126 15.754 -1.119 -7.194 1.00 0.00 H ATOM 1816 HD13 ILE A 126 17.125 -2.255 -7.229 1.00 0.00 H ATOM 1817 HG21 ILE A 126 12.347 -3.768 -6.186 1.00 0.00 H ATOM 1818 HG22 ILE A 126 13.588 -3.577 -7.449 1.00 0.00 H ATOM 1819 HG23 ILE A 126 13.853 -4.715 -6.105 1.00 0.00 H ATOM 1820 H ILE A 126 14.646 -0.262 -4.253 1.00 0.00 H ATOM 1821 N ASP A 127 11.249 -1.336 -6.489 1.00 41.48 N ATOM 1822 CA ASP A 127 9.778 -1.395 -6.226 1.00 48.38 C ATOM 1823 C ASP A 127 9.303 -2.820 -6.397 1.00 42.68 C ATOM 1824 O ASP A 127 9.706 -3.371 -7.421 1.00 40.38 O ATOM 1825 CB ASP A 127 9.074 -0.380 -7.169 1.00 48.49 C ATOM 1826 CG ASP A 127 7.571 -0.351 -7.079 1.00 53.05 C ATOM 1827 OD1 ASP A 127 6.958 -0.843 -6.097 1.00 43.27 O ATOM 1828 OD2 ASP A 127 6.922 0.252 -8.010 1.00 59.49 O ATOM 1829 HA ASP A 127 9.531 -1.110 -5.203 1.00 0.00 H ATOM 1830 HB2 ASP A 127 9.445 0.616 -6.929 1.00 0.00 H ATOM 1831 HB3 ASP A 127 9.345 -0.629 -8.195 1.00 0.00 H ATOM 1832 H ASP A 127 11.611 -1.381 -7.463 1.00 0.00 H ATOM 1833 N GLY A 128 8.626 -3.502 -5.474 1.00 44.31 N ATOM 1834 CA GLY A 128 8.305 -4.906 -5.827 1.00 45.86 C ATOM 1835 C GLY A 128 9.541 -5.817 -5.920 1.00 52.72 C ATOM 1836 O GLY A 128 10.552 -5.625 -5.224 1.00 45.48 O ATOM 1837 HA3 GLY A 128 7.799 -4.912 -6.793 1.00 0.00 H ATOM 1838 HA2 GLY A 128 7.637 -5.309 -5.066 1.00 0.00 H ATOM 1839 H GLY A 128 8.342 -3.078 -4.568 1.00 0.00 H ATOM 1840 N ASP A 129 9.389 -6.942 -6.654 1.00 49.26 N ATOM 1841 CA ASP A 129 10.322 -8.028 -6.742 1.00 49.48 C ATOM 1842 C ASP A 129 11.649 -7.627 -7.357 1.00 46.71 C ATOM 1843 O ASP A 129 11.750 -7.289 -8.511 1.00 51.85 O ATOM 1844 CB ASP A 129 9.758 -9.261 -7.452 1.00 55.60 C ATOM 1845 CG ASP A 129 10.481 -10.567 -7.309 1.00 63.65 C ATOM 1846 OD1 ASP A 129 11.615 -10.653 -6.773 1.00 59.56 O ATOM 1847 OD2 ASP A 129 9.940 -11.556 -7.888 1.00 67.98 O ATOM 1848 HA ASP A 129 10.507 -8.305 -5.704 1.00 0.00 H ATOM 1849 HB2 ASP A 129 8.745 -9.412 -7.078 1.00 0.00 H ATOM 1850 HB3 ASP A 129 9.720 -9.030 -8.516 1.00 0.00 H ATOM 1851 H ASP A 129 8.513 -7.028 -7.207 1.00 0.00 H ATOM 1852 N PRO A 130 12.700 -7.795 -6.561 1.00 44.73 N ATOM 1853 CA PRO A 130 14.078 -7.462 -6.905 1.00 47.75 C ATOM 1854 C PRO A 130 14.604 -8.373 -7.983 1.00 47.22 C ATOM 1855 O PRO A 130 15.377 -7.932 -8.843 1.00 44.80 O ATOM 1856 CB PRO A 130 14.923 -7.612 -5.623 1.00 48.34 C ATOM 1857 CG PRO A 130 14.034 -8.593 -4.862 1.00 49.43 C ATOM 1858 CD PRO A 130 12.592 -8.251 -5.188 1.00 41.52 C ATOM 1859 HA PRO A 130 14.130 -6.443 -7.289 1.00 0.00 H ATOM 1860 HD3 PRO A 130 11.948 -9.127 -5.110 1.00 0.00 H ATOM 1861 HD2 PRO A 130 12.213 -7.464 -4.536 1.00 0.00 H ATOM 1862 HG3 PRO A 130 14.206 -8.497 -3.790 1.00 0.00 H ATOM 1863 HG2 PRO A 130 14.254 -9.614 -5.174 1.00 0.00 H ATOM 1864 HB2 PRO A 130 15.909 -8.029 -5.830 1.00 0.00 H ATOM 1865 HB3 PRO A 130 15.034 -6.666 -5.094 1.00 0.00 H ATOM 1866 N ARG A 131 14.095 -9.629 -7.987 1.00 50.39 N ATOM 1867 CA ARG A 131 14.529 -10.522 -9.075 1.00 52.09 C ATOM 1868 C ARG A 131 14.018 -9.973 -10.407 1.00 50.78 C ATOM 1869 O ARG A 131 14.701 -10.157 -11.414 1.00 52.47 O ATOM 1870 CB ARG A 131 14.209 -11.986 -8.934 1.00 57.25 C ATOM 1871 CG ARG A 131 14.902 -12.766 -7.825 1.00 60.68 C ATOM 1872 CD ARG A 131 13.931 -12.951 -6.662 1.00 70.70 C ATOM 1873 NE ARG A 131 14.493 -13.683 -5.534 1.00 80.17 N ATOM 1874 CZ ARG A 131 14.229 -13.374 -4.255 1.00 82.51 C ATOM 1875 NH1 ARG A 131 13.402 -12.364 -3.978 1.00 72.63 N ATOM 1876 NH2 ARG A 131 14.789 -14.061 -3.260 1.00 75.62 N ATOM 1877 HA ARG A 131 15.618 -10.513 -9.025 1.00 0.00 H ATOM 1878 HB2 ARG A 131 13.135 -12.069 -8.766 1.00 0.00 H ATOM 1879 HB3 ARG A 131 14.466 -12.467 -9.878 1.00 0.00 H ATOM 1880 HG2 ARG A 131 15.210 -13.741 -8.202 1.00 0.00 H ATOM 1881 HG3 ARG A 131 15.779 -12.216 -7.485 1.00 0.00 H ATOM 1882 HD2 ARG A 131 13.060 -13.496 -7.025 1.00 0.00 H ATOM 1883 HD3 ARG A 131 13.622 -11.966 -6.313 1.00 0.00 H ATOM 1884 HE ARG A 131 15.129 -14.483 -5.729 1.00 0.00 H ATOM 1885 HH12 ARG A 131 13.193 -12.119 -2.989 1.00 0.00 H ATOM 1886 HH11 ARG A 131 12.966 -11.822 -4.751 1.00 0.00 H ATOM 1887 HH22 ARG A 131 14.577 -13.812 -2.273 1.00 0.00 H ATOM 1888 HH21 ARG A 131 15.438 -14.846 -3.471 1.00 0.00 H ATOM 1889 H ARG A 131 13.428 -9.948 -7.255 1.00 0.00 H ATOM 1890 N ALA A 132 12.919 -9.234 -10.446 1.00 50.71 N ATOM 1891 CA ALA A 132 12.450 -8.648 -11.703 1.00 55.27 C ATOM 1892 C ALA A 132 13.268 -7.430 -12.096 1.00 56.42 C ATOM 1893 O ALA A 132 13.377 -7.116 -13.287 1.00 58.85 O ATOM 1894 CB ALA A 132 10.960 -8.337 -11.580 1.00 48.62 C ATOM 1895 HA ALA A 132 12.589 -9.367 -12.511 1.00 0.00 H ATOM 1896 HB1 ALA A 132 10.414 -9.258 -11.376 1.00 0.00 H ATOM 1897 HB2 ALA A 132 10.803 -7.632 -10.764 1.00 0.00 H ATOM 1898 HB3 ALA A 132 10.603 -7.900 -12.513 1.00 0.00 H ATOM 1899 H ALA A 132 12.382 -9.068 -9.571 1.00 0.00 H ATOM 1900 N ALA A 133 14.101 -6.878 -11.208 1.00 56.16 N ATOM 1901 CA ALA A 133 14.922 -5.714 -11.479 1.00 51.31 C ATOM 1902 C ALA A 133 16.407 -5.975 -11.395 1.00 54.72 C ATOM 1903 O ALA A 133 17.152 -5.040 -11.124 1.00 52.51 O ATOM 1904 CB ALA A 133 14.591 -4.632 -10.457 1.00 51.69 C ATOM 1905 HA ALA A 133 14.698 -5.416 -12.503 1.00 0.00 H ATOM 1906 HB1 ALA A 133 13.536 -4.368 -10.538 1.00 0.00 H ATOM 1907 HB2 ALA A 133 14.798 -5.006 -9.454 1.00 0.00 H ATOM 1908 HB3 ALA A 133 15.203 -3.751 -10.651 1.00 0.00 H ATOM 1909 H ALA A 133 14.164 -7.310 -10.264 1.00 0.00 H ATOM 1910 N ARG A 134 16.847 -7.195 -11.652 1.00 57.11 N ATOM 1911 CA ARG A 134 18.250 -7.544 -11.570 1.00 62.65 C ATOM 1912 C ARG A 134 19.166 -6.655 -12.417 1.00 63.77 C ATOM 1913 O ARG A 134 20.293 -6.369 -11.970 1.00 61.83 O ATOM 1914 CB ARG A 134 18.472 -9.006 -11.949 1.00 60.40 C ATOM 1915 CG ARG A 134 19.894 -9.481 -11.823 1.00 58.38 C ATOM 1916 CD ARG A 134 20.092 -10.957 -12.165 1.00 68.97 C ATOM 1917 NE ARG A 134 21.313 -11.463 -11.516 1.00 62.62 N ATOM 1918 CZ ARG A 134 22.547 -11.248 -11.972 1.00 74.75 C ATOM 1919 NH1 ARG A 134 22.767 -10.577 -13.101 1.00 65.97 N ATOM 1920 NH2 ARG A 134 23.602 -11.733 -11.313 1.00 83.43 N ATOM 1921 HA ARG A 134 18.524 -7.378 -10.528 1.00 0.00 H ATOM 1922 HB2 ARG A 134 17.849 -9.623 -11.301 1.00 0.00 H ATOM 1923 HB3 ARG A 134 18.160 -9.139 -12.985 1.00 0.00 H ATOM 1924 HG2 ARG A 134 20.514 -8.888 -12.495 1.00 0.00 H ATOM 1925 HG3 ARG A 134 20.219 -9.321 -10.795 1.00 0.00 H ATOM 1926 HD2 ARG A 134 20.184 -11.069 -13.245 1.00 0.00 H ATOM 1927 HD3 ARG A 134 19.233 -11.528 -11.814 1.00 0.00 H ATOM 1928 HE ARG A 134 21.206 -12.024 -10.647 1.00 0.00 H ATOM 1929 HH12 ARG A 134 23.740 -10.424 -13.434 1.00 0.00 H ATOM 1930 HH11 ARG A 134 21.965 -10.206 -13.650 1.00 0.00 H ATOM 1931 HH22 ARG A 134 24.563 -11.563 -11.673 1.00 0.00 H ATOM 1932 HH21 ARG A 134 23.463 -12.281 -10.440 1.00 0.00 H ATOM 1933 H ARG A 134 16.162 -7.929 -11.922 1.00 0.00 H ATOM 1934 N ASP A 135 18.744 -6.250 -13.601 1.00 61.37 N ATOM 1935 CA ASP A 135 19.566 -5.394 -14.443 1.00 61.18 C ATOM 1936 C ASP A 135 19.813 -4.058 -13.758 1.00 59.11 C ATOM 1937 O ASP A 135 20.938 -3.599 -13.799 1.00 55.21 O ATOM 1938 CB ASP A 135 18.961 -5.191 -15.827 1.00 74.62 C ATOM 1939 CG ASP A 135 19.269 -6.411 -16.696 1.00 85.31 C ATOM 1940 OD1 ASP A 135 20.060 -7.293 -16.279 1.00 76.59 O ATOM 1941 OD2 ASP A 135 18.695 -6.415 -17.812 1.00 90.30 O ATOM 1942 HA ASP A 135 20.521 -5.899 -14.587 1.00 0.00 H ATOM 1943 HB2 ASP A 135 17.881 -5.069 -15.739 1.00 0.00 H ATOM 1944 HB3 ASP A 135 19.389 -4.300 -16.285 1.00 0.00 H ATOM 1945 H ASP A 135 17.806 -6.548 -13.938 1.00 0.00 H ATOM 1946 N ASP A 136 18.774 -3.505 -13.160 1.00 56.21 N ATOM 1947 CA ASP A 136 18.816 -2.289 -12.400 1.00 54.53 C ATOM 1948 C ASP A 136 19.806 -2.400 -11.242 1.00 50.09 C ATOM 1949 O ASP A 136 20.684 -1.554 -11.135 1.00 48.06 O ATOM 1950 CB ASP A 136 17.424 -1.986 -11.819 1.00 59.26 C ATOM 1951 CG ASP A 136 16.461 -1.522 -12.907 1.00 66.19 C ATOM 1952 OD1 ASP A 136 16.913 -1.412 -14.063 1.00 50.70 O ATOM 1953 OD2 ASP A 136 15.277 -1.251 -12.606 1.00 61.81 O ATOM 1954 HA ASP A 136 19.132 -1.489 -13.070 1.00 0.00 H ATOM 1955 HB2 ASP A 136 17.028 -2.889 -11.355 1.00 0.00 H ATOM 1956 HB3 ASP A 136 17.515 -1.202 -11.067 1.00 0.00 H ATOM 1957 H ASP A 136 17.856 -3.987 -13.246 1.00 0.00 H ATOM 1958 N ILE A 137 19.727 -3.441 -10.430 1.00 48.00 N ATOM 1959 CA ILE A 137 20.702 -3.607 -9.363 1.00 51.74 C ATOM 1960 C ILE A 137 22.131 -3.644 -9.891 1.00 55.91 C ATOM 1961 O ILE A 137 23.008 -2.885 -9.443 1.00 56.83 O ATOM 1962 CB ILE A 137 20.336 -4.860 -8.577 1.00 53.00 C ATOM 1963 CG1 ILE A 137 18.896 -4.656 -8.054 1.00 42.59 C ATOM 1964 CG2 ILE A 137 21.345 -5.171 -7.484 1.00 42.56 C ATOM 1965 CD1 ILE A 137 18.190 -5.993 -7.912 1.00 40.66 C ATOM 1966 HA ILE A 137 20.670 -2.744 -8.698 1.00 0.00 H ATOM 1967 HB ILE A 137 20.368 -5.743 -9.215 1.00 0.00 H ATOM 1968 HG12 ILE A 137 18.933 -4.164 -7.082 1.00 0.00 H ATOM 1969 HG13 ILE A 137 18.344 -4.031 -8.756 1.00 0.00 H ATOM 1970 HD11 ILE A 137 18.149 -6.486 -8.883 1.00 0.00 H ATOM 1971 HD12 ILE A 137 18.739 -6.619 -7.208 1.00 0.00 H ATOM 1972 HD13 ILE A 137 17.177 -5.830 -7.543 1.00 0.00 H ATOM 1973 HG21 ILE A 137 22.327 -5.327 -7.931 1.00 0.00 H ATOM 1974 HG22 ILE A 137 21.391 -4.335 -6.786 1.00 0.00 H ATOM 1975 HG23 ILE A 137 21.038 -6.073 -6.954 1.00 0.00 H ATOM 1976 H ILE A 137 18.968 -4.141 -10.554 1.00 0.00 H ATOM 1977 N VAL A 138 22.374 -4.480 -10.882 1.00 51.42 N ATOM 1978 CA VAL A 138 23.677 -4.680 -11.472 1.00 54.36 C ATOM 1979 C VAL A 138 24.236 -3.414 -12.110 1.00 52.44 C ATOM 1980 O VAL A 138 25.431 -3.140 -12.022 1.00 48.93 O ATOM 1981 CB VAL A 138 23.645 -5.825 -12.510 1.00 57.59 C ATOM 1982 CG1 VAL A 138 24.849 -5.917 -13.428 1.00 56.41 C ATOM 1983 CG2 VAL A 138 23.547 -7.124 -11.700 1.00 61.67 C ATOM 1984 HA VAL A 138 24.344 -4.954 -10.655 1.00 0.00 H ATOM 1985 HB VAL A 138 22.803 -5.638 -13.177 1.00 0.00 H ATOM 1986 HG11 VAL A 138 24.942 -4.992 -13.997 1.00 0.00 H ATOM 1987 HG12 VAL A 138 25.748 -6.071 -12.831 1.00 0.00 H ATOM 1988 HG13 VAL A 138 24.719 -6.755 -14.113 1.00 0.00 H ATOM 1989 HG21 VAL A 138 24.414 -7.209 -11.045 1.00 0.00 H ATOM 1990 HG22 VAL A 138 22.637 -7.109 -11.100 1.00 0.00 H ATOM 1991 HG23 VAL A 138 23.520 -7.974 -12.381 1.00 0.00 H ATOM 1992 H VAL A 138 21.577 -5.030 -11.262 1.00 0.00 H ATOM 1993 N GLY A 139 23.312 -2.678 -12.709 1.00 45.87 N ATOM 1994 CA GLY A 139 23.675 -1.486 -13.428 1.00 49.27 C ATOM 1995 C GLY A 139 24.090 -0.448 -12.356 1.00 49.07 C ATOM 1996 O GLY A 139 25.003 0.292 -12.629 1.00 45.16 O ATOM 1997 HA3 GLY A 139 22.826 -1.117 -14.003 1.00 0.00 H ATOM 1998 HA2 GLY A 139 24.508 -1.689 -14.101 1.00 0.00 H ATOM 1999 H GLY A 139 22.314 -2.965 -12.659 1.00 0.00 H ATOM 2000 N TRP A 140 23.313 -0.429 -11.285 1.00 46.36 N ATOM 2001 CA TRP A 140 23.553 0.501 -10.243 1.00 51.68 C ATOM 2002 C TRP A 140 24.866 0.214 -9.449 1.00 52.71 C ATOM 2003 O TRP A 140 25.527 1.167 -9.038 1.00 53.02 O ATOM 2004 CB TRP A 140 22.433 0.542 -9.249 1.00 45.03 C ATOM 2005 CG TRP A 140 22.762 1.460 -8.092 1.00 43.52 C ATOM 2006 CD1 TRP A 140 22.247 2.721 -7.987 1.00 39.69 C ATOM 2007 CD2 TRP A 140 23.344 1.138 -6.835 1.00 40.48 C ATOM 2008 NE1 TRP A 140 22.365 3.147 -6.687 1.00 45.60 N ATOM 2009 CE2 TRP A 140 23.077 2.207 -5.968 1.00 39.18 C ATOM 2010 CE3 TRP A 140 23.818 -0.058 -6.291 1.00 39.01 C ATOM 2011 CZ2 TRP A 140 23.365 2.204 -4.629 1.00 41.24 C ATOM 2012 CZ3 TRP A 140 24.016 -0.086 -4.924 1.00 43.22 C ATOM 2013 CH2 TRP A 140 23.866 1.037 -4.115 1.00 41.99 C ATOM 2014 HA TRP A 140 23.642 1.458 -10.757 1.00 0.00 H ATOM 2015 HB2 TRP A 140 21.531 0.902 -9.744 1.00 0.00 H ATOM 2016 HB3 TRP A 140 22.259 -0.464 -8.867 1.00 0.00 H ATOM 2017 HE1 TRP A 140 21.980 4.035 -6.305 1.00 0.00 H ATOM 2018 HD1 TRP A 140 21.812 3.297 -8.804 1.00 0.00 H ATOM 2019 HZ2 TRP A 140 23.204 3.083 -4.005 1.00 0.00 H ATOM 2020 HH2 TRP A 140 24.150 0.987 -3.064 1.00 0.00 H ATOM 2021 HZ3 TRP A 140 24.302 -1.029 -4.458 1.00 0.00 H ATOM 2022 HE3 TRP A 140 24.022 -0.928 -6.915 1.00 0.00 H ATOM 2023 H TRP A 140 22.522 -1.100 -11.208 1.00 0.00 H ATOM 2024 N ALA A 141 25.215 -1.035 -9.373 1.00 52.67 N ATOM 2025 CA ALA A 141 26.470 -1.442 -8.765 1.00 54.24 C ATOM 2026 C ALA A 141 27.606 -0.976 -9.671 1.00 55.18 C ATOM 2027 O ALA A 141 28.452 -0.181 -9.231 1.00 56.66 O ATOM 2028 CB ALA A 141 26.446 -2.915 -8.519 1.00 37.90 C ATOM 2029 HA ALA A 141 26.626 -0.981 -7.790 1.00 0.00 H ATOM 2030 HB1 ALA A 141 25.621 -3.157 -7.849 1.00 0.00 H ATOM 2031 HB2 ALA A 141 26.313 -3.438 -9.466 1.00 0.00 H ATOM 2032 HB3 ALA A 141 27.387 -3.221 -8.063 1.00 0.00 H ATOM 2033 H ALA A 141 24.579 -1.763 -9.758 1.00 0.00 H ATOM 2034 N HIS A 142 27.514 -1.230 -10.952 1.00 55.64 N ATOM 2035 CA HIS A 142 28.483 -0.840 -11.969 1.00 57.38 C ATOM 2036 C HIS A 142 28.809 0.652 -11.912 1.00 55.15 C ATOM 2037 O HIS A 142 29.961 1.056 -11.815 1.00 54.04 O ATOM 2038 CB HIS A 142 27.997 -1.264 -13.354 1.00 67.74 C ATOM 2039 CG HIS A 142 29.049 -1.029 -14.393 1.00 77.46 C ATOM 2040 ND1 HIS A 142 29.996 -1.973 -14.716 1.00 83.96 N ATOM 2041 CD2 HIS A 142 29.315 0.040 -15.178 1.00 80.21 C ATOM 2042 CE1 HIS A 142 30.806 -1.517 -15.656 1.00 81.85 C ATOM 2043 NE2 HIS A 142 30.414 -0.289 -15.951 1.00 84.51 N ATOM 2044 HA HIS A 142 29.416 -1.363 -11.761 1.00 0.00 H ATOM 2045 HB2 HIS A 142 27.747 -2.325 -13.334 1.00 0.00 H ATOM 2046 HB3 HIS A 142 27.108 -0.688 -13.611 1.00 0.00 H ATOM 2047 HD2 HIS A 142 28.767 0.982 -15.198 1.00 0.00 H ATOM 2048 HE1 HIS A 142 31.642 -2.054 -16.105 1.00 0.00 H ATOM 2049 H HIS A 142 26.676 -1.756 -11.272 1.00 0.00 H ATOM 2050 N ASP A 143 27.818 1.474 -11.788 1.00 50.98 N ATOM 2051 CA ASP A 143 27.825 2.878 -11.578 1.00 51.32 C ATOM 2052 C ASP A 143 28.410 3.353 -10.246 1.00 53.24 C ATOM 2053 O ASP A 143 29.261 4.257 -10.298 1.00 50.75 O ATOM 2054 CB ASP A 143 26.381 3.394 -11.681 1.00 60.96 C ATOM 2055 CG ASP A 143 25.905 3.463 -13.134 1.00 60.69 C ATOM 2056 OD1 ASP A 143 26.531 2.952 -14.104 1.00 56.79 O ATOM 2057 OD2 ASP A 143 24.829 4.089 -13.251 1.00 65.72 O ATOM 2058 HA ASP A 143 28.485 3.280 -12.347 1.00 0.00 H ATOM 2059 HB2 ASP A 143 25.726 2.723 -11.126 1.00 0.00 H ATOM 2060 HB3 ASP A 143 26.330 4.392 -11.245 1.00 0.00 H ATOM 2061 H ASP A 143 26.874 1.041 -11.852 1.00 0.00 H ATOM 2062 N VAL A 144 28.140 2.685 -9.131 1.00 51.27 N ATOM 2063 CA VAL A 144 28.791 3.044 -7.890 1.00 52.06 C ATOM 2064 C VAL A 144 30.288 2.741 -7.941 1.00 51.59 C ATOM 2065 O VAL A 144 31.021 3.627 -7.508 1.00 53.37 O ATOM 2066 CB VAL A 144 28.198 2.280 -6.708 1.00 47.82 C ATOM 2067 CG1 VAL A 144 29.191 2.209 -5.557 1.00 46.66 C ATOM 2068 CG2 VAL A 144 26.879 2.927 -6.334 1.00 47.52 C ATOM 2069 HA VAL A 144 28.631 4.114 -7.757 1.00 0.00 H ATOM 2070 HB VAL A 144 27.997 1.243 -6.978 1.00 0.00 H ATOM 2071 HG11 VAL A 144 30.094 1.697 -5.889 1.00 0.00 H ATOM 2072 HG12 VAL A 144 29.442 3.219 -5.233 1.00 0.00 H ATOM 2073 HG13 VAL A 144 28.745 1.660 -4.728 1.00 0.00 H ATOM 2074 HG21 VAL A 144 27.051 3.967 -6.058 1.00 0.00 H ATOM 2075 HG22 VAL A 144 26.200 2.883 -7.186 1.00 0.00 H ATOM 2076 HG23 VAL A 144 26.441 2.394 -5.490 1.00 0.00 H ATOM 2077 H VAL A 144 27.458 1.900 -9.150 1.00 0.00 H ATOM 2078 N ARG A 145 30.728 1.626 -8.478 1.00 51.83 N ATOM 2079 CA ARG A 145 32.132 1.257 -8.614 1.00 54.41 C ATOM 2080 C ARG A 145 32.890 2.328 -9.429 1.00 59.31 C ATOM 2081 O ARG A 145 33.940 2.871 -9.057 1.00 58.03 O ATOM 2082 CB ARG A 145 32.268 -0.068 -9.342 1.00 44.13 C ATOM 2083 CG ARG A 145 32.554 -1.339 -8.618 1.00 63.24 C ATOM 2084 CD ARG A 145 32.215 -2.625 -9.367 1.00 67.81 C ATOM 2085 NE ARG A 145 32.236 -2.610 -10.816 1.00 66.83 N ATOM 2086 CZ ARG A 145 31.415 -3.241 -11.658 1.00 77.32 C ATOM 2087 NH1 ARG A 145 30.405 -4.055 -11.331 1.00 72.77 N ATOM 2088 NH2 ARG A 145 31.593 -3.080 -12.971 1.00 64.19 N ATOM 2089 HA ARG A 145 32.552 1.176 -7.611 1.00 0.00 H ATOM 2090 HB2 ARG A 145 31.329 -0.223 -9.873 1.00 0.00 H ATOM 2091 HB3 ARG A 145 33.075 0.061 -10.064 1.00 0.00 H ATOM 2092 HG2 ARG A 145 33.619 -1.359 -8.385 1.00 0.00 H ATOM 2093 HG3 ARG A 145 31.981 -1.332 -7.691 1.00 0.00 H ATOM 2094 HD2 ARG A 145 31.210 -2.919 -9.063 1.00 0.00 H ATOM 2095 HD3 ARG A 145 32.928 -3.383 -9.043 1.00 0.00 H ATOM 2096 HE ARG A 145 32.984 -2.036 -11.254 1.00 0.00 H ATOM 2097 HH12 ARG A 145 29.828 -4.494 -12.077 1.00 0.00 H ATOM 2098 HH11 ARG A 145 30.196 -4.249 -10.331 1.00 0.00 H ATOM 2099 HH22 ARG A 145 30.964 -3.563 -13.644 1.00 0.00 H ATOM 2100 HH21 ARG A 145 32.361 -2.472 -13.321 1.00 0.00 H ATOM 2101 H ARG A 145 30.019 0.953 -8.834 1.00 0.00 H ATOM 2102 N GLY A 146 32.444 2.650 -10.647 1.00 62.48 N ATOM 2103 CA GLY A 146 32.868 3.728 -11.489 1.00 65.58 C ATOM 2104 C GLY A 146 33.043 5.089 -10.832 1.00 69.42 C ATOM 2105 O GLY A 146 34.051 5.728 -11.155 1.00 64.95 O ATOM 2106 HA3 GLY A 146 32.128 3.838 -12.281 1.00 0.00 H ATOM 2107 HA2 GLY A 146 33.827 3.447 -11.925 1.00 0.00 H ATOM 2108 H GLY A 146 31.694 2.041 -11.032 1.00 0.00 H ATOM 2109 N ALA A 147 32.176 5.559 -9.951 1.00 75.11 N ATOM 2110 CA ALA A 147 32.276 6.847 -9.294 1.00 82.97 C ATOM 2111 C ALA A 147 33.313 6.929 -8.179 1.00 87.74 C ATOM 2112 O ALA A 147 33.732 8.032 -7.807 1.00 87.13 O ATOM 2113 CB ALA A 147 30.938 7.273 -8.682 1.00 78.53 C ATOM 2114 HA ALA A 147 32.589 7.510 -10.101 1.00 0.00 H ATOM 2115 HB1 ALA A 147 30.187 7.345 -9.468 1.00 0.00 H ATOM 2116 HB2 ALA A 147 30.625 6.533 -7.945 1.00 0.00 H ATOM 2117 HB3 ALA A 147 31.053 8.243 -8.199 1.00 0.00 H ATOM 2118 H ALA A 147 31.361 4.959 -9.712 1.00 0.00 H ATOM 2119 N ILE A 148 33.647 5.790 -7.567 1.00 91.91 N ATOM 2120 CA ILE A 148 34.579 5.846 -6.439 1.00 94.78 C ATOM 2121 C ILE A 148 36.005 5.601 -6.889 1.00 95.49 C ATOM 2122 O ILE A 148 36.892 6.403 -6.506 1.00 99.39 O ATOM 2123 CB ILE A 148 34.173 4.976 -5.247 1.00 97.74 C ATOM 2124 CG1 ILE A 148 34.305 3.475 -5.518 1.00100.20 C ATOM 2125 CG2 ILE A 148 32.748 5.294 -4.805 1.00 91.65 C ATOM 2126 CD1 ILE A 148 34.218 2.668 -4.227 1.00101.00 C ATOM 2127 HA ILE A 148 34.527 6.865 -6.056 1.00 0.00 H ATOM 2128 OXT ILE A 148 36.359 4.730 -7.702 1.00 75.37 O ATOM 2129 HB ILE A 148 34.872 5.220 -4.447 1.00 0.00 H ATOM 2130 HG12 ILE A 148 33.503 3.163 -6.187 1.00 0.00 H ATOM 2131 HG13 ILE A 148 35.267 3.283 -5.993 1.00 0.00 H ATOM 2132 HD11 ILE A 148 35.021 2.971 -3.556 1.00 0.00 H ATOM 2133 HD12 ILE A 148 33.255 2.851 -3.750 1.00 0.00 H ATOM 2134 HD13 ILE A 148 34.315 1.607 -4.456 1.00 0.00 H ATOM 2135 HG21 ILE A 148 32.685 6.342 -4.513 1.00 0.00 H ATOM 2136 HG22 ILE A 148 32.062 5.103 -5.630 1.00 0.00 H ATOM 2137 HG23 ILE A 148 32.483 4.663 -3.957 1.00 0.00 H ATOM 2138 H ILE A 148 33.253 4.882 -7.885 1.00 0.00 H TER 2139 ILE A 148 HETATM 2140 O HOH 1 23.144 6.738 -2.190 1.00 33.37 O HETATM 2141 O HOH 2 17.938 -7.765 8.476 1.00 35.71 O HETATM 2142 O HOH 3 29.830 -5.381 14.410 1.00 47.79 O HETATM 2143 O HOH 4 35.495 5.777 2.046 1.00 40.90 O HETATM 2144 O HOH 5 10.048 -4.506 -2.876 1.00 36.84 O HETATM 2145 O HOH 6 20.564 -12.119 -8.962 1.00 55.05 O HETATM 2146 O HOH 7 11.112 -14.075 -6.628 1.00 55.89 O HETATM 2147 O HOH 8 24.933 8.348 17.330 1.00 73.82 O HETATM 2148 O HOH 9 15.142 -2.910 16.290 1.00 49.20 O HETATM 2149 O HOH 10 30.896 -11.671 2.922 1.00 46.07 O HETATM 2150 O HOH 11 35.599 13.431 11.436 1.00 41.09 O HETATM 2151 O HOH 12 17.878 -6.609 15.529 1.00 67.90 O HETATM 2152 O HOH 13 4.825 5.437 3.695 1.00 41.92 O HETATM 2153 O HOH 14 36.332 6.936 10.508 1.00 37.56 O HETATM 2154 O HOH 15 27.979 15.223 3.544 1.00 52.11 O HETATM 2155 O HOH 16 12.275 -12.634 8.691 1.00 49.72 O HETATM 2156 O HOH 17 9.998 -1.929 11.741 1.00 49.76 O HETATM 2157 O HOH 18 4.393 4.726 9.903 1.00 51.67 O HETATM 2158 O HOH 19 14.143 -9.770 10.366 1.00 44.92 O HETATM 2159 O HOH 20 27.601 0.395 18.734 1.00 56.02 O HETATM 2160 O HOH 21 18.194 -10.389 6.814 1.00 47.42 O HETATM 2161 O HOH 22 25.696 -9.833 -9.269 1.00 50.90 O HETATM 2162 O HOH 23 1.319 4.621 3.442 1.00 53.59 O HETATM 2163 O HOH 24 10.551 -13.098 -10.420 1.00 56.97 O HETATM 2164 O HOH 25 6.956 -7.770 -7.452 1.00 50.86 O HETATM 2165 O HOH 26 12.061 -1.093 -9.284 1.00 59.12 O HETATM 2166 O HOH 27 37.253 7.558 5.845 1.00 47.21 O HETATM 2167 O HOH 28 40.600 2.495 10.238 1.00 41.72 O HETATM 2168 O HOH 29 10.463 -2.956 17.469 1.00 50.76 O HETATM 2169 O HOH 30 25.424 -11.639 8.477 1.00 51.44 O HETATM 2170 O HOH 31 0.223 -1.816 4.637 1.00 62.73 O HETATM 2171 N1 NON A 32 7.365 0.105 0.952 1.00 -0.19 N HETATM 2172 C2 NON A 32 7.828 1.339 0.677 1.00 0.32 C HETATM 2173 O2 NON A 32 8.520 1.728 -0.401 1.00 -0.39 O HETATM 2174 N3 NON A 32 7.405 2.221 1.595 1.00 -0.19 N HETATM 2175 C4 NON A 32 6.664 1.899 2.667 1.00 0.20 C HETATM 2176 O4 NON A 32 6.115 2.578 3.768 1.00 -0.42 O HETATM 2177 C4A NON A 32 6.262 0.501 2.953 1.00 0.13 C HETATM 2178 N5 NON A 32 5.525 0.238 4.096 1.00 -0.32 N HETATM 2179 C5A NON A 32 5.131 -1.123 4.236 1.00 0.06 C HETATM 2180 C6 NON A 32 4.326 -1.387 5.393 1.00 -0.06 C HETATM 2181 C7 NON A 32 3.842 -2.666 5.612 1.00 -0.07 C HETATM 2182 C7M NON A 32 2.994 -3.048 6.713 1.00 -0.04 C HETATM 2183 H5 NON A 32 2.783 -2.166 7.336 1.00 0.04 H HETATM 2184 H6 NON A 32 3.502 -3.812 7.319 1.00 0.04 H HETATM 2185 H7 NON A 32 2.050 -3.457 6.324 1.00 0.04 H HETATM 2186 C8 NON A 32 4.212 -3.686 4.708 1.00 -0.07 C HETATM 2187 C8M NON A 32 3.704 -4.990 5.083 1.00 -0.04 C HETATM 2188 H8 NON A 32 4.026 -5.736 4.342 1.00 0.03 H HETATM 2189 H9 NON A 32 2.605 -4.959 5.119 1.00 0.03 H HETATM 2190 H10 NON A 32 4.095 -5.265 6.074 1.00 0.03 H HETATM 2191 C9 NON A 32 5.034 -3.394 3.592 1.00 -0.06 C HETATM 2192 C9A NON A 32 5.523 -2.099 3.287 1.00 0.07 C HETATM 2193 N10 NON A 32 6.338 -1.794 2.190 1.00 -0.24 N HETATM 2194 C10 NON A 32 6.657 -0.376 2.010 1.00 0.19 C HETATM 2195 C1 NON A 32 6.848 -2.557 1.159 1.00 0.07 C HETATM 2196 C2 NON A 32 7.860 -3.575 1.680 1.00 0.11 C HETATM 2197 O2 NON A 32 9.046 -2.935 2.175 1.00 -0.39 O HETATM 2198 H15 NON A 32 8.815 -2.350 2.887 1.00 0.21 H HETATM 2199 C3 NON A 32 8.297 -4.483 0.500 1.00 0.11 C HETATM 2200 O3 NON A 32 7.748 -5.785 0.730 1.00 -0.39 O HETATM 2201 H17 NON A 32 8.001 -6.364 0.020 1.00 0.21 H HETATM 2202 C4 NON A 32 9.737 -4.627 0.351 1.00 0.11 C HETATM 2203 O4 NON A 32 10.194 -5.475 -0.741 1.00 -0.39 O HETATM 2204 H19 NON A 32 11.144 -5.498 -0.746 1.00 0.21 H HETATM 2205 C5 NON A 32 10.243 -5.526 1.397 1.00 0.11 C HETATM 2206 O5 NON A 32 11.560 -5.652 0.819 1.00 -0.27 O HETATM 2207 P NON A 32 12.513 -6.775 1.530 1.00 0.20 P HETATM 2208 O1P NON A 32 12.504 -6.796 3.158 1.00 -0.55 O HETATM 2209 O2P NON A 32 14.101 -6.504 1.081 1.00 -0.55 O HETATM 2210 O3P NON A 32 12.236 -8.517 1.254 1.00 -0.55 O HETATM 2211 H20 NON A 32 9.700 -6.482 1.442 1.00 0.06 H HETATM 2212 H21 NON A 32 10.254 -5.062 2.394 1.00 0.06 H HETATM 2213 H18 NON A 32 10.210 -3.634 0.342 1.00 0.06 H HETATM 2214 H16 NON A 32 7.890 -4.065 -0.432 1.00 0.06 H HETATM 2215 H14 NON A 32 7.399 -4.176 2.478 1.00 0.06 H HETATM 2216 H12 NON A 32 7.344 -1.896 0.433 1.00 0.06 H HETATM 2217 H13 NON A 32 6.023 -3.091 0.664 1.00 0.06 H HETATM 2218 H11 NON A 32 5.305 -4.210 2.932 1.00 0.04 H HETATM 2219 H4 NON A 32 4.098 -0.590 6.092 1.00 0.04 H HETATM 2220 H3 NON A 32 5.283 0.964 4.785 1.00 0.18 H HETATM 2221 H2 NON A 32 7.658 3.181 1.473 1.00 0.22 H HETATM 2222 H1 NON A 32 7.579 -0.580 0.255 1.00 0.24 H CONECT 2171 2172 2194 2222 CONECT 2172 2171 2173 2174 CONECT 2173 2172 CONECT 2174 2172 2175 2221 CONECT 2175 2174 2176 2177 CONECT 2176 2175 CONECT 2177 2175 2178 2194 CONECT 2178 2177 2179 2220 CONECT 2179 2178 2180 2192 CONECT 2180 2179 2181 2219 CONECT 2181 2180 2182 2186 CONECT 2182 2181 2183 2184 2185 CONECT 2183 2182 CONECT 2184 2182 CONECT 2185 2182 CONECT 2186 2181 2187 2191 CONECT 2187 2186 2188 2189 2190 CONECT 2188 2187 CONECT 2189 2187 CONECT 2190 2187 CONECT 2191 2186 2192 2218 CONECT 2192 2179 2191 2193 CONECT 2193 2192 2194 2195 CONECT 2194 2171 2177 2193 CONECT 2195 2193 2196 2216 2217 CONECT 2196 2195 2197 2199 2215 CONECT 2197 2196 2198 CONECT 2198 2197 CONECT 2199 2196 2200 2202 2214 CONECT 2200 2199 2201 CONECT 2201 2200 CONECT 2202 2199 2203 2205 2213 CONECT 2203 2202 2204 CONECT 2204 2203 CONECT 2205 2202 2206 2211 2212 CONECT 2206 2205 2207 CONECT 2207 2206 2208 2209 2210 CONECT 2208 2207 CONECT 2209 2207 CONECT 2210 2207 CONECT 2211 2205 CONECT 2212 2205 CONECT 2213 2202 CONECT 2214 2199 CONECT 2215 2196 CONECT 2216 2195 CONECT 2217 2195 CONECT 2218 2191 CONECT 2219 2180 CONECT 2220 2178 CONECT 2221 2174 CONECT 2222 2171 MASTER 0 0 0 0 0 0 0 0 2221 1 52 12 END
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Structure:
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Related entries of code: 1c7e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1akq
RCSB PDB
PDBbind
147aa, >1AKQ_1|Chain... *
1akr
RCSB PDB
PDBbind
147aa, >1AKR_1|Chain... at 98%
1akt
RCSB PDB
PDBbind
147aa, >1AKT_1|Chain... at 98%
1aku
RCSB PDB
PDBbind
147aa, >1AKU_1|Chain... at 100%
1akv
RCSB PDB
PDBbind
147aa, >1AKV_1|Chain... at 100%
1akw
RCSB PDB
PDBbind
147aa, >1AKW_1|Chain... at 98%
1azl
RCSB PDB
PDBbind
147aa, >1AZL_1|Chain... at 98%
1c7f
RCSB PDB
PDBbind
147aa, >1C7F_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aku
RCSB PDB
PDBbind
FMN hq
1czo
RCSB PDB
PDBbind
FMN hq
1d04
RCSB PDB
PDBbind
FMN hq
Entry Information
PDB ID
1c7e
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
flavodoxin
Ligand Name
FMN hq
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd=505nM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v41 pp. 10950-62, 2002
Ligand Properties
Formula
C
1
7
H
2
4
N
4
O
9
P
Molecular Weight
459.368
Exact Mass
459.128
No. of atoms
55
No. of bonds
57
Polar Surface Area
230.64
LOGP Value
-2.43 (
Computed with XLOGP3
)
-1.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H]([C@@H]([C@@H](COP(O)(O)O)O)O)O)c1c([nH]2)cc(c(c1)C)C
InChI String
InChI=1S/C17H25N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24,27-29,31H,5-6H2,1-2H3,(H2,19,20,25,26)/t11-,12+,14-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00323
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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