Browse entries in the PDBbind-CN Database
HEADER 5VM0_COMPLEX COMPND 5VM0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 127 ALA GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL SEQRES 2 B 127 GLN THR GLY ASP SER LEU ARG LEU SER CYS ALA ALA SER SEQRES 3 B 127 GLY ARG THR TYR THR PRO TYR ALA MET ALA TRP PHE ARG SEQRES 4 B 127 GLN ALA PRO GLY LYS GLU ARG GLU PHE VAL ALA GLY ILE SEQRES 5 B 127 GLY GLY ILE ASP GLY THR ALA ALA TYR ALA ASP SER VAL SEQRES 6 B 127 ARG GLY ARG ALA THR ILE SER ARG ASP SER ALA LYS LYS SEQRES 7 B 127 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 B 127 THR ALA VAL TYR SER CYS ALA THR ARG ALA SER MET GLN SEQRES 9 B 127 VAL LEU THR SER PRO ARG VAL TYR PRO ILE TRP GLY ARG SEQRES 10 B 127 GLY THR GLN VAL THR VAL SER SER PRO GLY HET UNN A 234 28 ATOM 1 N ALA B 2 -9.378 29.569 16.549 1.00 34.68 N ATOM 2 CA ALA B 2 -8.815 28.421 15.792 1.00 32.26 C ATOM 3 C ALA B 2 -7.688 28.896 14.910 1.00 29.09 C ATOM 4 O ALA B 2 -7.528 30.093 14.681 1.00 29.15 O ATOM 5 CB ALA B 2 -9.898 27.739 14.962 1.00 29.88 C ATOM 6 HN3 ALA B 2 -9.739 30.280 15.881 1.00 0.00 H ATOM 7 HN2 ALA B 2 -8.633 29.992 17.139 1.00 0.00 H ATOM 8 HN1 ALA B 2 -10.154 29.236 17.155 1.00 0.00 H ATOM 9 N GLU B 3 -6.906 27.948 14.397 1.00 25.88 N ATOM 10 CA GLU B 3 -5.764 28.273 13.553 1.00 22.98 C ATOM 11 C GLU B 3 -6.141 28.610 12.110 1.00 19.72 C ATOM 12 O GLU B 3 -5.326 29.208 11.390 1.00 19.13 O ATOM 13 CB GLU B 3 -4.781 27.106 13.544 1.00 23.78 C ATOM 14 CG GLU B 3 -4.631 26.448 14.901 1.00 24.93 C ATOM 15 CD GLU B 3 -3.517 25.409 14.900 1.00 23.83 C ATOM 16 OE1 GLU B 3 -3.833 24.211 14.839 1.00 21.60 O ATOM 17 OE2 GLU B 3 -2.339 25.809 14.897 1.00 27.39 O ATOM 18 H GLU B 3 -7.116 26.951 14.604 1.00 0.00 H ATOM 19 N VAL B 4 -7.327 28.156 11.697 1.00 18.74 N ATOM 20 CA VAL B 4 -7.979 28.558 10.417 1.00 17.01 C ATOM 21 C VAL B 4 -9.350 29.183 10.667 1.00 16.77 C ATOM 22 O VAL B 4 -10.135 28.717 11.520 1.00 17.22 O ATOM 23 CB VAL B 4 -8.051 27.376 9.408 1.00 17.82 C ATOM 24 CG1 VAL B 4 -8.887 27.682 8.141 1.00 17.43 C ATOM 25 CG2 VAL B 4 -6.648 26.944 9.027 1.00 17.02 C ATOM 26 H VAL B 4 -7.828 27.479 12.307 1.00 0.00 H ATOM 27 N GLN B 5 -9.644 30.239 9.914 1.00 15.82 N ATOM 28 CA GLN B 5 -10.960 30.856 9.881 1.00 17.69 C ATOM 29 C GLN B 5 -11.551 30.677 8.473 1.00 16.25 C ATOM 30 O GLN B 5 -10.812 30.782 7.484 1.00 17.88 O ATOM 31 CB GLN B 5 -10.866 32.348 10.219 1.00 19.02 C ATOM 32 CG GLN B 5 -10.125 32.668 11.533 1.00 23.21 C ATOM 33 CD GLN B 5 -8.565 32.553 11.484 1.00 25.86 C ATOM 34 OE1 GLN B 5 -7.906 32.980 10.527 1.00 25.56 O ATOM 35 NE2 GLN B 5 -7.978 32.016 12.559 1.00 25.93 N ATOM 36 HE22 GLN B 5 -8.558 31.666 13.348 1.00 0.00 H ATOM 37 HE21 GLN B 5 -6.941 31.949 12.606 1.00 0.00 H ATOM 38 H GLN B 5 -8.894 30.644 9.318 1.00 0.00 H ATOM 39 N LEU B 6 -12.871 30.431 8.420 1.00 15.22 N ATOM 40 CA LEU B 6 -13.644 30.262 7.201 1.00 13.35 C ATOM 41 C LEU B 6 -14.717 31.318 7.113 1.00 13.91 C ATOM 42 O LEU B 6 -15.464 31.537 8.072 1.00 14.93 O ATOM 43 CB LEU B 6 -14.294 28.881 7.226 1.00 11.34 C ATOM 44 CG LEU B 6 -13.284 27.683 7.290 1.00 10.41 C ATOM 45 CD1 LEU B 6 -14.077 26.364 7.185 1.00 10.39 C ATOM 46 CD2 LEU B 6 -12.410 27.772 6.072 1.00 10.53 C ATOM 47 H LEU B 6 -13.380 30.356 9.324 1.00 0.00 H ATOM 48 N VAL B 7 -14.838 31.919 5.942 1.00 12.73 N ATOM 49 CA VAL B 7 -15.862 32.938 5.697 1.00 13.34 C ATOM 50 C VAL B 7 -16.518 32.670 4.361 1.00 13.56 C ATOM 51 O VAL B 7 -15.851 32.749 3.307 1.00 13.51 O ATOM 52 CB VAL B 7 -15.295 34.388 5.643 1.00 13.98 C ATOM 53 CG1 VAL B 7 -16.472 35.361 5.428 1.00 16.12 C ATOM 54 CG2 VAL B 7 -14.602 34.735 6.942 1.00 15.60 C ATOM 55 H VAL B 7 -14.188 31.661 5.172 1.00 0.00 H ATOM 56 N GLU B 8 -17.822 32.344 4.402 1.00 14.50 N ATOM 57 CA GLU B 8 -18.616 32.127 3.201 1.00 13.93 C ATOM 58 C GLU B 8 -19.241 33.392 2.611 1.00 14.31 C ATOM 59 O GLU B 8 -19.619 34.348 3.355 1.00 14.73 O ATOM 60 CB GLU B 8 -19.701 31.064 3.463 1.00 14.88 C ATOM 61 CG GLU B 8 -19.159 29.809 4.126 1.00 15.90 C ATOM 62 CD GLU B 8 -19.261 29.880 5.635 1.00 18.36 C ATOM 63 OE1 GLU B 8 -19.241 31.005 6.203 1.00 18.58 O ATOM 64 OE2 GLU B 8 -19.343 28.821 6.267 1.00 17.39 O ATOM 65 H GLU B 8 -18.282 32.243 5.329 1.00 0.00 H ATOM 66 N SER B 9 -19.343 33.401 1.291 1.00 14.07 N ATOM 67 CA SER B 9 -20.056 34.456 0.546 1.00 14.53 C ATOM 68 C SER B 9 -20.816 33.841 -0.639 1.00 14.75 C ATOM 69 O SER B 9 -20.642 32.652 -0.950 1.00 13.90 O ATOM 70 CB SER B 9 -19.074 35.483 -0.028 1.00 14.62 C ATOM 71 OG SER B 9 -18.339 36.162 0.960 1.00 14.75 O ATOM 72 HG SER B 9 -18.962 36.646 1.559 1.00 0.00 H ATOM 73 H SER B 9 -18.900 32.628 0.754 1.00 0.00 H ATOM 74 N GLY B 10 -21.601 34.674 -1.333 1.00 14.48 N ATOM 75 CA GLY B 10 -22.233 34.309 -2.609 1.00 16.45 C ATOM 76 C GLY B 10 -23.578 33.638 -2.558 1.00 16.66 C ATOM 77 O GLY B 10 -24.130 33.240 -3.610 1.00 18.07 O ATOM 78 H GLY B 10 -21.772 35.626 -0.951 1.00 0.00 H ATOM 79 N GLY B 11 -24.140 33.509 -1.352 1.00 18.19 N ATOM 80 CA GLY B 11 -25.521 33.206 -1.210 1.00 18.77 C ATOM 81 C GLY B 11 -26.405 34.302 -1.841 1.00 20.31 C ATOM 82 O GLY B 11 -25.935 35.399 -2.207 1.00 20.34 O ATOM 83 H GLY B 11 -23.555 33.633 -0.501 1.00 0.00 H ATOM 84 N GLY B 12 -27.664 33.961 -1.994 1.00 17.12 N ATOM 85 CA GLY B 12 -28.692 34.901 -2.471 1.00 17.17 C ATOM 86 C GLY B 12 -30.115 34.447 -2.414 1.00 17.42 C ATOM 87 O GLY B 12 -30.447 33.357 -1.894 1.00 15.81 O ATOM 88 H GLY B 12 -27.947 32.986 -1.769 1.00 0.00 H ATOM 89 N LEU B 13 -30.975 35.352 -2.898 1.00 14.88 N ATOM 90 CA LEU B 13 -32.369 35.177 -3.020 1.00 14.87 C ATOM 91 C LEU B 13 -32.634 35.030 -4.505 1.00 14.62 C ATOM 92 O LEU B 13 -32.524 35.996 -5.276 1.00 13.49 O ATOM 93 CB LEU B 13 -33.058 36.448 -2.492 1.00 14.58 C ATOM 94 CG LEU B 13 -33.308 36.505 -0.984 1.00 15.40 C ATOM 95 CD1 LEU B 13 -32.209 35.883 -0.137 1.00 15.62 C ATOM 96 CD2 LEU B 13 -33.548 37.965 -0.563 1.00 15.12 C ATOM 97 H LEU B 13 -30.581 36.262 -3.211 1.00 0.00 H ATOM 98 N VAL B 14 -33.024 33.820 -4.900 1.00 14.75 N ATOM 99 CA VAL B 14 -33.137 33.492 -6.306 1.00 13.94 C ATOM 100 C VAL B 14 -34.454 32.786 -6.625 1.00 15.53 C ATOM 101 O VAL B 14 -35.305 32.551 -5.754 1.00 15.83 O ATOM 102 CB VAL B 14 -31.933 32.634 -6.817 1.00 13.86 C ATOM 103 CG1 VAL B 14 -30.588 33.372 -6.581 1.00 14.09 C ATOM 104 CG2 VAL B 14 -31.964 31.252 -6.190 1.00 13.55 C ATOM 105 H VAL B 14 -33.251 33.098 -4.187 1.00 0.00 H ATOM 106 N GLN B 15 -34.612 32.484 -7.903 1.00 14.69 N ATOM 107 CA GLN B 15 -35.833 31.850 -8.375 1.00 15.36 C ATOM 108 C GLN B 15 -35.565 30.461 -8.906 1.00 15.38 C ATOM 109 O GLN B 15 -34.521 30.201 -9.417 1.00 15.25 O ATOM 110 CB GLN B 15 -36.430 32.674 -9.501 1.00 15.79 C ATOM 111 CG GLN B 15 -36.917 34.063 -9.060 1.00 17.25 C ATOM 112 CD GLN B 15 -37.338 34.889 -10.256 1.00 17.75 C ATOM 113 OE1 GLN B 15 -36.529 35.575 -10.931 1.00 17.99 O ATOM 114 NE2 GLN B 15 -38.603 34.846 -10.522 1.00 18.91 N ATOM 115 HE22 GLN B 15 -39.238 34.265 -9.938 1.00 0.00 H ATOM 116 HE21 GLN B 15 -38.985 35.392 -11.320 1.00 0.00 H ATOM 117 H GLN B 15 -33.853 32.703 -8.579 1.00 0.00 H ATOM 118 N THR B 16 -36.571 29.584 -8.822 1.00 16.40 N ATOM 119 CA THR B 16 -36.404 28.240 -9.302 1.00 17.18 C ATOM 120 C THR B 16 -35.736 28.276 -10.649 1.00 17.58 C ATOM 121 O THR B 16 -36.103 29.078 -11.509 1.00 18.21 O ATOM 122 CB THR B 16 -37.789 27.538 -9.404 1.00 18.11 C ATOM 123 OG1 THR B 16 -38.463 27.597 -8.137 1.00 18.43 O ATOM 124 CG2 THR B 16 -37.668 26.112 -9.868 1.00 18.03 C ATOM 125 HG1 THR B 16 -39.342 27.148 -8.211 1.00 0.00 H ATOM 126 H THR B 16 -37.479 29.876 -8.407 1.00 0.00 H ATOM 127 N GLY B 17 -34.728 27.413 -10.827 1.00 15.87 N ATOM 128 CA GLY B 17 -34.075 27.289 -12.085 1.00 17.03 C ATOM 129 C GLY B 17 -32.805 28.109 -12.137 1.00 16.80 C ATOM 130 O GLY B 17 -32.003 27.941 -13.057 1.00 18.28 O ATOM 131 H GLY B 17 -34.416 26.822 -10.030 1.00 0.00 H ATOM 132 N ASP B 18 -32.602 28.982 -11.155 1.00 15.70 N ATOM 133 CA ASP B 18 -31.411 29.865 -11.141 1.00 17.58 C ATOM 134 C ASP B 18 -30.093 29.152 -10.696 1.00 17.98 C ATOM 135 O ASP B 18 -30.114 28.044 -10.150 1.00 20.20 O ATOM 136 CB ASP B 18 -31.652 31.109 -10.241 1.00 17.35 C ATOM 137 CG ASP B 18 -32.598 32.154 -10.882 1.00 18.08 C ATOM 138 OD1 ASP B 18 -32.899 32.067 -12.108 1.00 17.38 O ATOM 139 OD2 ASP B 18 -33.054 33.086 -10.146 1.00 16.85 O ATOM 140 H ASP B 18 -33.293 29.047 -10.380 1.00 0.00 H ATOM 141 N SER B 19 -28.977 29.845 -10.870 1.00 18.26 N ATOM 142 CA SER B 19 -27.654 29.355 -10.481 1.00 18.57 C ATOM 143 C SER B 19 -27.109 30.303 -9.417 1.00 17.90 C ATOM 144 O SER B 19 -27.519 31.441 -9.358 1.00 16.82 O ATOM 145 CB SER B 19 -26.725 29.369 -11.694 1.00 19.82 C ATOM 146 OG SER B 19 -26.965 28.235 -12.535 1.00 23.39 O ATOM 147 HG SER B 19 -27.903 28.253 -12.852 1.00 0.00 H ATOM 148 H SER B 19 -29.045 30.787 -11.306 1.00 0.00 H ATOM 149 N LEU B 20 -26.225 29.798 -8.569 1.00 16.00 N ATOM 150 CA LEU B 20 -25.499 30.620 -7.587 1.00 16.68 C ATOM 151 C LEU B 20 -24.133 29.999 -7.403 1.00 17.44 C ATOM 152 O LEU B 20 -24.028 28.783 -7.414 1.00 17.01 O ATOM 153 CB LEU B 20 -26.187 30.554 -6.226 1.00 15.90 C ATOM 154 CG LEU B 20 -27.274 31.516 -5.837 1.00 15.98 C ATOM 155 CD1 LEU B 20 -27.589 31.211 -4.372 1.00 15.74 C ATOM 156 CD2 LEU B 20 -26.804 32.949 -6.067 1.00 17.70 C ATOM 157 H LEU B 20 -26.036 28.776 -8.598 1.00 0.00 H ATOM 158 N ARG B 21 -23.088 30.833 -7.246 1.00 16.84 N ATOM 159 CA ARG B 21 -21.758 30.352 -6.927 1.00 17.64 C ATOM 160 C ARG B 21 -21.395 30.784 -5.519 1.00 17.05 C ATOM 161 O ARG B 21 -20.961 31.918 -5.300 1.00 17.00 O ATOM 162 CB ARG B 21 -20.720 30.909 -7.928 1.00 18.96 C ATOM 163 CG ARG B 21 -19.287 30.374 -7.776 1.00 23.33 C ATOM 164 CD ARG B 21 -18.396 31.244 -8.661 1.00 26.53 C ATOM 165 NE ARG B 21 -17.093 30.667 -8.967 1.00 33.99 N ATOM 166 CZ ARG B 21 -16.878 29.569 -9.700 1.00 34.75 C ATOM 167 NH1 ARG B 21 -17.888 28.861 -10.214 1.00 37.54 N ATOM 168 NH2 ARG B 21 -15.629 29.162 -9.904 1.00 35.33 N ATOM 169 HE ARG B 21 -16.257 31.151 -8.582 1.00 0.00 H ATOM 170 HH12 ARG B 21 -17.692 28.011 -10.780 1.00 0.00 H ATOM 171 HH11 ARG B 21 -18.870 29.160 -10.048 1.00 0.00 H ATOM 172 HH22 ARG B 21 -15.446 28.310 -10.472 1.00 0.00 H ATOM 173 HH21 ARG B 21 -14.835 29.695 -9.496 1.00 0.00 H ATOM 174 H ARG B 21 -23.240 31.856 -7.357 1.00 0.00 H ATOM 175 N LEU B 22 -21.537 29.871 -4.573 1.00 15.67 N ATOM 176 CA LEU B 22 -21.006 30.094 -3.232 1.00 15.27 C ATOM 177 C LEU B 22 -19.458 30.040 -3.135 1.00 15.61 C ATOM 178 O LEU B 22 -18.789 29.308 -3.886 1.00 14.76 O ATOM 179 CB LEU B 22 -21.645 29.081 -2.285 1.00 15.31 C ATOM 180 CG LEU B 22 -23.116 28.750 -2.404 1.00 16.52 C ATOM 181 CD1 LEU B 22 -23.500 27.793 -1.283 1.00 18.84 C ATOM 182 CD2 LEU B 22 -24.012 29.988 -2.332 1.00 15.90 C ATOM 183 H LEU B 22 -22.033 28.983 -4.787 1.00 0.00 H ATOM 184 N SER B 23 -18.863 30.855 -2.254 1.00 15.33 N ATOM 185 CA SER B 23 -17.418 30.852 -2.047 1.00 16.21 C ATOM 186 C SER B 23 -17.120 30.725 -0.562 1.00 15.13 C ATOM 187 O SER B 23 -17.828 31.303 0.297 1.00 14.80 O ATOM 188 CB SER B 23 -16.733 32.137 -2.554 1.00 17.61 C ATOM 189 OG SER B 23 -16.875 32.309 -3.939 1.00 19.85 O ATOM 190 HG SER B 23 -17.837 32.365 -4.167 1.00 0.00 H ATOM 191 H SER B 23 -19.449 31.511 -1.700 1.00 0.00 H ATOM 192 N CYS B 24 -16.105 29.944 -0.264 1.00 14.84 N ATOM 193 CA CYS B 24 -15.531 29.829 1.087 1.00 16.60 C ATOM 194 C CYS B 24 -14.071 30.289 1.092 1.00 15.66 C ATOM 195 O CYS B 24 -13.177 29.555 0.535 1.00 14.84 O ATOM 196 CB CYS B 24 -15.585 28.374 1.555 1.00 18.34 C ATOM 197 SG CYS B 24 -14.749 28.081 3.142 1.00 23.39 S ATOM 198 H CYS B 24 -15.684 29.375 -1.026 1.00 0.00 H ATOM 199 N ALA B 25 -13.791 31.417 1.747 1.00 15.26 N ATOM 200 CA ALA B 25 -12.438 32.001 1.833 1.00 14.31 C ATOM 201 C ALA B 25 -11.764 31.600 3.157 1.00 14.22 C ATOM 202 O ALA B 25 -12.274 31.916 4.226 1.00 14.93 O ATOM 203 CB ALA B 25 -12.515 33.519 1.707 1.00 14.55 C ATOM 204 H ALA B 25 -14.570 31.913 2.224 1.00 0.00 H ATOM 205 N ALA B 26 -10.674 30.836 3.084 1.00 13.45 N ATOM 206 CA ALA B 26 -9.962 30.386 4.288 1.00 13.29 C ATOM 207 C ALA B 26 -8.817 31.335 4.593 1.00 14.34 C ATOM 208 O ALA B 26 -8.256 31.889 3.684 1.00 14.84 O ATOM 209 CB ALA B 26 -9.431 28.987 4.087 1.00 14.80 C ATOM 210 H ALA B 26 -10.318 30.551 2.149 1.00 0.00 H ATOM 211 N SER B 27 -8.467 31.511 5.856 1.00 14.71 N ATOM 212 CA SER B 27 -7.334 32.375 6.235 1.00 15.37 C ATOM 213 C SER B 27 -6.660 31.718 7.454 1.00 16.41 C ATOM 214 O SER B 27 -7.253 30.837 8.102 1.00 15.84 O ATOM 215 CB SER B 27 -7.792 33.815 6.498 1.00 17.17 C ATOM 216 OG SER B 27 -8.688 33.810 7.586 1.00 21.22 O ATOM 217 HG SER B 27 -8.231 33.449 8.387 1.00 0.00 H ATOM 218 H SER B 27 -9.006 31.027 6.602 1.00 0.00 H ATOM 219 N GLY B 28 -5.432 32.143 7.779 1.00 18.16 N ATOM 220 CA GLY B 28 -4.721 31.551 8.935 1.00 16.93 C ATOM 221 C GLY B 28 -3.795 30.474 8.421 1.00 16.06 C ATOM 222 O GLY B 28 -3.239 30.626 7.357 1.00 18.19 O ATOM 223 H GLY B 28 -4.977 32.891 7.218 1.00 0.00 H ATOM 224 N ARG B 29 -3.584 29.411 9.205 1.00 16.71 N ATOM 225 CA ARG B 29 -2.546 28.386 8.905 1.00 16.56 C ATOM 226 C ARG B 29 -3.155 27.301 7.963 1.00 16.50 C ATOM 227 O ARG B 29 -3.468 26.182 8.376 1.00 18.85 O ATOM 228 CB ARG B 29 -2.020 27.770 10.216 1.00 18.96 C ATOM 229 CG ARG B 29 -1.357 28.800 11.165 1.00 20.75 C ATOM 230 CD ARG B 29 -0.525 28.174 12.267 1.00 25.86 C ATOM 231 NE ARG B 29 0.273 27.054 11.757 1.00 27.75 N ATOM 232 CZ ARG B 29 0.982 26.228 12.524 1.00 29.85 C ATOM 233 NH1 ARG B 29 1.009 26.371 13.856 1.00 34.43 N ATOM 234 NH2 ARG B 29 1.662 25.254 11.963 1.00 24.60 N ATOM 235 HE ARG B 29 0.286 26.895 10.729 1.00 0.00 H ATOM 236 HH12 ARG B 29 1.569 25.716 14.438 1.00 0.00 H ATOM 237 HH11 ARG B 29 0.470 27.137 14.308 1.00 0.00 H ATOM 238 HH22 ARG B 29 2.219 24.603 12.552 1.00 0.00 H ATOM 239 HH21 ARG B 29 1.643 25.134 10.930 1.00 0.00 H ATOM 240 H ARG B 29 -4.168 29.296 10.058 1.00 0.00 H ATOM 241 N THR B 30 -3.359 27.689 6.709 1.00 14.67 N ATOM 242 CA THR B 30 -4.152 26.878 5.763 1.00 13.46 C ATOM 243 C THR B 30 -3.227 25.880 5.047 1.00 13.50 C ATOM 244 O THR B 30 -2.040 26.104 4.919 1.00 15.45 O ATOM 245 CB THR B 30 -4.825 27.774 4.701 1.00 13.10 C ATOM 246 OG1 THR B 30 -3.829 28.642 4.098 1.00 15.03 O ATOM 247 CG2 THR B 30 -5.886 28.652 5.339 1.00 13.37 C ATOM 248 HG1 THR B 30 -3.128 28.090 3.669 1.00 0.00 H ATOM 249 H THR B 30 -2.949 28.588 6.385 1.00 0.00 H ATOM 250 N TYR B 31 -3.817 24.795 4.564 1.00 13.01 N ATOM 251 CA TYR B 31 -3.155 23.796 3.750 1.00 12.60 C ATOM 252 C TYR B 31 -4.265 23.279 2.817 1.00 13.38 C ATOM 253 O TYR B 31 -5.226 22.589 3.226 1.00 13.93 O ATOM 254 CB TYR B 31 -2.548 22.704 4.620 1.00 13.05 C ATOM 255 CG TYR B 31 -1.891 21.621 3.805 1.00 14.59 C ATOM 256 CD1 TYR B 31 -0.809 21.913 2.974 1.00 15.64 C ATOM 257 CD2 TYR B 31 -2.391 20.329 3.816 1.00 15.18 C ATOM 258 CE1 TYR B 31 -0.200 20.923 2.203 1.00 17.82 C ATOM 259 CE2 TYR B 31 -1.798 19.319 3.050 1.00 17.69 C ATOM 260 CZ TYR B 31 -0.722 19.629 2.237 1.00 18.80 C ATOM 261 OH TYR B 31 -0.168 18.621 1.471 1.00 20.45 O ATOM 262 HH TYR B 31 0.160 17.900 2.064 1.00 0.00 H ATOM 263 H TYR B 31 -4.823 24.652 4.785 1.00 0.00 H ATOM 264 N THR B 32 -4.180 23.738 1.574 1.00 13.71 N ATOM 265 CA THR B 32 -5.293 23.654 0.657 1.00 12.82 C ATOM 266 C THR B 32 -5.708 22.224 0.259 1.00 12.61 C ATOM 267 O THR B 32 -6.773 22.065 -0.104 1.00 11.24 O ATOM 268 CB THR B 32 -5.116 24.551 -0.604 1.00 14.40 C ATOM 269 OG1 THR B 32 -4.019 24.080 -1.388 1.00 14.72 O ATOM 270 CG2 THR B 32 -4.944 26.035 -0.237 1.00 14.04 C ATOM 271 HG1 THR B 32 -3.914 24.656 -2.187 1.00 0.00 H ATOM 272 H THR B 32 -3.290 24.169 1.252 1.00 0.00 H ATOM 273 N PRO B 33 -4.814 21.183 0.328 1.00 12.32 N ATOM 274 CA PRO B 33 -5.342 19.823 0.043 1.00 11.39 C ATOM 275 C PRO B 33 -6.240 19.281 1.143 1.00 11.21 C ATOM 276 O PRO B 33 -6.898 18.244 0.950 1.00 11.50 O ATOM 277 CB PRO B 33 -4.036 18.944 -0.018 1.00 11.47 C ATOM 278 CG PRO B 33 -2.950 19.957 -0.443 1.00 11.78 C ATOM 279 CD PRO B 33 -3.348 21.245 0.267 1.00 12.96 C ATOM 280 N TYR B 34 -6.288 19.949 2.308 1.00 11.02 N ATOM 281 CA TYR B 34 -7.225 19.445 3.362 1.00 10.51 C ATOM 282 C TYR B 34 -8.733 19.544 2.998 1.00 10.49 C ATOM 283 O TYR B 34 -9.172 20.460 2.288 1.00 10.12 O ATOM 284 CB TYR B 34 -6.894 20.141 4.691 1.00 10.38 C ATOM 285 CG TYR B 34 -5.658 19.608 5.414 1.00 10.30 C ATOM 286 CD1 TYR B 34 -5.073 18.395 5.060 1.00 10.69 C ATOM 287 CD2 TYR B 34 -5.087 20.337 6.466 1.00 10.91 C ATOM 288 CE1 TYR B 34 -3.978 17.893 5.746 1.00 11.06 C ATOM 289 CE2 TYR B 34 -3.989 19.872 7.161 1.00 10.99 C ATOM 290 CZ TYR B 34 -3.423 18.674 6.799 1.00 11.38 C ATOM 291 OH TYR B 34 -2.332 18.241 7.485 1.00 14.00 O ATOM 292 HH TYR B 34 -2.036 17.371 7.117 1.00 0.00 H ATOM 293 H TYR B 34 -5.695 20.787 2.472 1.00 0.00 H ATOM 294 N ALA B 35 -9.548 18.600 3.487 1.00 10.06 N ATOM 295 CA ALA B 35 -10.901 18.467 3.130 1.00 9.64 C ATOM 296 C ALA B 35 -11.669 19.756 3.457 1.00 9.56 C ATOM 297 O ALA B 35 -11.536 20.335 4.576 1.00 10.17 O ATOM 298 CB ALA B 35 -11.546 17.308 3.923 1.00 9.07 C ATOM 299 H ALA B 35 -9.156 17.924 4.173 1.00 0.00 H ATOM 300 N MET B 36 -12.332 20.248 2.434 1.00 9.45 N ATOM 301 CA MET B 36 -13.316 21.355 2.568 1.00 10.96 C ATOM 302 C MET B 36 -14.696 20.864 2.181 1.00 11.72 C ATOM 303 O MET B 36 -14.900 20.359 1.076 1.00 12.61 O ATOM 304 CB MET B 36 -12.869 22.595 1.774 1.00 12.30 C ATOM 305 CG MET B 36 -11.889 23.384 2.633 1.00 16.25 C ATOM 306 SD MET B 36 -12.764 24.688 3.526 1.00 19.51 S ATOM 307 CE MET B 36 -11.993 25.992 2.595 1.00 17.60 C ATOM 308 H MET B 36 -12.161 19.846 1.490 1.00 0.00 H ATOM 309 N ALA B 37 -15.671 21.022 3.081 1.00 11.10 N ATOM 310 CA ALA B 37 -16.998 20.373 2.908 1.00 11.13 C ATOM 311 C ALA B 37 -18.083 21.416 3.098 1.00 11.00 C ATOM 312 O ALA B 37 -18.086 22.112 4.147 1.00 11.91 O ATOM 313 CB ALA B 37 -17.156 19.256 3.939 1.00 10.77 C ATOM 314 H ALA B 37 -15.498 21.611 3.920 1.00 0.00 H ATOM 315 N TRP B 38 -18.958 21.572 2.109 1.00 11.16 N ATOM 316 CA TRP B 38 -20.193 22.382 2.281 1.00 11.24 C ATOM 317 C TRP B 38 -21.303 21.542 2.919 1.00 11.74 C ATOM 318 O TRP B 38 -21.655 20.442 2.438 1.00 13.77 O ATOM 319 CB TRP B 38 -20.677 22.935 0.934 1.00 11.98 C ATOM 320 CG TRP B 38 -19.756 24.062 0.435 1.00 13.88 C ATOM 321 CD1 TRP B 38 -18.631 23.952 -0.349 1.00 14.38 C ATOM 322 CD2 TRP B 38 -19.926 25.446 0.723 1.00 14.21 C ATOM 323 NE1 TRP B 38 -18.070 25.212 -0.556 1.00 14.38 N ATOM 324 CE2 TRP B 38 -18.876 26.149 0.058 1.00 14.63 C ATOM 325 CE3 TRP B 38 -20.915 26.171 1.425 1.00 14.86 C ATOM 326 CZ2 TRP B 38 -18.746 27.536 0.145 1.00 14.45 C ATOM 327 CZ3 TRP B 38 -20.802 27.540 1.515 1.00 14.48 C ATOM 328 CH2 TRP B 38 -19.717 28.224 0.858 1.00 13.13 C ATOM 329 HE1 TRP B 38 -17.195 25.411 -1.082 1.00 0.00 H ATOM 330 H TRP B 38 -18.774 21.116 1.192 1.00 0.00 H ATOM 331 N PHE B 39 -21.934 22.121 3.940 1.00 11.55 N ATOM 332 CA PHE B 39 -23.142 21.550 4.559 1.00 12.12 C ATOM 333 C PHE B 39 -24.281 22.595 4.396 1.00 12.06 C ATOM 334 O PHE B 39 -24.006 23.783 4.175 1.00 11.84 O ATOM 335 CB PHE B 39 -22.945 21.237 6.054 1.00 12.18 C ATOM 336 CG PHE B 39 -21.969 20.119 6.304 1.00 12.56 C ATOM 337 CD1 PHE B 39 -20.607 20.360 6.258 1.00 12.01 C ATOM 338 CD2 PHE B 39 -22.436 18.839 6.611 1.00 12.49 C ATOM 339 CE1 PHE B 39 -19.700 19.330 6.463 1.00 12.14 C ATOM 340 CE2 PHE B 39 -21.514 17.806 6.831 1.00 11.59 C ATOM 341 CZ PHE B 39 -20.169 18.059 6.746 1.00 12.58 C ATOM 342 H PHE B 39 -21.557 23.015 4.316 1.00 0.00 H ATOM 343 N ARG B 40 -25.514 22.129 4.447 1.00 11.64 N ATOM 344 CA ARG B 40 -26.671 23.064 4.531 1.00 12.59 C ATOM 345 C ARG B 40 -27.600 22.709 5.675 1.00 14.26 C ATOM 346 O ARG B 40 -27.623 21.578 6.142 1.00 16.25 O ATOM 347 CB ARG B 40 -27.382 23.147 3.200 1.00 11.47 C ATOM 348 CG ARG B 40 -28.247 21.926 2.838 1.00 12.00 C ATOM 349 CD ARG B 40 -28.730 22.034 1.416 1.00 12.94 C ATOM 350 NE ARG B 40 -29.578 20.887 1.070 1.00 13.36 N ATOM 351 CZ ARG B 40 -30.114 20.723 -0.143 1.00 14.70 C ATOM 352 NH1 ARG B 40 -29.874 21.612 -1.100 1.00 15.72 N ATOM 353 NH2 ARG B 40 -30.896 19.669 -0.405 1.00 13.97 N ATOM 354 HE ARG B 40 -29.770 20.172 1.800 1.00 0.00 H ATOM 355 HH12 ARG B 40 -30.291 21.485 -2.044 1.00 0.00 H ATOM 356 HH11 ARG B 40 -29.269 22.435 -0.905 1.00 0.00 H ATOM 357 HH22 ARG B 40 -31.308 19.550 -1.352 1.00 0.00 H ATOM 358 HH21 ARG B 40 -31.091 18.969 0.339 1.00 0.00 H ATOM 359 H ARG B 40 -25.680 21.102 4.428 1.00 0.00 H ATOM 360 N GLN B 41 -28.359 23.691 6.152 1.00 15.54 N ATOM 361 CA GLN B 41 -29.182 23.484 7.324 1.00 16.68 C ATOM 362 C GLN B 41 -30.393 24.397 7.132 1.00 19.01 C ATOM 363 O GLN B 41 -30.226 25.600 7.096 1.00 17.03 O ATOM 364 CB GLN B 41 -28.437 23.871 8.620 1.00 17.34 C ATOM 365 CG GLN B 41 -29.252 23.561 9.881 1.00 20.18 C ATOM 366 CD GLN B 41 -28.473 23.742 11.179 1.00 22.97 C ATOM 367 OE1 GLN B 41 -27.443 24.430 11.236 1.00 25.17 O ATOM 368 NE2 GLN B 41 -28.951 23.089 12.235 1.00 23.82 N ATOM 369 HE22 GLN B 41 -29.818 22.522 12.147 1.00 0.00 H ATOM 370 HE21 GLN B 41 -28.457 23.146 13.149 1.00 0.00 H ATOM 371 H GLN B 41 -28.361 24.617 5.678 1.00 0.00 H ATOM 372 N ALA B 42 -31.572 23.790 6.987 1.00 18.82 N ATOM 373 CA ALA B 42 -32.866 24.500 6.966 1.00 21.66 C ATOM 374 C ALA B 42 -33.393 24.561 8.413 1.00 22.24 C ATOM 375 O ALA B 42 -32.970 23.758 9.239 1.00 19.16 O ATOM 376 CB ALA B 42 -33.848 23.740 6.083 1.00 23.95 C ATOM 377 H ALA B 42 -31.580 22.755 6.883 1.00 0.00 H ATOM 378 N PRO B 43 -34.314 25.502 8.742 1.00 23.38 N ATOM 379 CA PRO B 43 -34.590 25.684 10.187 1.00 24.97 C ATOM 380 C PRO B 43 -35.269 24.450 10.774 1.00 25.95 C ATOM 381 O PRO B 43 -36.096 23.831 10.101 1.00 26.77 O ATOM 382 CB PRO B 43 -35.577 26.869 10.223 1.00 27.44 C ATOM 383 CG PRO B 43 -35.495 27.495 8.855 1.00 25.61 C ATOM 384 CD PRO B 43 -35.204 26.345 7.927 1.00 26.98 C ATOM 385 N GLY B 44 -34.882 24.091 11.990 1.00 28.68 N ATOM 386 CA GLY B 44 -35.443 22.931 12.688 1.00 30.33 C ATOM 387 C GLY B 44 -34.677 21.660 12.345 1.00 32.20 C ATOM 388 O GLY B 44 -34.724 20.668 13.081 1.00 32.04 O ATOM 389 H GLY B 44 -34.151 24.655 12.468 1.00 0.00 H ATOM 390 N LYS B 45 -33.957 21.696 11.224 1.00 28.81 N ATOM 391 CA LYS B 45 -33.321 20.492 10.699 1.00 28.16 C ATOM 392 C LYS B 45 -31.854 20.367 11.011 1.00 26.53 C ATOM 393 O LYS B 45 -31.156 21.347 11.306 1.00 25.68 O ATOM 394 CB LYS B 45 -33.542 20.385 9.199 1.00 30.08 C ATOM 395 CG LYS B 45 -34.993 20.326 8.796 1.00 33.83 C ATOM 396 CD LYS B 45 -35.126 19.474 7.551 1.00 37.73 C ATOM 397 CE LYS B 45 -36.023 20.125 6.508 1.00 41.23 C ATOM 398 NZ LYS B 45 -35.161 20.795 5.489 1.00 44.33 N ATOM 399 HZ1 LYS B 45 -34.575 21.518 5.954 1.00 0.00 H ATOM 400 HZ2 LYS B 45 -34.547 20.088 5.037 1.00 0.00 H ATOM 401 HZ3 LYS B 45 -35.762 21.244 4.769 1.00 0.00 H ATOM 402 H LYS B 45 -33.847 22.596 10.715 1.00 0.00 H ATOM 403 N GLU B 46 -31.372 19.137 10.947 1.00 28.05 N ATOM 404 CA GLU B 46 -29.957 18.884 11.112 1.00 29.20 C ATOM 405 C GLU B 46 -29.172 19.393 9.901 1.00 27.32 C ATOM 406 O GLU B 46 -29.710 19.419 8.782 1.00 25.17 O ATOM 407 CB GLU B 46 -29.734 17.393 11.219 1.00 32.48 C ATOM 408 CG GLU B 46 -30.008 16.873 12.602 1.00 39.18 C ATOM 409 CD GLU B 46 -28.861 16.020 13.075 1.00 43.11 C ATOM 410 OE1 GLU B 46 -28.621 14.990 12.415 1.00 44.21 O ATOM 411 OE2 GLU B 46 -28.199 16.408 14.069 1.00 45.80 O ATOM 412 H GLU B 46 -32.019 18.341 10.776 1.00 0.00 H ATOM 413 N ARG B 47 -27.912 19.753 10.129 1.00 25.12 N ATOM 414 CA ARG B 47 -26.977 20.035 9.026 1.00 25.95 C ATOM 415 C ARG B 47 -26.771 18.770 8.210 1.00 24.47 C ATOM 416 O ARG B 47 -26.617 17.689 8.779 1.00 23.86 O ATOM 417 CB ARG B 47 -25.631 20.502 9.542 1.00 27.97 C ATOM 418 CG ARG B 47 -25.624 21.948 9.987 1.00 31.97 C ATOM 419 CD ARG B 47 -24.237 22.399 10.363 1.00 32.41 C ATOM 420 NE ARG B 47 -23.757 21.665 11.528 1.00 34.85 N ATOM 421 CZ ARG B 47 -22.784 22.102 12.324 1.00 39.79 C ATOM 422 NH1 ARG B 47 -22.218 23.286 12.083 1.00 38.89 N ATOM 423 NH2 ARG B 47 -22.386 21.363 13.364 1.00 38.64 N ATOM 424 HE ARG B 47 -24.199 20.750 11.749 1.00 0.00 H ATOM 425 HH12 ARG B 47 -21.457 23.634 12.701 1.00 0.00 H ATOM 426 HH11 ARG B 47 -22.538 23.861 11.277 1.00 0.00 H ATOM 427 HH22 ARG B 47 -21.626 21.706 13.985 1.00 0.00 H ATOM 428 HH21 ARG B 47 -22.837 20.445 13.552 1.00 0.00 H ATOM 429 H ARG B 47 -27.579 19.838 11.110 1.00 0.00 H ATOM 430 N GLU B 48 -26.782 18.912 6.891 1.00 21.14 N ATOM 431 CA GLU B 48 -26.498 17.779 6.005 1.00 20.38 C ATOM 432 C GLU B 48 -25.414 18.101 4.983 1.00 17.10 C ATOM 433 O GLU B 48 -25.338 19.189 4.468 1.00 14.81 O ATOM 434 CB GLU B 48 -27.765 17.306 5.287 1.00 21.39 C ATOM 435 CG GLU B 48 -28.459 18.361 4.415 1.00 22.77 C ATOM 436 CD GLU B 48 -29.785 17.863 3.845 1.00 27.29 C ATOM 437 OE1 GLU B 48 -30.569 17.242 4.607 1.00 27.18 O ATOM 438 OE2 GLU B 48 -30.064 18.103 2.644 1.00 25.42 O ATOM 439 H GLU B 48 -26.996 19.843 6.479 1.00 0.00 H ATOM 440 N PHE B 49 -24.543 17.127 4.705 1.00 14.67 N ATOM 441 CA PHE B 49 -23.556 17.285 3.660 1.00 14.30 C ATOM 442 C PHE B 49 -24.136 17.637 2.309 1.00 13.54 C ATOM 443 O PHE B 49 -25.116 17.036 1.868 1.00 13.25 O ATOM 444 CB PHE B 49 -22.715 15.997 3.587 1.00 13.52 C ATOM 445 CG PHE B 49 -21.613 16.000 2.554 1.00 16.12 C ATOM 446 CD1 PHE B 49 -20.316 16.434 2.897 1.00 15.17 C ATOM 447 CD2 PHE B 49 -21.821 15.484 1.259 1.00 16.44 C ATOM 448 CE1 PHE B 49 -19.283 16.404 1.956 1.00 16.53 C ATOM 449 CE2 PHE B 49 -20.765 15.444 0.321 1.00 15.65 C ATOM 450 CZ PHE B 49 -19.516 15.914 0.675 1.00 16.08 C ATOM 451 H PHE B 49 -24.575 16.241 5.249 1.00 0.00 H ATOM 452 N VAL B 50 -23.489 18.576 1.633 1.00 12.31 N ATOM 453 CA VAL B 50 -23.847 18.915 0.266 1.00 12.80 C ATOM 454 C VAL B 50 -22.750 18.519 -0.716 1.00 13.72 C ATOM 455 O VAL B 50 -23.008 17.831 -1.697 1.00 13.60 O ATOM 456 CB VAL B 50 -24.130 20.419 0.121 1.00 13.05 C ATOM 457 CG1 VAL B 50 -24.537 20.775 -1.313 1.00 12.64 C ATOM 458 CG2 VAL B 50 -25.217 20.812 1.115 1.00 13.35 C ATOM 459 H VAL B 50 -22.706 19.083 2.092 1.00 0.00 H ATOM 460 N ALA B 51 -21.536 19.028 -0.505 1.00 14.54 N ATOM 461 CA ALA B 51 -20.416 18.733 -1.407 1.00 16.14 C ATOM 462 C ALA B 51 -19.078 18.897 -0.701 1.00 15.57 C ATOM 463 O ALA B 51 -18.952 19.616 0.302 1.00 16.68 O ATOM 464 CB ALA B 51 -20.487 19.598 -2.688 1.00 16.01 C ATOM 465 H ALA B 51 -21.379 19.647 0.316 1.00 0.00 H ATOM 466 N GLY B 52 -18.073 18.182 -1.157 1.00 15.20 N ATOM 467 CA GLY B 52 -16.747 18.403 -0.612 1.00 14.75 C ATOM 468 C GLY B 52 -15.598 18.158 -1.563 1.00 14.87 C ATOM 469 O GLY B 52 -15.777 17.505 -2.592 1.00 14.80 O ATOM 470 H GLY B 52 -18.227 17.468 -1.898 1.00 0.00 H ATOM 471 N ILE B 53 -14.429 18.718 -1.222 1.00 13.82 N ATOM 472 CA ILE B 53 -13.196 18.628 -2.032 1.00 14.07 C ATOM 473 C ILE B 53 -11.979 18.421 -1.144 1.00 13.79 C ATOM 474 O ILE B 53 -11.767 19.123 -0.118 1.00 13.95 O ATOM 475 CB ILE B 53 -13.028 19.861 -2.976 1.00 14.90 C ATOM 476 CG1 ILE B 53 -11.845 19.676 -3.966 1.00 14.46 C ATOM 477 CG2 ILE B 53 -12.942 21.171 -2.178 1.00 14.65 C ATOM 478 CD1 ILE B 53 -12.000 20.612 -5.177 1.00 15.08 C ATOM 479 H ILE B 53 -14.387 19.250 -0.330 1.00 0.00 H ATOM 480 N GLY B 54 -11.139 17.480 -1.531 1.00 11.78 N ATOM 481 CA GLY B 54 -9.923 17.304 -0.803 1.00 11.84 C ATOM 482 C GLY B 54 -8.973 16.531 -1.658 1.00 11.99 C ATOM 483 O GLY B 54 -9.386 15.940 -2.707 1.00 12.05 O ATOM 484 H GLY B 54 -11.358 16.878 -2.350 1.00 0.00 H ATOM 485 N GLY B 55 -7.732 16.544 -1.210 1.00 13.31 N ATOM 486 CA GLY B 55 -6.693 15.706 -1.764 1.00 12.56 C ATOM 487 C GLY B 55 -5.949 16.387 -2.904 1.00 11.68 C ATOM 488 O GLY B 55 -6.291 17.465 -3.345 1.00 11.88 O ATOM 489 H GLY B 55 -7.492 17.184 -0.426 1.00 0.00 H ATOM 490 N ILE B 56 -4.944 15.704 -3.397 1.00 12.11 N ATOM 491 CA ILE B 56 -3.997 16.322 -4.340 1.00 12.91 C ATOM 492 C ILE B 56 -4.584 16.295 -5.767 1.00 12.80 C ATOM 493 O ILE B 56 -3.997 16.842 -6.676 1.00 12.62 O ATOM 494 CB ILE B 56 -2.586 15.624 -4.267 1.00 14.68 C ATOM 495 CG1 ILE B 56 -2.680 14.184 -4.773 1.00 16.36 C ATOM 496 CG2 ILE B 56 -1.955 15.757 -2.856 1.00 15.40 C ATOM 497 CD1 ILE B 56 -1.356 13.458 -4.809 1.00 17.99 C ATOM 498 H ILE B 56 -4.814 14.711 -3.118 1.00 0.00 H ATOM 499 N ASP B 57 -5.716 15.617 -5.984 1.00 12.49 N ATOM 500 CA ASP B 57 -6.379 15.652 -7.285 1.00 12.44 C ATOM 501 C ASP B 57 -7.551 16.598 -7.304 1.00 12.47 C ATOM 502 O ASP B 57 -8.250 16.724 -8.330 1.00 13.23 O ATOM 503 CB ASP B 57 -6.785 14.233 -7.683 1.00 11.63 C ATOM 504 CG ASP B 57 -5.562 13.376 -7.875 1.00 12.10 C ATOM 505 OD1 ASP B 57 -4.563 13.918 -8.440 1.00 12.58 O ATOM 506 OD2 ASP B 57 -5.523 12.262 -7.365 1.00 11.52 O ATOM 507 H ASP B 57 -6.131 15.055 -5.213 1.00 0.00 H ATOM 508 N GLY B 58 -7.798 17.275 -6.179 1.00 11.70 N ATOM 509 CA GLY B 58 -8.999 18.135 -6.165 1.00 11.80 C ATOM 510 C GLY B 58 -10.268 17.279 -6.372 1.00 13.37 C ATOM 511 O GLY B 58 -11.243 17.687 -7.030 1.00 12.26 O ATOM 512 H GLY B 58 -7.173 17.200 -5.351 1.00 0.00 H ATOM 513 N THR B 59 -10.226 16.097 -5.785 1.00 14.19 N ATOM 514 CA THR B 59 -11.352 15.132 -5.872 1.00 15.57 C ATOM 515 C THR B 59 -12.633 15.674 -5.237 1.00 15.39 C ATOM 516 O THR B 59 -12.646 16.032 -4.042 1.00 14.07 O ATOM 517 CB THR B 59 -10.970 13.857 -5.144 1.00 16.97 C ATOM 518 OG1 THR B 59 -9.764 13.390 -5.751 1.00 19.61 O ATOM 519 CG2 THR B 59 -12.057 12.769 -5.305 1.00 16.76 C ATOM 520 HG1 THR B 59 -9.474 12.554 -5.306 1.00 0.00 H ATOM 521 H THR B 59 -9.378 15.833 -5.245 1.00 0.00 H ATOM 522 N ALA B 60 -13.715 15.677 -6.019 1.00 15.46 N ATOM 523 CA ALA B 60 -14.988 16.231 -5.562 1.00 15.17 C ATOM 524 C ALA B 60 -15.934 15.098 -5.150 1.00 15.36 C ATOM 525 O ALA B 60 -15.979 14.049 -5.800 1.00 15.23 O ATOM 526 CB ALA B 60 -15.645 17.078 -6.664 1.00 14.91 C ATOM 527 H ALA B 60 -13.651 15.276 -6.976 1.00 0.00 H ATOM 528 N ALA B 61 -16.651 15.300 -4.055 1.00 13.54 N ATOM 529 CA ALA B 61 -17.787 14.404 -3.673 1.00 13.64 C ATOM 530 C ALA B 61 -19.110 15.201 -3.530 1.00 15.02 C ATOM 531 O ALA B 61 -19.079 16.299 -3.005 1.00 14.68 O ATOM 532 CB ALA B 61 -17.465 13.649 -2.399 1.00 14.20 C ATOM 533 H ALA B 61 -16.417 16.107 -3.441 1.00 0.00 H ATOM 534 N TYR B 62 -20.253 14.642 -3.999 1.00 14.73 N ATOM 535 CA TYR B 62 -21.569 15.338 -4.021 1.00 13.22 C ATOM 536 C TYR B 62 -22.653 14.499 -3.366 1.00 14.95 C ATOM 537 O TYR B 62 -22.690 13.278 -3.563 1.00 15.43 O ATOM 538 CB TYR B 62 -22.038 15.642 -5.468 1.00 12.62 C ATOM 539 CG TYR B 62 -21.063 16.474 -6.219 1.00 12.45 C ATOM 540 CD1 TYR B 62 -20.918 17.824 -5.929 1.00 12.00 C ATOM 541 CD2 TYR B 62 -20.206 15.881 -7.152 1.00 11.67 C ATOM 542 CE1 TYR B 62 -19.970 18.604 -6.583 1.00 11.87 C ATOM 543 CE2 TYR B 62 -19.270 16.639 -7.832 1.00 12.60 C ATOM 544 CZ TYR B 62 -19.132 17.988 -7.531 1.00 12.18 C ATOM 545 OH TYR B 62 -18.212 18.732 -8.229 1.00 11.56 O ATOM 546 HH TYR B 62 -18.230 19.667 -7.904 1.00 0.00 H ATOM 547 H TYR B 62 -20.208 13.670 -4.365 1.00 0.00 H ATOM 548 N ALA B 63 -23.521 15.145 -2.578 1.00 14.71 N ATOM 549 CA ALA B 63 -24.658 14.469 -1.955 1.00 15.80 C ATOM 550 C ALA B 63 -25.626 14.066 -3.051 1.00 14.47 C ATOM 551 O ALA B 63 -25.732 14.724 -4.070 1.00 15.37 O ATOM 552 CB ALA B 63 -25.360 15.397 -0.957 1.00 14.79 C ATOM 553 H ALA B 63 -23.382 16.161 -2.403 1.00 0.00 H ATOM 554 N ASP B 64 -26.393 13.010 -2.831 1.00 15.34 N ATOM 555 CA ASP B 64 -27.386 12.646 -3.834 1.00 15.98 C ATOM 556 C ASP B 64 -28.329 13.838 -4.133 1.00 18.42 C ATOM 557 O ASP B 64 -28.754 14.036 -5.267 1.00 20.92 O ATOM 558 CB ASP B 64 -28.215 11.456 -3.297 1.00 16.49 C ATOM 559 CG ASP B 64 -27.354 10.195 -3.105 1.00 18.69 C ATOM 560 OD1 ASP B 64 -26.638 9.873 -4.069 1.00 21.57 O ATOM 561 OD2 ASP B 64 -27.416 9.568 -2.038 1.00 19.49 O ATOM 562 H ASP B 64 -26.289 12.451 -1.960 1.00 0.00 H ATOM 563 N SER B 65 -28.604 14.642 -3.106 1.00 18.60 N ATOM 564 CA SER B 65 -29.501 15.791 -3.229 1.00 19.54 C ATOM 565 C SER B 65 -29.120 16.793 -4.316 1.00 19.34 C ATOM 566 O SER B 65 -29.978 17.564 -4.791 1.00 20.98 O ATOM 567 CB SER B 65 -29.587 16.500 -1.860 1.00 19.46 C ATOM 568 OG SER B 65 -28.337 17.105 -1.542 1.00 18.14 O ATOM 569 HG SER B 65 -28.404 17.556 -0.663 1.00 0.00 H ATOM 570 H SER B 65 -28.165 14.445 -2.184 1.00 0.00 H ATOM 571 N VAL B 66 -27.831 16.852 -4.663 1.00 19.52 N ATOM 572 CA VAL B 66 -27.356 17.835 -5.633 1.00 18.66 C ATOM 573 C VAL B 66 -26.741 17.146 -6.863 1.00 19.23 C ATOM 574 O VAL B 66 -26.098 17.783 -7.708 1.00 17.23 O ATOM 575 CB VAL B 66 -26.416 18.893 -4.978 1.00 18.58 C ATOM 576 CG1 VAL B 66 -27.185 19.669 -3.910 1.00 18.17 C ATOM 577 CG2 VAL B 66 -25.155 18.244 -4.422 1.00 17.79 C ATOM 578 H VAL B 66 -27.155 16.187 -4.235 1.00 0.00 H ATOM 579 N ARG B 67 -27.034 15.851 -6.969 1.00 23.60 N ATOM 580 CA ARG B 67 -26.608 15.005 -8.105 1.00 28.04 C ATOM 581 C ARG B 67 -26.893 15.713 -9.403 1.00 24.14 C ATOM 582 O ARG B 67 -28.059 16.043 -9.683 1.00 23.77 O ATOM 583 CB ARG B 67 -27.364 13.663 -8.088 1.00 32.23 C ATOM 584 CG ARG B 67 -26.976 12.740 -9.236 1.00 39.14 C ATOM 585 CD ARG B 67 -27.594 11.364 -9.084 1.00 41.79 C ATOM 586 NE ARG B 67 -27.161 10.695 -7.858 1.00 45.25 N ATOM 587 CZ ARG B 67 -26.793 9.415 -7.791 1.00 43.55 C ATOM 588 NH1 ARG B 67 -26.769 8.667 -8.887 1.00 41.19 N ATOM 589 NH2 ARG B 67 -26.414 8.890 -6.631 1.00 38.34 N ATOM 590 HE ARG B 67 -27.139 11.254 -6.981 1.00 0.00 H ATOM 591 HH12 ARG B 67 -26.481 7.669 -8.829 1.00 0.00 H ATOM 592 HH11 ARG B 67 -27.038 9.079 -9.803 1.00 0.00 H ATOM 593 HH22 ARG B 67 -26.127 7.892 -6.581 1.00 0.00 H ATOM 594 HH21 ARG B 67 -26.404 9.477 -5.773 1.00 0.00 H ATOM 595 H ARG B 67 -27.593 15.410 -6.211 1.00 0.00 H ATOM 596 N GLY B 68 -25.827 16.018 -10.146 1.00 24.56 N ATOM 597 CA GLY B 68 -25.947 16.618 -11.493 1.00 25.53 C ATOM 598 C GLY B 68 -26.226 18.112 -11.555 1.00 24.92 C ATOM 599 O GLY B 68 -26.405 18.664 -12.643 1.00 25.65 O ATOM 600 H GLY B 68 -24.878 15.827 -9.765 1.00 0.00 H ATOM 601 N ARG B 69 -26.242 18.780 -10.398 1.00 22.07 N ATOM 602 CA ARG B 69 -26.541 20.217 -10.343 1.00 19.97 C ATOM 603 C ARG B 69 -25.378 21.067 -9.758 1.00 19.23 C ATOM 604 O ARG B 69 -25.345 22.284 -9.924 1.00 20.04 O ATOM 605 CB ARG B 69 -27.815 20.461 -9.541 1.00 20.57 C ATOM 606 CG ARG B 69 -29.084 19.816 -10.140 1.00 19.79 C ATOM 607 CD ARG B 69 -30.328 20.304 -9.409 1.00 17.54 C ATOM 608 NE ARG B 69 -30.347 19.839 -8.021 1.00 17.41 N ATOM 609 CZ ARG B 69 -30.846 20.544 -7.004 1.00 16.95 C ATOM 610 NH1 ARG B 69 -31.328 21.755 -7.244 1.00 16.26 N ATOM 611 NH2 ARG B 69 -30.808 20.074 -5.761 1.00 15.41 N ATOM 612 HE ARG B 69 -29.947 18.901 -7.815 1.00 0.00 H ATOM 613 HH12 ARG B 69 -31.722 22.322 -6.466 1.00 0.00 H ATOM 614 HH11 ARG B 69 -31.313 22.139 -8.211 1.00 0.00 H ATOM 615 HH22 ARG B 69 -31.202 20.637 -4.980 1.00 0.00 H ATOM 616 HH21 ARG B 69 -30.385 19.144 -5.570 1.00 0.00 H ATOM 617 H ARG B 69 -26.038 18.270 -9.515 1.00 0.00 H ATOM 618 N ALA B 70 -24.443 20.403 -9.089 1.00 17.83 N ATOM 619 CA ALA B 70 -23.384 21.084 -8.332 1.00 17.72 C ATOM 620 C ALA B 70 -21.973 20.779 -8.842 1.00 19.42 C ATOM 621 O ALA B 70 -21.671 19.648 -9.267 1.00 18.47 O ATOM 622 CB ALA B 70 -23.491 20.712 -6.866 1.00 17.21 C ATOM 623 H ALA B 70 -24.461 19.363 -9.101 1.00 0.00 H ATOM 624 N THR B 71 -21.084 21.766 -8.740 1.00 18.07 N ATOM 625 CA THR B 71 -19.698 21.590 -9.073 1.00 18.46 C ATOM 626 C THR B 71 -18.920 22.298 -7.975 1.00 17.86 C ATOM 627 O THR B 71 -19.223 23.461 -7.683 1.00 16.58 O ATOM 628 CB THR B 71 -19.331 22.199 -10.449 1.00 18.85 C ATOM 629 OG1 THR B 71 -20.080 21.515 -11.469 1.00 19.75 O ATOM 630 CG2 THR B 71 -17.832 22.008 -10.724 1.00 19.31 C ATOM 631 HG1 THR B 71 -19.854 21.896 -12.354 1.00 0.00 H ATOM 632 H THR B 71 -21.405 22.698 -8.407 1.00 0.00 H ATOM 633 N ILE B 72 -17.996 21.564 -7.337 1.00 15.93 N ATOM 634 CA ILE B 72 -17.090 22.130 -6.322 1.00 15.90 C ATOM 635 C ILE B 72 -15.678 22.224 -6.877 1.00 15.99 C ATOM 636 O ILE B 72 -15.207 21.337 -7.639 1.00 17.55 O ATOM 637 CB ILE B 72 -17.132 21.312 -4.998 1.00 16.01 C ATOM 638 CG1 ILE B 72 -16.349 22.031 -3.869 1.00 13.84 C ATOM 639 CG2 ILE B 72 -16.539 19.923 -5.182 1.00 15.06 C ATOM 640 CD1 ILE B 72 -16.687 21.502 -2.482 1.00 14.60 C ATOM 641 H ILE B 72 -17.916 20.553 -7.568 1.00 0.00 H ATOM 642 N SER B 73 -14.939 23.250 -6.455 1.00 15.27 N ATOM 643 CA SER B 73 -13.599 23.451 -6.916 1.00 13.88 C ATOM 644 C SER B 73 -12.850 24.304 -5.915 1.00 13.12 C ATOM 645 O SER B 73 -13.465 24.904 -4.968 1.00 12.24 O ATOM 646 CB SER B 73 -13.549 24.155 -8.284 1.00 14.04 C ATOM 647 OG SER B 73 -14.132 25.460 -8.201 1.00 14.12 O ATOM 648 HG SER B 73 -15.076 25.381 -7.915 1.00 0.00 H ATOM 649 H SER B 73 -15.347 23.922 -5.773 1.00 0.00 H ATOM 650 N ARG B 74 -11.529 24.312 -6.093 1.00 12.52 N ATOM 651 CA ARG B 74 -10.707 25.174 -5.249 1.00 12.24 C ATOM 652 C ARG B 74 -9.645 25.912 -6.017 1.00 13.36 C ATOM 653 O ARG B 74 -9.111 25.450 -7.041 1.00 12.88 O ATOM 654 CB ARG B 74 -10.123 24.406 -4.057 1.00 12.61 C ATOM 655 CG ARG B 74 -8.993 23.514 -4.440 1.00 12.61 C ATOM 656 CD ARG B 74 -8.380 22.830 -3.225 1.00 12.40 C ATOM 657 NE ARG B 74 -7.276 22.016 -3.725 1.00 12.14 N ATOM 658 CZ ARG B 74 -7.073 20.718 -3.540 1.00 11.93 C ATOM 659 NH1 ARG B 74 -7.926 19.928 -2.826 1.00 12.03 N ATOM 660 NH2 ARG B 74 -6.007 20.195 -4.122 1.00 11.83 N ATOM 661 HE ARG B 74 -6.563 22.514 -4.295 1.00 0.00 H ATOM 662 HH12 ARG B 74 -7.722 18.915 -2.710 1.00 0.00 H ATOM 663 HH11 ARG B 74 -8.780 20.339 -2.398 1.00 0.00 H ATOM 664 HH22 ARG B 74 -5.798 19.182 -4.011 1.00 0.00 H ATOM 665 HH21 ARG B 74 -5.377 20.796 -4.691 1.00 0.00 H ATOM 666 H ARG B 74 -11.091 23.713 -6.822 1.00 0.00 H ATOM 667 N ASP B 75 -9.292 27.043 -5.455 1.00 13.22 N ATOM 668 CA ASP B 75 -8.197 27.855 -5.990 1.00 13.83 C ATOM 669 C ASP B 75 -7.227 28.053 -4.823 1.00 14.35 C ATOM 670 O ASP B 75 -7.488 28.799 -3.887 1.00 14.65 O ATOM 671 CB ASP B 75 -8.779 29.160 -6.553 1.00 15.96 C ATOM 672 CG ASP B 75 -7.715 30.073 -7.143 1.00 19.49 C ATOM 673 OD1 ASP B 75 -6.568 30.110 -6.657 1.00 17.85 O ATOM 674 OD2 ASP B 75 -8.061 30.800 -8.088 1.00 22.38 O ATOM 675 H ASP B 75 -9.801 27.371 -4.610 1.00 0.00 H ATOM 676 N SER B 76 -6.109 27.299 -4.845 1.00 13.05 N ATOM 677 CA SER B 76 -5.149 27.352 -3.753 1.00 14.27 C ATOM 678 C SER B 76 -4.486 28.720 -3.628 1.00 13.69 C ATOM 679 O SER B 76 -4.222 29.171 -2.525 1.00 13.90 O ATOM 680 CB SER B 76 -4.041 26.275 -3.894 1.00 14.22 C ATOM 681 OG SER B 76 -4.571 24.998 -3.627 1.00 16.86 O ATOM 682 HG SER B 76 -4.930 24.977 -2.705 1.00 0.00 H ATOM 683 H SER B 76 -5.931 26.671 -5.654 1.00 0.00 H ATOM 684 N ALA B 77 -4.294 29.430 -4.736 1.00 14.11 N ATOM 685 CA ALA B 77 -3.631 30.747 -4.622 1.00 14.97 C ATOM 686 C ALA B 77 -4.573 31.755 -3.926 1.00 16.25 C ATOM 687 O ALA B 77 -4.113 32.696 -3.262 1.00 19.48 O ATOM 688 CB ALA B 77 -3.202 31.269 -5.978 1.00 15.05 C ATOM 689 H ALA B 77 -4.603 29.068 -5.661 1.00 0.00 H ATOM 690 N LYS B 78 -5.872 31.537 -4.042 1.00 16.63 N ATOM 691 CA LYS B 78 -6.834 32.463 -3.398 1.00 16.40 C ATOM 692 C LYS B 78 -7.361 31.891 -2.074 1.00 16.14 C ATOM 693 O LYS B 78 -8.162 32.521 -1.403 1.00 16.64 O ATOM 694 CB LYS B 78 -7.971 32.775 -4.347 1.00 17.36 C ATOM 695 CG LYS B 78 -7.528 33.456 -5.634 1.00 19.50 C ATOM 696 CD LYS B 78 -8.759 33.951 -6.375 1.00 23.38 C ATOM 697 CE LYS B 78 -8.527 34.094 -7.864 1.00 26.47 C ATOM 698 NZ LYS B 78 -9.310 35.290 -8.274 1.00 30.74 N ATOM 699 HZ1 LYS B 78 -10.316 35.135 -8.059 1.00 0.00 H ATOM 700 HZ2 LYS B 78 -8.967 36.123 -7.754 1.00 0.00 H ATOM 701 HZ3 LYS B 78 -9.193 35.446 -9.296 1.00 0.00 H ATOM 702 H LYS B 78 -6.218 30.719 -4.583 1.00 0.00 H ATOM 703 N LYS B 79 -6.846 30.737 -1.680 1.00 16.04 N ATOM 704 CA LYS B 79 -7.370 29.980 -0.518 1.00 17.27 C ATOM 705 C LYS B 79 -8.901 29.922 -0.460 1.00 18.04 C ATOM 706 O LYS B 79 -9.520 30.084 0.626 1.00 16.83 O ATOM 707 CB LYS B 79 -6.792 30.557 0.772 1.00 19.06 C ATOM 708 CG LYS B 79 -5.269 30.575 0.835 1.00 20.16 C ATOM 709 CD LYS B 79 -4.859 31.478 1.987 1.00 22.34 C ATOM 710 CE LYS B 79 -3.365 31.458 2.201 1.00 25.57 C ATOM 711 NZ LYS B 79 -2.994 32.659 3.004 1.00 31.16 N ATOM 712 HZ1 LYS B 79 -3.271 33.519 2.488 1.00 0.00 H ATOM 713 HZ2 LYS B 79 -3.487 32.629 3.919 1.00 0.00 H ATOM 714 HZ3 LYS B 79 -1.966 32.664 3.163 1.00 0.00 H ATOM 715 H LYS B 79 -6.040 30.345 -2.208 1.00 0.00 H ATOM 716 N THR B 80 -9.514 29.697 -1.633 1.00 16.02 N ATOM 717 CA THR B 80 -10.933 29.738 -1.770 1.00 15.13 C ATOM 718 C THR B 80 -11.455 28.453 -2.417 1.00 15.04 C ATOM 719 O THR B 80 -10.855 27.943 -3.385 1.00 14.59 O ATOM 720 CB THR B 80 -11.410 31.014 -2.557 1.00 16.22 C ATOM 721 OG1 THR B 80 -10.982 32.193 -1.846 1.00 16.10 O ATOM 722 CG2 THR B 80 -12.906 31.055 -2.656 1.00 17.26 C ATOM 723 HG1 THR B 80 -11.280 32.999 -2.337 1.00 0.00 H ATOM 724 H THR B 80 -8.934 29.486 -2.470 1.00 0.00 H ATOM 725 N VAL B 81 -12.501 27.909 -1.798 1.00 13.21 N ATOM 726 CA VAL B 81 -13.336 26.805 -2.363 1.00 13.18 C ATOM 727 C VAL B 81 -14.642 27.374 -2.944 1.00 13.36 C ATOM 728 O VAL B 81 -15.336 28.180 -2.265 1.00 13.15 O ATOM 729 CB VAL B 81 -13.625 25.763 -1.265 1.00 12.83 C ATOM 730 CG1 VAL B 81 -14.695 24.754 -1.696 1.00 14.07 C ATOM 731 CG2 VAL B 81 -12.331 25.044 -0.844 1.00 13.81 C ATOM 732 H VAL B 81 -12.754 28.277 -0.859 1.00 0.00 H ATOM 733 N TYR B 82 -15.003 26.953 -4.174 1.00 13.44 N ATOM 734 CA TYR B 82 -16.239 27.376 -4.801 1.00 12.60 C ATOM 735 C TYR B 82 -17.229 26.203 -4.938 1.00 13.22 C ATOM 736 O TYR B 82 -16.814 25.058 -5.187 1.00 13.22 O ATOM 737 CB TYR B 82 -16.007 27.933 -6.185 1.00 12.39 C ATOM 738 CG TYR B 82 -14.978 29.034 -6.165 1.00 14.04 C ATOM 739 CD1 TYR B 82 -15.364 30.364 -5.921 1.00 15.32 C ATOM 740 CD2 TYR B 82 -13.615 28.740 -6.348 1.00 16.17 C ATOM 741 CE1 TYR B 82 -14.394 31.392 -5.886 1.00 16.34 C ATOM 742 CE2 TYR B 82 -12.647 29.754 -6.273 1.00 16.82 C ATOM 743 CZ TYR B 82 -13.060 31.066 -6.061 1.00 17.88 C ATOM 744 OH TYR B 82 -12.070 32.062 -6.006 1.00 20.16 O ATOM 745 HH TYR B 82 -12.497 32.942 -5.852 1.00 0.00 H ATOM 746 H TYR B 82 -14.374 26.304 -4.689 1.00 0.00 H ATOM 747 N LEU B 83 -18.486 26.531 -4.729 1.00 12.17 N ATOM 748 CA LEU B 83 -19.622 25.576 -4.958 1.00 12.64 C ATOM 749 C LEU B 83 -20.576 26.226 -5.920 1.00 13.59 C ATOM 750 O LEU B 83 -21.395 27.087 -5.539 1.00 12.48 O ATOM 751 CB LEU B 83 -20.309 25.203 -3.648 1.00 13.14 C ATOM 752 CG LEU B 83 -21.417 24.163 -3.805 1.00 13.14 C ATOM 753 CD1 LEU B 83 -20.860 22.897 -4.473 1.00 13.83 C ATOM 754 CD2 LEU B 83 -21.976 23.853 -2.440 1.00 14.95 C ATOM 755 H LEU B 83 -18.702 27.491 -4.391 1.00 0.00 H ATOM 756 N GLN B 84 -20.508 25.801 -7.183 1.00 15.16 N ATOM 757 CA GLN B 84 -21.486 26.223 -8.196 1.00 16.02 C ATOM 758 C GLN B 84 -22.741 25.345 -8.106 1.00 17.52 C ATOM 759 O GLN B 84 -22.637 24.130 -8.159 1.00 15.04 O ATOM 760 CB GLN B 84 -20.885 26.071 -9.595 1.00 18.26 C ATOM 761 CG GLN B 84 -21.820 26.487 -10.714 1.00 20.57 C ATOM 762 CD GLN B 84 -22.012 27.983 -10.785 1.00 21.66 C ATOM 763 OE1 GLN B 84 -21.074 28.759 -10.585 1.00 22.30 O ATOM 764 NE2 GLN B 84 -23.221 28.399 -11.112 1.00 26.30 N ATOM 765 HE22 GLN B 84 -23.983 27.709 -11.272 1.00 0.00 H ATOM 766 HE21 GLN B 84 -23.412 29.417 -11.210 1.00 0.00 H ATOM 767 H GLN B 84 -19.742 25.153 -7.458 1.00 0.00 H ATOM 768 N MET B 85 -23.912 25.969 -7.935 1.00 17.59 N ATOM 769 CA MET B 85 -25.193 25.242 -7.874 1.00 22.03 C ATOM 770 C MET B 85 -26.094 25.730 -8.983 1.00 22.50 C ATOM 771 O MET B 85 -26.375 26.924 -9.059 1.00 21.69 O ATOM 772 CB MET B 85 -25.851 25.460 -6.513 1.00 23.97 C ATOM 773 CG MET B 85 -25.102 24.754 -5.394 1.00 30.05 C ATOM 774 SD MET B 85 -25.934 24.931 -3.820 1.00 37.46 S ATOM 775 CE MET B 85 -26.115 26.706 -3.675 1.00 35.56 C ATOM 776 H MET B 85 -23.919 27.005 -7.842 1.00 0.00 H ATOM 777 N ASN B 86 -26.535 24.814 -9.839 1.00 21.85 N ATOM 778 CA ASN B 86 -27.435 25.126 -10.955 1.00 21.46 C ATOM 779 C ASN B 86 -28.799 24.490 -10.753 1.00 18.89 C ATOM 780 O ASN B 86 -28.965 23.606 -9.897 1.00 18.98 O ATOM 781 CB ASN B 86 -26.793 24.577 -12.263 1.00 23.33 C ATOM 782 CG ASN B 86 -25.379 25.075 -12.463 1.00 25.93 C ATOM 783 OD1 ASN B 86 -24.451 24.282 -12.724 1.00 28.02 O ATOM 784 ND2 ASN B 86 -25.183 26.376 -12.319 1.00 23.55 N ATOM 785 HD22 ASN B 86 -25.985 27.002 -12.102 1.00 0.00 H ATOM 786 HD21 ASN B 86 -24.227 26.773 -12.423 1.00 0.00 H ATOM 787 H ASN B 86 -26.227 23.829 -9.712 1.00 0.00 H ATOM 788 N SER B 87 -29.806 24.980 -11.485 1.00 19.56 N ATOM 789 CA SER B 87 -31.164 24.394 -11.447 1.00 18.40 C ATOM 790 C SER B 87 -31.695 24.354 -10.022 1.00 17.16 C ATOM 791 O SER B 87 -32.300 23.394 -9.561 1.00 15.11 O ATOM 792 CB SER B 87 -31.182 23.006 -12.116 1.00 20.85 C ATOM 793 OG SER B 87 -30.594 23.106 -13.394 1.00 23.53 O ATOM 794 HG SER B 87 -30.602 22.217 -13.830 1.00 0.00 H ATOM 795 H SER B 87 -29.628 25.799 -12.101 1.00 0.00 H ATOM 796 N LEU B 88 -31.440 25.439 -9.295 1.00 17.73 N ATOM 797 CA LEU B 88 -31.939 25.565 -7.941 1.00 18.35 C ATOM 798 C LEU B 88 -33.482 25.427 -7.798 1.00 19.35 C ATOM 799 O LEU B 88 -34.297 25.869 -8.662 1.00 18.69 O ATOM 800 CB LEU B 88 -31.417 26.886 -7.329 1.00 18.99 C ATOM 801 CG LEU B 88 -29.946 26.899 -6.906 1.00 19.09 C ATOM 802 CD1 LEU B 88 -29.402 28.328 -6.745 1.00 18.20 C ATOM 803 CD2 LEU B 88 -29.737 26.077 -5.646 1.00 19.14 C ATOM 804 H LEU B 88 -30.874 26.209 -9.705 1.00 0.00 H ATOM 805 N LYS B 89 -33.882 24.831 -6.689 1.00 19.52 N ATOM 806 CA LYS B 89 -35.275 24.641 -6.416 1.00 22.02 C ATOM 807 C LYS B 89 -35.612 24.989 -4.954 1.00 21.28 C ATOM 808 O LYS B 89 -34.701 25.070 -4.109 1.00 21.71 O ATOM 809 CB LYS B 89 -35.688 23.210 -6.821 1.00 22.11 C ATOM 810 CG LYS B 89 -35.239 22.115 -5.879 1.00 25.86 C ATOM 811 CD LYS B 89 -35.425 20.745 -6.523 1.00 27.45 C ATOM 812 CE LYS B 89 -34.425 19.753 -5.949 1.00 30.45 C ATOM 813 NZ LYS B 89 -34.395 18.514 -6.774 1.00 31.11 N ATOM 814 HZ1 LYS B 89 -35.340 18.080 -6.780 1.00 0.00 H ATOM 815 HZ2 LYS B 89 -34.116 18.753 -7.747 1.00 0.00 H ATOM 816 HZ3 LYS B 89 -33.708 17.846 -6.370 1.00 0.00 H ATOM 817 H LYS B 89 -33.175 24.495 -6.004 1.00 0.00 H ATOM 818 N PRO B 90 -36.906 25.256 -4.660 1.00 22.03 N ATOM 819 CA PRO B 90 -37.260 25.749 -3.309 1.00 22.12 C ATOM 820 C PRO B 90 -36.732 24.887 -2.168 1.00 22.56 C ATOM 821 O PRO B 90 -36.357 25.428 -1.106 1.00 20.70 O ATOM 822 CB PRO B 90 -38.781 25.799 -3.350 1.00 22.78 C ATOM 823 CG PRO B 90 -39.064 26.176 -4.763 1.00 21.37 C ATOM 824 CD PRO B 90 -38.042 25.419 -5.590 1.00 21.94 C ATOM 825 N GLU B 91 -36.671 23.570 -2.403 1.00 22.32 N ATOM 826 CA GLU B 91 -36.157 22.612 -1.413 1.00 24.67 C ATOM 827 C GLU B 91 -34.682 22.818 -1.081 1.00 21.83 C ATOM 828 O GLU B 91 -34.207 22.268 -0.092 1.00 20.15 O ATOM 829 CB GLU B 91 -36.363 21.147 -1.879 1.00 28.00 C ATOM 830 CG GLU B 91 -37.821 20.700 -1.979 1.00 32.72 C ATOM 831 CD GLU B 91 -38.601 21.375 -3.117 1.00 36.96 C ATOM 832 OE1 GLU B 91 -38.004 21.818 -4.133 1.00 33.01 O ATOM 833 OE2 GLU B 91 -39.841 21.473 -2.983 1.00 41.34 O ATOM 834 H GLU B 91 -37.000 23.211 -3.322 1.00 0.00 H ATOM 835 N ASP B 92 -33.959 23.566 -1.921 1.00 19.04 N ATOM 836 CA ASP B 92 -32.588 23.925 -1.653 1.00 17.92 C ATOM 837 C ASP B 92 -32.416 25.055 -0.642 1.00 16.00 C ATOM 838 O ASP B 92 -31.311 25.351 -0.253 1.00 14.79 O ATOM 839 CB ASP B 92 -31.836 24.278 -2.954 1.00 18.69 C ATOM 840 CG ASP B 92 -31.778 23.108 -3.950 1.00 21.15 C ATOM 841 OD1 ASP B 92 -31.392 21.979 -3.518 1.00 21.23 O ATOM 842 OD2 ASP B 92 -32.069 23.354 -5.165 1.00 19.15 O ATOM 843 H ASP B 92 -34.402 23.901 -2.800 1.00 0.00 H ATOM 844 N THR B 93 -33.499 25.733 -0.254 1.00 15.61 N ATOM 845 CA THR B 93 -33.377 26.822 0.692 1.00 13.99 C ATOM 846 C THR B 93 -32.775 26.383 2.034 1.00 12.35 C ATOM 847 O THR B 93 -33.262 25.424 2.644 1.00 12.73 O ATOM 848 CB THR B 93 -34.744 27.494 0.865 1.00 14.78 C ATOM 849 OG1 THR B 93 -35.181 27.942 -0.431 1.00 14.49 O ATOM 850 CG2 THR B 93 -34.692 28.642 1.901 1.00 15.22 C ATOM 851 HG1 THR B 93 -35.254 27.165 -1.040 1.00 0.00 H ATOM 852 H THR B 93 -34.433 25.478 -0.633 1.00 0.00 H ATOM 853 N ALA B 94 -31.724 27.085 2.492 1.00 11.71 N ATOM 854 CA ALA B 94 -31.025 26.737 3.738 1.00 11.22 C ATOM 855 C ALA B 94 -29.920 27.727 3.955 1.00 11.18 C ATOM 856 O ALA B 94 -29.534 28.438 3.031 1.00 10.53 O ATOM 857 CB ALA B 94 -30.365 25.366 3.650 1.00 12.02 C ATOM 858 H ALA B 94 -31.393 27.905 1.945 1.00 0.00 H ATOM 859 N VAL B 95 -29.318 27.646 5.133 1.00 12.52 N ATOM 860 CA VAL B 95 -28.002 28.267 5.362 1.00 12.35 C ATOM 861 C VAL B 95 -26.904 27.275 4.948 1.00 12.72 C ATOM 862 O VAL B 95 -26.858 26.146 5.453 1.00 13.71 O ATOM 863 CB VAL B 95 -27.780 28.630 6.842 1.00 13.51 C ATOM 864 CG1 VAL B 95 -26.406 29.281 7.002 1.00 14.47 C ATOM 865 CG2 VAL B 95 -28.869 29.644 7.306 1.00 14.00 C ATOM 866 H VAL B 95 -29.783 27.135 5.910 1.00 0.00 H ATOM 867 N TYR B 96 -26.099 27.673 3.979 1.00 11.54 N ATOM 868 CA TYR B 96 -24.896 26.856 3.553 1.00 12.57 C ATOM 869 C TYR B 96 -23.613 27.286 4.282 1.00 13.63 C ATOM 870 O TYR B 96 -23.208 28.442 4.229 1.00 15.03 O ATOM 871 CB TYR B 96 -24.739 26.977 2.029 1.00 12.35 C ATOM 872 CG TYR B 96 -25.869 26.260 1.256 1.00 12.44 C ATOM 873 CD1 TYR B 96 -27.194 26.752 1.265 1.00 13.09 C ATOM 874 CD2 TYR B 96 -25.592 25.155 0.476 1.00 13.22 C ATOM 875 CE1 TYR B 96 -28.223 26.107 0.597 1.00 13.02 C ATOM 876 CE2 TYR B 96 -26.612 24.500 -0.212 1.00 12.99 C ATOM 877 CZ TYR B 96 -27.918 25.004 -0.184 1.00 13.15 C ATOM 878 OH TYR B 96 -28.903 24.306 -0.884 1.00 12.85 O ATOM 879 HH TYR B 96 -29.772 24.769 -0.780 1.00 0.00 H ATOM 880 H TYR B 96 -26.296 28.572 3.495 1.00 0.00 H ATOM 881 N SER B 97 -22.895 26.339 4.882 1.00 14.45 N ATOM 882 CA SER B 97 -21.690 26.668 5.617 1.00 14.51 C ATOM 883 C SER B 97 -20.602 25.704 5.161 1.00 13.68 C ATOM 884 O SER B 97 -20.913 24.585 4.712 1.00 12.04 O ATOM 885 CB SER B 97 -21.924 26.554 7.123 1.00 17.60 C ATOM 886 OG SER B 97 -22.424 25.283 7.456 1.00 21.28 O ATOM 887 HG SER B 97 -23.283 25.134 6.987 1.00 0.00 H ATOM 888 H SER B 97 -23.204 25.348 4.822 1.00 0.00 H ATOM 889 N CYS B 98 -19.373 26.188 5.197 1.00 12.31 N ATOM 890 CA CYS B 98 -18.234 25.337 4.887 1.00 13.05 C ATOM 891 C CYS B 98 -17.500 24.936 6.141 1.00 12.75 C ATOM 892 O CYS B 98 -17.600 25.630 7.173 1.00 13.83 O ATOM 893 CB CYS B 98 -17.332 26.099 3.957 1.00 14.68 C ATOM 894 SG CYS B 98 -16.291 25.027 2.991 1.00 18.70 S ATOM 895 H CYS B 98 -19.218 27.185 5.449 1.00 0.00 H ATOM 896 N ALA B 99 -16.760 23.823 6.087 1.00 11.24 N ATOM 897 CA ALA B 99 -16.120 23.271 7.253 1.00 10.79 C ATOM 898 C ALA B 99 -14.878 22.574 6.770 1.00 11.78 C ATOM 899 O ALA B 99 -14.849 22.132 5.584 1.00 11.41 O ATOM 900 CB ALA B 99 -17.068 22.281 7.970 1.00 9.77 C ATOM 901 H ALA B 99 -16.643 23.341 5.173 1.00 0.00 H ATOM 902 N THR B 100 -13.854 22.535 7.623 1.00 11.03 N ATOM 903 CA THR B 100 -12.551 21.927 7.303 1.00 10.58 C ATOM 904 C THR B 100 -11.912 21.193 8.479 1.00 10.03 C ATOM 905 O THR B 100 -12.305 21.314 9.619 1.00 10.12 O ATOM 906 CB THR B 100 -11.567 22.936 6.602 1.00 10.45 C ATOM 907 OG1 THR B 100 -10.460 22.202 6.070 1.00 12.76 O ATOM 908 CG2 THR B 100 -10.994 23.934 7.624 1.00 10.71 C ATOM 909 HG1 THR B 100 -10.790 21.541 5.411 1.00 0.00 H ATOM 910 H THR B 100 -13.982 22.957 8.565 1.00 0.00 H ATOM 911 N ARG B 101 -10.946 20.346 8.180 1.00 9.84 N ATOM 912 CA ARG B 101 -10.342 19.509 9.191 1.00 10.26 C ATOM 913 C ARG B 101 -8.946 19.224 8.685 1.00 12.36 C ATOM 914 O ARG B 101 -8.654 19.428 7.463 1.00 12.02 O ATOM 915 CB ARG B 101 -11.160 18.176 9.322 1.00 11.03 C ATOM 916 CG ARG B 101 -11.051 17.283 8.056 1.00 10.44 C ATOM 917 CD ARG B 101 -12.153 16.191 8.024 1.00 11.51 C ATOM 918 NE ARG B 101 -11.992 15.241 9.127 1.00 10.83 N ATOM 919 CZ ARG B 101 -11.413 14.031 9.036 1.00 12.11 C ATOM 920 NH1 ARG B 101 -11.043 13.507 7.844 1.00 11.01 N ATOM 921 NH2 ARG B 101 -11.349 13.262 10.141 1.00 12.31 N ATOM 922 HE ARG B 101 -12.356 15.526 10.059 1.00 0.00 H ATOM 923 HH12 ARG B 101 -10.597 12.568 7.805 1.00 0.00 H ATOM 924 HH11 ARG B 101 -11.205 14.043 6.968 1.00 0.00 H ATOM 925 HH22 ARG B 101 -10.906 12.322 10.096 1.00 0.00 H ATOM 926 HH21 ARG B 101 -11.743 13.608 11.039 1.00 0.00 H ATOM 927 H ARG B 101 -10.613 20.279 7.197 1.00 0.00 H ATOM 928 N ALA B 102 -8.053 18.807 9.613 1.00 11.52 N ATOM 929 CA ALA B 102 -6.634 18.617 9.335 1.00 12.12 C ATOM 930 C ALA B 102 -6.286 17.292 8.690 1.00 11.87 C ATOM 931 O ALA B 102 -5.382 16.566 9.159 1.00 10.59 O ATOM 932 CB ALA B 102 -5.768 18.874 10.592 1.00 11.49 C ATOM 933 H ALA B 102 -8.397 18.612 10.575 1.00 0.00 H ATOM 934 N SER B 103 -7.027 17.005 7.608 1.00 12.92 N ATOM 935 CA SER B 103 -6.906 15.755 6.830 1.00 11.85 C ATOM 936 C SER B 103 -7.451 16.004 5.419 1.00 10.92 C ATOM 937 O SER B 103 -8.407 16.770 5.223 1.00 9.15 O ATOM 938 CB SER B 103 -7.785 14.650 7.452 1.00 12.82 C ATOM 939 OG SER B 103 -7.844 13.511 6.594 1.00 12.11 O ATOM 940 HG SER B 103 -8.412 12.815 7.010 1.00 0.00 H ATOM 941 H SER B 103 -7.730 17.706 7.298 1.00 0.00 H ATOM 942 N MET B 104 -6.875 15.313 4.435 1.00 10.71 N ATOM 943 CA MET B 104 -7.357 15.406 3.059 1.00 11.73 C ATOM 944 C MET B 104 -8.603 14.538 2.884 1.00 12.39 C ATOM 945 O MET B 104 -9.344 14.644 1.855 1.00 14.54 O ATOM 946 CB MET B 104 -6.274 14.871 2.106 1.00 11.90 C ATOM 947 CG MET B 104 -4.946 15.641 2.154 1.00 13.03 C ATOM 948 SD MET B 104 -3.956 15.208 0.700 1.00 14.08 S ATOM 949 CE MET B 104 -3.172 13.633 1.102 1.00 14.21 C ATOM 950 H MET B 104 -6.067 14.696 4.651 1.00 0.00 H ATOM 951 N GLN B 105 -8.860 13.681 3.874 1.00 12.87 N ATOM 952 CA GLN B 105 -10.016 12.757 3.757 1.00 14.29 C ATOM 953 C GLN B 105 -11.383 13.472 3.902 1.00 13.21 C ATOM 954 O GLN B 105 -11.732 13.979 4.973 1.00 13.17 O ATOM 955 CB GLN B 105 -9.875 11.561 4.701 1.00 17.29 C ATOM 956 CG GLN B 105 -10.817 10.402 4.344 1.00 23.43 C ATOM 957 CD GLN B 105 -10.306 9.603 3.134 1.00 28.67 C ATOM 958 OE1 GLN B 105 -11.067 9.293 2.195 1.00 33.26 O ATOM 959 NE2 GLN B 105 -9.020 9.286 3.139 1.00 28.16 N ATOM 960 HE22 GLN B 105 -8.419 9.563 3.941 1.00 0.00 H ATOM 961 HE21 GLN B 105 -8.611 8.760 2.341 1.00 0.00 H ATOM 962 H GLN B 105 -8.256 13.661 4.720 1.00 0.00 H ATOM 963 N VAL B 106 -12.136 13.569 2.803 1.00 12.18 N ATOM 964 CA VAL B 106 -13.488 14.174 2.848 1.00 11.04 C ATOM 965 C VAL B 106 -14.498 13.179 3.418 1.00 11.46 C ATOM 966 O VAL B 106 -14.659 12.083 2.907 1.00 12.11 O ATOM 967 CB VAL B 106 -13.969 14.647 1.446 1.00 11.98 C ATOM 968 CG1 VAL B 106 -15.397 15.151 1.489 1.00 12.04 C ATOM 969 CG2 VAL B 106 -13.066 15.800 0.993 1.00 11.29 C ATOM 970 H VAL B 106 -11.766 13.213 1.898 1.00 0.00 H ATOM 971 N LEU B 107 -15.204 13.587 4.477 1.00 10.80 N ATOM 972 CA LEU B 107 -16.208 12.729 5.140 1.00 10.59 C ATOM 973 C LEU B 107 -17.537 13.459 5.208 1.00 11.00 C ATOM 974 O LEU B 107 -17.525 14.683 5.241 1.00 11.13 O ATOM 975 CB LEU B 107 -15.735 12.370 6.554 1.00 10.47 C ATOM 976 CG LEU B 107 -14.492 11.456 6.572 1.00 9.99 C ATOM 977 CD1 LEU B 107 -13.884 11.199 7.962 1.00 10.80 C ATOM 978 CD2 LEU B 107 -14.706 10.135 5.824 1.00 9.73 C ATOM 979 H LEU B 107 -15.041 14.545 4.848 1.00 0.00 H ATOM 980 N THR B 108 -18.677 12.715 5.232 1.00 10.93 N ATOM 981 CA THR B 108 -19.992 13.326 5.134 1.00 12.13 C ATOM 982 C THR B 108 -20.577 13.718 6.503 1.00 12.22 C ATOM 983 O THR B 108 -21.455 14.557 6.559 1.00 13.24 O ATOM 984 CB THR B 108 -20.982 12.452 4.265 1.00 13.66 C ATOM 985 OG1 THR B 108 -20.971 11.103 4.712 1.00 15.52 O ATOM 986 CG2 THR B 108 -20.472 12.444 2.801 1.00 13.91 C ATOM 987 HG1 THR B 108 -21.255 11.068 5.660 1.00 0.00 H ATOM 988 H THR B 108 -18.605 11.681 5.323 1.00 0.00 H ATOM 989 N SER B 109 -20.042 13.160 7.597 1.00 13.60 N ATOM 990 CA SER B 109 -20.463 13.529 8.963 1.00 14.76 C ATOM 991 C SER B 109 -19.988 14.926 9.379 1.00 15.43 C ATOM 992 O SER B 109 -18.831 15.198 9.310 1.00 14.67 O ATOM 993 CB SER B 109 -19.887 12.543 9.994 1.00 16.04 C ATOM 994 OG SER B 109 -20.201 12.986 11.305 1.00 18.10 O ATOM 995 HG SER B 109 -21.184 13.034 11.409 1.00 0.00 H ATOM 996 H SER B 109 -19.302 12.439 7.480 1.00 0.00 H ATOM 997 N PRO B 110 -20.906 15.800 9.853 1.00 15.87 N ATOM 998 CA PRO B 110 -20.388 17.074 10.376 1.00 17.40 C ATOM 999 C PRO B 110 -19.482 16.896 11.579 1.00 16.71 C ATOM 1000 O PRO B 110 -18.658 17.789 11.901 1.00 15.27 O ATOM 1001 CB PRO B 110 -21.649 17.846 10.803 1.00 16.89 C ATOM 1002 CG PRO B 110 -22.832 17.055 10.284 1.00 20.12 C ATOM 1003 CD PRO B 110 -22.355 15.651 10.007 1.00 17.29 C ATOM 1004 N ARG B 111 -19.621 15.768 12.269 1.00 19.25 N ATOM 1005 CA ARG B 111 -18.871 15.546 13.535 1.00 23.47 C ATOM 1006 C ARG B 111 -17.340 15.578 13.481 1.00 21.69 C ATOM 1007 O ARG B 111 -16.668 15.903 14.480 1.00 21.46 O ATOM 1008 CB ARG B 111 -19.361 14.269 14.226 1.00 26.20 C ATOM 1009 CG ARG B 111 -20.875 14.303 14.395 1.00 34.28 C ATOM 1010 CD ARG B 111 -21.416 13.141 15.211 1.00 40.03 C ATOM 1011 NE ARG B 111 -20.595 12.892 16.392 1.00 46.94 N ATOM 1012 CZ ARG B 111 -19.940 11.757 16.616 1.00 52.04 C ATOM 1013 NH1 ARG B 111 -20.023 10.753 15.748 1.00 56.08 N ATOM 1014 NH2 ARG B 111 -19.213 11.619 17.718 1.00 53.84 N ATOM 1015 HE ARG B 111 -20.518 13.649 17.101 1.00 0.00 H ATOM 1016 HH12 ARG B 111 -19.509 9.867 15.927 1.00 0.00 H ATOM 1017 HH11 ARG B 111 -20.602 10.854 14.890 1.00 0.00 H ATOM 1018 HH22 ARG B 111 -18.700 10.732 17.895 1.00 0.00 H ATOM 1019 HH21 ARG B 111 -19.156 12.398 18.405 1.00 0.00 H ATOM 1020 H ARG B 111 -20.264 15.029 11.919 1.00 0.00 H ATOM 1021 N VAL B 112 -16.784 15.261 12.306 1.00 17.88 N ATOM 1022 CA VAL B 112 -15.382 15.093 12.169 1.00 17.79 C ATOM 1023 C VAL B 112 -14.739 16.403 11.634 1.00 15.16 C ATOM 1024 O VAL B 112 -13.624 16.370 11.255 1.00 15.65 O ATOM 1025 CB VAL B 112 -15.040 13.870 11.259 1.00 16.95 C ATOM 1026 CG1 VAL B 112 -15.951 12.686 11.616 1.00 19.04 C ATOM 1027 CG2 VAL B 112 -15.242 14.200 9.794 1.00 16.61 C ATOM 1028 H VAL B 112 -17.394 15.135 11.473 1.00 0.00 H ATOM 1029 N TYR B 113 -15.487 17.513 11.582 1.00 13.14 N ATOM 1030 CA TYR B 113 -14.895 18.824 11.206 1.00 13.51 C ATOM 1031 C TYR B 113 -14.827 19.792 12.385 1.00 14.93 C ATOM 1032 O TYR B 113 -15.877 20.229 12.870 1.00 15.44 O ATOM 1033 CB TYR B 113 -15.706 19.501 10.086 1.00 12.09 C ATOM 1034 CG TYR B 113 -15.692 18.688 8.791 1.00 11.68 C ATOM 1035 CD1 TYR B 113 -16.620 17.649 8.589 1.00 12.03 C ATOM 1036 CD2 TYR B 113 -14.799 18.979 7.763 1.00 11.63 C ATOM 1037 CE1 TYR B 113 -16.623 16.927 7.394 1.00 12.36 C ATOM 1038 CE2 TYR B 113 -14.764 18.245 6.576 1.00 12.20 C ATOM 1039 CZ TYR B 113 -15.726 17.214 6.407 1.00 12.22 C ATOM 1040 OH TYR B 113 -15.755 16.444 5.249 1.00 12.18 O ATOM 1041 HH TYR B 113 -16.488 15.782 5.313 1.00 0.00 H ATOM 1042 H TYR B 113 -16.500 17.457 11.809 1.00 0.00 H ATOM 1043 N PRO B 114 -13.610 20.175 12.786 1.00 15.66 N ATOM 1044 CA PRO B 114 -13.557 21.093 13.941 1.00 17.17 C ATOM 1045 C PRO B 114 -13.776 22.549 13.602 1.00 17.27 C ATOM 1046 O PRO B 114 -14.021 23.337 14.513 1.00 14.92 O ATOM 1047 CB PRO B 114 -12.150 20.918 14.506 1.00 15.48 C ATOM 1048 CG PRO B 114 -11.348 20.187 13.469 1.00 18.40 C ATOM 1049 CD PRO B 114 -12.308 19.548 12.480 1.00 15.13 C ATOM 1050 N ILE B 115 -13.617 22.909 12.323 1.00 16.70 N ATOM 1051 CA ILE B 115 -13.573 24.300 11.937 1.00 15.99 C ATOM 1052 C ILE B 115 -14.709 24.574 10.984 1.00 15.02 C ATOM 1053 O ILE B 115 -14.867 23.867 9.975 1.00 14.57 O ATOM 1054 CB ILE B 115 -12.220 24.678 11.270 1.00 16.73 C ATOM 1055 CG1 ILE B 115 -11.060 24.525 12.296 1.00 16.43 C ATOM 1056 CG2 ILE B 115 -12.338 26.051 10.580 1.00 16.68 C ATOM 1057 CD1 ILE B 115 -9.726 25.136 11.888 1.00 18.19 C ATOM 1058 H ILE B 115 -13.523 22.174 11.594 1.00 0.00 H ATOM 1059 N TRP B 116 -15.458 25.628 11.302 1.00 13.74 N ATOM 1060 CA TRP B 116 -16.656 26.008 10.584 1.00 15.64 C ATOM 1061 C TRP B 116 -16.706 27.485 10.295 1.00 16.49 C ATOM 1062 O TRP B 116 -16.157 28.326 11.077 1.00 15.87 O ATOM 1063 CB TRP B 116 -17.907 25.663 11.406 1.00 15.48 C ATOM 1064 CG TRP B 116 -18.082 24.220 11.531 1.00 16.34 C ATOM 1065 CD1 TRP B 116 -17.406 23.363 12.369 1.00 16.96 C ATOM 1066 CD2 TRP B 116 -18.948 23.420 10.738 1.00 16.16 C ATOM 1067 NE1 TRP B 116 -17.838 22.067 12.152 1.00 17.73 N ATOM 1068 CE2 TRP B 116 -18.776 22.076 11.152 1.00 15.82 C ATOM 1069 CE3 TRP B 116 -19.877 23.719 9.713 1.00 15.37 C ATOM 1070 CZ2 TRP B 116 -19.498 21.000 10.566 1.00 16.30 C ATOM 1071 CZ3 TRP B 116 -20.604 22.642 9.119 1.00 15.70 C ATOM 1072 CH2 TRP B 116 -20.401 21.302 9.573 1.00 16.70 C ATOM 1073 HE1 TRP B 116 -17.506 21.224 12.663 1.00 0.00 H ATOM 1074 H TRP B 116 -15.166 26.211 12.112 1.00 0.00 H ATOM 1075 N GLY B 117 -17.349 27.793 9.175 1.00 16.39 N ATOM 1076 CA GLY B 117 -17.678 29.170 8.820 1.00 19.78 C ATOM 1077 C GLY B 117 -18.981 29.552 9.465 1.00 20.94 C ATOM 1078 O GLY B 117 -19.652 28.703 10.090 1.00 22.93 O ATOM 1079 H GLY B 117 -17.628 27.027 8.529 1.00 0.00 H ATOM 1080 N ARG B 118 -19.403 30.793 9.236 1.00 24.34 N ATOM 1081 CA ARG B 118 -20.701 31.313 9.725 1.00 27.37 C ATOM 1082 C ARG B 118 -21.930 30.838 8.918 1.00 25.66 C ATOM 1083 O ARG B 118 -23.034 30.690 9.455 1.00 26.71 O ATOM 1084 CB ARG B 118 -20.677 32.847 9.661 1.00 32.51 C ATOM 1085 CG ARG B 118 -20.509 33.569 10.985 1.00 43.48 C ATOM 1086 CD ARG B 118 -21.020 34.993 10.795 1.00 50.10 C ATOM 1087 NE ARG B 118 -21.046 35.803 12.013 1.00 56.85 N ATOM 1088 CZ ARG B 118 -20.567 37.044 12.096 1.00 62.56 C ATOM 1089 NH1 ARG B 118 -20.029 37.633 11.031 1.00 65.71 N ATOM 1090 NH2 ARG B 118 -20.638 37.708 13.245 1.00 65.43 N ATOM 1091 HE ARG B 118 -21.465 35.384 12.868 1.00 0.00 H ATOM 1092 HH12 ARG B 118 -19.658 38.602 11.105 1.00 0.00 H ATOM 1093 HH11 ARG B 118 -19.980 37.125 10.125 1.00 0.00 H ATOM 1094 HH22 ARG B 118 -20.264 38.676 13.310 1.00 0.00 H ATOM 1095 HH21 ARG B 118 -21.067 37.259 14.079 1.00 0.00 H ATOM 1096 H ARG B 118 -18.791 31.429 8.686 1.00 0.00 H ATOM 1097 N GLY B 119 -21.743 30.624 7.621 1.00 22.64 N ATOM 1098 CA GLY B 119 -22.839 30.284 6.739 1.00 19.65 C ATOM 1099 C GLY B 119 -23.217 31.473 5.855 1.00 19.46 C ATOM 1100 O GLY B 119 -22.937 32.646 6.190 1.00 19.58 O ATOM 1101 H GLY B 119 -20.783 30.703 7.228 1.00 0.00 H ATOM 1102 N THR B 120 -23.783 31.154 4.699 1.00 17.05 N ATOM 1103 CA THR B 120 -24.476 32.119 3.818 1.00 15.85 C ATOM 1104 C THR B 120 -25.910 31.649 3.472 1.00 15.86 C ATOM 1105 O THR B 120 -26.189 30.452 3.277 1.00 13.55 O ATOM 1106 CB THR B 120 -23.595 32.473 2.560 1.00 15.61 C ATOM 1107 OG1 THR B 120 -24.291 33.427 1.706 1.00 16.43 O ATOM 1108 CG2 THR B 120 -23.212 31.226 1.757 1.00 14.88 C ATOM 1109 HG1 THR B 120 -23.726 33.639 0.921 1.00 0.00 H ATOM 1110 H THR B 120 -23.737 30.161 4.392 1.00 0.00 H ATOM 1111 N GLN B 121 -26.859 32.587 3.374 1.00 16.42 N ATOM 1112 CA GLN B 121 -28.230 32.200 3.136 1.00 16.07 C ATOM 1113 C GLN B 121 -28.490 31.967 1.643 1.00 15.76 C ATOM 1114 O GLN B 121 -28.140 32.787 0.815 1.00 14.09 O ATOM 1115 CB GLN B 121 -29.185 33.319 3.658 1.00 16.75 C ATOM 1116 CG GLN B 121 -30.657 32.990 3.508 1.00 16.21 C ATOM 1117 CD GLN B 121 -31.103 31.786 4.297 1.00 17.49 C ATOM 1118 OE1 GLN B 121 -30.774 31.641 5.455 1.00 18.92 O ATOM 1119 NE2 GLN B 121 -31.851 30.906 3.665 1.00 16.98 N ATOM 1120 HE22 GLN B 121 -32.113 31.065 2.671 1.00 0.00 H ATOM 1121 HE21 GLN B 121 -32.180 30.052 4.160 1.00 0.00 H ATOM 1122 H GLN B 121 -26.610 33.592 3.469 1.00 0.00 H ATOM 1123 N VAL B 122 -29.178 30.874 1.340 1.00 15.47 N ATOM 1124 CA VAL B 122 -29.663 30.588 -0.002 1.00 16.20 C ATOM 1125 C VAL B 122 -31.153 30.406 0.071 1.00 17.22 C ATOM 1126 O VAL B 122 -31.669 29.520 0.782 1.00 15.99 O ATOM 1127 CB VAL B 122 -28.941 29.326 -0.595 1.00 16.82 C ATOM 1128 CG1 VAL B 122 -29.644 28.838 -1.860 1.00 17.30 C ATOM 1129 CG2 VAL B 122 -27.511 29.654 -0.920 1.00 17.35 C ATOM 1130 H VAL B 122 -29.380 30.190 2.097 1.00 0.00 H ATOM 1131 N THR B 123 -31.884 31.296 -0.610 1.00 17.40 N ATOM 1132 CA THR B 123 -33.314 31.178 -0.649 1.00 17.14 C ATOM 1133 C THR B 123 -33.777 31.085 -2.087 1.00 16.16 C ATOM 1134 O THR B 123 -33.398 31.903 -2.923 1.00 15.06 O ATOM 1135 CB THR B 123 -33.974 32.386 0.044 1.00 17.31 C ATOM 1136 OG1 THR B 123 -33.528 32.408 1.409 1.00 18.05 O ATOM 1137 CG2 THR B 123 -35.531 32.278 -0.005 1.00 18.90 C ATOM 1138 HG1 THR B 123 -33.939 33.177 1.877 1.00 0.00 H ATOM 1139 H THR B 123 -31.414 32.076 -1.113 1.00 0.00 H ATOM 1140 N VAL B 124 -34.599 30.073 -2.369 1.00 15.48 N ATOM 1141 CA VAL B 124 -35.092 29.827 -3.722 1.00 17.57 C ATOM 1142 C VAL B 124 -36.612 29.839 -3.654 1.00 18.77 C ATOM 1143 O VAL B 124 -37.250 29.091 -2.854 1.00 18.82 O ATOM 1144 CB VAL B 124 -34.597 28.461 -4.300 1.00 17.23 C ATOM 1145 CG1 VAL B 124 -34.931 28.337 -5.788 1.00 16.65 C ATOM 1146 CG2 VAL B 124 -33.123 28.274 -4.046 1.00 16.55 C ATOM 1147 H VAL B 124 -34.898 29.439 -1.601 1.00 0.00 H ATOM 1148 N SER B 125 -37.195 30.725 -4.450 1.00 20.68 N ATOM 1149 CA SER B 125 -38.640 30.881 -4.502 1.00 21.36 C ATOM 1150 C SER B 125 -39.170 30.602 -5.900 1.00 22.43 C ATOM 1151 O SER B 125 -38.486 30.873 -6.903 1.00 22.31 O ATOM 1152 CB SER B 125 -39.044 32.294 -4.078 1.00 20.30 C ATOM 1153 OG SER B 125 -38.890 32.488 -2.685 1.00 19.70 O ATOM 1154 HG SER B 125 -37.942 32.347 -2.436 1.00 0.00 H ATOM 1155 H SER B 125 -36.601 31.327 -5.056 1.00 0.00 H ATOM 1156 N SER B 126 -40.390 30.055 -5.971 1.00 23.40 N ATOM 1157 CA SER B 126 -41.056 29.899 -7.276 1.00 25.86 C ATOM 1158 C SER B 126 -41.049 31.247 -7.959 1.00 26.79 C ATOM 1159 O SER B 126 -41.222 32.272 -7.277 1.00 26.38 O ATOM 1160 CB SER B 126 -42.470 29.368 -7.135 1.00 25.53 C ATOM 1161 OG SER B 126 -42.385 28.083 -6.548 1.00 28.88 O ATOM 1162 HG SER B 126 -41.849 27.490 -7.131 1.00 0.00 H ATOM 1163 H SER B 126 -40.869 29.740 -5.103 1.00 0.00 H ATOM 1164 N PRO B 127 -40.801 31.262 -9.290 1.00 26.70 N ATOM 1165 CA PRO B 127 -40.550 32.519 -9.952 1.00 27.58 C ATOM 1166 C PRO B 127 -41.716 33.468 -9.693 1.00 27.86 C ATOM 1167 O PRO B 127 -42.871 33.052 -9.657 1.00 27.68 O ATOM 1168 CB PRO B 127 -40.469 32.136 -11.442 1.00 28.02 C ATOM 1169 CG PRO B 127 -40.111 30.694 -11.422 1.00 29.90 C ATOM 1170 CD PRO B 127 -40.926 30.171 -10.270 1.00 29.12 C ATOM 1171 N GLY B 128 -41.388 34.729 -9.461 1.00 27.91 N ATOM 1172 CA GLY B 128 -42.398 35.735 -9.172 1.00 26.71 C ATOM 1173 C GLY B 128 -41.759 36.947 -8.522 1.00 26.89 C ATOM 1174 O GLY B 128 -40.587 36.927 -8.114 1.00 24.30 O ATOM 1175 OXT GLY B 128 -42.436 37.969 -8.410 1.00 25.48 O ATOM 1176 H GLY B 128 -40.386 35.007 -9.486 1.00 0.00 H TER 1177 GLY B 128 HETATM 1178 O HOH 1 -44.478 34.082 -11.215 1.00 39.32 O HETATM 1179 O HOH 2 -19.075 33.519 -5.395 1.00 32.20 O HETATM 1180 O HOH 3 -14.289 30.001 10.992 1.00 11.75 O HETATM 1181 O HOH 4 -31.159 17.974 7.311 1.00 41.11 O HETATM 1182 O HOH 5 -34.228 34.419 2.765 1.00 22.65 O HETATM 1183 O HOH 6 -1.189 16.076 6.787 1.00 23.55 O HETATM 1184 O HOH 7 -23.504 33.792 -6.019 1.00 24.46 O HETATM 1185 O HOH 8 -34.164 33.870 -13.412 1.00 30.33 O HETATM 1186 O HOH 9 -41.290 22.929 -4.531 1.00 39.73 O HETATM 1187 O HOH 10 -27.665 17.694 0.871 1.00 26.62 O HETATM 1188 O HOH 11 -39.970 36.855 -11.370 1.00 26.07 O HETATM 1189 O HOH 12 -22.516 10.557 6.709 1.00 28.18 O HETATM 1190 O HOH 13 -12.916 34.375 -5.168 1.00 27.16 O HETATM 1191 O HOH 14 -12.476 34.326 -1.904 1.00 31.06 O HETATM 1192 O HOH 15 -17.415 32.705 9.356 1.00 24.84 O HETATM 1193 O HOH 16 -9.131 13.384 -0.425 1.00 22.45 O HETATM 1194 O HOH 17 -29.892 16.944 -8.044 1.00 23.04 O HETATM 1195 O HOH 18 -42.694 33.455 -5.452 1.00 42.33 O HETATM 1196 O HOH 19 -25.225 11.316 -0.649 1.00 28.01 O HETATM 1197 O HOH 20 -40.866 26.287 -7.763 1.00 28.17 O HETATM 1198 O HOH 21 -12.358 29.222 12.889 1.00 14.71 O HETATM 1199 O HOH 22 -8.711 33.243 1.438 1.00 36.00 O HETATM 1200 O HOH 23 -1.141 16.133 1.647 1.00 18.76 O HETATM 1201 O HOH 24 -2.358 29.077 -0.605 1.00 21.42 O HETATM 1202 O HOH 25 -26.157 14.649 2.493 1.00 24.66 O HETATM 1203 O HOH 26 -25.039 13.026 -6.035 1.00 32.39 O HETATM 1204 O HOH 27 0.428 26.134 3.850 1.00 37.40 O HETATM 1205 O HOH 28 -24.027 9.202 -3.970 1.00 20.77 O HETATM 1206 O HOH 29 -15.972 34.584 1.318 1.00 21.86 O HETATM 1207 O HOH 30 -29.296 27.079 -13.320 1.00 20.99 O HETATM 1208 O HOH 31 -32.346 22.791 1.820 1.00 17.33 O HETATM 1209 O HOH 32 -28.592 33.736 -10.362 1.00 36.15 O HETATM 1210 O HOH 33 -32.740 19.615 -2.411 1.00 23.40 O HETATM 1211 O HOH 34 -33.758 35.715 -10.000 1.00 21.46 O HETATM 1212 O HOH 35 -11.248 33.804 5.907 1.00 24.29 O HETATM 1213 O HOH 36 -18.783 35.229 -3.451 1.00 40.46 O HETATM 1214 O HOH 37 -39.612 34.716 -6.841 1.00 17.62 O HETATM 1215 O HOH 38 -25.152 25.180 7.359 1.00 23.50 O HETATM 1216 O HOH 39 -9.805 15.033 -9.809 1.00 12.45 O HETATM 1217 O HOH 40 -9.453 24.899 -9.705 1.00 26.78 O HETATM 1218 O HOH 41 -2.385 27.744 1.940 1.00 21.88 O HETATM 1219 O HOH 42 -32.717 16.925 2.913 1.00 41.61 O HETATM 1220 O HOH 43 -25.885 26.083 9.677 1.00 28.84 O HETATM 1221 O HOH 44 -13.851 9.692 1.780 1.00 21.33 O HETATM 1222 O HOH 45 -22.956 17.201 -9.220 1.00 25.40 O HETATM 1223 O HOH 46 -32.026 36.736 -7.912 1.00 11.13 O HETATM 1224 O HOH 47 -36.066 33.771 -3.267 1.00 15.63 O HETATM 1225 O HOH 48 -15.075 34.289 -1.072 1.00 28.21 O HETATM 1226 O HOH 49 -24.310 14.885 6.362 1.00 26.01 O HETATM 1227 O HOH 50 -15.494 11.464 -4.842 1.00 23.45 O HETATM 1228 O HOH 51 -38.394 29.447 -0.312 1.00 36.19 O HETATM 1229 O HOH 52 -14.888 26.955 13.736 1.00 27.35 O HETATM 1230 O HOH 53 -28.054 10.989 0.333 1.00 25.83 O HETATM 1231 O HOH 54 -23.705 31.198 -11.266 1.00 38.08 O HETATM 1232 O HOH 55 -13.565 14.951 -8.769 1.00 18.65 O HETATM 1233 O HOH 56 -22.404 12.228 -7.296 1.00 33.00 O HETATM 1234 O HOH 57 -17.497 12.865 -7.915 1.00 26.64 O HETATM 1235 O HOH 58 -29.069 32.107 -12.622 1.00 29.00 O HETATM 1236 O HOH 59 -26.911 19.793 12.814 1.00 33.47 O HETATM 1237 O HOH 60 -4.156 13.996 9.561 1.00 13.54 O HETATM 1238 O HOH 61 -10.787 31.515 -8.667 1.00 34.99 O HETATM 1239 O HOH 62 -1.236 24.714 -1.828 1.00 33.36 O HETATM 1240 O HOH 63 -9.464 20.930 -0.585 1.00 12.65 O HETATM 1241 O HOH 64 -13.131 14.054 -1.975 1.00 24.36 O HETATM 1242 O HOH 65 -16.979 25.378 -8.769 1.00 17.93 O HETATM 1243 O HOH 66 -3.981 28.206 -7.360 1.00 29.68 O HETATM 1244 O HOH 67 -32.816 17.416 -4.153 1.00 27.49 O HETATM 1245 O HOH 68 -14.229 17.495 14.693 1.00 14.47 O HETATM 1246 O HOH 69 -18.548 19.303 14.396 1.00 26.71 O HETATM 1247 O HOH 70 -19.017 37.179 3.797 1.00 25.26 O HETATM 1248 O HOH 71 -4.719 13.420 5.044 1.00 20.92 O HETATM 1249 O HOH 72 -31.190 20.922 6.422 1.00 19.94 O HETATM 1250 O HOH 73 -41.540 29.120 -3.408 1.00 40.42 O HETATM 1251 O HOH 74 -25.565 36.666 -4.860 1.00 29.97 O HETATM 1252 O HOH 75 -6.721 13.376 -4.286 1.00 29.54 O HETATM 1253 O HOH 76 -12.881 21.135 -9.510 1.00 29.19 O HETATM 1254 O HOH 77 -28.754 13.578 -0.310 1.00 26.91 O HETATM 1255 O HOH 78 -4.892 12.890 -2.343 1.00 16.42 O HETATM 1256 O HOH 79 -23.212 14.626 -9.639 1.00 31.73 O HETATM 1257 O HOH 80 -5.328 31.893 -8.774 1.00 37.05 O HETATM 1258 O HOH 81 -11.658 12.573 -0.011 1.00 31.96 O HETATM 1259 O HOH 82 -1.551 25.085 0.857 1.00 15.99 O HETATM 1260 O HOH 83 -33.162 28.739 5.361 1.00 23.11 O HETATM 1261 O HOH 84 -23.960 7.104 -6.934 1.00 34.50 O HETATM 1262 O HOH 85 -23.135 12.209 11.634 1.00 28.00 O HETATM 1263 O HOH 86 -19.226 38.954 1.835 1.00 32.67 O HETATM 1264 O HOH 87 -18.084 29.702 13.043 1.00 42.01 O HETATM 1265 O HOH 88 -20.243 15.606 17.930 1.00 41.30 O HETATM 1266 O HOH 89 -31.640 20.919 3.530 1.00 25.23 O HETATM 1267 O HOH 90 -34.736 26.434 5.325 1.00 39.16 O HETATM 1268 O HOH 91 -11.740 35.210 8.231 1.00 27.44 O HETATM 1269 O HOH 92 -27.422 22.709 -6.868 1.00 39.82 O HETATM 1270 O HOH 93 0.696 18.485 5.474 1.00 32.54 O HETATM 1271 O HOH 94 -14.476 32.697 11.423 1.00 34.68 O HETATM 1272 O HOH 95 -17.921 10.062 12.616 1.00 31.98 O HETATM 1273 O HOH 96 -14.305 11.811 -2.599 1.00 26.58 O HETATM 1274 O HOH 97 -6.747 12.171 -0.333 1.00 24.70 O HETATM 1275 O HOH 98 0.000 14.531 0.000 1.00 30.55 O HETATM 1276 O HOH 99 -36.441 35.775 1.128 1.00 26.85 O HETATM 1277 O HOH 100 -1.793 15.276 4.195 1.00 26.27 O HETATM 1278 O HOH 101 -13.168 20.908 18.241 1.00 36.79 O HETATM 1279 O HOH 102 -14.043 18.570 17.129 1.00 30.23 O HETATM 1280 O HOH 103 -13.278 35.029 10.436 1.00 37.24 O HETATM 1281 O HOH 104 -2.814 11.387 -2.032 1.00 22.61 O HETATM 1282 O HOH 105 -0.320 12.294 -1.295 1.00 34.93 O HETATM 1283 O HOH 106 -1.324 11.738 3.360 1.00 29.44 O HETATM 1284 C12 UNN A 107 -7.844 22.509 8.909 1.00 -0.03 C HETATM 1285 C11 UNN A 107 -7.129 23.062 7.855 1.00 0.07 C HETATM 1286 N1 UNN A 107 -7.716 23.082 6.633 1.00 -0.21 N HETATM 1287 C8 UNN A 107 -7.465 23.929 5.626 1.00 0.32 C HETATM 1288 N7 UNN A 107 -8.315 23.794 4.601 1.00 -0.21 N HETATM 1289 C4 UNN A 107 -8.340 24.466 3.406 1.00 0.07 C HETATM 1290 C5 UNN A 107 -8.857 23.765 2.320 1.00 -0.04 C HETATM 1291 C6 UNN A 107 -8.902 24.352 1.045 1.00 -0.06 C HETATM 1292 C1 UNN A 107 -8.446 25.668 0.871 1.00 0.02 C HETATM 1293 CL1 UNN A 107 -8.535 26.411 -0.751 1.00 -0.09 CL HETATM 1294 C2 UNN A 107 -7.945 26.401 1.944 1.00 -0.06 C HETATM 1295 C3 UNN A 107 -7.868 25.776 3.203 1.00 -0.04 C HETATM 1296 H6 UNN A 107 -7.435 26.317 4.036 1.00 0.05 H HETATM 1297 H5 UNN A 107 -7.622 27.427 1.813 1.00 0.06 H HETATM 1298 H4 UNN A 107 -9.287 23.792 0.200 1.00 0.06 H HETATM 1299 H3 UNN A 107 -9.228 22.756 2.460 1.00 0.05 H HETATM 1300 H7 UNN A 107 -9.032 23.107 4.724 1.00 0.23 H HETATM 1301 O9 UNN A 107 -6.568 24.785 5.651 1.00 -0.38 O HETATM 1302 H2 UNN A 107 -8.415 22.387 6.465 1.00 0.23 H HETATM 1303 C16 UNN A 107 -5.866 23.630 8.118 1.00 -0.04 C HETATM 1304 C15 UNN A 107 -5.292 23.585 9.388 1.00 -0.06 C HETATM 1305 C14 UNN A 107 -6.031 23.021 10.426 1.00 0.04 C HETATM 1306 C13 UNN A 107 -7.277 22.459 10.189 1.00 0.04 C HETATM 1307 CL2 UNN A 107 -8.232 21.757 11.547 1.00 -0.07 CL HETATM 1308 CL3 UNN A 107 -5.302 22.975 12.069 1.00 -0.08 CL HETATM 1309 H8 UNN A 107 -4.297 23.978 9.563 1.00 0.06 H HETATM 1310 H9 UNN A 107 -5.327 24.114 7.312 1.00 0.05 H HETATM 1311 H1 UNN A 107 -8.840 22.116 8.742 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1284 1285 1306 1311 CONECT 1285 1284 1286 1303 CONECT 1286 1285 1287 1302 CONECT 1287 1286 1288 1301 CONECT 1288 1287 1289 1300 CONECT 1289 1288 1290 1295 CONECT 1290 1289 1291 1299 CONECT 1291 1290 1292 1298 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1297 CONECT 1295 1289 1294 1296 CONECT 1296 1295 CONECT 1297 1294 CONECT 1298 1291 CONECT 1299 1290 CONECT 1300 1288 CONECT 1301 1287 CONECT 1302 1286 CONECT 1303 1285 1304 1310 CONECT 1304 1303 1305 1309 CONECT 1305 1304 1306 1308 CONECT 1306 1284 1305 1307 CONECT 1307 1306 CONECT 1308 1305 CONECT 1309 1304 CONECT 1310 1303 CONECT 1311 1284 MASTER 0 0 0 0 0 0 0 0 1310 1 32 10 END
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Structure:
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Related entries of code: 5vm0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5vl2
RCSB PDB
PDBbind
9EG
5vm6
RCSB PDB
PDBbind
9EG
Entry Information
PDB ID
5vm0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Camelid Nanobody VHH T9
Ligand Name
9EG
EC.Number
E.C.-.-.-.-
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
Kd=1.60nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Mol. Recognit. Vol. 32: pp. e2755-e2755
Ligand Properties
Formula
C
1
3
H
9
Cl
3
N
2
O
Molecular Weight
315.582
Exact Mass
313.978
No. of atoms
28
No. of bonds
29
Polar Surface Area
41.13
LOGP Value
4.37 (
Computed with XLOGP3
)
5.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl
InChI String
InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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