Browse entries in the PDBbind-CN Database
HEADER 6AOY_COMPLEX COMPND 6AOY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 157 PHE SER CYS ASN VAL ASP GLY GLY SER SER ILE GLY ALA SEQRES 2 B 157 GLY THR THR SER VAL TYR VAL ASN LEU ASP PRO VAL ILE SEQRES 3 B 157 GLN PRO GLY GLN ASN LEU VAL VAL ASP LEU SER GLN HIS SEQRES 4 B 157 ILE SER CYS TRP ASN ASP TYR GLY GLY TRP TYR ASP THR SEQRES 5 B 157 ASP HIS ILE ASN LEU VAL GLN GLY SER ALA PHE ALA GLY SEQRES 6 B 157 SER LEU GLN SER TYR LYS GLY SER LEU TYR TRP ASN ASN SEQRES 7 B 157 VAL THR TYR PRO PHE PRO LEU THR THR ASN THR ASN VAL SEQRES 8 B 157 LEU ASP ILE GLY ASP LYS THR PRO MET PRO LEU PRO LEU SEQRES 9 B 157 LYS LEU TYR ILE THR PRO VAL GLY ALA ALA GLY GLY VAL SEQRES 10 B 157 VAL ILE LYS ALA GLY GLU VAL ILE ALA ARG ILE HIS MET SEQRES 11 B 157 TYR LYS ILE ALA THR LEU GLY SER GLY ASN PRO ARG ASN SEQRES 12 B 157 PHE THR TRP ASN ILE ILE SER ASN ASN SER VAL VAL MET SEQRES 13 B 157 PRO HET MOL A 291 36 SSBOND 1 CYS B 3 CYS B 42 ATOM 1 N PHE B 1 35.684 -34.081 12.907 1.00 29.94 N ATOM 2 CA PHE B 1 36.893 -33.265 12.858 1.00 27.93 C ATOM 3 C PHE B 1 37.398 -32.952 14.260 1.00 26.31 C ATOM 4 O PHE B 1 36.626 -32.559 15.134 1.00 26.27 O ATOM 5 CB PHE B 1 36.636 -31.969 12.087 1.00 25.07 C ATOM 6 CG PHE B 1 37.828 -31.050 12.025 1.00 22.91 C ATOM 7 CD1 PHE B 1 37.925 -29.959 12.875 1.00 25.21 C ATOM 8 CD2 PHE B 1 38.847 -31.278 11.115 1.00 24.20 C ATOM 9 CE1 PHE B 1 39.016 -29.112 12.817 1.00 19.58 C ATOM 10 CE2 PHE B 1 39.942 -30.436 11.053 1.00 25.62 C ATOM 11 CZ PHE B 1 40.025 -29.351 11.908 1.00 21.32 C ATOM 12 HN3 PHE B 1 34.941 -33.567 13.423 1.00 0.00 H ATOM 13 HN2 PHE B 1 35.891 -34.976 13.395 1.00 0.00 H ATOM 14 HN1 PHE B 1 35.362 -34.279 11.938 1.00 0.00 H ATOM 15 N SER B 2 38.699 -33.125 14.467 1.00 24.84 N ATOM 16 CA SER B 2 39.301 -32.887 15.773 1.00 23.11 C ATOM 17 C SER B 2 40.685 -32.264 15.648 1.00 23.65 C ATOM 18 O SER B 2 41.366 -32.444 14.639 1.00 21.89 O ATOM 19 CB SER B 2 39.395 -34.193 16.565 1.00 26.07 C ATOM 20 OG SER B 2 38.116 -34.776 16.745 1.00 36.61 O ATOM 21 HG SER B 2 37.716 -34.970 15.861 1.00 0.00 H ATOM 22 H SER B 2 39.302 -33.437 13.679 1.00 0.00 H ATOM 23 N CYS B 3 41.092 -31.531 16.680 1.00 18.34 N ATOM 24 CA CYS B 3 42.439 -30.977 16.752 1.00 20.57 C ATOM 25 C CYS B 3 43.055 -31.270 18.109 1.00 22.44 C ATOM 26 O CYS B 3 42.351 -31.625 19.052 1.00 24.75 O ATOM 27 CB CYS B 3 42.431 -29.466 16.518 1.00 21.53 C ATOM 28 SG CYS B 3 41.844 -28.943 14.909 1.00 20.91 S ATOM 29 H CYS B 3 40.429 -31.347 17.460 1.00 0.00 H ATOM 30 N ASN B 4 44.371 -31.116 18.210 1.00 22.02 N ATOM 31 CA ASN B 4 45.019 -31.112 19.514 1.00 22.81 C ATOM 32 C ASN B 4 46.244 -30.208 19.517 1.00 23.01 C ATOM 33 O ASN B 4 46.736 -29.801 18.462 1.00 23.21 O ATOM 34 CB ASN B 4 45.389 -32.538 19.952 1.00 24.27 C ATOM 35 CG ASN B 4 46.456 -33.176 19.080 1.00 25.44 C ATOM 36 OD1 ASN B 4 46.854 -32.632 18.051 1.00 27.69 O ATOM 37 ND2 ASN B 4 46.915 -34.355 19.489 1.00 26.17 N ATOM 38 HD22 ASN B 4 46.551 -34.779 20.366 1.00 0.00 H ATOM 39 HD21 ASN B 4 47.638 -34.853 18.932 1.00 0.00 H ATOM 40 H ASN B 4 44.943 -30.997 17.350 1.00 0.00 H ATOM 41 N VAL B 5 46.720 -29.889 20.714 1.00 21.92 N ATOM 42 CA VAL B 5 47.880 -29.029 20.884 1.00 20.40 C ATOM 43 C VAL B 5 48.981 -29.792 21.610 1.00 24.39 C ATOM 44 O VAL B 5 48.750 -30.340 22.688 1.00 26.22 O ATOM 45 CB VAL B 5 47.525 -27.752 21.673 1.00 23.22 C ATOM 46 CG1 VAL B 5 48.770 -26.909 21.920 1.00 22.89 C ATOM 47 CG2 VAL B 5 46.455 -26.949 20.936 1.00 20.04 C ATOM 48 H VAL B 5 46.247 -30.267 21.560 1.00 0.00 H ATOM 49 N ASP B 6 50.166 -29.832 21.005 1.00 22.62 N ATOM 50 CA ASP B 6 51.313 -30.545 21.565 1.00 24.96 C ATOM 51 C ASP B 6 50.983 -32.001 21.896 1.00 27.02 C ATOM 52 O ASP B 6 51.435 -32.532 22.907 1.00 29.48 O ATOM 53 CB ASP B 6 51.827 -29.830 22.817 1.00 20.01 C ATOM 54 CG ASP B 6 52.432 -28.474 22.509 1.00 24.78 C ATOM 55 OD1 ASP B 6 52.933 -28.282 21.381 1.00 24.01 O ATOM 56 OD2 ASP B 6 52.410 -27.600 23.401 1.00 23.78 O ATOM 57 H ASP B 6 50.280 -29.336 20.098 1.00 0.00 H ATOM 58 N GLY B 7 50.188 -32.637 21.040 1.00 27.74 N ATOM 59 CA GLY B 7 49.826 -34.031 21.226 1.00 32.09 C ATOM 60 C GLY B 7 48.868 -34.267 22.378 1.00 29.61 C ATOM 61 O GLY B 7 48.732 -35.393 22.858 1.00 36.68 O ATOM 62 H GLY B 7 49.816 -32.123 20.216 1.00 0.00 H ATOM 63 N GLY B 8 48.198 -33.207 22.818 1.00 30.51 N ATOM 64 CA GLY B 8 47.263 -33.293 23.926 1.00 30.11 C ATOM 65 C GLY B 8 45.945 -33.943 23.548 1.00 25.67 C ATOM 66 O GLY B 8 45.835 -34.581 22.500 1.00 30.17 O ATOM 67 H GLY B 8 48.348 -32.288 22.355 1.00 0.00 H ATOM 68 N SER B 9 44.941 -33.781 24.404 1.00 23.59 N ATOM 69 CA SER B 9 43.632 -34.385 24.170 1.00 29.78 C ATOM 70 C SER B 9 42.919 -33.700 23.008 1.00 29.83 C ATOM 71 O SER B 9 43.253 -32.575 22.642 1.00 25.48 O ATOM 72 CB SER B 9 42.773 -34.318 25.432 1.00 32.07 C ATOM 73 OG SER B 9 42.432 -32.979 25.747 1.00 40.38 O ATOM 74 HG SER B 9 41.877 -32.965 26.567 1.00 0.00 H ATOM 75 H SER B 9 45.091 -33.211 25.261 1.00 0.00 H ATOM 76 N SER B 10 41.932 -34.385 22.436 1.00 25.88 N ATOM 77 CA SER B 10 41.264 -33.903 21.230 1.00 29.71 C ATOM 78 C SER B 10 40.314 -32.739 21.497 1.00 27.14 C ATOM 79 O SER B 10 39.655 -32.678 22.535 1.00 26.61 O ATOM 80 CB SER B 10 40.506 -35.047 20.558 1.00 28.96 C ATOM 81 OG SER B 10 41.408 -36.042 20.102 1.00 36.09 O ATOM 82 HG SER B 10 40.900 -36.774 19.670 1.00 0.00 H ATOM 83 H SER B 10 41.629 -35.286 22.858 1.00 0.00 H ATOM 84 N ILE B 11 40.251 -31.821 20.537 1.00 26.11 N ATOM 85 CA ILE B 11 39.428 -30.621 20.641 1.00 25.32 C ATOM 86 C ILE B 11 38.450 -30.555 19.470 1.00 23.83 C ATOM 87 O ILE B 11 38.852 -30.691 18.316 1.00 23.07 O ATOM 88 CB ILE B 11 40.298 -29.347 20.657 1.00 24.44 C ATOM 89 CG1 ILE B 11 41.431 -29.491 21.675 1.00 24.77 C ATOM 90 CG2 ILE B 11 39.451 -28.111 20.942 1.00 26.76 C ATOM 91 CD1 ILE B 11 42.545 -28.489 21.486 1.00 23.81 C ATOM 92 H ILE B 11 40.813 -31.965 19.674 1.00 0.00 H ATOM 93 N GLY B 12 37.170 -30.346 19.768 1.00 23.06 N ATOM 94 CA GLY B 12 36.145 -30.311 18.738 1.00 24.67 C ATOM 95 C GLY B 12 35.694 -28.907 18.372 1.00 24.73 C ATOM 96 O GLY B 12 35.161 -28.685 17.281 1.00 22.09 O ATOM 97 H GLY B 12 36.897 -30.204 20.761 1.00 0.00 H ATOM 98 N ALA B 13 35.912 -27.970 19.292 1.00 22.13 N ATOM 99 CA ALA B 13 35.564 -26.563 19.106 1.00 22.48 C ATOM 100 C ALA B 13 36.043 -25.751 20.304 1.00 25.21 C ATOM 101 O ALA B 13 36.526 -26.310 21.287 1.00 24.67 O ATOM 102 CB ALA B 13 34.059 -26.390 18.919 1.00 24.68 C ATOM 103 H ALA B 13 36.353 -28.254 20.190 1.00 0.00 H ATOM 104 N GLY B 14 35.912 -24.432 20.218 1.00 21.67 N ATOM 105 CA GLY B 14 36.190 -23.572 21.352 1.00 20.91 C ATOM 106 C GLY B 14 37.562 -22.924 21.360 1.00 21.56 C ATOM 107 O GLY B 14 38.319 -23.010 20.392 1.00 19.02 O ATOM 108 H GLY B 14 35.604 -24.008 19.320 1.00 0.00 H ATOM 109 N THR B 15 37.880 -22.275 22.475 1.00 19.65 N ATOM 110 CA THR B 15 39.126 -21.532 22.613 1.00 18.03 C ATOM 111 C THR B 15 40.179 -22.361 23.345 1.00 20.17 C ATOM 112 O THR B 15 39.910 -22.922 24.406 1.00 20.94 O ATOM 113 CB THR B 15 38.900 -20.210 23.361 1.00 19.71 C ATOM 114 OG1 THR B 15 37.952 -19.410 22.641 1.00 23.87 O ATOM 115 CG2 THR B 15 40.204 -19.440 23.498 1.00 22.57 C ATOM 116 HG1 THR B 15 37.095 -19.900 22.570 1.00 0.00 H ATOM 117 H THR B 15 37.217 -22.298 23.276 1.00 0.00 H ATOM 118 N THR B 16 41.374 -22.435 22.767 1.00 21.08 N ATOM 119 CA THR B 16 42.457 -23.235 23.331 1.00 15.57 C ATOM 120 C THR B 16 43.747 -22.430 23.363 1.00 24.51 C ATOM 121 O THR B 16 44.082 -21.741 22.402 1.00 19.46 O ATOM 122 CB THR B 16 42.681 -24.534 22.520 1.00 18.33 C ATOM 123 OG1 THR B 16 41.455 -25.271 22.449 1.00 20.88 O ATOM 124 CG2 THR B 16 43.755 -25.407 23.165 1.00 20.66 C ATOM 125 HG1 THR B 16 41.156 -25.501 23.364 1.00 0.00 H ATOM 126 H THR B 16 41.542 -21.907 21.887 1.00 0.00 H ATOM 127 N SER B 17 44.463 -22.508 24.479 1.00 18.87 N ATOM 128 CA SER B 17 45.755 -21.854 24.594 1.00 19.54 C ATOM 129 C SER B 17 46.827 -22.645 23.855 1.00 19.18 C ATOM 130 O SER B 17 46.878 -23.872 23.936 1.00 18.05 O ATOM 131 CB SER B 17 46.139 -21.680 26.064 1.00 21.97 C ATOM 132 OG SER B 17 45.323 -20.700 26.683 1.00 26.12 O ATOM 133 HG SER B 17 45.438 -19.834 26.217 1.00 0.00 H ATOM 134 H SER B 17 44.091 -23.048 25.286 1.00 0.00 H ATOM 135 N VAL B 18 47.672 -21.935 23.119 1.00 16.66 N ATOM 136 CA VAL B 18 48.794 -22.559 22.433 1.00 17.46 C ATOM 137 C VAL B 18 50.081 -21.873 22.875 1.00 18.32 C ATOM 138 O VAL B 18 50.314 -20.710 22.552 1.00 18.65 O ATOM 139 CB VAL B 18 48.651 -22.480 20.901 1.00 17.67 C ATOM 140 CG1 VAL B 18 49.819 -23.174 20.225 1.00 18.74 C ATOM 141 CG2 VAL B 18 47.331 -23.106 20.447 1.00 17.02 C ATOM 142 H VAL B 18 47.530 -20.909 23.030 1.00 0.00 H ATOM 143 N TYR B 19 50.903 -22.595 23.629 1.00 18.28 N ATOM 144 CA TYR B 19 52.104 -22.019 24.228 1.00 20.68 C ATOM 145 C TYR B 19 53.309 -22.139 23.304 1.00 20.65 C ATOM 146 O TYR B 19 53.606 -23.217 22.795 1.00 19.49 O ATOM 147 CB TYR B 19 52.397 -22.692 25.573 1.00 23.49 C ATOM 148 CG TYR B 19 51.246 -22.578 26.546 1.00 25.24 C ATOM 149 CD1 TYR B 19 51.149 -21.501 27.419 1.00 27.31 C ATOM 150 CD2 TYR B 19 50.242 -23.538 26.575 1.00 29.92 C ATOM 151 CE1 TYR B 19 50.086 -21.392 28.304 1.00 30.17 C ATOM 152 CE2 TYR B 19 49.180 -23.438 27.451 1.00 29.70 C ATOM 153 CZ TYR B 19 49.104 -22.367 28.311 1.00 28.00 C ATOM 154 OH TYR B 19 48.039 -22.279 29.180 1.00 35.47 O ATOM 155 HH TYR B 19 47.195 -22.242 28.663 1.00 0.00 H ATOM 156 H TYR B 19 50.685 -23.598 23.797 1.00 0.00 H ATOM 157 N VAL B 20 54.005 -21.026 23.094 1.00 18.00 N ATOM 158 CA VAL B 20 55.138 -21.006 22.177 1.00 18.31 C ATOM 159 C VAL B 20 56.375 -20.383 22.811 1.00 20.71 C ATOM 160 O VAL B 20 56.274 -19.498 23.660 1.00 18.50 O ATOM 161 CB VAL B 20 54.805 -20.237 20.877 1.00 17.44 C ATOM 162 CG1 VAL B 20 53.644 -20.895 20.154 1.00 18.87 C ATOM 163 CG2 VAL B 20 54.491 -18.770 21.174 1.00 17.83 C ATOM 164 H VAL B 20 53.736 -20.154 23.593 1.00 0.00 H ATOM 165 N ASN B 21 57.542 -20.866 22.398 1.00 19.79 N ATOM 166 CA ASN B 21 58.810 -20.277 22.804 1.00 22.54 C ATOM 167 C ASN B 21 59.281 -19.265 21.771 1.00 26.77 C ATOM 168 O ASN B 21 59.355 -19.569 20.580 1.00 31.86 O ATOM 169 CB ASN B 21 59.870 -21.361 23.002 1.00 23.58 C ATOM 170 CG ASN B 21 59.500 -22.341 24.092 1.00 25.07 C ATOM 171 OD1 ASN B 21 59.115 -21.947 25.192 1.00 26.60 O ATOM 172 ND2 ASN B 21 59.612 -23.629 23.793 1.00 35.52 N ATOM 173 HD22 ASN B 21 59.942 -23.917 22.850 1.00 0.00 H ATOM 174 HD21 ASN B 21 59.370 -24.350 24.502 1.00 0.00 H ATOM 175 H ASN B 21 57.550 -21.691 21.765 1.00 0.00 H ATOM 176 N LEU B 22 59.595 -18.060 22.229 1.00 23.36 N ATOM 177 CA LEU B 22 60.038 -16.998 21.338 1.00 23.00 C ATOM 178 C LEU B 22 61.491 -16.637 21.612 1.00 24.69 C ATOM 179 O LEU B 22 61.952 -16.744 22.748 1.00 19.94 O ATOM 180 CB LEU B 22 59.148 -15.766 21.497 1.00 25.72 C ATOM 181 CG LEU B 22 57.674 -15.994 21.164 1.00 25.19 C ATOM 182 CD1 LEU B 22 56.861 -14.749 21.457 1.00 27.93 C ATOM 183 CD2 LEU B 22 57.533 -16.398 19.709 1.00 25.14 C ATOM 184 H LEU B 22 59.523 -17.870 23.249 1.00 0.00 H ATOM 185 N ASP B 23 62.201 -16.236 20.558 1.00 25.11 N ATOM 186 CA ASP B 23 63.549 -15.681 20.665 1.00 25.65 C ATOM 187 C ASP B 23 63.579 -14.658 21.795 1.00 22.50 C ATOM 188 O ASP B 23 62.925 -13.625 21.709 1.00 22.54 O ATOM 189 CB ASP B 23 63.958 -15.034 19.337 1.00 28.52 C ATOM 190 CG ASP B 23 65.460 -14.875 19.191 1.00 35.92 C ATOM 191 OD1 ASP B 23 66.185 -14.971 20.202 1.00 33.08 O ATOM 192 OD2 ASP B 23 65.915 -14.646 18.050 1.00 36.92 O ATOM 193 H ASP B 23 61.775 -16.322 19.613 1.00 0.00 H ATOM 194 N PRO B 24 64.322 -14.956 22.872 1.00 25.16 N ATOM 195 CA PRO B 24 64.242 -14.169 24.109 1.00 20.72 C ATOM 196 C PRO B 24 64.883 -12.789 24.017 1.00 22.31 C ATOM 197 O PRO B 24 64.576 -11.926 24.837 1.00 22.26 O ATOM 198 CB PRO B 24 64.996 -15.037 25.118 1.00 20.32 C ATOM 199 CG PRO B 24 65.972 -15.794 24.289 1.00 26.32 C ATOM 200 CD PRO B 24 65.258 -16.087 23.000 1.00 24.67 C ATOM 201 N VAL B 25 65.777 -12.600 23.052 1.00 21.86 N ATOM 202 CA VAL B 25 66.462 -11.327 22.863 1.00 22.04 C ATOM 203 C VAL B 25 66.561 -11.007 21.379 1.00 25.84 C ATOM 204 O VAL B 25 67.128 -11.779 20.608 1.00 28.60 O ATOM 205 CB VAL B 25 67.885 -11.334 23.475 1.00 22.78 C ATOM 206 CG1 VAL B 25 68.577 -10.005 23.223 1.00 26.84 C ATOM 207 CG2 VAL B 25 67.830 -11.628 24.966 1.00 23.93 C ATOM 208 H VAL B 25 65.996 -13.388 22.409 1.00 0.00 H ATOM 209 N ILE B 26 65.994 -9.875 20.975 1.00 28.50 N ATOM 210 CA ILE B 26 66.044 -9.474 19.574 1.00 30.35 C ATOM 211 C ILE B 26 66.495 -8.026 19.426 1.00 35.95 C ATOM 212 O ILE B 26 66.195 -7.181 20.267 1.00 37.12 O ATOM 213 CB ILE B 26 64.676 -9.647 18.877 1.00 35.37 C ATOM 214 CG1 ILE B 26 63.605 -8.802 19.565 1.00 34.10 C ATOM 215 CG2 ILE B 26 64.266 -11.113 18.847 1.00 32.81 C ATOM 216 CD1 ILE B 26 62.256 -8.852 18.876 1.00 29.96 C ATOM 217 H ILE B 26 65.509 -9.268 21.666 1.00 0.00 H ATOM 218 N GLN B 27 67.224 -7.748 18.352 1.00 38.37 N ATOM 219 CA GLN B 27 67.650 -6.388 18.053 1.00 42.62 C ATOM 220 C GLN B 27 66.522 -5.645 17.344 1.00 44.31 C ATOM 221 O GLN B 27 65.657 -6.272 16.734 1.00 45.41 O ATOM 222 CB GLN B 27 68.919 -6.399 17.198 1.00 41.54 C ATOM 223 CG GLN B 27 70.083 -7.141 17.835 1.00 45.17 C ATOM 224 CD GLN B 27 71.370 -6.998 17.046 1.00 52.64 C ATOM 225 OE1 GLN B 27 71.438 -7.371 15.875 1.00 56.69 O ATOM 226 NE2 GLN B 27 72.400 -6.454 17.686 1.00 51.60 N ATOM 227 HE22 GLN B 27 72.297 -6.153 18.676 1.00 0.00 H ATOM 228 HE21 GLN B 27 73.309 -6.329 17.197 1.00 0.00 H ATOM 229 H GLN B 27 67.497 -8.519 17.710 1.00 0.00 H ATOM 230 N PRO B 28 66.513 -4.305 17.439 1.00 48.24 N ATOM 231 CA PRO B 28 65.492 -3.530 16.725 1.00 47.07 C ATOM 232 C PRO B 28 65.563 -3.768 15.221 1.00 47.42 C ATOM 233 O PRO B 28 66.639 -3.665 14.631 1.00 50.24 O ATOM 234 CB PRO B 28 65.842 -2.079 17.070 1.00 50.33 C ATOM 235 CG PRO B 28 66.621 -2.163 18.337 1.00 45.26 C ATOM 236 CD PRO B 28 67.388 -3.446 18.255 1.00 47.61 C ATOM 237 N GLY B 29 64.429 -4.096 14.613 1.00 49.24 N ATOM 238 CA GLY B 29 64.392 -4.379 13.191 1.00 50.00 C ATOM 239 C GLY B 29 64.351 -5.864 12.890 1.00 50.00 C ATOM 240 O GLY B 29 64.085 -6.269 11.758 1.00 54.77 O ATOM 241 H GLY B 29 63.551 -4.151 15.167 1.00 0.00 H ATOM 242 N GLN B 30 64.618 -6.679 13.904 1.00 43.08 N ATOM 243 CA GLN B 30 64.561 -8.126 13.750 1.00 42.87 C ATOM 244 C GLN B 30 63.133 -8.614 13.957 1.00 41.06 C ATOM 245 O GLN B 30 62.411 -8.105 14.817 1.00 41.14 O ATOM 246 CB GLN B 30 65.509 -8.815 14.730 1.00 40.23 C ATOM 247 H GLN B 30 64.873 -6.275 14.828 1.00 0.00 H ATOM 248 N ASN B 31 62.729 -9.600 13.164 1.00 36.60 N ATOM 249 CA ASN B 31 61.382 -10.142 13.250 1.00 38.08 C ATOM 250 C ASN B 31 61.311 -11.302 14.227 1.00 34.71 C ATOM 251 O ASN B 31 62.330 -11.905 14.564 1.00 36.28 O ATOM 252 CB ASN B 31 60.896 -10.597 11.871 1.00 38.28 C ATOM 253 CG ASN B 31 60.877 -9.469 10.862 1.00 47.99 C ATOM 254 OD1 ASN B 31 60.856 -8.295 11.230 1.00 45.96 O ATOM 255 ND2 ASN B 31 60.890 -9.819 9.579 1.00 51.73 N ATOM 256 HD22 ASN B 31 60.908 -10.825 9.314 1.00 0.00 H ATOM 257 HD21 ASN B 31 60.882 -9.087 8.840 1.00 0.00 H ATOM 258 H ASN B 31 63.391 -9.994 12.465 1.00 0.00 H ATOM 259 N LEU B 32 60.104 -11.595 14.692 1.00 27.09 N ATOM 260 CA LEU B 32 59.846 -12.809 15.446 1.00 24.14 C ATOM 261 C LEU B 32 59.074 -13.767 14.554 1.00 26.62 C ATOM 262 O LEU B 32 58.129 -13.364 13.875 1.00 25.57 O ATOM 263 CB LEU B 32 59.060 -12.513 16.724 1.00 28.99 C ATOM 264 CG LEU B 32 59.810 -11.883 17.895 1.00 29.56 C ATOM 265 CD1 LEU B 32 58.832 -11.520 18.998 1.00 31.18 C ATOM 266 CD2 LEU B 32 60.884 -12.836 18.411 1.00 27.35 C ATOM 267 H LEU B 32 59.320 -10.936 14.511 1.00 0.00 H ATOM 268 N VAL B 33 59.487 -15.028 14.535 1.00 24.07 N ATOM 269 CA VAL B 33 58.777 -16.033 13.763 1.00 24.41 C ATOM 270 C VAL B 33 58.164 -17.059 14.699 1.00 26.10 C ATOM 271 O VAL B 33 58.855 -17.635 15.536 1.00 24.76 O ATOM 272 CB VAL B 33 59.696 -16.741 12.756 1.00 26.83 C ATOM 273 CG1 VAL B 33 58.892 -17.720 11.911 1.00 28.76 C ATOM 274 CG2 VAL B 33 60.392 -15.721 11.874 1.00 28.49 C ATOM 275 H VAL B 33 60.330 -15.300 15.080 1.00 0.00 H ATOM 276 N VAL B 34 56.860 -17.271 14.564 1.00 22.28 N ATOM 277 CA VAL B 34 56.155 -18.239 15.388 1.00 22.08 C ATOM 278 C VAL B 34 55.642 -19.380 14.520 1.00 23.17 C ATOM 279 O VAL B 34 54.672 -19.211 13.786 1.00 20.31 O ATOM 280 CB VAL B 34 54.969 -17.591 16.128 1.00 25.67 C ATOM 281 CG1 VAL B 34 54.375 -18.564 17.133 1.00 27.04 C ATOM 282 CG2 VAL B 34 55.407 -16.306 16.809 1.00 26.33 C ATOM 283 H VAL B 34 56.330 -16.731 13.851 1.00 0.00 H ATOM 284 N ASP B 35 56.299 -20.534 14.590 1.00 22.89 N ATOM 285 CA ASP B 35 55.891 -21.687 13.793 1.00 22.75 C ATOM 286 C ASP B 35 54.852 -22.501 14.552 1.00 26.18 C ATOM 287 O ASP B 35 55.186 -23.250 15.469 1.00 26.89 O ATOM 288 CB ASP B 35 57.099 -22.561 13.434 1.00 26.78 C ATOM 289 CG ASP B 35 56.768 -23.630 12.399 1.00 30.03 C ATOM 290 OD1 ASP B 35 55.581 -23.767 12.023 1.00 25.28 O ATOM 291 OD2 ASP B 35 57.698 -24.346 11.966 1.00 29.01 O ATOM 292 H ASP B 35 57.119 -20.617 15.224 1.00 0.00 H ATOM 293 N LEU B 36 53.591 -22.359 14.161 1.00 21.14 N ATOM 294 CA LEU B 36 52.507 -23.004 14.886 1.00 17.79 C ATOM 295 C LEU B 36 52.273 -24.435 14.410 1.00 17.49 C ATOM 296 O LEU B 36 51.554 -25.194 15.055 1.00 19.67 O ATOM 297 CB LEU B 36 51.228 -22.171 14.764 1.00 18.19 C ATOM 298 CG LEU B 36 51.361 -20.822 15.477 1.00 20.67 C ATOM 299 CD1 LEU B 36 50.158 -19.926 15.224 1.00 23.21 C ATOM 300 CD2 LEU B 36 51.562 -21.039 16.970 1.00 21.27 C ATOM 301 H LEU B 36 53.375 -21.779 13.325 1.00 0.00 H ATOM 302 N SER B 37 52.904 -24.812 13.302 1.00 20.28 N ATOM 303 CA SER B 37 52.820 -26.190 12.822 1.00 19.52 C ATOM 304 C SER B 37 53.432 -27.149 13.838 1.00 21.57 C ATOM 305 O SER B 37 53.086 -28.327 13.882 1.00 23.80 O ATOM 306 CB SER B 37 53.521 -26.347 11.472 1.00 22.55 C ATOM 307 OG SER B 37 54.921 -26.481 11.637 1.00 24.01 O ATOM 308 HG SER B 37 55.278 -25.675 12.088 1.00 0.00 H ATOM 309 H SER B 37 53.465 -24.117 12.770 1.00 0.00 H ATOM 310 N GLN B 38 54.344 -26.632 14.654 1.00 22.45 N ATOM 311 CA GLN B 38 55.002 -27.427 15.683 1.00 21.74 C ATOM 312 C GLN B 38 54.093 -27.696 16.879 1.00 24.63 C ATOM 313 O GLN B 38 54.457 -28.450 17.781 1.00 25.53 O ATOM 314 CB GLN B 38 56.279 -26.723 16.155 1.00 26.70 C ATOM 315 CG GLN B 38 57.293 -26.463 15.051 1.00 31.76 C ATOM 316 CD GLN B 38 58.443 -25.588 15.509 1.00 41.74 C ATOM 317 OE1 GLN B 38 58.608 -25.333 16.703 1.00 44.85 O ATOM 318 NE2 GLN B 38 59.245 -25.119 14.559 1.00 41.39 N ATOM 319 HE22 GLN B 38 59.068 -25.360 13.563 1.00 0.00 H ATOM 320 HE21 GLN B 38 60.050 -24.511 14.811 1.00 0.00 H ATOM 321 H GLN B 38 54.596 -25.628 14.555 1.00 0.00 H ATOM 322 N HIS B 39 52.912 -27.084 16.886 1.00 19.74 N ATOM 323 CA HIS B 39 52.043 -27.144 18.057 1.00 18.25 C ATOM 324 C HIS B 39 50.626 -27.639 17.765 1.00 19.76 C ATOM 325 O HIS B 39 50.080 -28.430 18.528 1.00 26.72 O ATOM 326 CB HIS B 39 51.975 -25.766 18.720 1.00 20.26 C ATOM 327 CG HIS B 39 53.291 -25.285 19.243 1.00 21.50 C ATOM 328 ND1 HIS B 39 53.909 -25.855 20.337 1.00 24.04 N ATOM 329 CD2 HIS B 39 54.112 -24.294 18.824 1.00 20.69 C ATOM 330 CE1 HIS B 39 55.051 -25.232 20.569 1.00 26.77 C ATOM 331 NE2 HIS B 39 55.198 -24.282 19.663 1.00 20.86 N ATOM 332 H HIS B 39 52.604 -26.555 16.045 1.00 0.00 H ATOM 333 N ILE B 40 50.028 -27.176 16.672 1.00 17.86 N ATOM 334 CA ILE B 40 48.631 -27.510 16.391 1.00 16.70 C ATOM 335 C ILE B 40 48.487 -28.505 15.245 1.00 16.30 C ATOM 336 O ILE B 40 49.054 -28.311 14.170 1.00 16.70 O ATOM 337 CB ILE B 40 47.809 -26.259 16.042 1.00 16.27 C ATOM 338 CG1 ILE B 40 48.204 -25.086 16.936 1.00 17.33 C ATOM 339 CG2 ILE B 40 46.322 -26.551 16.181 1.00 16.33 C ATOM 340 CD1 ILE B 40 47.498 -23.798 16.568 1.00 16.30 C ATOM 341 H ILE B 40 50.557 -26.572 16.011 1.00 0.00 H ATOM 342 N SER B 41 47.714 -29.562 15.484 1.00 16.42 N ATOM 343 CA SER B 41 47.434 -30.572 14.469 1.00 16.25 C ATOM 344 C SER B 41 45.949 -30.886 14.423 1.00 18.46 C ATOM 345 O SER B 41 45.281 -30.877 15.453 1.00 20.43 O ATOM 346 CB SER B 41 48.219 -31.860 14.742 1.00 20.48 C ATOM 347 OG SER B 41 49.603 -31.666 14.558 1.00 19.78 O ATOM 348 HG SER B 41 50.081 -32.513 14.741 1.00 0.00 H ATOM 349 H SER B 41 47.294 -29.672 16.429 1.00 0.00 H ATOM 350 N CYS B 42 45.440 -31.170 13.228 1.00 20.62 N ATOM 351 CA CYS B 42 44.037 -31.526 13.058 1.00 20.60 C ATOM 352 C CYS B 42 43.891 -32.725 12.131 1.00 20.78 C ATOM 353 O CYS B 42 44.793 -33.027 11.350 1.00 22.00 O ATOM 354 CB CYS B 42 43.240 -30.343 12.505 1.00 19.18 C ATOM 355 SG CYS B 42 43.309 -28.846 13.515 1.00 21.76 S ATOM 356 H CYS B 42 46.059 -31.137 12.393 1.00 0.00 H ATOM 357 N TRP B 43 42.748 -33.398 12.203 1.00 21.28 N ATOM 358 CA TRP B 43 42.532 -34.575 11.372 1.00 21.49 C ATOM 359 C TRP B 43 41.058 -34.847 11.106 1.00 27.56 C ATOM 360 O TRP B 43 40.182 -34.380 11.834 1.00 24.08 O ATOM 361 CB TRP B 43 43.166 -35.804 12.028 1.00 25.29 C ATOM 362 CG TRP B 43 42.631 -36.085 13.394 1.00 25.11 C ATOM 363 CD1 TRP B 43 41.555 -36.864 13.711 1.00 26.22 C ATOM 364 CD2 TRP B 43 43.138 -35.579 14.634 1.00 23.40 C ATOM 365 NE1 TRP B 43 41.364 -36.876 15.070 1.00 27.17 N ATOM 366 CE2 TRP B 43 42.323 -36.095 15.659 1.00 25.72 C ATOM 367 CE3 TRP B 43 44.206 -34.742 14.975 1.00 21.42 C ATOM 368 CZ2 TRP B 43 42.541 -35.803 17.002 1.00 25.09 C ATOM 369 CZ3 TRP B 43 44.420 -34.452 16.310 1.00 22.79 C ATOM 370 CH2 TRP B 43 43.593 -34.981 17.307 1.00 20.60 C ATOM 371 HE1 TRP B 43 40.614 -37.394 15.571 1.00 0.00 H ATOM 372 H TRP B 43 42.003 -33.083 12.856 1.00 0.00 H ATOM 373 N ASN B 44 40.804 -35.606 10.045 1.00 24.94 N ATOM 374 CA ASN B 44 39.470 -36.089 9.727 1.00 28.77 C ATOM 375 C ASN B 44 39.218 -37.374 10.502 1.00 32.62 C ATOM 376 O ASN B 44 39.995 -38.321 10.413 1.00 31.76 O ATOM 377 CB ASN B 44 39.329 -36.317 8.221 1.00 28.75 C ATOM 378 CG ASN B 44 37.939 -36.777 7.818 1.00 33.27 C ATOM 379 OD1 ASN B 44 37.540 -37.905 8.104 1.00 34.63 O ATOM 380 ND2 ASN B 44 37.203 -35.910 7.132 1.00 32.20 N ATOM 381 HD22 ASN B 44 37.581 -34.966 6.912 1.00 0.00 H ATOM 382 HD21 ASN B 44 36.249 -36.175 6.814 1.00 0.00 H ATOM 383 H ASN B 44 41.591 -35.865 9.417 1.00 0.00 H ATOM 384 N ASP B 45 38.134 -37.406 11.265 1.00 32.47 N ATOM 385 CA ASP B 45 37.871 -38.520 12.167 1.00 33.22 C ATOM 386 C ASP B 45 37.344 -39.772 11.460 1.00 37.92 C ATOM 387 O ASP B 45 36.978 -40.750 12.110 1.00 39.42 O ATOM 388 CB ASP B 45 36.885 -38.083 13.247 1.00 35.91 C ATOM 389 CG ASP B 45 37.509 -37.147 14.266 1.00 37.13 C ATOM 390 OD1 ASP B 45 38.572 -37.494 14.822 1.00 38.03 O ATOM 391 OD2 ASP B 45 36.939 -36.062 14.511 1.00 35.51 O ATOM 392 H ASP B 45 37.456 -36.618 11.219 1.00 0.00 H ATOM 393 N TYR B 46 37.312 -39.739 10.131 1.00 39.43 N ATOM 394 CA TYR B 46 36.856 -40.878 9.338 1.00 39.74 C ATOM 395 C TYR B 46 37.969 -41.422 8.450 1.00 42.49 C ATOM 396 O TYR B 46 38.178 -42.633 8.366 1.00 42.56 O ATOM 397 CB TYR B 46 35.657 -40.486 8.472 1.00 39.80 C ATOM 398 CG TYR B 46 34.350 -40.372 9.219 1.00 42.76 C ATOM 399 CD1 TYR B 46 33.960 -41.344 10.130 1.00 48.17 C ATOM 400 CD2 TYR B 46 33.505 -39.290 9.013 1.00 43.93 C ATOM 401 CE1 TYR B 46 32.763 -41.243 10.812 1.00 47.68 C ATOM 402 CE2 TYR B 46 32.309 -39.179 9.689 1.00 45.38 C ATOM 403 CZ TYR B 46 31.942 -40.158 10.588 1.00 51.52 C ATOM 404 OH TYR B 46 30.750 -40.050 11.265 1.00 56.52 O ATOM 405 HH TYR B 46 30.750 -39.217 11.800 1.00 0.00 H ATOM 406 H TYR B 46 37.621 -38.875 9.641 1.00 0.00 H ATOM 407 N GLY B 47 38.678 -40.518 7.781 1.00 37.22 N ATOM 408 CA GLY B 47 39.722 -40.906 6.851 1.00 39.07 C ATOM 409 C GLY B 47 39.162 -41.312 5.503 1.00 42.84 C ATOM 410 O GLY B 47 37.946 -41.334 5.306 1.00 41.13 O ATOM 411 H GLY B 47 38.479 -39.508 7.928 1.00 0.00 H ATOM 412 N GLY B 48 40.055 -41.627 4.570 1.00 42.89 N ATOM 413 CA GLY B 48 39.660 -42.063 3.243 1.00 45.09 C ATOM 414 C GLY B 48 38.912 -41.005 2.455 1.00 46.56 C ATOM 415 O GLY B 48 38.263 -41.316 1.455 1.00 46.70 O ATOM 416 H GLY B 48 41.067 -41.559 4.798 1.00 0.00 H ATOM 417 N TRP B 49 39.003 -39.758 2.915 1.00 46.76 N ATOM 418 CA TRP B 49 38.342 -38.621 2.276 1.00 45.52 C ATOM 419 C TRP B 49 36.836 -38.836 2.156 1.00 42.81 C ATOM 420 O TRP B 49 36.211 -38.436 1.175 1.00 45.66 O ATOM 421 CB TRP B 49 38.966 -38.354 0.904 1.00 47.54 C ATOM 422 CG TRP B 49 40.423 -38.049 1.011 1.00 46.26 C ATOM 423 CD1 TRP B 49 41.457 -38.933 0.904 1.00 49.85 C ATOM 424 CD2 TRP B 49 41.012 -36.772 1.278 1.00 46.54 C ATOM 425 NE1 TRP B 49 42.655 -38.282 1.077 1.00 49.83 N ATOM 426 CE2 TRP B 49 42.409 -36.954 1.307 1.00 46.31 C ATOM 427 CE3 TRP B 49 40.494 -35.489 1.485 1.00 43.77 C ATOM 428 CZ2 TRP B 49 43.294 -35.903 1.539 1.00 49.06 C ATOM 429 CZ3 TRP B 49 41.374 -34.447 1.717 1.00 42.70 C ATOM 430 CH2 TRP B 49 42.759 -34.660 1.742 1.00 44.09 C ATOM 431 HE1 TRP B 49 43.595 -38.725 1.039 1.00 0.00 H ATOM 432 H TRP B 49 39.571 -39.585 3.769 1.00 0.00 H ATOM 433 N TYR B 50 36.265 -39.466 3.179 1.00 40.53 N ATOM 434 CA TYR B 50 34.840 -39.773 3.225 1.00 40.47 C ATOM 435 C TYR B 50 33.987 -38.511 3.372 1.00 46.23 C ATOM 436 O TYR B 50 33.279 -38.115 2.444 1.00 47.18 O ATOM 437 CB TYR B 50 34.566 -40.749 4.373 1.00 41.32 C ATOM 438 CG TYR B 50 33.111 -40.909 4.743 1.00 41.47 C ATOM 439 CD1 TYR B 50 32.213 -41.516 3.876 1.00 46.62 C ATOM 440 CD2 TYR B 50 32.639 -40.469 5.972 1.00 41.96 C ATOM 441 CE1 TYR B 50 30.881 -41.666 4.219 1.00 47.05 C ATOM 442 CE2 TYR B 50 31.312 -40.616 6.325 1.00 44.10 C ATOM 443 CZ TYR B 50 30.437 -41.215 5.445 1.00 46.03 C ATOM 444 OH TYR B 50 29.114 -41.362 5.794 1.00 55.58 O ATOM 445 HH TYR B 50 28.627 -41.807 5.056 1.00 0.00 H ATOM 446 H TYR B 50 36.861 -39.752 3.982 1.00 0.00 H ATOM 447 N ASP B 51 34.056 -37.888 4.543 1.00 39.28 N ATOM 448 CA ASP B 51 33.352 -36.637 4.794 1.00 36.07 C ATOM 449 C ASP B 51 34.388 -35.533 4.982 1.00 33.23 C ATOM 450 O ASP B 51 34.682 -35.128 6.105 1.00 31.72 O ATOM 451 CB ASP B 51 32.445 -36.766 6.021 1.00 31.51 C ATOM 452 CG ASP B 51 31.592 -35.534 6.257 1.00 35.32 C ATOM 453 OD1 ASP B 51 31.506 -34.675 5.354 1.00 32.18 O ATOM 454 OD2 ASP B 51 30.995 -35.432 7.350 1.00 31.14 O ATOM 455 H ASP B 51 34.630 -38.305 5.303 1.00 0.00 H ATOM 456 N THR B 52 34.942 -35.067 3.865 1.00 32.23 N ATOM 457 CA THR B 52 36.077 -34.145 3.865 1.00 32.10 C ATOM 458 C THR B 52 35.802 -32.864 4.647 1.00 32.71 C ATOM 459 O THR B 52 34.735 -32.268 4.525 1.00 25.98 O ATOM 460 CB THR B 52 36.481 -33.775 2.423 1.00 32.48 C ATOM 461 OG1 THR B 52 36.855 -34.962 1.712 1.00 41.92 O ATOM 462 CG2 THR B 52 37.650 -32.802 2.417 1.00 34.66 C ATOM 463 HG1 THR B 52 36.088 -35.588 1.690 1.00 0.00 H ATOM 464 H THR B 52 34.550 -35.372 2.951 1.00 0.00 H ATOM 465 N ASP B 53 36.772 -32.452 5.456 1.00 25.83 N ATOM 466 CA ASP B 53 36.659 -31.222 6.226 1.00 24.44 C ATOM 467 C ASP B 53 37.318 -30.061 5.496 1.00 25.16 C ATOM 468 O ASP B 53 38.374 -30.223 4.890 1.00 23.72 O ATOM 469 CB ASP B 53 37.286 -31.406 7.609 1.00 23.87 C ATOM 470 CG ASP B 53 36.577 -32.462 8.426 1.00 28.62 C ATOM 471 OD1 ASP B 53 35.356 -32.327 8.629 1.00 26.88 O ATOM 472 OD2 ASP B 53 37.235 -33.437 8.847 1.00 24.48 O ATOM 473 H ASP B 53 37.636 -33.024 5.541 1.00 0.00 H ATOM 474 N HIS B 54 36.683 -28.893 5.547 1.00 19.90 N ATOM 475 CA HIS B 54 37.247 -27.691 4.945 1.00 22.00 C ATOM 476 C HIS B 54 37.639 -26.705 6.037 1.00 20.86 C ATOM 477 O HIS B 54 36.808 -26.324 6.861 1.00 20.65 O ATOM 478 CB HIS B 54 36.251 -27.053 3.975 1.00 24.58 C ATOM 479 CG HIS B 54 35.712 -28.005 2.954 1.00 28.75 C ATOM 480 ND1 HIS B 54 36.453 -28.439 1.875 1.00 36.59 N ATOM 481 CD2 HIS B 54 34.504 -28.609 2.848 1.00 30.38 C ATOM 482 CE1 HIS B 54 35.726 -29.267 1.149 1.00 34.49 C ATOM 483 NE2 HIS B 54 34.539 -29.388 1.716 1.00 33.95 N ATOM 484 H HIS B 54 35.763 -28.836 6.028 1.00 0.00 H ATOM 485 N ILE B 55 38.906 -26.301 6.044 1.00 20.53 N ATOM 486 CA ILE B 55 39.449 -25.485 7.127 1.00 18.31 C ATOM 487 C ILE B 55 40.039 -24.177 6.626 1.00 16.72 C ATOM 488 O ILE B 55 40.822 -24.177 5.678 1.00 21.18 O ATOM 489 CB ILE B 55 40.559 -26.236 7.890 1.00 22.21 C ATOM 490 CG1 ILE B 55 40.093 -27.637 8.282 1.00 25.35 C ATOM 491 CG2 ILE B 55 40.998 -25.442 9.101 1.00 25.63 C ATOM 492 CD1 ILE B 55 38.871 -27.640 9.140 1.00 24.04 C ATOM 493 H ILE B 55 39.528 -26.574 5.256 1.00 0.00 H ATOM 494 N ASN B 56 39.678 -23.066 7.265 1.00 18.78 N ATOM 495 CA ASN B 56 40.323 -21.786 6.977 1.00 17.18 C ATOM 496 C ASN B 56 40.432 -20.914 8.226 1.00 16.85 C ATOM 497 O ASN B 56 39.756 -21.156 9.226 1.00 14.93 O ATOM 498 CB ASN B 56 39.570 -21.032 5.872 1.00 19.73 C ATOM 499 CG ASN B 56 38.169 -20.615 6.291 1.00 19.35 C ATOM 500 OD1 ASN B 56 37.205 -21.356 6.096 1.00 19.79 O ATOM 501 ND2 ASN B 56 38.049 -19.420 6.859 1.00 17.51 N ATOM 502 HD22 ASN B 56 38.891 -18.827 7.005 1.00 0.00 H ATOM 503 HD21 ASN B 56 37.113 -19.078 7.158 1.00 0.00 H ATOM 504 H ASN B 56 38.925 -23.110 7.981 1.00 0.00 H ATOM 505 N LEU B 57 41.301 -19.909 8.170 1.00 15.47 N ATOM 506 CA LEU B 57 41.398 -18.936 9.248 1.00 15.95 C ATOM 507 C LEU B 57 40.503 -17.754 8.914 1.00 15.85 C ATOM 508 O LEU B 57 40.238 -17.482 7.742 1.00 16.47 O ATOM 509 CB LEU B 57 42.842 -18.495 9.462 1.00 13.91 C ATOM 510 CG LEU B 57 43.787 -19.671 9.714 1.00 14.90 C ATOM 511 CD1 LEU B 57 45.208 -19.185 9.934 1.00 16.32 C ATOM 512 CD2 LEU B 57 43.305 -20.489 10.906 1.00 17.31 C ATOM 513 H LEU B 57 41.922 -19.817 7.341 1.00 0.00 H ATOM 514 N VAL B 58 40.046 -17.052 9.942 1.00 15.49 N ATOM 515 CA VAL B 58 38.920 -16.138 9.785 1.00 14.31 C ATOM 516 C VAL B 58 39.296 -14.663 9.918 1.00 15.65 C ATOM 517 O VAL B 58 40.094 -14.277 10.775 1.00 16.23 O ATOM 518 CB VAL B 58 37.814 -16.478 10.812 1.00 14.81 C ATOM 519 CG1 VAL B 58 36.633 -15.541 10.675 1.00 15.43 C ATOM 520 CG2 VAL B 58 37.359 -17.922 10.634 1.00 14.48 C ATOM 521 H VAL B 58 40.497 -17.155 10.874 1.00 0.00 H ATOM 522 N GLN B 59 38.715 -13.860 9.031 1.00 14.73 N ATOM 523 CA GLN B 59 38.759 -12.406 9.092 1.00 15.50 C ATOM 524 C GLN B 59 38.615 -11.892 10.526 1.00 13.91 C ATOM 525 O GLN B 59 37.750 -12.349 11.276 1.00 15.48 O ATOM 526 CB GLN B 59 37.650 -11.841 8.203 1.00 15.67 C ATOM 527 CG GLN B 59 37.529 -10.335 8.168 1.00 14.66 C ATOM 528 CD GLN B 59 36.263 -9.900 7.457 1.00 17.83 C ATOM 529 OE1 GLN B 59 35.155 -10.165 7.926 1.00 19.33 O ATOM 530 NE2 GLN B 59 36.418 -9.251 6.309 1.00 17.97 N ATOM 531 HE22 GLN B 59 37.373 -9.049 5.951 1.00 0.00 H ATOM 532 HE21 GLN B 59 35.584 -8.945 5.768 1.00 0.00 H ATOM 533 H GLN B 59 38.196 -14.299 8.244 1.00 0.00 H ATOM 534 N GLY B 60 39.476 -10.956 10.910 1.00 16.44 N ATOM 535 CA GLY B 60 39.423 -10.392 12.245 1.00 14.90 C ATOM 536 C GLY B 60 40.507 -10.908 13.176 1.00 17.09 C ATOM 537 O GLY B 60 40.816 -10.264 14.180 1.00 15.99 O ATOM 538 H GLY B 60 40.200 -10.622 10.242 1.00 0.00 H ATOM 539 N SER B 61 41.066 -12.074 12.859 1.00 16.70 N ATOM 540 CA SER B 61 42.188 -12.625 13.620 1.00 16.08 C ATOM 541 C SER B 61 43.283 -11.568 13.745 1.00 16.12 C ATOM 542 O SER B 61 43.670 -10.961 12.750 1.00 15.66 O ATOM 543 CB SER B 61 42.733 -13.886 12.948 1.00 15.89 C ATOM 544 OG SER B 61 41.754 -14.916 12.919 1.00 16.50 O ATOM 545 HG SER B 61 40.963 -14.604 12.412 1.00 0.00 H ATOM 546 H SER B 61 40.695 -12.608 12.048 1.00 0.00 H ATOM 547 N ALA B 62 43.775 -11.345 14.962 1.00 16.51 N ATOM 548 CA ALA B 62 44.651 -10.201 15.217 1.00 16.90 C ATOM 549 C ALA B 62 45.637 -10.420 16.362 1.00 18.64 C ATOM 550 O ALA B 62 45.554 -11.411 17.088 1.00 16.30 O ATOM 551 CB ALA B 62 43.804 -8.965 15.503 1.00 17.70 C ATOM 552 H ALA B 62 43.534 -11.991 15.740 1.00 0.00 H ATOM 553 N PHE B 63 46.573 -9.485 16.511 1.00 15.90 N ATOM 554 CA PHE B 63 47.433 -9.443 17.690 1.00 20.10 C ATOM 555 C PHE B 63 46.593 -9.056 18.904 1.00 23.34 C ATOM 556 O PHE B 63 45.497 -8.509 18.761 1.00 20.31 O ATOM 557 CB PHE B 63 48.588 -8.447 17.514 1.00 20.35 C ATOM 558 CG PHE B 63 49.632 -8.882 16.521 1.00 23.78 C ATOM 559 CD1 PHE B 63 50.321 -10.073 16.689 1.00 18.89 C ATOM 560 CD2 PHE B 63 49.947 -8.081 15.434 1.00 20.17 C ATOM 561 CE1 PHE B 63 51.286 -10.469 15.779 1.00 21.07 C ATOM 562 CE2 PHE B 63 50.915 -8.469 14.522 1.00 23.75 C ATOM 563 CZ PHE B 63 51.586 -9.663 14.695 1.00 21.79 C ATOM 564 H PHE B 63 46.695 -8.767 15.769 1.00 0.00 H ATOM 565 N ALA B 64 47.112 -9.322 20.098 1.00 21.20 N ATOM 566 CA ALA B 64 46.372 -9.026 21.318 1.00 23.03 C ATOM 567 C ALA B 64 46.939 -7.827 22.065 1.00 32.27 C ATOM 568 O ALA B 64 48.154 -7.679 22.187 1.00 33.73 O ATOM 569 CB ALA B 64 46.355 -10.238 22.227 1.00 29.31 C ATOM 570 H ALA B 64 48.059 -9.747 20.163 1.00 0.00 H ATOM 571 N GLY B 65 46.036 -6.982 22.557 1.00 37.12 N ATOM 572 CA GLY B 65 46.374 -5.866 23.426 1.00 35.63 C ATOM 573 C GLY B 65 47.547 -5.001 23.011 1.00 37.58 C ATOM 574 O GLY B 65 47.449 -4.200 22.084 1.00 42.75 O ATOM 575 H GLY B 65 45.037 -7.127 22.307 1.00 0.00 H ATOM 576 N SER B 66 48.662 -5.177 23.712 1.00 39.58 N ATOM 577 CA SER B 66 49.836 -4.326 23.553 1.00 40.44 C ATOM 578 C SER B 66 50.525 -4.491 22.201 1.00 40.36 C ATOM 579 O SER B 66 51.246 -3.595 21.754 1.00 42.69 O ATOM 580 CB SER B 66 50.844 -4.617 24.673 1.00 47.92 C ATOM 581 OG SER B 66 50.189 -4.920 25.896 1.00 49.80 O ATOM 582 HG SER B 66 50.866 -5.102 26.595 1.00 0.00 H ATOM 583 H SER B 66 48.699 -5.954 24.403 1.00 0.00 H ATOM 584 N LEU B 67 50.310 -5.634 21.554 1.00 35.15 N ATOM 585 CA LEU B 67 51.047 -5.960 20.335 1.00 33.20 C ATOM 586 C LEU B 67 50.370 -5.472 19.059 1.00 29.44 C ATOM 587 O LEU B 67 50.850 -5.741 17.959 1.00 30.10 O ATOM 588 CB LEU B 67 51.267 -7.471 20.227 1.00 29.77 C ATOM 589 CG LEU B 67 52.217 -8.167 21.205 1.00 37.22 C ATOM 590 CD1 LEU B 67 51.516 -8.541 22.509 1.00 30.42 C ATOM 591 CD2 LEU B 67 52.841 -9.391 20.548 1.00 30.54 C ATOM 592 H LEU B 67 49.606 -6.306 21.922 1.00 0.00 H ATOM 593 N GLN B 68 49.262 -4.757 19.193 1.00 31.96 N ATOM 594 CA GLN B 68 48.500 -4.370 18.011 1.00 28.29 C ATOM 595 C GLN B 68 49.152 -3.209 17.259 1.00 30.11 C ATOM 596 O GLN B 68 48.712 -2.843 16.169 1.00 28.08 O ATOM 597 CB GLN B 68 47.062 -4.035 18.400 1.00 33.99 C ATOM 598 CG GLN B 68 46.251 -5.278 18.748 1.00 30.61 C ATOM 599 CD GLN B 68 44.856 -4.961 19.234 1.00 35.32 C ATOM 600 OE1 GLN B 68 44.572 -5.045 20.429 1.00 38.34 O ATOM 601 NE2 GLN B 68 43.973 -4.599 18.311 1.00 33.96 N ATOM 602 HE22 GLN B 68 44.258 -4.542 17.313 1.00 0.00 H ATOM 603 HE21 GLN B 68 42.996 -4.373 18.586 1.00 0.00 H ATOM 604 H GLN B 68 48.937 -4.473 20.139 1.00 0.00 H ATOM 605 N SER B 69 50.213 -2.648 17.829 1.00 26.94 N ATOM 606 CA SER B 69 50.997 -1.642 17.123 1.00 30.73 C ATOM 607 C SER B 69 52.097 -2.314 16.309 1.00 36.51 C ATOM 608 O SER B 69 52.773 -1.671 15.505 1.00 33.53 O ATOM 609 CB SER B 69 51.597 -0.631 18.101 1.00 34.53 C ATOM 610 OG SER B 69 52.221 -1.288 19.189 1.00 39.62 O ATOM 611 HG SER B 69 52.601 -0.614 19.806 1.00 0.00 H ATOM 612 H SER B 69 50.488 -2.930 18.791 1.00 0.00 H ATOM 613 N TYR B 70 52.270 -3.616 16.522 1.00 29.47 N ATOM 614 CA TYR B 70 53.260 -4.386 15.779 1.00 32.02 C ATOM 615 C TYR B 70 52.770 -4.664 14.363 1.00 32.90 C ATOM 616 O TYR B 70 51.570 -4.800 14.127 1.00 26.96 O ATOM 617 CB TYR B 70 53.571 -5.715 16.480 1.00 33.74 C ATOM 618 CG TYR B 70 54.246 -5.601 17.832 1.00 36.20 C ATOM 619 CD1 TYR B 70 54.605 -4.368 18.358 1.00 37.71 C ATOM 620 CD2 TYR B 70 54.536 -6.736 18.578 1.00 32.10 C ATOM 621 CE1 TYR B 70 55.228 -4.266 19.590 1.00 37.30 C ATOM 622 CE2 TYR B 70 55.157 -6.645 19.811 1.00 34.65 C ATOM 623 CZ TYR B 70 55.501 -5.408 20.312 1.00 37.29 C ATOM 624 OH TYR B 70 56.119 -5.312 21.538 1.00 36.61 O ATOM 625 HH TYR B 70 55.531 -5.699 22.234 1.00 0.00 H ATOM 626 H TYR B 70 51.685 -4.096 17.236 1.00 0.00 H ATOM 627 N LYS B 71 53.704 -4.748 13.422 1.00 31.27 N ATOM 628 CA LYS B 71 53.377 -5.186 12.074 1.00 33.79 C ATOM 629 C LYS B 71 53.460 -6.704 12.026 1.00 27.94 C ATOM 630 O LYS B 71 54.192 -7.317 12.803 1.00 27.97 O ATOM 631 CB LYS B 71 54.318 -4.558 11.045 1.00 31.42 C ATOM 632 CG LYS B 71 54.242 -3.042 10.972 1.00 37.59 C ATOM 633 CD LYS B 71 53.017 -2.573 10.199 1.00 38.47 C ATOM 634 CE LYS B 71 53.159 -2.849 8.709 1.00 42.77 C ATOM 635 NZ LYS B 71 52.041 -2.252 7.926 1.00 47.39 N ATOM 636 HZ1 LYS B 71 51.139 -2.656 8.249 1.00 0.00 H ATOM 637 HZ2 LYS B 71 52.031 -1.222 8.068 1.00 0.00 H ATOM 638 HZ3 LYS B 71 52.175 -2.463 6.916 1.00 0.00 H ATOM 639 H LYS B 71 54.686 -4.496 13.653 1.00 0.00 H ATOM 640 N GLY B 72 52.706 -7.319 11.125 1.00 27.47 N ATOM 641 CA GLY B 72 52.702 -8.765 11.057 1.00 22.22 C ATOM 642 C GLY B 72 52.259 -9.336 9.730 1.00 20.73 C ATOM 643 O GLY B 72 51.644 -8.653 8.911 1.00 20.51 O ATOM 644 H GLY B 72 52.119 -6.764 10.469 1.00 0.00 H ATOM 645 N SER B 73 52.591 -10.604 9.524 1.00 20.12 N ATOM 646 CA SER B 73 52.098 -11.358 8.385 1.00 21.39 C ATOM 647 C SER B 73 51.802 -12.779 8.844 1.00 21.38 C ATOM 648 O SER B 73 52.403 -13.263 9.804 1.00 21.90 O ATOM 649 CB SER B 73 53.108 -11.351 7.233 1.00 24.80 C ATOM 650 OG SER B 73 54.303 -12.018 7.598 1.00 31.11 O ATOM 651 HG SER B 73 54.936 -11.998 6.837 1.00 0.00 H ATOM 652 H SER B 73 53.226 -11.074 10.201 1.00 0.00 H ATOM 653 N LEU B 74 50.868 -13.440 8.171 1.00 17.61 N ATOM 654 CA LEU B 74 50.479 -14.791 8.547 1.00 18.29 C ATOM 655 C LEU B 74 50.583 -15.731 7.354 1.00 21.23 C ATOM 656 O LEU B 74 50.023 -15.470 6.289 1.00 19.94 O ATOM 657 CB LEU B 74 49.054 -14.804 9.117 1.00 20.32 C ATOM 658 CG LEU B 74 48.498 -16.128 9.660 1.00 18.27 C ATOM 659 CD1 LEU B 74 47.561 -15.863 10.828 1.00 19.45 C ATOM 660 CD2 LEU B 74 47.772 -16.917 8.570 1.00 19.72 C ATOM 661 H LEU B 74 50.405 -12.983 7.359 1.00 0.00 H ATOM 662 N TYR B 75 51.305 -16.828 7.540 1.00 19.03 N ATOM 663 CA TYR B 75 51.401 -17.851 6.516 1.00 19.66 C ATOM 664 C TYR B 75 50.366 -18.933 6.778 1.00 17.68 C ATOM 665 O TYR B 75 50.300 -19.477 7.877 1.00 19.35 O ATOM 666 CB TYR B 75 52.809 -18.458 6.480 1.00 20.20 C ATOM 667 CG TYR B 75 52.957 -19.584 5.481 1.00 20.86 C ATOM 668 CD1 TYR B 75 53.208 -19.320 4.141 1.00 22.34 C ATOM 669 CD2 TYR B 75 52.848 -20.911 5.878 1.00 23.46 C ATOM 670 CE1 TYR B 75 53.342 -20.347 3.221 1.00 25.22 C ATOM 671 CE2 TYR B 75 52.982 -21.944 4.966 1.00 24.21 C ATOM 672 CZ TYR B 75 53.230 -21.656 3.641 1.00 24.29 C ATOM 673 OH TYR B 75 53.362 -22.682 2.735 1.00 27.65 O ATOM 674 HH TYR B 75 52.527 -23.213 2.716 1.00 0.00 H ATOM 675 H TYR B 75 51.813 -16.957 8.438 1.00 0.00 H ATOM 676 N TRP B 76 49.554 -19.235 5.771 1.00 16.66 N ATOM 677 CA TRP B 76 48.580 -20.316 5.868 1.00 16.96 C ATOM 678 C TRP B 76 48.463 -21.046 4.545 1.00 18.84 C ATOM 679 O TRP B 76 48.061 -20.455 3.545 1.00 19.45 O ATOM 680 CB TRP B 76 47.206 -19.784 6.286 1.00 17.45 C ATOM 681 CG TRP B 76 46.101 -20.812 6.200 1.00 15.14 C ATOM 682 CD1 TRP B 76 45.184 -20.951 5.194 1.00 16.83 C ATOM 683 CD2 TRP B 76 45.795 -21.831 7.161 1.00 14.13 C ATOM 684 NE1 TRP B 76 44.333 -21.996 5.469 1.00 18.26 N ATOM 685 CE2 TRP B 76 44.687 -22.551 6.670 1.00 17.93 C ATOM 686 CE3 TRP B 76 46.354 -22.204 8.387 1.00 15.27 C ATOM 687 CZ2 TRP B 76 44.126 -23.620 7.365 1.00 16.75 C ATOM 688 CZ3 TRP B 76 45.799 -23.265 9.072 1.00 17.68 C ATOM 689 CH2 TRP B 76 44.695 -23.961 8.561 1.00 18.08 C ATOM 690 HE1 TRP B 76 43.549 -22.313 4.864 1.00 0.00 H ATOM 691 H TRP B 76 49.615 -18.686 4.890 1.00 0.00 H ATOM 692 N ASN B 77 48.825 -22.327 4.547 1.00 18.74 N ATOM 693 CA ASN B 77 48.623 -23.205 3.394 1.00 21.67 C ATOM 694 C ASN B 77 49.062 -22.589 2.059 1.00 21.87 C ATOM 695 O ASN B 77 48.246 -22.414 1.149 1.00 22.26 O ATOM 696 CB ASN B 77 47.149 -23.618 3.320 1.00 20.66 C ATOM 697 CG ASN B 77 46.913 -24.799 2.396 1.00 23.51 C ATOM 698 OD1 ASN B 77 47.747 -25.701 2.290 1.00 20.94 O ATOM 699 ND2 ASN B 77 45.772 -24.798 1.721 1.00 22.23 N ATOM 700 HD22 ASN B 77 45.097 -24.016 1.842 1.00 0.00 H ATOM 701 HD21 ASN B 77 45.552 -25.579 1.071 1.00 0.00 H ATOM 702 H ASN B 77 49.269 -22.719 5.402 1.00 0.00 H ATOM 703 N ASN B 78 50.347 -22.244 1.976 1.00 21.85 N ATOM 704 CA ASN B 78 50.993 -21.752 0.751 1.00 21.80 C ATOM 705 C ASN B 78 50.616 -20.330 0.337 1.00 22.84 C ATOM 706 O ASN B 78 50.951 -19.902 -0.768 1.00 23.68 O ATOM 707 CB ASN B 78 50.711 -22.694 -0.425 1.00 24.48 C ATOM 708 CG ASN B 78 51.181 -24.109 -0.164 1.00 28.79 C ATOM 709 OD1 ASN B 78 52.263 -24.326 0.379 1.00 30.72 O ATOM 710 ND2 ASN B 78 50.364 -25.082 -0.549 1.00 32.68 N ATOM 711 HD22 ASN B 78 49.458 -24.851 -1.005 1.00 0.00 H ATOM 712 HD21 ASN B 78 50.630 -26.076 -0.395 1.00 0.00 H ATOM 713 H ASN B 78 50.930 -22.328 2.833 1.00 0.00 H ATOM 714 N VAL B 79 49.921 -19.600 1.205 1.00 19.28 N ATOM 715 CA VAL B 79 49.646 -18.185 0.953 1.00 17.63 C ATOM 716 C VAL B 79 49.972 -17.334 2.183 1.00 20.61 C ATOM 717 O VAL B 79 49.651 -17.710 3.310 1.00 22.10 O ATOM 718 CB VAL B 79 48.172 -17.938 0.550 1.00 20.93 C ATOM 719 CG1 VAL B 79 47.940 -16.459 0.261 1.00 20.74 C ATOM 720 CG2 VAL B 79 47.787 -18.781 -0.660 1.00 18.56 C ATOM 721 H VAL B 79 49.567 -20.042 2.077 1.00 0.00 H ATOM 722 N THR B 80 50.607 -16.186 1.959 1.00 19.92 N ATOM 723 CA THR B 80 50.938 -15.264 3.040 1.00 20.60 C ATOM 724 C THR B 80 49.968 -14.090 3.076 1.00 19.94 C ATOM 725 O THR B 80 49.659 -13.495 2.041 1.00 20.78 O ATOM 726 CB THR B 80 52.375 -14.729 2.904 1.00 22.25 C ATOM 727 OG1 THR B 80 53.285 -15.829 2.785 1.00 24.59 O ATOM 728 CG2 THR B 80 52.752 -13.894 4.117 1.00 23.64 C ATOM 729 HG1 THR B 80 53.054 -16.362 1.984 1.00 0.00 H ATOM 730 H THR B 80 50.875 -15.939 0.985 1.00 0.00 H ATOM 731 N TYR B 81 49.490 -13.762 4.274 1.00 19.57 N ATOM 732 CA TYR B 81 48.507 -12.698 4.459 1.00 17.74 C ATOM 733 C TYR B 81 49.025 -11.623 5.396 1.00 19.73 C ATOM 734 O TYR B 81 49.716 -11.928 6.364 1.00 20.11 O ATOM 735 CB TYR B 81 47.203 -13.261 5.030 1.00 17.10 C ATOM 736 CG TYR B 81 46.566 -14.336 4.187 1.00 18.77 C ATOM 737 CD1 TYR B 81 45.550 -14.029 3.292 1.00 19.26 C ATOM 738 CD2 TYR B 81 46.975 -15.659 4.289 1.00 17.53 C ATOM 739 CE1 TYR B 81 44.963 -15.007 2.520 1.00 17.26 C ATOM 740 CE2 TYR B 81 46.396 -16.645 3.520 1.00 20.28 C ATOM 741 CZ TYR B 81 45.389 -16.312 2.637 1.00 17.56 C ATOM 742 OH TYR B 81 44.805 -17.289 1.867 1.00 17.81 O ATOM 743 HH TYR B 81 44.107 -16.883 1.294 1.00 0.00 H ATOM 744 H TYR B 81 49.829 -14.282 5.108 1.00 0.00 H ATOM 745 N PRO B 82 48.682 -10.358 5.120 1.00 20.97 N ATOM 746 CA PRO B 82 48.909 -9.331 6.138 1.00 20.52 C ATOM 747 C PRO B 82 48.192 -9.706 7.431 1.00 19.00 C ATOM 748 O PRO B 82 47.091 -10.258 7.384 1.00 18.87 O ATOM 749 CB PRO B 82 48.306 -8.069 5.512 1.00 21.63 C ATOM 750 CG PRO B 82 48.352 -8.321 4.039 1.00 21.84 C ATOM 751 CD PRO B 82 48.135 -9.797 3.872 1.00 19.72 C ATOM 752 N PHE B 83 48.820 -9.435 8.567 1.00 15.71 N ATOM 753 CA PHE B 83 48.205 -9.712 9.857 1.00 17.83 C ATOM 754 C PHE B 83 48.125 -8.409 10.639 1.00 19.42 C ATOM 755 O PHE B 83 49.128 -7.709 10.764 1.00 20.12 O ATOM 756 CB PHE B 83 49.000 -10.770 10.624 1.00 16.67 C ATOM 757 CG PHE B 83 48.245 -11.389 11.770 1.00 16.87 C ATOM 758 CD1 PHE B 83 47.254 -12.330 11.535 1.00 15.24 C ATOM 759 CD2 PHE B 83 48.537 -11.045 13.078 1.00 17.99 C ATOM 760 CE1 PHE B 83 46.560 -12.904 12.581 1.00 17.99 C ATOM 761 CE2 PHE B 83 47.848 -11.621 14.132 1.00 19.07 C ATOM 762 CZ PHE B 83 46.860 -12.553 13.882 1.00 18.98 C ATOM 763 H PHE B 83 49.771 -9.016 8.536 1.00 0.00 H ATOM 764 N PRO B 84 46.942 -8.080 11.186 1.00 16.97 N ATOM 765 CA PRO B 84 45.712 -8.878 11.311 1.00 16.54 C ATOM 766 C PRO B 84 44.995 -9.194 9.995 1.00 17.96 C ATOM 767 O PRO B 84 45.101 -8.440 9.026 1.00 18.16 O ATOM 768 CB PRO B 84 44.824 -7.998 12.196 1.00 15.09 C ATOM 769 CG PRO B 84 45.288 -6.610 11.923 1.00 22.84 C ATOM 770 CD PRO B 84 46.777 -6.734 11.763 1.00 19.80 C ATOM 771 N LEU B 85 44.269 -10.310 9.979 1.00 13.64 N ATOM 772 CA LEU B 85 43.567 -10.766 8.784 1.00 15.01 C ATOM 773 C LEU B 85 42.388 -9.865 8.451 1.00 15.57 C ATOM 774 O LEU B 85 41.504 -9.666 9.279 1.00 15.95 O ATOM 775 CB LEU B 85 43.071 -12.202 8.963 1.00 13.39 C ATOM 776 CG LEU B 85 44.116 -13.299 9.160 1.00 14.65 C ATOM 777 CD1 LEU B 85 43.423 -14.647 9.217 1.00 15.04 C ATOM 778 CD2 LEU B 85 45.140 -13.263 8.041 1.00 15.85 C ATOM 779 H LEU B 85 44.200 -10.876 10.849 1.00 0.00 H ATOM 780 N THR B 86 42.388 -9.329 7.234 1.00 14.65 N ATOM 781 CA THR B 86 41.292 -8.506 6.736 1.00 16.17 C ATOM 782 C THR B 86 40.367 -9.358 5.888 1.00 18.60 C ATOM 783 O THR B 86 39.399 -8.867 5.310 1.00 19.88 O ATOM 784 CB THR B 86 41.796 -7.338 5.881 1.00 17.01 C ATOM 785 OG1 THR B 86 42.341 -7.858 4.660 1.00 16.94 O ATOM 786 CG2 THR B 86 42.864 -6.553 6.624 1.00 18.80 C ATOM 787 HG1 THR B 86 41.637 -8.353 4.170 1.00 0.00 H ATOM 788 H THR B 86 43.203 -9.504 6.612 1.00 0.00 H ATOM 789 N THR B 87 40.694 -10.641 5.817 1.00 17.39 N ATOM 790 CA THR B 87 40.014 -11.580 4.940 1.00 19.41 C ATOM 791 C THR B 87 40.005 -12.967 5.560 1.00 16.31 C ATOM 792 O THR B 87 40.826 -13.273 6.421 1.00 17.61 O ATOM 793 CB THR B 87 40.703 -11.658 3.562 1.00 18.68 C ATOM 794 OG1 THR B 87 40.058 -12.647 2.752 1.00 21.11 O ATOM 795 CG2 THR B 87 42.169 -12.037 3.724 1.00 21.22 C ATOM 796 HG1 THR B 87 40.118 -13.528 3.199 1.00 0.00 H ATOM 797 H THR B 87 41.470 -10.991 6.414 1.00 0.00 H ATOM 798 N ASN B 88 39.072 -13.805 5.128 1.00 17.39 N ATOM 799 CA ASN B 88 39.199 -15.229 5.384 1.00 18.24 C ATOM 800 C ASN B 88 40.324 -15.753 4.502 1.00 16.65 C ATOM 801 O ASN B 88 40.527 -15.253 3.395 1.00 17.39 O ATOM 802 CB ASN B 88 37.888 -15.965 5.098 1.00 15.44 C ATOM 803 CG ASN B 88 36.760 -15.521 6.008 1.00 16.28 C ATOM 804 OD1 ASN B 88 36.994 -15.074 7.130 1.00 15.37 O ATOM 805 ND2 ASN B 88 35.526 -15.650 5.531 1.00 16.06 N ATOM 806 HD22 ASN B 88 35.375 -16.033 4.576 1.00 0.00 H ATOM 807 HD21 ASN B 88 34.711 -15.368 6.113 1.00 0.00 H ATOM 808 H ASN B 88 38.249 -13.442 4.606 1.00 0.00 H ATOM 809 N THR B 89 41.073 -16.736 4.990 1.00 16.28 N ATOM 810 CA THR B 89 42.172 -17.295 4.212 1.00 17.23 C ATOM 811 C THR B 89 41.680 -18.349 3.234 1.00 18.41 C ATOM 812 O THR B 89 40.495 -18.683 3.211 1.00 17.88 O ATOM 813 CB THR B 89 43.242 -17.941 5.113 1.00 16.32 C ATOM 814 OG1 THR B 89 42.707 -19.134 5.703 1.00 16.26 O ATOM 815 CG2 THR B 89 43.681 -16.980 6.207 1.00 16.28 C ATOM 816 HG1 THR B 89 42.449 -19.768 4.987 1.00 0.00 H ATOM 817 H THR B 89 40.873 -17.111 5.939 1.00 0.00 H ATOM 818 N ASN B 90 42.600 -18.890 2.441 1.00 18.55 N ATOM 819 CA ASN B 90 42.274 -20.013 1.576 1.00 20.26 C ATOM 820 C ASN B 90 41.845 -21.225 2.397 1.00 18.62 C ATOM 821 O ASN B 90 42.087 -21.294 3.605 1.00 19.79 O ATOM 822 CB ASN B 90 43.461 -20.377 0.682 1.00 16.19 C ATOM 823 CG ASN B 90 44.633 -20.932 1.468 1.00 19.42 C ATOM 824 OD1 ASN B 90 44.626 -22.091 1.875 1.00 19.83 O ATOM 825 ND2 ASN B 90 45.647 -20.103 1.684 1.00 18.53 N ATOM 826 HD22 ASN B 90 45.609 -19.129 1.320 1.00 0.00 H ATOM 827 HD21 ASN B 90 46.479 -20.427 2.217 1.00 0.00 H ATOM 828 H ASN B 90 43.566 -18.505 2.439 1.00 0.00 H ATOM 829 N VAL B 91 41.215 -22.183 1.731 1.00 18.06 N ATOM 830 CA VAL B 91 40.689 -23.362 2.398 1.00 18.93 C ATOM 831 C VAL B 91 41.665 -24.529 2.323 1.00 21.78 C ATOM 832 O VAL B 91 42.209 -24.825 1.259 1.00 21.75 O ATOM 833 CB VAL B 91 39.339 -23.790 1.788 1.00 19.38 C ATOM 834 CG1 VAL B 91 38.878 -25.114 2.378 1.00 23.33 C ATOM 835 CG2 VAL B 91 38.295 -22.712 2.012 1.00 20.99 C ATOM 836 H VAL B 91 41.094 -22.088 0.702 1.00 0.00 H ATOM 837 N LEU B 92 41.888 -25.178 3.462 1.00 18.87 N ATOM 838 CA LEU B 92 42.687 -26.396 3.519 1.00 21.77 C ATOM 839 C LEU B 92 41.764 -27.594 3.679 1.00 24.49 C ATOM 840 O LEU B 92 40.924 -27.618 4.577 1.00 19.77 O ATOM 841 CB LEU B 92 43.689 -26.344 4.675 1.00 19.38 C ATOM 842 CG LEU B 92 44.465 -27.633 4.969 1.00 23.22 C ATOM 843 CD1 LEU B 92 45.395 -27.983 3.815 1.00 23.54 C ATOM 844 CD2 LEU B 92 45.242 -27.507 6.270 1.00 23.70 C ATOM 845 H LEU B 92 41.479 -24.804 4.342 1.00 0.00 H ATOM 846 N ASP B 93 41.912 -28.580 2.799 1.00 25.38 N ATOM 847 CA ASP B 93 41.080 -29.777 2.858 1.00 23.53 C ATOM 848 C ASP B 93 41.724 -30.832 3.746 1.00 25.66 C ATOM 849 O ASP B 93 42.891 -31.176 3.569 1.00 26.41 O ATOM 850 CB ASP B 93 40.841 -30.348 1.457 1.00 33.31 C ATOM 851 CG ASP B 93 39.875 -29.508 0.638 1.00 37.78 C ATOM 852 OD1 ASP B 93 39.166 -28.661 1.223 1.00 37.30 O ATOM 853 OD2 ASP B 93 39.818 -29.702 -0.595 1.00 49.54 O ATOM 854 H ASP B 93 42.634 -28.496 2.055 1.00 0.00 H ATOM 855 N ILE B 94 40.959 -31.338 4.706 1.00 24.95 N ATOM 856 CA ILE B 94 41.447 -32.369 5.613 1.00 27.20 C ATOM 857 C ILE B 94 40.556 -33.606 5.532 1.00 28.84 C ATOM 858 O ILE B 94 39.371 -33.551 5.860 1.00 25.79 O ATOM 859 CB ILE B 94 41.507 -31.859 7.065 1.00 26.78 C ATOM 860 CG1 ILE B 94 42.629 -30.826 7.211 1.00 28.10 C ATOM 861 CG2 ILE B 94 41.730 -33.013 8.029 1.00 28.90 C ATOM 862 CD1 ILE B 94 42.889 -30.390 8.635 1.00 29.57 C ATOM 863 H ILE B 94 39.985 -30.989 4.814 1.00 0.00 H ATOM 864 N GLY B 95 41.131 -34.720 5.089 1.00 32.21 N ATOM 865 CA GLY B 95 40.362 -35.930 4.867 1.00 32.20 C ATOM 866 C GLY B 95 41.025 -37.209 5.343 1.00 34.49 C ATOM 867 O GLY B 95 40.448 -38.287 5.216 1.00 35.64 O ATOM 868 H GLY B 95 42.153 -34.724 4.898 1.00 0.00 H ATOM 869 N ASP B 96 42.233 -37.095 5.886 1.00 34.61 N ATOM 870 CA ASP B 96 42.931 -38.249 6.449 1.00 33.46 C ATOM 871 C ASP B 96 42.769 -38.294 7.971 1.00 32.77 C ATOM 872 O ASP B 96 42.542 -37.263 8.608 1.00 30.95 O ATOM 873 CB ASP B 96 44.419 -38.213 6.079 1.00 32.98 C ATOM 874 CG ASP B 96 44.654 -38.174 4.577 1.00 38.82 C ATOM 875 OD1 ASP B 96 43.920 -38.862 3.836 1.00 42.31 O ATOM 876 OD2 ASP B 96 45.577 -37.455 4.137 1.00 41.98 O ATOM 877 H ASP B 96 42.692 -36.162 5.911 1.00 0.00 H ATOM 878 N LYS B 97 42.879 -39.485 8.553 1.00 28.58 N ATOM 879 CA LYS B 97 42.867 -39.615 10.010 1.00 30.49 C ATOM 880 C LYS B 97 44.223 -39.288 10.621 1.00 26.23 C ATOM 881 O LYS B 97 44.309 -38.962 11.805 1.00 27.10 O ATOM 882 CB LYS B 97 42.441 -41.020 10.440 1.00 34.06 C ATOM 883 CG LYS B 97 41.039 -41.414 10.023 1.00 37.96 C ATOM 884 CD LYS B 97 40.750 -42.863 10.382 1.00 44.17 C ATOM 885 CE LYS B 97 41.611 -43.805 9.561 1.00 47.42 C ATOM 886 NZ LYS B 97 40.801 -44.941 9.043 1.00 52.90 N ATOM 887 HZ1 LYS B 97 40.393 -45.467 9.842 1.00 0.00 H ATOM 888 HZ2 LYS B 97 40.036 -44.574 8.442 1.00 0.00 H ATOM 889 HZ3 LYS B 97 41.410 -45.573 8.484 1.00 0.00 H ATOM 890 H LYS B 97 42.975 -40.336 7.963 1.00 0.00 H ATOM 891 N THR B 98 45.279 -39.394 9.822 1.00 25.16 N ATOM 892 CA THR B 98 46.606 -39.008 10.283 1.00 22.50 C ATOM 893 C THR B 98 46.599 -37.531 10.650 1.00 26.31 C ATOM 894 O THR B 98 46.148 -36.702 9.861 1.00 24.69 O ATOM 895 CB THR B 98 47.678 -39.279 9.216 1.00 24.99 C ATOM 896 OG1 THR B 98 47.798 -40.694 9.019 1.00 28.59 O ATOM 897 CG2 THR B 98 49.038 -38.716 9.647 1.00 23.11 C ATOM 898 HG1 THR B 98 48.488 -40.873 8.332 1.00 0.00 H ATOM 899 H THR B 98 45.157 -39.757 8.855 1.00 0.00 H ATOM 900 N PRO B 99 47.073 -37.202 11.862 1.00 24.89 N ATOM 901 CA PRO B 99 47.107 -35.800 12.286 1.00 26.68 C ATOM 902 C PRO B 99 47.933 -34.966 11.324 1.00 26.47 C ATOM 903 O PRO B 99 49.031 -35.370 10.940 1.00 28.76 O ATOM 904 CB PRO B 99 47.761 -35.861 13.672 1.00 28.84 C ATOM 905 CG PRO B 99 47.530 -37.257 14.140 1.00 32.67 C ATOM 906 CD PRO B 99 47.565 -38.110 12.911 1.00 25.75 C ATOM 907 N MET B 100 47.400 -33.825 10.913 1.00 21.38 N ATOM 908 CA MET B 100 48.159 -32.925 10.065 1.00 20.75 C ATOM 909 C MET B 100 48.502 -31.659 10.828 1.00 20.03 C ATOM 910 O MET B 100 47.605 -30.933 11.258 1.00 20.97 O ATOM 911 CB MET B 100 47.382 -32.576 8.795 1.00 25.57 C ATOM 912 CG MET B 100 48.191 -31.756 7.801 1.00 24.88 C ATOM 913 SD MET B 100 47.152 -30.898 6.606 1.00 33.25 S ATOM 914 CE MET B 100 48.345 -29.784 5.864 1.00 30.44 C ATOM 915 H MET B 100 46.433 -33.573 11.200 1.00 0.00 H ATOM 916 N PRO B 101 49.803 -31.402 11.020 1.00 19.33 N ATOM 917 CA PRO B 101 50.228 -30.119 11.579 1.00 17.11 C ATOM 918 C PRO B 101 49.673 -28.977 10.738 1.00 17.60 C ATOM 919 O PRO B 101 49.754 -29.040 9.510 1.00 18.87 O ATOM 920 CB PRO B 101 51.754 -30.182 11.494 1.00 21.23 C ATOM 921 CG PRO B 101 52.069 -31.646 11.491 1.00 18.77 C ATOM 922 CD PRO B 101 50.943 -32.296 10.745 1.00 20.56 C ATOM 923 N LEU B 102 49.099 -27.964 11.377 1.00 18.69 N ATOM 924 CA LEU B 102 48.541 -26.844 10.630 1.00 17.04 C ATOM 925 C LEU B 102 49.650 -26.086 9.921 1.00 19.91 C ATOM 926 O LEU B 102 50.629 -25.690 10.552 1.00 18.60 O ATOM 927 CB LEU B 102 47.761 -25.906 11.554 1.00 17.17 C ATOM 928 CG LEU B 102 46.480 -26.495 12.149 1.00 18.08 C ATOM 929 CD1 LEU B 102 45.655 -25.415 12.828 1.00 20.92 C ATOM 930 CD2 LEU B 102 45.674 -27.191 11.070 1.00 18.70 C ATOM 931 H LEU B 102 49.047 -27.970 12.416 1.00 0.00 H ATOM 932 N PRO B 103 49.509 -25.894 8.600 1.00 18.86 N ATOM 933 CA PRO B 103 50.496 -25.150 7.812 1.00 19.53 C ATOM 934 C PRO B 103 50.419 -23.662 8.129 1.00 19.51 C ATOM 935 O PRO B 103 49.958 -22.874 7.304 1.00 19.82 O ATOM 936 CB PRO B 103 50.078 -25.436 6.370 1.00 21.76 C ATOM 937 CG PRO B 103 48.606 -25.670 6.458 1.00 22.83 C ATOM 938 CD PRO B 103 48.379 -26.358 7.776 1.00 19.39 C ATOM 939 N LEU B 104 50.878 -23.293 9.319 1.00 19.45 N ATOM 940 CA LEU B 104 50.584 -21.983 9.884 1.00 17.68 C ATOM 941 C LEU B 104 51.795 -21.357 10.568 1.00 21.66 C ATOM 942 O LEU B 104 52.366 -21.940 11.486 1.00 20.30 O ATOM 943 CB LEU B 104 49.430 -22.104 10.880 1.00 18.70 C ATOM 944 CG LEU B 104 49.059 -20.873 11.705 1.00 20.69 C ATOM 945 CD1 LEU B 104 48.681 -19.724 10.792 1.00 17.65 C ATOM 946 CD2 LEU B 104 47.919 -21.212 12.660 1.00 18.10 C ATOM 947 H LEU B 104 51.464 -23.958 9.863 1.00 0.00 H ATOM 948 N LYS B 105 52.173 -20.165 10.114 1.00 18.23 N ATOM 949 CA LYS B 105 53.261 -19.415 10.728 1.00 19.22 C ATOM 950 C LYS B 105 52.868 -17.957 10.918 1.00 18.40 C ATOM 951 O LYS B 105 52.189 -17.369 10.075 1.00 21.89 O ATOM 952 CB LYS B 105 54.534 -19.507 9.883 1.00 21.64 C ATOM 953 CG LYS B 105 55.111 -20.909 9.777 1.00 27.24 C ATOM 954 CD LYS B 105 56.289 -20.948 8.819 1.00 30.20 C ATOM 955 CE LYS B 105 56.630 -22.377 8.428 1.00 38.13 C ATOM 956 NZ LYS B 105 57.489 -22.420 7.213 1.00 45.92 N ATOM 957 HZ1 LYS B 105 56.988 -21.972 6.420 1.00 0.00 H ATOM 958 HZ2 LYS B 105 58.375 -21.908 7.398 1.00 0.00 H ATOM 959 HZ3 LYS B 105 57.702 -23.410 6.975 1.00 0.00 H ATOM 960 H LYS B 105 51.677 -19.756 9.296 1.00 0.00 H ATOM 961 N LEU B 106 53.292 -17.385 12.037 1.00 16.93 N ATOM 962 CA LEU B 106 53.029 -15.988 12.341 1.00 20.29 C ATOM 963 C LEU B 106 54.342 -15.219 12.362 1.00 20.83 C ATOM 964 O LEU B 106 55.291 -15.622 13.034 1.00 21.11 O ATOM 965 CB LEU B 106 52.304 -15.862 13.682 1.00 23.82 C ATOM 966 CG LEU B 106 51.941 -14.478 14.223 1.00 24.01 C ATOM 967 CD1 LEU B 106 51.066 -13.718 13.239 1.00 24.29 C ATOM 968 CD2 LEU B 106 51.242 -14.622 15.569 1.00 24.20 C ATOM 969 H LEU B 106 53.831 -17.955 12.720 1.00 0.00 H ATOM 970 N TYR B 107 54.396 -14.122 11.613 1.00 20.16 N ATOM 971 CA TYR B 107 55.583 -13.274 11.571 1.00 22.06 C ATOM 972 C TYR B 107 55.307 -11.943 12.257 1.00 22.37 C ATOM 973 O TYR B 107 54.314 -11.280 11.960 1.00 21.47 O ATOM 974 CB TYR B 107 56.033 -13.051 10.127 1.00 23.63 C ATOM 975 CG TYR B 107 56.446 -14.323 9.426 1.00 22.73 C ATOM 976 CD1 TYR B 107 55.531 -15.068 8.691 1.00 25.71 C ATOM 977 CD2 TYR B 107 57.752 -14.785 9.506 1.00 27.48 C ATOM 978 CE1 TYR B 107 55.910 -16.235 8.053 1.00 27.01 C ATOM 979 CE2 TYR B 107 58.138 -15.947 8.872 1.00 34.69 C ATOM 980 CZ TYR B 107 57.217 -16.668 8.148 1.00 31.06 C ATOM 981 OH TYR B 107 57.611 -17.827 7.520 1.00 36.55 O ATOM 982 HH TYR B 107 56.838 -18.223 7.046 1.00 0.00 H ATOM 983 H TYR B 107 53.568 -13.860 11.040 1.00 0.00 H ATOM 984 N ILE B 108 56.186 -11.562 13.179 1.00 23.28 N ATOM 985 CA ILE B 108 55.977 -10.374 13.999 1.00 24.60 C ATOM 986 C ILE B 108 57.139 -9.388 13.903 1.00 28.30 C ATOM 987 O ILE B 108 58.297 -9.761 14.087 1.00 27.93 O ATOM 988 CB ILE B 108 55.779 -10.753 15.486 1.00 25.56 C ATOM 989 CG1 ILE B 108 54.862 -11.973 15.614 1.00 23.41 C ATOM 990 CG2 ILE B 108 55.249 -9.565 16.278 1.00 24.79 C ATOM 991 CD1 ILE B 108 54.634 -12.429 17.039 1.00 25.61 C ATOM 992 H ILE B 108 57.047 -12.127 13.320 1.00 0.00 H ATOM 993 N THR B 109 56.822 -8.129 13.616 1.00 26.86 N ATOM 994 CA THR B 109 57.814 -7.056 13.642 1.00 29.47 C ATOM 995 C THR B 109 57.456 -6.047 14.728 1.00 33.20 C ATOM 996 O THR B 109 56.524 -5.263 14.564 1.00 32.07 O ATOM 997 CB THR B 109 57.912 -6.329 12.288 1.00 32.24 C ATOM 998 OG1 THR B 109 58.062 -7.287 11.233 1.00 36.51 O ATOM 999 CG2 THR B 109 59.101 -5.378 12.281 1.00 36.12 C ATOM 1000 HG1 THR B 109 57.279 -7.892 11.224 1.00 0.00 H ATOM 1001 H THR B 109 55.839 -7.901 13.366 1.00 0.00 H ATOM 1002 N PRO B 110 58.170 -6.081 15.842 1.00 33.04 N ATOM 1003 CA PRO B 110 57.852 -5.210 16.949 1.00 34.43 C ATOM 1004 C PRO B 110 58.021 -3.750 16.646 1.00 41.78 C ATOM 1005 O PRO B 110 59.007 -3.379 16.086 1.00 41.64 O ATOM 1006 CB PRO B 110 58.836 -5.644 18.021 1.00 36.88 C ATOM 1007 CG PRO B 110 59.100 -7.044 17.719 1.00 33.10 C ATOM 1008 CD PRO B 110 59.171 -7.069 16.233 1.00 31.65 C ATOM 1009 N VAL B 111 57.036 -2.959 17.043 1.00 42.80 N ATOM 1010 CA VAL B 111 57.032 -1.523 16.861 1.00 44.37 C ATOM 1011 C VAL B 111 56.217 -0.951 17.993 1.00 42.87 C ATOM 1012 O VAL B 111 55.053 -1.210 18.075 1.00 45.33 O ATOM 1013 CB VAL B 111 56.371 -1.139 15.522 1.00 46.06 C ATOM 1014 CG1 VAL B 111 55.987 0.329 15.472 1.00 49.15 C ATOM 1015 CG2 VAL B 111 57.291 -1.475 14.384 1.00 45.44 C ATOM 1016 H VAL B 111 56.217 -3.395 17.513 1.00 0.00 H ATOM 1017 N GLY B 112 56.816 -0.145 18.845 1.00 51.14 N ATOM 1018 CA GLY B 112 58.229 0.150 18.858 1.00 51.65 C ATOM 1019 C GLY B 112 59.000 -0.946 19.592 1.00 53.68 C ATOM 1020 O GLY B 112 59.654 -1.712 18.937 1.00 57.45 O ATOM 1021 H GLY B 112 56.224 0.315 19.566 1.00 0.00 H ATOM 1022 N ALA B 113 58.918 -1.072 20.913 1.00 52.61 N ATOM 1023 CA ALA B 113 58.180 -0.209 21.819 1.00 52.20 C ATOM 1024 C ALA B 113 58.415 -0.469 23.304 1.00 55.11 C ATOM 1025 O ALA B 113 58.857 -1.531 23.718 1.00 55.26 O ATOM 1026 CB ALA B 113 56.696 -0.234 21.546 1.00 50.60 C ATOM 1027 H ALA B 113 59.434 -1.868 21.340 1.00 0.00 H ATOM 1028 N ALA B 114 58.071 0.553 24.069 1.00 55.31 N ATOM 1029 CA ALA B 114 58.153 0.643 25.520 1.00 53.49 C ATOM 1030 C ALA B 114 59.298 -0.049 26.215 1.00 52.67 C ATOM 1031 O ALA B 114 59.220 -1.175 26.663 1.00 49.63 O ATOM 1032 CB ALA B 114 56.829 0.320 26.182 1.00 52.24 C ATOM 1033 H ALA B 114 57.698 1.390 23.577 1.00 0.00 H ATOM 1034 N GLY B 115 60.359 0.712 26.306 1.00 53.26 N ATOM 1035 CA GLY B 115 61.575 0.303 26.927 1.00 51.80 C ATOM 1036 C GLY B 115 62.140 -0.775 26.070 1.00 52.58 C ATOM 1037 O GLY B 115 62.207 -0.656 24.862 1.00 59.54 O ATOM 1038 H GLY B 115 60.312 1.669 25.902 1.00 0.00 H ATOM 1039 N GLY B 116 62.544 -1.828 26.727 1.00 47.52 N ATOM 1040 CA GLY B 116 63.100 -2.924 26.029 1.00 39.23 C ATOM 1041 C GLY B 116 62.216 -4.128 26.116 1.00 34.06 C ATOM 1042 O GLY B 116 62.629 -5.126 25.672 1.00 31.64 O ATOM 1043 H GLY B 116 62.457 -1.860 27.763 1.00 0.00 H ATOM 1044 N VAL B 117 61.036 -4.008 26.688 1.00 30.44 N ATOM 1045 CA VAL B 117 60.112 -5.111 26.828 1.00 26.93 C ATOM 1046 C VAL B 117 59.228 -5.290 25.593 1.00 33.17 C ATOM 1047 O VAL B 117 58.384 -4.495 25.297 1.00 31.51 O ATOM 1048 CB VAL B 117 59.235 -4.971 28.091 1.00 28.33 C ATOM 1049 CG1 VAL B 117 58.411 -6.207 28.328 1.00 29.12 C ATOM 1050 CG2 VAL B 117 60.065 -4.687 29.314 1.00 30.40 C ATOM 1051 H VAL B 117 60.756 -3.077 27.056 1.00 0.00 H ATOM 1052 N VAL B 118 59.448 -6.365 24.885 1.00 26.81 N ATOM 1053 CA VAL B 118 58.687 -6.667 23.679 1.00 26.80 C ATOM 1054 C VAL B 118 57.468 -7.518 24.021 1.00 29.67 C ATOM 1055 O VAL B 118 56.350 -7.232 23.585 1.00 31.47 O ATOM 1056 CB VAL B 118 59.550 -7.405 22.638 1.00 28.62 C ATOM 1057 CG1 VAL B 118 58.735 -7.715 21.392 1.00 30.98 C ATOM 1058 CG2 VAL B 118 60.781 -6.584 22.291 1.00 30.41 C ATOM 1059 H VAL B 118 60.190 -7.027 25.191 1.00 0.00 H ATOM 1060 N ILE B 119 57.701 -8.563 24.810 1.00 23.79 N ATOM 1061 CA ILE B 119 56.664 -9.509 25.209 1.00 24.00 C ATOM 1062 C ILE B 119 56.965 -10.016 26.618 1.00 23.28 C ATOM 1063 O ILE B 119 58.126 -10.228 26.964 1.00 21.42 O ATOM 1064 CB ILE B 119 56.574 -10.697 24.216 1.00 28.01 C ATOM 1065 CG1 ILE B 119 55.928 -10.251 22.901 1.00 30.65 C ATOM 1066 CG2 ILE B 119 55.776 -11.851 24.799 1.00 23.69 C ATOM 1067 CD1 ILE B 119 56.094 -11.240 21.773 1.00 34.82 C ATOM 1068 H ILE B 119 58.669 -8.713 25.159 1.00 0.00 H ATOM 1069 N LYS B 120 55.928 -10.181 27.435 1.00 24.46 N ATOM 1070 CA LYS B 120 56.081 -10.771 28.764 1.00 23.44 C ATOM 1071 C LYS B 120 55.728 -12.249 28.738 1.00 25.03 C ATOM 1072 O LYS B 120 54.898 -12.681 27.938 1.00 20.90 O ATOM 1073 CB LYS B 120 55.193 -10.059 29.785 1.00 22.16 C ATOM 1074 CG LYS B 120 55.511 -8.592 29.981 1.00 25.40 C ATOM 1075 CD LYS B 120 54.559 -7.956 30.977 1.00 30.80 C ATOM 1076 CE LYS B 120 53.147 -7.898 30.417 1.00 38.51 C ATOM 1077 NZ LYS B 120 52.211 -7.168 31.320 1.00 45.33 N ATOM 1078 HZ1 LYS B 120 52.174 -7.649 32.241 1.00 0.00 H ATOM 1079 HZ2 LYS B 120 52.547 -6.193 31.451 1.00 0.00 H ATOM 1080 HZ3 LYS B 120 51.262 -7.155 30.896 1.00 0.00 H ATOM 1081 H LYS B 120 54.983 -9.882 27.120 1.00 0.00 H ATOM 1082 N ALA B 121 56.352 -13.024 29.619 1.00 20.30 N ATOM 1083 CA ALA B 121 55.961 -14.413 29.793 1.00 20.12 C ATOM 1084 C ALA B 121 54.488 -14.479 30.182 1.00 21.09 C ATOM 1085 O ALA B 121 54.027 -13.699 31.015 1.00 20.36 O ATOM 1086 CB ALA B 121 56.823 -15.090 30.841 1.00 22.48 C ATOM 1087 H ALA B 121 57.128 -12.633 30.190 1.00 0.00 H ATOM 1088 N GLY B 122 53.755 -15.394 29.555 1.00 19.80 N ATOM 1089 CA GLY B 122 52.346 -15.591 29.849 1.00 21.29 C ATOM 1090 C GLY B 122 51.410 -14.676 29.079 1.00 22.73 C ATOM 1091 O GLY B 122 50.188 -14.801 29.175 1.00 18.44 O ATOM 1092 H GLY B 122 54.205 -15.988 28.830 1.00 0.00 H ATOM 1093 N GLU B 123 51.980 -13.753 28.311 1.00 20.04 N ATOM 1094 CA GLU B 123 51.183 -12.784 27.562 1.00 19.61 C ATOM 1095 C GLU B 123 50.558 -13.394 26.306 1.00 18.80 C ATOM 1096 O GLU B 123 51.200 -14.161 25.593 1.00 15.43 O ATOM 1097 CB GLU B 123 52.049 -11.578 27.180 1.00 21.79 C ATOM 1098 CG GLU B 123 51.296 -10.465 26.479 1.00 21.23 C ATOM 1099 CD GLU B 123 52.152 -9.238 26.236 1.00 26.96 C ATOM 1100 OE1 GLU B 123 53.370 -9.286 26.522 1.00 25.45 O ATOM 1101 OE2 GLU B 123 51.605 -8.223 25.756 1.00 22.32 O ATOM 1102 H GLU B 123 53.017 -13.720 28.242 1.00 0.00 H ATOM 1103 N VAL B 124 49.300 -13.052 26.043 1.00 21.23 N ATOM 1104 CA VAL B 124 48.664 -13.418 24.784 1.00 19.92 C ATOM 1105 C VAL B 124 49.258 -12.571 23.669 1.00 18.54 C ATOM 1106 O VAL B 124 49.223 -11.342 23.739 1.00 21.80 O ATOM 1107 CB VAL B 124 47.134 -13.205 24.818 1.00 20.51 C ATOM 1108 CG1 VAL B 124 46.509 -13.608 23.485 1.00 19.15 C ATOM 1109 CG2 VAL B 124 46.511 -13.984 25.962 1.00 21.85 C ATOM 1110 H VAL B 124 48.760 -12.513 26.749 1.00 0.00 H ATOM 1111 N ILE B 125 49.808 -13.208 22.643 1.00 16.13 N ATOM 1112 CA ILE B 125 50.390 -12.438 21.550 1.00 19.27 C ATOM 1113 C ILE B 125 49.444 -12.327 20.354 1.00 18.82 C ATOM 1114 O ILE B 125 49.495 -11.345 19.616 1.00 20.36 O ATOM 1115 CB ILE B 125 51.743 -13.026 21.091 1.00 25.00 C ATOM 1116 CG1 ILE B 125 51.600 -14.480 20.649 1.00 25.20 C ATOM 1117 CG2 ILE B 125 52.773 -12.917 22.207 1.00 29.92 C ATOM 1118 CD1 ILE B 125 52.935 -15.183 20.454 1.00 31.12 C ATOM 1119 H ILE B 125 49.824 -14.248 22.619 1.00 0.00 H ATOM 1120 N ALA B 126 48.576 -13.319 20.172 1.00 18.34 N ATOM 1121 CA ALA B 126 47.616 -13.293 19.072 1.00 18.71 C ATOM 1122 C ALA B 126 46.420 -14.189 19.346 1.00 21.46 C ATOM 1123 O ALA B 126 46.500 -15.138 20.128 1.00 18.19 O ATOM 1124 CB ALA B 126 48.287 -13.709 17.766 1.00 16.79 C ATOM 1125 H ALA B 126 48.581 -14.128 20.825 1.00 0.00 H ATOM 1126 N ARG B 127 45.307 -13.874 18.691 1.00 18.83 N ATOM 1127 CA ARG B 127 44.118 -14.708 18.738 1.00 17.00 C ATOM 1128 C ARG B 127 43.742 -15.071 17.314 1.00 19.93 C ATOM 1129 O ARG B 127 43.356 -14.207 16.526 1.00 18.51 O ATOM 1130 CB ARG B 127 42.964 -13.982 19.435 1.00 24.02 C ATOM 1131 CG ARG B 127 43.359 -13.342 20.752 1.00 24.50 C ATOM 1132 CD ARG B 127 42.311 -12.356 21.243 1.00 31.94 C ATOM 1133 NE ARG B 127 42.830 -11.511 22.316 1.00 35.81 N ATOM 1134 CZ ARG B 127 42.844 -11.859 23.597 1.00 34.87 C ATOM 1135 NH1 ARG B 127 42.359 -13.036 23.965 1.00 35.98 N ATOM 1136 NH2 ARG B 127 43.338 -11.032 24.510 1.00 35.62 N ATOM 1137 HE ARG B 127 43.212 -10.578 22.060 1.00 0.00 H ATOM 1138 HH12 ARG B 127 42.368 -13.312 24.968 1.00 0.00 H ATOM 1139 HH11 ARG B 127 41.969 -13.684 23.251 1.00 0.00 H ATOM 1140 HH22 ARG B 127 43.347 -11.309 25.512 1.00 0.00 H ATOM 1141 HH21 ARG B 127 43.716 -10.107 24.223 1.00 0.00 H ATOM 1142 H ARG B 127 45.287 -13.001 18.126 1.00 0.00 H ATOM 1143 N ILE B 128 43.863 -16.350 16.981 1.00 17.68 N ATOM 1144 CA ILE B 128 43.641 -16.799 15.614 1.00 16.73 C ATOM 1145 C ILE B 128 42.391 -17.673 15.527 1.00 18.54 C ATOM 1146 O ILE B 128 42.348 -18.778 16.067 1.00 16.81 O ATOM 1147 CB ILE B 128 44.878 -17.558 15.084 1.00 15.12 C ATOM 1148 CG1 ILE B 128 46.105 -16.643 15.122 1.00 20.54 C ATOM 1149 CG2 ILE B 128 44.645 -18.071 13.673 1.00 15.66 C ATOM 1150 CD1 ILE B 128 47.400 -17.339 14.773 1.00 22.00 C ATOM 1151 H ILE B 128 44.121 -17.045 17.710 1.00 0.00 H ATOM 1152 N HIS B 129 41.368 -17.143 14.861 1.00 16.04 N ATOM 1153 CA HIS B 129 40.091 -17.819 14.697 1.00 16.20 C ATOM 1154 C HIS B 129 40.151 -18.757 13.495 1.00 15.01 C ATOM 1155 O HIS B 129 40.609 -18.374 12.415 1.00 13.80 O ATOM 1156 CB HIS B 129 38.967 -16.782 14.535 1.00 17.85 C ATOM 1157 CG HIS B 129 37.603 -17.376 14.354 1.00 20.98 C ATOM 1158 ND1 HIS B 129 36.526 -16.630 13.913 1.00 21.21 N ATOM 1159 CD2 HIS B 129 37.133 -18.627 14.559 1.00 22.59 C ATOM 1160 CE1 HIS B 129 35.457 -17.404 13.849 1.00 25.64 C ATOM 1161 NE2 HIS B 129 35.798 -18.623 14.234 1.00 21.52 N ATOM 1162 H HIS B 129 41.487 -16.201 14.438 1.00 0.00 H ATOM 1163 N MET B 130 39.703 -19.992 13.700 1.00 16.43 N ATOM 1164 CA MET B 130 39.692 -21.000 12.651 1.00 12.76 C ATOM 1165 C MET B 130 38.268 -21.505 12.423 1.00 16.32 C ATOM 1166 O MET B 130 37.512 -21.695 13.375 1.00 16.90 O ATOM 1167 CB MET B 130 40.620 -22.162 13.019 1.00 17.39 C ATOM 1168 CG MET B 130 40.852 -23.152 11.889 1.00 17.64 C ATOM 1169 SD MET B 130 41.951 -24.496 12.377 1.00 17.53 S ATOM 1170 CE MET B 130 40.853 -25.481 13.386 1.00 17.79 C ATOM 1171 H MET B 130 39.348 -20.246 14.644 1.00 0.00 H ATOM 1172 N TYR B 131 37.903 -21.714 11.163 1.00 15.40 N ATOM 1173 CA TYR B 131 36.561 -22.176 10.832 1.00 15.81 C ATOM 1174 C TYR B 131 36.603 -23.544 10.172 1.00 16.13 C ATOM 1175 O TYR B 131 37.391 -23.776 9.256 1.00 17.77 O ATOM 1176 CB TYR B 131 35.854 -21.172 9.917 1.00 14.45 C ATOM 1177 CG TYR B 131 34.452 -21.583 9.506 1.00 15.70 C ATOM 1178 CD1 TYR B 131 33.395 -21.505 10.403 1.00 14.67 C ATOM 1179 CD2 TYR B 131 34.185 -22.032 8.217 1.00 14.59 C ATOM 1180 CE1 TYR B 131 32.107 -21.870 10.030 1.00 15.53 C ATOM 1181 CE2 TYR B 131 32.900 -22.398 7.835 1.00 16.01 C ATOM 1182 CZ TYR B 131 31.868 -22.315 8.749 1.00 17.02 C ATOM 1183 OH TYR B 131 30.589 -22.677 8.381 1.00 17.05 O ATOM 1184 HH TYR B 131 29.979 -22.557 9.151 1.00 0.00 H ATOM 1185 H TYR B 131 38.588 -21.545 10.399 1.00 0.00 H ATOM 1186 N LYS B 132 35.750 -24.445 10.647 1.00 15.38 N ATOM 1187 CA LYS B 132 35.636 -25.778 10.070 1.00 15.53 C ATOM 1188 C LYS B 132 34.222 -26.033 9.574 1.00 16.90 C ATOM 1189 O LYS B 132 33.258 -25.761 10.282 1.00 17.66 O ATOM 1190 CB LYS B 132 36.017 -26.854 11.093 1.00 16.69 C ATOM 1191 CG LYS B 132 35.651 -28.283 10.660 1.00 17.97 C ATOM 1192 CD LYS B 132 34.355 -28.775 11.305 1.00 19.84 C ATOM 1193 CE LYS B 132 33.862 -30.067 10.658 1.00 22.03 C ATOM 1194 NZ LYS B 132 32.639 -30.608 11.328 1.00 23.65 N ATOM 1195 HZ1 LYS B 132 32.852 -30.808 12.326 1.00 0.00 H ATOM 1196 HZ2 LYS B 132 31.874 -29.906 11.270 1.00 0.00 H ATOM 1197 HZ3 LYS B 132 32.344 -31.485 10.853 1.00 0.00 H ATOM 1198 H LYS B 132 35.146 -24.191 11.455 1.00 0.00 H ATOM 1199 N ILE B 133 34.105 -26.559 8.360 1.00 19.52 N ATOM 1200 CA ILE B 133 32.838 -27.104 7.887 1.00 17.53 C ATOM 1201 C ILE B 133 33.129 -28.335 7.027 1.00 19.55 C ATOM 1202 O ILE B 133 34.103 -28.361 6.275 1.00 19.67 O ATOM 1203 CB ILE B 133 32.006 -26.057 7.101 1.00 18.48 C ATOM 1204 CG1 ILE B 133 30.597 -26.593 6.820 1.00 23.89 C ATOM 1205 CG2 ILE B 133 32.705 -25.642 5.810 1.00 22.49 C ATOM 1206 CD1 ILE B 133 29.633 -25.549 6.298 1.00 21.59 C ATOM 1207 H ILE B 133 34.935 -26.583 7.733 1.00 0.00 H ATOM 1208 N ALA B 134 32.302 -29.365 7.164 1.00 21.02 N ATOM 1209 CA ALA B 134 32.507 -30.609 6.427 1.00 26.25 C ATOM 1210 C ALA B 134 31.745 -30.599 5.105 1.00 29.62 C ATOM 1211 O ALA B 134 31.300 -29.547 4.648 1.00 28.51 O ATOM 1212 CB ALA B 134 32.085 -31.799 7.271 1.00 28.86 C ATOM 1213 H ALA B 134 31.491 -29.284 7.810 1.00 0.00 H ATOM 1214 N THR B 135 31.594 -31.775 4.501 1.00 34.97 N ATOM 1215 CA THR B 135 30.896 -31.904 3.224 1.00 31.75 C ATOM 1216 C THR B 135 29.471 -32.430 3.390 1.00 38.81 C ATOM 1217 O THR B 135 28.531 -31.904 2.792 1.00 37.50 O ATOM 1218 CB THR B 135 31.644 -32.849 2.262 1.00 37.11 C ATOM 1219 OG1 THR B 135 31.745 -34.151 2.853 1.00 42.80 O ATOM 1220 CG2 THR B 135 33.034 -32.325 1.960 1.00 28.92 C ATOM 1221 HG1 THR B 135 32.242 -34.087 3.707 1.00 0.00 H ATOM 1222 H THR B 135 31.984 -32.627 4.951 1.00 0.00 H ATOM 1223 N LEU B 136 29.320 -33.472 4.201 1.00 34.64 N ATOM 1224 CA LEU B 136 28.037 -34.152 4.350 1.00 37.61 C ATOM 1225 C LEU B 136 27.045 -33.372 5.211 1.00 39.21 C ATOM 1226 O LEU B 136 27.421 -32.749 6.205 1.00 36.62 O ATOM 1227 CB LEU B 136 28.249 -35.548 4.940 1.00 38.54 C ATOM 1228 CG LEU B 136 28.045 -36.722 3.979 1.00 42.72 C ATOM 1229 CD1 LEU B 136 28.742 -36.467 2.647 1.00 42.41 C ATOM 1230 CD2 LEU B 136 28.524 -38.024 4.610 1.00 41.82 C ATOM 1231 H LEU B 136 30.139 -33.812 4.745 1.00 0.00 H ATOM 1232 N GLY B 137 25.772 -33.427 4.820 1.00 39.04 N ATOM 1233 CA GLY B 137 24.685 -32.764 5.514 1.00 38.04 C ATOM 1234 C GLY B 137 24.834 -31.270 5.658 1.00 37.50 C ATOM 1235 O GLY B 137 25.136 -30.610 4.733 1.00 38.41 O ATOM 1236 H GLY B 137 25.545 -33.978 3.967 1.00 0.00 H ATOM 1237 N SER B 138 24.620 -30.765 6.856 1.00 35.09 N ATOM 1238 CA SER B 138 24.768 -29.347 7.104 1.00 40.48 C ATOM 1239 C SER B 138 26.222 -28.925 7.181 1.00 33.63 C ATOM 1240 O SER B 138 26.507 -27.777 7.267 1.00 36.22 O ATOM 1241 CB SER B 138 24.165 -29.020 8.458 1.00 20.00 C ATOM 1242 OG SER B 138 24.969 -29.564 9.489 1.00 20.00 O ATOM 1243 HG SER B 138 24.569 -29.346 10.368 1.00 0.00 H ATOM 1244 H SER B 138 24.341 -31.395 7.635 1.00 0.00 H ATOM 1245 N GLY B 139 27.121 -29.880 7.180 1.00 30.26 N ATOM 1246 CA GLY B 139 28.528 -29.616 7.290 1.00 30.80 C ATOM 1247 C GLY B 139 29.062 -29.564 8.710 1.00 27.23 C ATOM 1248 O GLY B 139 30.223 -29.556 8.926 1.00 26.18 O ATOM 1249 H GLY B 139 26.802 -30.866 7.096 1.00 0.00 H ATOM 1250 N ASN B 140 28.162 -29.501 9.652 1.00 22.61 N ATOM 1251 CA ASN B 140 28.474 -29.451 11.064 1.00 24.50 C ATOM 1252 C ASN B 140 29.562 -28.405 11.420 1.00 21.98 C ATOM 1253 O ASN B 140 30.553 -28.683 11.989 1.00 20.15 O ATOM 1254 CB ASN B 140 28.865 -30.831 11.503 1.00 25.01 C ATOM 1255 CG ASN B 140 29.026 -30.959 12.956 1.00 33.86 C ATOM 1256 OD1 ASN B 140 28.474 -30.217 13.732 1.00 36.29 O ATOM 1257 ND2 ASN B 140 29.788 -31.936 13.344 1.00 39.40 N ATOM 1258 HD22 ASN B 140 30.244 -32.551 12.640 1.00 0.00 H ATOM 1259 HD21 ASN B 140 29.942 -32.104 14.359 1.00 0.00 H ATOM 1260 H ASN B 140 27.161 -29.486 9.372 1.00 0.00 H ATOM 1261 N PRO B 141 29.248 -27.125 11.009 1.00 20.37 N ATOM 1262 CA PRO B 141 30.278 -26.103 11.239 1.00 18.48 C ATOM 1263 C PRO B 141 30.709 -25.918 12.667 1.00 18.43 C ATOM 1264 O PRO B 141 29.940 -26.008 13.540 1.00 17.40 O ATOM 1265 CB PRO B 141 29.613 -24.819 10.768 1.00 19.93 C ATOM 1266 CG PRO B 141 28.208 -25.039 11.020 1.00 17.75 C ATOM 1267 CD PRO B 141 28.027 -26.390 10.467 1.00 21.79 C ATOM 1268 N ARG B 142 31.989 -25.643 12.838 1.00 19.18 N ATOM 1269 CA ARG B 142 32.580 -25.444 14.136 1.00 18.60 C ATOM 1270 C ARG B 142 33.605 -24.319 14.142 1.00 16.89 C ATOM 1271 O ARG B 142 34.321 -24.153 13.214 1.00 19.35 O ATOM 1272 CB ARG B 142 33.291 -26.706 14.631 1.00 19.45 C ATOM 1273 CG ARG B 142 32.405 -27.928 14.831 1.00 22.89 C ATOM 1274 CD ARG B 142 31.611 -27.932 16.110 1.00 23.40 C ATOM 1275 NE ARG B 142 30.827 -29.136 16.274 1.00 32.50 N ATOM 1276 CZ ARG B 142 31.227 -30.233 16.924 1.00 41.66 C ATOM 1277 NH1 ARG B 142 32.405 -30.290 17.500 1.00 35.36 N ATOM 1278 NH2 ARG B 142 30.419 -31.289 17.028 1.00 44.04 N ATOM 1279 HE ARG B 142 29.876 -29.149 15.853 1.00 0.00 H ATOM 1280 HH12 ARG B 142 32.698 -31.153 18.001 1.00 0.00 H ATOM 1281 HH11 ARG B 142 33.046 -29.472 17.455 1.00 0.00 H ATOM 1282 HH22 ARG B 142 30.737 -32.139 17.535 1.00 0.00 H ATOM 1283 HH21 ARG B 142 29.471 -31.262 16.602 1.00 0.00 H ATOM 1284 H ARG B 142 32.597 -25.567 11.998 1.00 0.00 H ATOM 1285 N ASN B 143 33.655 -23.592 15.238 1.00 15.30 N ATOM 1286 CA ASN B 143 34.603 -22.515 15.432 1.00 17.60 C ATOM 1287 C ASN B 143 35.657 -22.870 16.474 1.00 20.63 C ATOM 1288 O ASN B 143 35.345 -23.433 17.457 1.00 18.02 O ATOM 1289 CB ASN B 143 33.937 -21.226 15.889 1.00 19.34 C ATOM 1290 CG ASN B 143 33.044 -20.610 14.841 1.00 22.05 C ATOM 1291 OD1 ASN B 143 33.502 -20.086 13.884 1.00 21.48 O ATOM 1292 ND2 ASN B 143 31.785 -20.673 15.058 1.00 21.49 N ATOM 1293 HD22 ASN B 143 31.428 -21.144 15.914 1.00 0.00 H ATOM 1294 HD21 ASN B 143 31.119 -20.253 14.379 1.00 0.00 H ATOM 1295 H ASN B 143 32.981 -23.801 16.002 1.00 0.00 H ATOM 1296 N PHE B 144 36.885 -22.485 16.186 1.00 16.81 N ATOM 1297 CA PHE B 144 37.990 -22.663 17.068 1.00 17.91 C ATOM 1298 C PHE B 144 38.726 -21.350 17.180 1.00 19.32 C ATOM 1299 O PHE B 144 38.850 -20.653 16.241 1.00 18.95 O ATOM 1300 CB PHE B 144 39.040 -23.610 16.509 1.00 19.78 C ATOM 1301 CG PHE B 144 38.614 -25.022 16.351 1.00 20.78 C ATOM 1302 CD1 PHE B 144 39.068 -25.979 17.215 1.00 21.44 C ATOM 1303 CD2 PHE B 144 37.861 -25.414 15.296 1.00 19.62 C ATOM 1304 CE1 PHE B 144 38.724 -27.270 17.054 1.00 20.95 C ATOM 1305 CE2 PHE B 144 37.513 -26.711 15.138 1.00 20.24 C ATOM 1306 CZ PHE B 144 37.947 -27.642 16.031 1.00 21.91 C ATOM 1307 H PHE B 144 37.056 -22.028 15.268 1.00 0.00 H ATOM 1308 N THR B 145 39.221 -21.047 18.352 1.00 18.10 N ATOM 1309 CA THR B 145 40.095 -19.899 18.544 1.00 15.73 C ATOM 1310 C THR B 145 41.382 -20.373 19.190 1.00 19.62 C ATOM 1311 O THR B 145 41.359 -21.042 20.222 1.00 20.26 O ATOM 1312 CB THR B 145 39.453 -18.801 19.411 1.00 18.53 C ATOM 1313 OG1 THR B 145 38.326 -18.246 18.723 1.00 21.61 O ATOM 1314 CG2 THR B 145 40.456 -17.687 19.680 1.00 20.63 C ATOM 1315 HG1 THR B 145 37.662 -18.960 18.549 1.00 0.00 H ATOM 1316 H THR B 145 38.983 -21.643 19.170 1.00 0.00 H ATOM 1317 N TRP B 146 42.504 -20.049 18.563 1.00 17.71 N ATOM 1318 CA TRP B 146 43.800 -20.400 19.117 1.00 17.61 C ATOM 1319 C TRP B 146 44.420 -19.173 19.768 1.00 18.03 C ATOM 1320 O TRP B 146 44.857 -18.252 19.078 1.00 20.55 O ATOM 1321 CB TRP B 146 44.719 -20.960 18.030 1.00 16.93 C ATOM 1322 CG TRP B 146 44.108 -22.091 17.249 1.00 16.14 C ATOM 1323 CD1 TRP B 146 43.702 -22.063 15.945 1.00 18.58 C ATOM 1324 CD2 TRP B 146 43.830 -23.412 17.730 1.00 16.78 C ATOM 1325 NE1 TRP B 146 43.192 -23.291 15.582 1.00 19.73 N ATOM 1326 CE2 TRP B 146 43.258 -24.135 16.662 1.00 19.79 C ATOM 1327 CE3 TRP B 146 44.009 -24.055 18.960 1.00 17.73 C ATOM 1328 CZ2 TRP B 146 42.864 -25.466 16.787 1.00 21.73 C ATOM 1329 CZ3 TRP B 146 43.620 -25.380 19.082 1.00 19.41 C ATOM 1330 CH2 TRP B 146 43.055 -26.070 18.002 1.00 17.85 C ATOM 1331 HE1 TRP B 146 42.818 -23.538 14.643 1.00 0.00 H ATOM 1332 H TRP B 146 42.456 -19.535 17.660 1.00 0.00 H ATOM 1333 N ASN B 147 44.427 -19.148 21.098 1.00 18.39 N ATOM 1334 CA ASN B 147 45.098 -18.084 21.833 1.00 18.17 C ATOM 1335 C ASN B 147 46.586 -18.377 21.943 1.00 19.75 C ATOM 1336 O ASN B 147 47.000 -19.228 22.729 1.00 18.63 O ATOM 1337 CB ASN B 147 44.490 -17.911 23.227 1.00 19.67 C ATOM 1338 CG ASN B 147 43.149 -17.202 23.196 1.00 24.24 C ATOM 1339 OD1 ASN B 147 42.749 -16.653 22.170 1.00 21.93 O ATOM 1340 ND2 ASN B 147 42.454 -17.198 24.327 1.00 23.40 N ATOM 1341 HD22 ASN B 147 42.831 -17.675 25.171 1.00 0.00 H ATOM 1342 HD21 ASN B 147 41.533 -16.718 24.369 1.00 0.00 H ATOM 1343 H ASN B 147 43.943 -19.904 21.624 1.00 0.00 H ATOM 1344 N ILE B 148 47.386 -17.676 21.147 1.00 19.26 N ATOM 1345 CA ILE B 148 48.824 -17.906 21.126 1.00 17.63 C ATOM 1346 C ILE B 148 49.478 -17.169 22.285 1.00 20.29 C ATOM 1347 O ILE B 148 49.367 -15.948 22.403 1.00 20.70 O ATOM 1348 CB ILE B 148 49.457 -17.450 19.803 1.00 16.36 C ATOM 1349 CG1 ILE B 148 48.585 -17.869 18.615 1.00 18.34 C ATOM 1350 CG2 ILE B 148 50.872 -17.999 19.676 1.00 19.57 C ATOM 1351 CD1 ILE B 148 48.413 -19.374 18.466 1.00 18.99 C ATOM 1352 H ILE B 148 46.977 -16.948 20.526 1.00 0.00 H ATOM 1353 N ILE B 149 50.161 -17.919 23.140 1.00 18.38 N ATOM 1354 CA ILE B 149 50.692 -17.362 24.374 1.00 16.88 C ATOM 1355 C ILE B 149 52.190 -17.624 24.481 1.00 19.00 C ATOM 1356 O ILE B 149 52.653 -18.737 24.238 1.00 20.88 O ATOM 1357 CB ILE B 149 49.955 -17.942 25.599 1.00 22.16 C ATOM 1358 CG1 ILE B 149 48.468 -17.567 25.529 1.00 25.48 C ATOM 1359 CG2 ILE B 149 50.580 -17.441 26.891 1.00 22.91 C ATOM 1360 CD1 ILE B 149 47.609 -18.204 26.579 1.00 28.73 C ATOM 1361 H ILE B 149 50.320 -18.924 22.924 1.00 0.00 H ATOM 1362 N SER B 150 52.946 -16.585 24.820 1.00 19.36 N ATOM 1363 CA SER B 150 54.394 -16.709 24.950 1.00 20.31 C ATOM 1364 C SER B 150 54.774 -17.333 26.283 1.00 20.64 C ATOM 1365 O SER B 150 54.347 -16.867 27.339 1.00 20.74 O ATOM 1366 CB SER B 150 55.069 -15.345 24.806 1.00 22.14 C ATOM 1367 OG SER B 150 56.477 -15.458 24.960 1.00 21.75 O ATOM 1368 HG SER B 150 56.681 -15.822 25.858 1.00 0.00 H ATOM 1369 H SER B 150 52.496 -15.664 24.996 1.00 0.00 H ATOM 1370 N ASN B 151 55.578 -18.388 26.230 1.00 20.72 N ATOM 1371 CA ASN B 151 56.105 -19.003 27.439 1.00 20.55 C ATOM 1372 C ASN B 151 57.060 -18.068 28.157 1.00 23.25 C ATOM 1373 O ASN B 151 57.166 -18.093 29.382 1.00 25.41 O ATOM 1374 CB ASN B 151 56.828 -20.315 27.118 1.00 19.37 C ATOM 1375 CG ASN B 151 55.876 -21.457 26.838 1.00 21.87 C ATOM 1376 OD1 ASN B 151 54.793 -21.530 27.412 1.00 22.97 O ATOM 1377 ND2 ASN B 151 56.283 -22.364 25.959 1.00 21.45 N ATOM 1378 HD22 ASN B 151 57.209 -22.261 25.497 1.00 0.00 H ATOM 1379 HD21 ASN B 151 55.676 -23.177 25.732 1.00 0.00 H ATOM 1380 H ASN B 151 55.837 -18.784 25.304 1.00 0.00 H ATOM 1381 N ASN B 152 57.753 -17.238 27.385 1.00 21.23 N ATOM 1382 CA ASN B 152 58.875 -16.479 27.919 1.00 20.46 C ATOM 1383 C ASN B 152 58.802 -14.989 27.627 1.00 23.09 C ATOM 1384 O ASN B 152 58.059 -14.547 26.750 1.00 20.30 O ATOM 1385 CB ASN B 152 60.184 -17.039 27.364 1.00 25.49 C ATOM 1386 CG ASN B 152 60.277 -16.905 25.855 1.00 27.00 C ATOM 1387 OD1 ASN B 152 59.679 -17.684 25.113 1.00 27.61 O ATOM 1388 ND2 ASN B 152 61.030 -15.913 25.394 1.00 24.35 N ATOM 1389 HD22 ASN B 152 61.518 -15.278 26.058 1.00 0.00 H ATOM 1390 HD21 ASN B 152 61.132 -15.771 24.369 1.00 0.00 H ATOM 1391 H ASN B 152 57.490 -17.129 26.385 1.00 0.00 H ATOM 1392 N SER B 153 59.586 -14.221 28.375 1.00 20.89 N ATOM 1393 CA SER B 153 59.721 -12.796 28.125 1.00 20.55 C ATOM 1394 C SER B 153 60.687 -12.567 26.969 1.00 23.39 C ATOM 1395 O SER B 153 61.630 -13.336 26.769 1.00 22.31 O ATOM 1396 CB SER B 153 60.204 -12.065 29.382 1.00 22.51 C ATOM 1397 OG SER B 153 59.284 -12.216 30.451 1.00 20.66 O ATOM 1398 HG SER B 153 59.623 -11.734 31.247 1.00 0.00 H ATOM 1399 H SER B 153 60.117 -14.650 29.160 1.00 0.00 H ATOM 1400 N VAL B 154 60.438 -11.509 26.208 1.00 22.40 N ATOM 1401 CA VAL B 154 61.294 -11.132 25.092 1.00 22.33 C ATOM 1402 C VAL B 154 61.723 -9.681 25.260 1.00 21.56 C ATOM 1403 O VAL B 154 60.889 -8.815 25.528 1.00 24.55 O ATOM 1404 CB VAL B 154 60.578 -11.294 23.731 1.00 21.24 C ATOM 1405 CG1 VAL B 154 61.512 -10.915 22.593 1.00 21.06 C ATOM 1406 CG2 VAL B 154 60.056 -12.716 23.554 1.00 21.30 C ATOM 1407 H VAL B 154 59.601 -10.928 26.416 1.00 0.00 H ATOM 1408 N VAL B 155 63.017 -9.411 25.112 1.00 21.59 N ATOM 1409 CA VAL B 155 63.517 -8.046 25.254 1.00 23.33 C ATOM 1410 C VAL B 155 64.359 -7.585 24.072 1.00 25.81 C ATOM 1411 O VAL B 155 64.834 -8.390 23.272 1.00 24.89 O ATOM 1412 CB VAL B 155 64.374 -7.881 26.529 1.00 25.16 C ATOM 1413 CG1 VAL B 155 63.602 -8.312 27.749 1.00 26.58 C ATOM 1414 CG2 VAL B 155 65.664 -8.679 26.412 1.00 21.98 C ATOM 1415 H VAL B 155 63.681 -10.181 24.893 1.00 0.00 H ATOM 1416 N MET B 156 64.527 -6.271 23.971 1.00 29.64 N ATOM 1417 CA MET B 156 65.517 -5.683 23.080 1.00 36.51 C ATOM 1418 C MET B 156 66.688 -5.190 23.921 1.00 40.78 C ATOM 1419 O MET B 156 66.494 -4.754 25.056 1.00 42.57 O ATOM 1420 CB MET B 156 64.921 -4.531 22.269 1.00 43.50 C ATOM 1421 CG MET B 156 63.996 -4.959 21.142 1.00 37.13 C ATOM 1422 SD MET B 156 63.353 -3.549 20.218 1.00 46.35 S ATOM 1423 CE MET B 156 62.383 -2.721 21.477 1.00 39.13 C ATOM 1424 H MET B 156 63.932 -5.642 24.547 1.00 0.00 H ATOM 1425 N PRO B 157 67.912 -5.270 23.380 1.00 44.31 N ATOM 1426 CA PRO B 157 69.050 -4.701 24.109 1.00 46.27 C ATOM 1427 C PRO B 157 68.896 -3.192 24.268 1.00 51.01 C ATOM 1428 O PRO B 157 68.536 -2.508 23.309 1.00 50.70 O ATOM 1429 CB PRO B 157 70.252 -5.047 23.220 1.00 49.51 C ATOM 1430 CG PRO B 157 69.785 -6.177 22.353 1.00 46.35 C ATOM 1431 CD PRO B 157 68.327 -5.922 22.128 1.00 42.23 C TER 1432 PRO B 157 HETATM 1433 O HOH 1 42.530 -13.835 25.776 1.00 41.76 O HETATM 1434 O HOH 2 33.419 -33.129 18.806 1.00 49.92 O HETATM 1435 O HOH 3 54.256 -21.453 29.624 1.00 31.34 O HETATM 1436 O HOH 4 28.659 -28.101 14.817 1.00 39.78 O HETATM 1437 O HOH 5 28.253 -30.136 16.110 1.00 39.05 O HETATM 1438 O HOH 6 67.523 -9.511 16.762 1.00 43.09 O HETATM 1439 O HOH 7 43.801 -39.782 14.006 1.00 39.60 O HETATM 1440 O HOH 8 43.560 -16.507 -0.133 1.00 16.82 O HETATM 1441 O HOH 9 30.506 -27.805 3.045 1.00 40.22 O HETATM 1442 O HOH 10 57.024 -21.058 5.136 1.00 40.44 O HETATM 1443 O HOH 11 56.866 -9.335 10.352 1.00 35.05 O HETATM 1444 O HOH 12 43.796 -18.671 26.641 1.00 30.38 O HETATM 1445 O HOH 13 40.483 -26.502 24.462 1.00 28.58 O HETATM 1446 O HOH 14 51.595 -28.634 7.730 1.00 31.94 O HETATM 1447 O HOH 15 44.341 -5.212 15.803 1.00 26.29 O HETATM 1448 O HOH 16 60.177 3.317 26.379 1.00 47.03 O HETATM 1449 O HOH 17 43.645 -28.575 0.827 1.00 32.31 O HETATM 1450 O HOH 18 34.473 -36.127 1.213 1.00 41.83 O HETATM 1451 O HOH 19 28.670 -21.758 9.925 1.00 17.03 O HETATM 1452 O HOH 20 37.411 -26.720 23.742 1.00 34.01 O HETATM 1453 O HOH 21 35.322 -30.155 15.091 1.00 22.45 O HETATM 1454 O HOH 22 53.750 -16.779 0.359 1.00 31.04 O HETATM 1455 O HOH 23 53.765 -0.866 21.302 1.00 40.57 O HETATM 1456 O HOH 24 56.522 -18.569 5.217 1.00 36.42 O HETATM 1457 O HOH 25 44.480 -35.270 8.364 1.00 31.07 O HETATM 1458 O HOH 26 49.320 -31.650 18.258 1.00 28.50 O HETATM 1459 O HOH 27 49.728 -5.309 12.259 1.00 28.17 O HETATM 1460 O HOH 28 33.397 -31.470 13.953 1.00 28.51 O HETATM 1461 O HOH 29 50.563 -34.115 14.030 1.00 23.10 O HETATM 1462 O HOH 30 35.379 -19.881 22.034 1.00 30.75 O HETATM 1463 O HOH 31 58.489 -20.931 16.123 1.00 31.53 O HETATM 1464 O HOH 32 44.947 -7.769 3.936 1.00 19.59 O HETATM 1465 O HOH 33 46.540 -26.122 25.405 1.00 30.17 O HETATM 1466 O HOH 34 29.370 -33.554 8.438 1.00 32.75 O HETATM 1467 O HOH 35 48.692 -29.847 25.361 1.00 32.12 O HETATM 1468 O HOH 36 50.070 -26.753 3.233 1.00 30.44 O HETATM 1469 O HOH 37 52.173 -11.767 31.492 1.00 24.50 O HETATM 1470 O HOH 38 36.036 -19.401 17.810 1.00 26.72 O HETATM 1471 O HOH 39 36.404 -23.885 5.471 1.00 23.25 O HETATM 1472 O HOH 40 61.438 -15.284 30.069 1.00 24.84 O HETATM 1473 O HOH 41 38.049 -18.801 2.011 1.00 26.15 O HETATM 1474 O HOH 42 46.266 -6.110 8.199 1.00 20.54 O HETATM 1475 O HOH 43 40.664 -7.453 2.535 1.00 26.47 O HETATM 1476 O HOH 44 37.659 -14.003 13.456 1.00 20.22 O HETATM 1477 O HOH 45 45.181 -30.656 23.007 1.00 29.75 O HETATM 1478 O HOH 46 40.661 -24.407 19.966 1.00 21.61 O HETATM 1479 O HOH 47 47.377 -12.318 1.053 1.00 25.70 O HETATM 1480 O HOH 48 56.791 -22.971 17.838 1.00 46.08 O HETATM 1481 O HOH 49 41.989 -7.304 10.612 1.00 17.77 O HETATM 1482 O HOH 50 61.308 -4.774 15.470 1.00 44.01 O HETATM 1483 O HOH 51 40.337 -15.300 22.302 1.00 34.84 O HETATM 1484 O HOH 52 55.401 -19.295 31.148 1.00 39.65 O HETATM 1485 O HOH 53 57.489 -22.965 20.504 1.00 26.39 O HETATM 1486 O HOH 54 44.916 -9.944 5.673 1.00 18.40 O HETATM 1487 O HOH 55 52.200 -25.044 3.654 1.00 31.42 O HETATM 1488 O HOH 56 51.721 -30.162 15.571 1.00 21.68 O HETATM 1489 O HOH 57 64.040 -13.688 15.866 1.00 35.27 O HETATM 1490 O HOH 58 34.814 -8.492 4.139 1.00 32.16 O HETATM 1491 O HOH 59 48.035 -4.876 14.340 1.00 21.32 O HETATM 1492 O HOH 60 43.472 -7.800 23.396 1.00 40.70 O HETATM 1493 O HOH 61 40.414 -21.661 -0.926 1.00 31.25 O HETATM 1494 O HOH 62 38.809 -9.140 2.559 1.00 37.68 O HETATM 1495 O HOH 63 43.923 -34.788 5.566 1.00 38.58 O HETATM 1496 O HOH 64 50.968 -5.817 9.454 1.00 32.72 O HETATM 1497 O HOH 65 62.609 -18.918 24.489 1.00 31.34 O HETATM 1498 O HOH 66 43.596 -23.916 26.824 1.00 27.73 O HETATM 1499 O HOH 67 36.974 -12.914 3.371 1.00 25.24 O HETATM 1500 O HOH 68 40.870 -16.177 0.688 1.00 26.72 O HETATM 1501 O HOH 69 28.634 -23.573 14.373 1.00 21.50 O HETATM 1502 O HOH 70 46.507 -22.500 -1.153 1.00 26.15 O HETATM 1503 O HOH 71 55.621 -16.016 4.473 1.00 37.07 O HETATM 1504 O HOH 72 41.266 -36.981 23.542 1.00 32.56 O HETATM 1505 O HOH 73 41.212 -7.523 13.312 1.00 15.36 O HETATM 1506 O HOH 74 49.830 -19.599 -3.430 1.00 26.94 O HETATM 1507 O HOH 75 44.946 -26.464 -0.511 1.00 36.38 O HETATM 1508 O HOH 76 38.542 -6.197 4.538 1.00 30.34 O HETATM 1509 O HOH 77 41.406 -11.366 16.808 1.00 31.83 O HETATM 1510 O HOH 78 29.917 -22.464 16.419 1.00 26.86 O HETATM 1511 O HOH 79 47.744 -24.908 -1.891 1.00 37.65 O HETATM 1512 O HOH 80 31.684 -24.091 17.386 1.00 22.32 O HETATM 1513 O HOH 81 69.722 -10.979 19.404 1.00 46.97 O HETATM 1514 O HOH 82 36.018 -22.311 24.796 1.00 30.32 O HETATM 1515 O HOH 83 45.030 -8.945 25.803 1.00 39.67 O HETATM 1516 O HOH 84 51.460 -15.706 -0.864 1.00 27.46 O HETATM 1517 O HOH 85 60.762 -16.608 17.966 1.00 27.78 O HETATM 1518 O HOH 86 46.399 -6.801 15.198 1.00 21.93 O HETATM 1519 O HOH 87 45.850 -24.257 28.668 1.00 35.72 O HETATM 1520 O HOH 88 37.752 -16.410 22.550 1.00 44.86 O HETATM 1521 O HOH 89 40.558 -22.224 27.270 1.00 41.22 O HETATM 1522 O HOH 90 62.117 -15.889 15.746 1.00 31.37 O HETATM 1523 O HOH 91 37.419 -36.314 19.275 1.00 42.56 O HETATM 1524 O HOH 92 55.150 -25.187 26.131 1.00 36.42 O HETATM 1525 O HOH 93 38.482 -15.320 17.885 1.00 34.36 O HETATM 1526 O HOH 94 56.306 -13.223 5.603 1.00 37.71 O HETATM 1527 O HOH 95 29.825 -37.137 10.752 1.00 54.89 O HETATM 1528 O HOH 96 25.411 -25.179 8.553 1.00 33.00 O HETATM 1529 O HOH 97 43.999 -23.579 -0.969 1.00 29.28 O HETATM 1530 O HOH 98 48.180 -36.791 17.955 1.00 31.53 O HETATM 1531 O HOH 99 39.997 -15.484 25.387 1.00 36.72 O HETATM 1532 O HOH 100 35.416 -20.987 19.487 1.00 28.39 O HETATM 1533 O HOH 101 60.330 -19.327 8.248 1.00 44.66 O HETATM 1534 O HOH 102 51.363 -4.477 32.892 1.00 48.02 O HETATM 1535 O HOH 103 32.992 -22.330 19.498 1.00 25.48 O HETATM 1536 O HOH 104 53.367 -23.942 29.165 1.00 41.34 O HETATM 1537 O HOH 105 52.365 -4.024 30.309 1.00 49.39 O HETATM 1538 O HOH 106 33.946 -17.700 16.813 1.00 28.19 O HETATM 1539 O HOH 107 40.039 -13.971 16.944 1.00 37.08 O HETATM 1540 O HOH 108 42.293 -8.022 19.664 1.00 45.21 O HETATM 1541 O HOH 109 38.513 -12.423 15.481 1.00 26.02 O HETATM 1542 O HOH 110 26.196 -25.595 4.629 1.00 35.19 O HETATM 1543 O HOH 111 36.610 -33.890 19.885 1.00 42.08 O HETATM 1544 O HOH 112 43.546 -7.542 25.581 1.00 43.95 O HETATM 1545 O HOH 113 63.599 -17.987 27.082 1.00 32.05 O HETATM 1546 O HOH 114 48.642 -5.028 8.180 1.00 27.94 O HETATM 1547 O HOH 115 58.223 -26.026 26.332 1.00 45.26 O HETATM 1548 O HOH 116 36.355 -7.933 2.759 1.00 31.97 O HETATM 1549 O HOH 117 30.441 -26.105 18.725 1.00 30.61 O HETATM 1550 O HOH 118 34.804 -23.160 3.496 1.00 23.61 O HETATM 1551 O HOH 119 50.388 -10.365 29.665 1.00 31.81 O HETATM 1552 O HOH 120 45.494 -3.260 13.846 1.00 30.64 O HETATM 1553 O HOH 121 53.323 -32.191 15.931 1.00 28.71 O HETATM 1554 O HOH 122 63.982 -20.193 23.073 1.00 36.34 O HETATM 1555 O HOH 123 36.775 -16.574 1.771 1.00 32.84 O HETATM 1556 O HOH 124 49.076 -27.127 25.951 1.00 33.45 O HETATM 1557 O HOH 125 48.913 -3.293 10.572 1.00 36.02 O HETATM 1558 O HOH 126 26.222 -24.275 14.735 1.00 29.73 O HETATM 1559 O HOH 127 46.017 -5.608 5.227 1.00 22.50 O HETATM 1560 O HOH 128 34.874 -24.403 1.114 1.00 32.34 O HETATM 1561 O HOH 129 45.020 -28.540 24.824 1.00 31.74 O HETATM 1562 O HOH 130 39.352 -13.748 19.678 1.00 36.21 O HETATM 1563 O HOH 131 41.838 -3.239 3.851 1.00 46.77 O HETATM 1564 O HOH 132 43.779 -24.729 -3.732 1.00 34.96 O HETATM 1565 O HOH 133 62.426 -19.882 29.013 1.00 32.83 O HETATM 1566 C1 MOL A 134 32.690 -35.819 12.169 1.00 0.21 C HETATM 1567 C2 MOL A 134 32.040 -34.478 11.990 1.00 0.14 C HETATM 1568 O2 MOL A 134 30.778 -34.692 12.486 1.00 -0.38 O HETATM 1569 H3 MOL A 134 30.837 -34.955 13.397 1.00 0.21 H HETATM 1570 C3 MOL A 134 31.904 -34.216 10.552 1.00 0.11 C HETATM 1571 O3 MOL A 134 31.223 -33.014 10.420 1.00 -0.39 O HETATM 1572 H5 MOL A 134 31.116 -32.811 9.498 1.00 0.21 H HETATM 1573 C4 MOL A 134 33.231 -34.233 9.879 1.00 0.11 C HETATM 1574 O4 MOL A 134 34.031 -33.275 10.461 1.00 -0.39 O HETATM 1575 H7 MOL A 134 34.882 -33.276 10.039 1.00 0.21 H HETATM 1576 C5 MOL A 134 33.875 -35.567 10.137 1.00 0.11 C HETATM 1577 C6 MOL A 134 35.273 -35.607 9.576 1.00 0.07 C HETATM 1578 O6 MOL A 134 36.248 -35.423 10.525 1.00 -0.39 O HETATM 1579 H11 MOL A 134 36.184 -36.108 11.180 1.00 0.21 H HETATM 1580 H9 MOL A 134 35.368 -34.813 8.820 1.00 0.06 H HETATM 1581 H10 MOL A 134 35.430 -36.587 9.101 1.00 0.06 H HETATM 1582 O5 MOL A 134 33.939 -35.810 11.525 1.00 -0.34 O HETATM 1583 H8 MOL A 134 33.272 -36.352 9.658 1.00 0.06 H HETATM 1584 H6 MOL A 134 33.122 -34.051 8.800 1.00 0.06 H HETATM 1585 H4 MOL A 134 31.293 -35.011 10.101 1.00 0.06 H HETATM 1586 H2 MOL A 134 32.577 -33.669 12.507 1.00 0.07 H HETATM 1587 O1' MOL A 134 32.640 -35.893 13.549 1.00 -0.28 O HETATM 1588 C1' MOL A 134 33.394 -36.730 14.353 1.00 0.14 C HETATM 1589 C2' MOL A 134 33.841 -36.213 15.564 1.00 0.23 C HETATM 1590 C3' MOL A 134 34.572 -36.984 16.400 1.00 -0.03 C HETATM 1591 C4' MOL A 134 34.811 -38.286 16.044 1.00 -0.06 C HETATM 1592 C5' MOL A 134 34.341 -38.797 14.866 1.00 -0.07 C HETATM 1593 C6' MOL A 134 33.612 -38.023 14.013 1.00 -0.02 C HETATM 1594 H15 MOL A 134 33.218 -38.431 13.089 1.00 0.06 H HETATM 1595 H14 MOL A 134 34.550 -39.829 14.608 1.00 0.06 H HETATM 1596 H13 MOL A 134 35.383 -38.923 16.709 1.00 0.05 H HETATM 1597 H12 MOL A 134 34.960 -36.582 17.329 1.00 0.07 H HETATM 1598 N1' MOL A 134 33.629 -34.867 15.919 1.00 0.31 N HETATM 1599 O2' MOL A 134 33.351 -33.930 14.999 1.00 0.17 O HETATM 1600 O3' MOL A 134 33.742 -34.480 17.040 1.00 0.17 O HETATM 1601 H1 MOL A 134 32.090 -36.630 11.731 1.00 0.10 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 28 27 355 CONECT 355 28 354 CONECT 1566 1567 1582 1587 1601 CONECT 1567 1566 1568 1570 1586 CONECT 1568 1567 1569 CONECT 1569 1568 CONECT 1570 1567 1571 1573 1585 CONECT 1571 1570 1572 CONECT 1572 1571 CONECT 1573 1570 1574 1576 1584 CONECT 1574 1573 1575 CONECT 1575 1574 CONECT 1576 1573 1577 1582 1583 CONECT 1577 1576 1578 1580 1581 CONECT 1578 1577 1579 CONECT 1579 1578 CONECT 1580 1577 CONECT 1581 1577 CONECT 1582 1566 1576 CONECT 1583 1576 CONECT 1584 1573 CONECT 1585 1570 CONECT 1586 1567 CONECT 1587 1566 1588 CONECT 1588 1587 1589 1593 CONECT 1589 1588 1590 1598 CONECT 1590 1589 1591 1597 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1595 CONECT 1593 1588 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1591 CONECT 1597 1590 CONECT 1598 1589 1599 1600 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1566 MASTER 0 0 0 0 0 0 0 0 1600 1 42 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6aoy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5lne
RCSB PDB
PDBbind
164aa, >5LNE_1|Chains... at 100%
6as8
RCSB PDB
PDBbind
166aa, >6AS8_1|Chains... at 100%
6aro
RCSB PDB
PDBbind
166aa, >6ARO_1|Chains... at 100%
6arn
RCSB PDB
PDBbind
166aa, >6ARN_1|Chains... at 100%
6aox
RCSB PDB
PDBbind
166aa, >6AOX_1|Chains... *
6arm
RCSB PDB
PDBbind
166aa, >6ARM_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6arm
RCSB PDB
PDBbind
145
Entry Information
PDB ID
6aoy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fml fimbrial adhesin FmlD
Ligand Name
145
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=10.6uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
1
2
H
1
5
NO
8
Molecular Weight
301.249
Exact Mass
301.080
No. of atoms
36
No. of bonds
37
Polar Surface Area
145.2
LOGP Value
-0.41 (
Computed with XLOGP3
)
-0.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@@H](Oc2ccccc2N(=O)=O)[C@@H]([C@H]([C@H]1O)O)O
InChI String
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/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):
Q1RBS0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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