Browse entries in the PDBbind-CN Database
HEADER 4P5E_COMPLEX COMPND 4P5E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 43 ARG PRO ALA LEU TYR PHE CYS GLY SER ILE ARG GLY GLY SEQRES 2 B 43 ARG GLU ASP ARG THR LEU TYR GLU ARG ILE VAL SER ARG SEQRES 3 B 43 LEU ARG ARG PHE GLY THR VAL LEU THR GLU HIS VAL ALA SEQRES 4 B 43 ALA ALA GLU LEU SEQRES 1 B 93 GLY ASP ARG LEU ILE HIS GLU GLN ASP LEU GLU TRP LEU SEQRES 2 B 93 GLN GLN ALA ASP VAL VAL VAL ALA GLU VAL THR GLN PRO SEQRES 3 B 93 SER LEU GLY VAL GLY TYR GLU LEU GLY ARG ALA VAL ALA SEQRES 4 B 93 PHE ASN LYS ARG ILE LEU CYS LEU PHE ARG PRO GLN SER SEQRES 5 B 93 GLY ARG VAL LEU SER ALA MET ILE ARG GLY ALA ALA ASP SEQRES 6 B 93 GLY SER ARG PHE GLN VAL TRP ASP TYR GLU GLU GLY GLU SEQRES 7 B 93 VAL GLU ALA LEU LEU ASP ARG TYR PHE GLU ALA ASP PRO SEQRES 8 B 93 LEU GLU HET CA A 1 1 HET N A 6P 49 ATOM 1 N ARG B 20 -19.774 28.896 15.938 1.00 24.46 N ATOM 2 CA ARG B 20 -19.351 27.512 16.164 1.00 25.31 C ATOM 3 C ARG B 20 -20.187 26.510 15.362 1.00 18.83 C ATOM 4 O ARG B 20 -21.375 26.720 15.130 1.00 21.71 O ATOM 5 CB ARG B 20 -19.429 27.158 17.655 1.00 27.64 C ATOM 6 CG ARG B 20 -18.446 27.918 18.531 1.00 45.46 C ATOM 7 CD ARG B 20 -17.098 27.230 18.570 1.00 53.53 C ATOM 8 NE ARG B 20 -17.076 26.138 19.539 1.00 52.21 N ATOM 9 CZ ARG B 20 -16.222 25.123 19.496 1.00 62.08 C ATOM 10 NH1 ARG B 20 -15.328 25.050 18.516 1.00 39.30 N ATOM 11 NH2 ARG B 20 -16.271 24.176 20.425 1.00 35.00 N ATOM 12 HE ARG B 20 -17.773 26.157 20.311 1.00 0.00 H ATOM 13 HH12 ARG B 20 -14.658 24.255 18.481 1.00 0.00 H ATOM 14 HH11 ARG B 20 -15.298 25.788 17.784 1.00 0.00 H ATOM 15 HH22 ARG B 20 -15.602 23.380 20.392 1.00 0.00 H ATOM 16 HH21 ARG B 20 -16.978 24.230 21.186 1.00 0.00 H ATOM 17 HN3 ARG B 20 -20.768 29.004 16.223 1.00 0.00 H ATOM 18 HN2 ARG B 20 -19.674 29.127 14.929 1.00 0.00 H ATOM 19 HN1 ARG B 20 -19.179 29.536 16.502 1.00 0.00 H ATOM 20 N PRO B 21 -19.569 25.400 14.947 1.00 19.78 N ATOM 21 CA PRO B 21 -20.330 24.354 14.272 1.00 15.32 C ATOM 22 C PRO B 21 -21.393 23.786 15.197 1.00 14.52 C ATOM 23 O PRO B 21 -21.303 23.974 16.409 1.00 17.73 O ATOM 24 CB PRO B 21 -19.287 23.276 13.964 1.00 22.07 C ATOM 25 CG PRO B 21 -17.978 23.960 14.051 1.00 15.63 C ATOM 26 CD PRO B 21 -18.139 25.063 15.058 1.00 19.09 C ATOM 27 N ALA B 22 -22.373 23.094 14.634 1.00 12.45 N ATOM 28 CA ALA B 22 -23.451 22.513 15.415 1.00 12.64 C ATOM 29 C ALA B 22 -23.433 21.003 15.263 1.00 12.33 C ATOM 30 O ALA B 22 -23.300 20.484 14.143 1.00 13.27 O ATOM 31 CB ALA B 22 -24.808 23.080 14.961 1.00 14.01 C ATOM 32 H ALA B 22 -22.370 22.963 13.602 1.00 0.00 H ATOM 33 N LEU B 23 -23.579 20.294 16.381 1.00 10.35 N ATOM 34 CA LEU B 23 -23.603 18.837 16.386 1.00 9.44 C ATOM 35 C LEU B 23 -24.932 18.317 16.904 1.00 10.36 C ATOM 36 O LEU B 23 -25.495 18.866 17.847 1.00 11.28 O ATOM 37 CB LEU B 23 -22.449 18.284 17.235 1.00 10.57 C ATOM 38 CG LEU B 23 -21.041 18.663 16.775 1.00 10.74 C ATOM 39 CD1 LEU B 23 -20.595 19.968 17.405 1.00 14.57 C ATOM 40 CD2 LEU B 23 -20.051 17.526 17.083 1.00 14.54 C ATOM 41 H LEU B 23 -23.680 20.799 17.284 1.00 0.00 H ATOM 42 N TYR B 24 -25.437 17.257 16.287 1.00 8.77 N ATOM 43 CA TYR B 24 -26.686 16.634 16.719 1.00 9.58 C ATOM 44 C TYR B 24 -26.360 15.235 17.228 1.00 8.03 C ATOM 45 O TYR B 24 -25.882 14.394 16.457 1.00 9.94 O ATOM 46 CB TYR B 24 -27.680 16.574 15.568 1.00 8.77 C ATOM 47 CG TYR B 24 -29.105 16.196 15.928 1.00 8.02 C ATOM 48 CD1 TYR B 24 -29.436 14.880 16.230 1.00 8.43 C ATOM 49 CD2 TYR B 24 -30.106 17.150 15.979 1.00 8.37 C ATOM 50 CE1 TYR B 24 -30.748 14.525 16.542 1.00 9.16 C ATOM 51 CE2 TYR B 24 -31.420 16.811 16.283 1.00 9.35 C ATOM 52 CZ TYR B 24 -31.730 15.501 16.572 1.00 11.60 C ATOM 53 OH TYR B 24 -33.045 15.182 16.862 1.00 10.98 O ATOM 54 HH TYR B 24 -33.115 14.212 17.048 1.00 0.00 H ATOM 55 H TYR B 24 -24.929 16.858 15.472 1.00 0.00 H ATOM 56 N PHE B 25 -26.591 14.996 18.517 1.00 8.10 N ATOM 57 CA PHE B 25 -26.347 13.695 19.125 1.00 7.71 C ATOM 58 C PHE B 25 -27.663 12.911 19.278 1.00 7.75 C ATOM 59 O PHE B 25 -28.640 13.440 19.804 1.00 8.35 O ATOM 60 CB PHE B 25 -25.686 13.828 20.505 1.00 9.07 C ATOM 61 CG PHE B 25 -25.594 12.519 21.215 1.00 8.74 C ATOM 62 CD1 PHE B 25 -24.654 11.582 20.816 1.00 9.58 C ATOM 63 CD2 PHE B 25 -26.505 12.195 22.208 1.00 11.26 C ATOM 64 CE1 PHE B 25 -24.610 10.311 21.425 1.00 11.35 C ATOM 65 CE2 PHE B 25 -26.454 10.948 22.825 1.00 14.71 C ATOM 66 CZ PHE B 25 -25.503 10.021 22.439 1.00 10.99 C ATOM 67 H PHE B 25 -26.959 15.766 19.111 1.00 0.00 H ATOM 68 N CYS B 26 -27.648 11.643 18.877 1.00 7.09 N ATOM 69 CA CYS B 26 -28.803 10.736 18.998 1.00 7.10 C ATOM 70 C CYS B 26 -28.500 9.584 19.930 1.00 7.54 C ATOM 71 O CYS B 26 -27.433 8.993 19.837 1.00 7.67 O ATOM 72 CB CYS B 26 -29.188 10.113 17.648 1.00 7.01 C ATOM 73 SG CYS B 26 -29.182 11.208 16.203 1.00 8.71 S ATOM 74 H CYS B 26 -26.773 11.271 18.455 1.00 0.00 H ATOM 75 N GLY B 27 -29.442 9.239 20.804 1.00 7.24 N ATOM 76 CA GLY B 27 -29.322 8.075 21.668 1.00 8.27 C ATOM 77 C GLY B 27 -30.701 7.685 22.185 1.00 6.37 C ATOM 78 O GLY B 27 -31.558 8.554 22.357 1.00 8.26 O ATOM 79 H GLY B 27 -30.298 9.825 20.872 1.00 0.00 H ATOM 80 N SER B 28 -30.903 6.398 22.460 1.00 7.03 N ATOM 81 CA SER B 28 -32.199 5.884 22.901 1.00 7.25 C ATOM 82 C SER B 28 -32.710 6.558 24.156 1.00 9.00 C ATOM 83 O SER B 28 -31.937 6.778 25.104 1.00 9.36 O ATOM 84 CB SER B 28 -32.070 4.392 23.165 1.00 7.30 C ATOM 85 OG SER B 28 -33.311 3.845 23.612 1.00 8.82 O ATOM 86 HG SER B 28 -33.586 4.295 24.450 1.00 0.00 H ATOM 87 H SER B 28 -30.110 5.734 22.357 1.00 0.00 H ATOM 88 N ILE B 29 -34.007 6.875 24.167 1.00 8.42 N ATOM 89 CA ILE B 29 -34.682 7.350 25.373 1.00 8.05 C ATOM 90 C ILE B 29 -35.831 6.391 25.679 1.00 9.07 C ATOM 91 O ILE B 29 -35.690 5.535 26.563 1.00 9.03 O ATOM 92 CB ILE B 29 -35.159 8.812 25.213 1.00 8.24 C ATOM 93 CG1 ILE B 29 -33.947 9.732 24.997 1.00 9.50 C ATOM 94 CG2 ILE B 29 -35.928 9.277 26.440 1.00 10.73 C ATOM 95 CD1 ILE B 29 -34.318 11.169 24.693 1.00 9.99 C ATOM 96 H ILE B 29 -34.555 6.781 23.288 1.00 0.00 H ATOM 97 N ARG B 30 -36.941 6.472 24.942 1.00 8.28 N ATOM 98 CA ARG B 30 -38.025 5.531 25.194 1.00 9.03 C ATOM 99 C ARG B 30 -37.705 4.120 24.691 1.00 8.67 C ATOM 100 O ARG B 30 -38.330 3.155 25.151 1.00 9.86 O ATOM 101 CB ARG B 30 -39.343 6.048 24.614 1.00 9.34 C ATOM 102 CG ARG B 30 -39.918 7.160 25.474 1.00 9.70 C ATOM 103 CD ARG B 30 -41.312 7.632 25.032 1.00 10.41 C ATOM 104 NE ARG B 30 -41.766 8.697 25.926 1.00 15.07 N ATOM 105 CZ ARG B 30 -42.657 9.634 25.610 1.00 24.61 C ATOM 106 NH1 ARG B 30 -42.978 10.566 26.504 1.00 24.01 N ATOM 107 NH2 ARG B 30 -43.213 9.660 24.403 1.00 16.61 N ATOM 108 HE ARG B 30 -41.361 8.724 26.883 1.00 0.00 H ATOM 109 HH12 ARG B 30 -43.674 11.301 26.263 1.00 0.00 H ATOM 110 HH11 ARG B 30 -42.533 10.560 27.444 1.00 0.00 H ATOM 111 HH22 ARG B 30 -43.908 10.397 24.166 1.00 0.00 H ATOM 112 HH21 ARG B 30 -42.953 8.944 23.695 1.00 0.00 H ATOM 113 H ARG B 30 -37.031 7.195 24.200 1.00 0.00 H ATOM 114 N GLY B 31 -36.702 3.977 23.826 1.00 9.17 N ATOM 115 CA GLY B 31 -36.186 2.655 23.510 1.00 8.40 C ATOM 116 C GLY B 31 -35.479 1.983 24.692 1.00 11.54 C ATOM 117 O GLY B 31 -35.290 0.756 24.687 1.00 11.27 O ATOM 118 H GLY B 31 -36.286 4.816 23.374 1.00 0.00 H ATOM 119 N GLY B 32 -35.111 2.764 25.712 1.00 8.77 N ATOM 120 CA GLY B 32 -34.425 2.243 26.897 1.00 8.92 C ATOM 121 C GLY B 32 -33.222 3.120 27.196 1.00 9.99 C ATOM 122 O GLY B 32 -32.554 3.568 26.267 1.00 10.72 O ATOM 123 H GLY B 32 -35.320 3.782 25.663 1.00 0.00 H ATOM 124 N ARG B 33 -32.958 3.371 28.478 1.00 10.65 N ATOM 125 CA ARG B 33 -31.922 4.345 28.853 1.00 9.28 C ATOM 126 C ARG B 33 -30.685 3.712 29.474 1.00 10.31 C ATOM 127 O ARG B 33 -29.942 4.395 30.175 1.00 10.67 O ATOM 128 CB ARG B 33 -32.504 5.395 29.802 1.00 11.86 C ATOM 129 CG ARG B 33 -33.771 6.060 29.241 1.00 12.17 C ATOM 130 CD ARG B 33 -34.033 7.403 29.891 1.00 15.26 C ATOM 131 NE ARG B 33 -33.081 8.419 29.423 1.00 13.28 N ATOM 132 CZ ARG B 33 -32.817 9.553 30.068 1.00 34.00 C ATOM 133 NH1 ARG B 33 -31.936 10.401 29.531 1.00 14.20 N ATOM 134 NH2 ARG B 33 -33.421 9.829 31.238 1.00 18.28 N ATOM 135 HE ARG B 33 -32.580 8.241 28.529 1.00 0.00 H ATOM 136 HH12 ARG B 33 -31.712 11.294 30.015 1.00 0.00 H ATOM 137 HH11 ARG B 33 -31.474 10.168 28.629 1.00 0.00 H ATOM 138 HH22 ARG B 33 -33.209 10.717 31.736 1.00 0.00 H ATOM 139 HH21 ARG B 33 -34.100 9.154 31.645 1.00 0.00 H ATOM 140 H ARG B 33 -33.490 2.873 29.220 1.00 0.00 H ATOM 141 N GLU B 34 -30.442 2.433 29.184 1.00 11.95 N ATOM 142 CA GLU B 34 -29.297 1.686 29.746 1.00 12.26 C ATOM 143 C GLU B 34 -27.949 2.391 29.541 1.00 9.99 C ATOM 144 O GLU B 34 -27.063 2.294 30.390 1.00 10.68 O ATOM 145 CB GLU B 34 -29.232 0.286 29.127 1.00 23.38 C ATOM 146 CG GLU B 34 -30.404 -0.618 29.478 1.00 33.30 C ATOM 147 CD GLU B 34 -31.539 -0.568 28.463 1.00 13.88 C ATOM 148 OE1 GLU B 34 -31.647 0.416 27.708 1.00 13.39 O ATOM 149 OE2 GLU B 34 -32.324 -1.540 28.433 1.00 14.74 O ATOM 150 H GLU B 34 -31.087 1.940 28.534 1.00 0.00 H ATOM 151 N ASP B 35 -27.799 3.066 28.404 1.00 9.55 N ATOM 152 CA ASP B 35 -26.508 3.636 28.030 1.00 10.12 C ATOM 153 C ASP B 35 -26.397 5.130 28.331 1.00 11.72 C ATOM 154 O ASP B 35 -25.516 5.794 27.800 1.00 11.11 O ATOM 155 CB ASP B 35 -26.234 3.385 26.533 1.00 9.02 C ATOM 156 CG ASP B 35 -26.006 1.901 26.214 1.00 10.29 C ATOM 157 OD1 ASP B 35 -25.653 1.127 27.125 1.00 14.11 O ATOM 158 OD2 ASP B 35 -26.141 1.514 25.023 1.00 12.12 O ATOM 159 H ASP B 35 -28.615 3.190 27.771 1.00 0.00 H ATOM 160 N ARG B 36 -27.260 5.656 29.195 1.00 10.25 N ATOM 161 CA ARG B 36 -27.294 7.099 29.427 1.00 10.32 C ATOM 162 C ARG B 36 -25.958 7.685 29.894 1.00 12.45 C ATOM 163 O ARG B 36 -25.583 8.788 29.482 1.00 11.58 O ATOM 164 CB ARG B 36 -28.388 7.450 30.444 1.00 12.43 C ATOM 165 CG ARG B 36 -28.703 8.957 30.479 1.00 12.86 C ATOM 166 CD ARG B 36 -29.544 9.331 31.689 1.00 14.77 C ATOM 167 NE ARG B 36 -28.887 8.988 32.953 1.00 14.99 N ATOM 168 CZ ARG B 36 -27.880 9.669 33.495 1.00 16.05 C ATOM 169 NH1 ARG B 36 -27.397 10.754 32.901 1.00 18.57 N ATOM 170 NH2 ARG B 36 -27.359 9.262 34.642 1.00 22.19 N ATOM 171 HE ARG B 36 -29.233 8.151 33.464 1.00 0.00 H ATOM 172 HH12 ARG B 36 -26.610 11.277 33.335 1.00 0.00 H ATOM 173 HH11 ARG B 36 -27.806 11.080 32.002 1.00 0.00 H ATOM 174 HH22 ARG B 36 -26.572 9.789 35.072 1.00 0.00 H ATOM 175 HH21 ARG B 36 -27.737 8.415 35.113 1.00 0.00 H ATOM 176 H ARG B 36 -27.917 5.035 29.710 1.00 0.00 H ATOM 177 N THR B 37 -25.237 6.979 30.754 1.00 12.66 N ATOM 178 CA THR B 37 -23.964 7.498 31.259 1.00 13.52 C ATOM 179 C THR B 37 -22.940 7.606 30.124 1.00 12.34 C ATOM 180 O THR B 37 -22.135 8.536 30.086 1.00 15.36 O ATOM 181 CB THR B 37 -23.392 6.627 32.384 1.00 16.62 C ATOM 182 OG1 THR B 37 -23.163 5.299 31.902 1.00 31.06 O ATOM 183 CG2 THR B 37 -24.354 6.588 33.552 1.00 21.35 C ATOM 184 HG1 THR B 37 -24.018 4.910 31.590 1.00 0.00 H ATOM 185 H THR B 37 -25.578 6.050 31.072 1.00 0.00 H ATOM 186 N LEU B 38 -22.984 6.667 29.197 1.00 11.15 N ATOM 187 CA LEU B 38 -22.163 6.753 27.999 1.00 12.12 C ATOM 188 C LEU B 38 -22.581 7.932 27.115 1.00 12.42 C ATOM 189 O LEU B 38 -21.729 8.654 26.589 1.00 12.14 O ATOM 190 CB LEU B 38 -22.265 5.445 27.239 1.00 15.16 C ATOM 191 CG LEU B 38 -21.378 5.250 26.029 1.00 12.22 C ATOM 192 CD1 LEU B 38 -19.900 5.390 26.401 1.00 13.39 C ATOM 193 CD2 LEU B 38 -21.684 3.877 25.488 1.00 19.36 C ATOM 194 H LEU B 38 -23.617 5.852 29.325 1.00 0.00 H ATOM 195 N TYR B 39 -23.883 8.155 26.967 1.00 10.37 N ATOM 196 CA TYR B 39 -24.356 9.314 26.206 1.00 9.82 C ATOM 197 C TYR B 39 -23.818 10.606 26.819 1.00 9.97 C ATOM 198 O TYR B 39 -23.412 11.538 26.116 1.00 11.24 O ATOM 199 CB TYR B 39 -25.884 9.374 26.163 1.00 8.47 C ATOM 200 CG TYR B 39 -26.590 8.162 25.576 1.00 9.35 C ATOM 201 CD1 TYR B 39 -25.917 7.212 24.812 1.00 9.81 C ATOM 202 CD2 TYR B 39 -27.956 7.985 25.780 1.00 9.72 C ATOM 203 CE1 TYR B 39 -26.594 6.105 24.273 1.00 9.30 C ATOM 204 CE2 TYR B 39 -28.639 6.900 25.259 1.00 9.07 C ATOM 205 CZ TYR B 39 -27.975 5.958 24.505 1.00 8.91 C ATOM 206 OH TYR B 39 -28.678 4.879 24.021 1.00 8.47 O ATOM 207 HH TYR B 39 -28.069 4.295 23.503 1.00 0.00 H ATOM 208 H TYR B 39 -24.571 7.502 27.394 1.00 0.00 H ATOM 209 N GLU B 40 -23.856 10.676 28.144 1.00 10.31 N ATOM 210 CA GLU B 40 -23.297 11.797 28.876 1.00 11.22 C ATOM 211 C GLU B 40 -21.841 12.086 28.484 1.00 12.39 C ATOM 212 O GLU B 40 -21.463 13.234 28.230 1.00 13.02 O ATOM 213 CB GLU B 40 -23.398 11.482 30.357 1.00 15.83 C ATOM 214 CG GLU B 40 -23.333 12.627 31.310 1.00 11.38 C ATOM 215 CD GLU B 40 -23.576 12.147 32.726 1.00 13.21 C ATOM 216 OE1 GLU B 40 -22.816 11.271 33.181 1.00 13.30 O ATOM 217 OE2 GLU B 40 -24.549 12.595 33.367 1.00 19.44 O ATOM 218 H GLU B 40 -24.302 9.901 28.675 1.00 0.00 H ATOM 219 N ARG B 41 -21.022 11.038 28.469 1.00 11.12 N ATOM 220 CA ARG B 41 -19.618 11.161 28.055 1.00 10.87 C ATOM 221 C ARG B 41 -19.467 11.614 26.608 1.00 10.97 C ATOM 222 O ARG B 41 -18.591 12.419 26.282 1.00 12.12 O ATOM 223 CB ARG B 41 -18.896 9.820 28.240 1.00 12.71 C ATOM 224 CG ARG B 41 -18.550 9.510 29.688 1.00 13.40 C ATOM 225 CD ARG B 41 -18.066 8.073 29.828 1.00 14.89 C ATOM 226 NE ARG B 41 -16.920 7.770 28.961 1.00 15.33 N ATOM 227 CZ ARG B 41 -16.509 6.536 28.687 1.00 29.44 C ATOM 228 NH1 ARG B 41 -15.453 6.337 27.914 1.00 17.64 N ATOM 229 NH2 ARG B 41 -17.158 5.496 29.184 1.00 16.11 N ATOM 230 HE ARG B 41 -16.401 8.566 28.538 1.00 0.00 H ATOM 231 HH12 ARG B 41 -15.137 5.369 27.704 1.00 0.00 H ATOM 232 HH11 ARG B 41 -14.939 7.149 27.517 1.00 0.00 H ATOM 233 HH22 ARG B 41 -16.836 4.531 28.969 1.00 0.00 H ATOM 234 HH21 ARG B 41 -17.990 5.644 29.790 1.00 0.00 H ATOM 235 H ARG B 41 -21.385 10.107 28.758 1.00 0.00 H ATOM 236 N ILE B 42 -20.276 11.048 25.727 1.00 8.79 N ATOM 237 CA ILE B 42 -20.175 11.372 24.317 1.00 9.73 C ATOM 238 C ILE B 42 -20.538 12.833 24.085 1.00 11.61 C ATOM 239 O ILE B 42 -19.794 13.556 23.416 1.00 10.97 O ATOM 240 CB ILE B 42 -21.053 10.452 23.481 1.00 8.67 C ATOM 241 CG1 ILE B 42 -20.442 9.031 23.539 1.00 7.49 C ATOM 242 CG2 ILE B 42 -21.142 10.957 22.037 1.00 9.42 C ATOM 243 CD1 ILE B 42 -21.372 7.950 22.964 1.00 9.97 C ATOM 244 H ILE B 42 -20.991 10.365 26.049 1.00 0.00 H ATOM 245 N VAL B 43 -21.666 13.271 24.643 1.00 9.10 N ATOM 246 CA VAL B 43 -22.068 14.673 24.545 1.00 8.75 C ATOM 247 C VAL B 43 -20.977 15.611 25.068 1.00 11.24 C ATOM 248 O VAL B 43 -20.635 16.592 24.405 1.00 12.71 O ATOM 249 CB VAL B 43 -23.407 14.907 25.304 1.00 9.95 C ATOM 250 CG1 VAL B 43 -23.691 16.409 25.525 1.00 10.16 C ATOM 251 CG2 VAL B 43 -24.570 14.222 24.554 1.00 9.92 C ATOM 252 H VAL B 43 -22.273 12.602 25.159 1.00 0.00 H ATOM 253 N SER B 44 -20.406 15.295 26.225 1.00 9.99 N ATOM 254 CA SER B 44 -19.364 16.142 26.781 1.00 11.57 C ATOM 255 C SER B 44 -18.172 16.297 25.831 1.00 11.81 C ATOM 256 O SER B 44 -17.632 17.398 25.684 1.00 15.51 O ATOM 257 CB SER B 44 -18.909 15.574 28.113 1.00 11.76 C ATOM 258 OG SER B 44 -17.904 16.395 28.714 1.00 18.10 O ATOM 259 HG SER B 44 -17.121 16.450 28.111 1.00 0.00 H ATOM 260 H SER B 44 -20.705 14.439 26.734 1.00 0.00 H ATOM 261 N ARG B 45 -17.770 15.204 25.190 1.00 11.53 N ATOM 262 CA ARG B 45 -16.638 15.266 24.275 1.00 10.93 C ATOM 263 C ARG B 45 -17.002 15.989 22.986 1.00 12.53 C ATOM 264 O ARG B 45 -16.198 16.792 22.486 1.00 12.85 O ATOM 265 CB ARG B 45 -16.121 13.858 23.957 1.00 12.96 C ATOM 266 CG ARG B 45 -14.743 13.825 23.288 1.00 15.23 C ATOM 267 CD ARG B 45 -13.744 14.601 24.124 1.00 23.29 C ATOM 268 NE ARG B 45 -12.373 14.179 23.880 1.00 44.95 N ATOM 269 CZ ARG B 45 -11.517 13.869 24.842 1.00 30.66 C ATOM 270 NH1 ARG B 45 -11.886 13.961 26.118 1.00 21.13 N ATOM 271 NH2 ARG B 45 -10.283 13.493 24.537 1.00 40.59 N ATOM 272 HE ARG B 45 -12.047 14.117 22.894 1.00 0.00 H ATOM 273 HH12 ARG B 45 -11.213 13.717 26.873 1.00 0.00 H ATOM 274 HH11 ARG B 45 -12.847 14.276 26.360 1.00 0.00 H ATOM 275 HH22 ARG B 45 -9.612 13.250 25.293 1.00 0.00 H ATOM 276 HH21 ARG B 45 -9.986 13.441 23.542 1.00 0.00 H ATOM 277 H ARG B 45 -18.265 14.302 25.342 1.00 0.00 H ATOM 278 N LEU B 46 -18.204 15.752 22.476 1.00 11.05 N ATOM 279 CA LEU B 46 -18.643 16.439 21.262 1.00 11.52 C ATOM 280 C LEU B 46 -18.632 17.966 21.422 1.00 15.16 C ATOM 281 O LEU B 46 -18.367 18.688 20.462 1.00 12.77 O ATOM 282 CB LEU B 46 -20.034 15.980 20.859 1.00 11.70 C ATOM 283 CG LEU B 46 -20.139 14.543 20.355 1.00 8.77 C ATOM 284 CD1 LEU B 46 -21.564 14.243 20.010 1.00 11.85 C ATOM 285 CD2 LEU B 46 -19.269 14.371 19.115 1.00 13.28 C ATOM 286 H LEU B 46 -18.838 15.073 22.943 1.00 0.00 H ATOM 287 N ARG B 47 -18.928 18.453 22.623 1.00 12.86 N ATOM 288 CA ARG B 47 -18.959 19.898 22.850 1.00 12.95 C ATOM 289 C ARG B 47 -17.608 20.578 22.561 1.00 12.30 C ATOM 290 O ARG B 47 -17.544 21.783 22.292 1.00 13.04 O ATOM 291 CB ARG B 47 -19.274 20.220 24.319 1.00 19.82 C ATOM 292 CG ARG B 47 -20.520 19.657 24.957 1.00 11.48 C ATOM 293 CD ARG B 47 -20.635 20.278 26.363 1.00 16.53 C ATOM 294 NE ARG B 47 -21.617 19.630 27.230 1.00 12.12 N ATOM 295 CZ ARG B 47 -22.934 19.766 27.099 1.00 11.84 C ATOM 296 NH1 ARG B 47 -23.761 19.159 27.941 1.00 15.53 N ATOM 297 NH2 ARG B 47 -23.424 20.516 26.117 1.00 12.15 N ATOM 298 HE ARG B 47 -21.264 19.024 27.998 1.00 0.00 H ATOM 299 HH12 ARG B 47 -24.789 19.271 27.831 1.00 0.00 H ATOM 300 HH11 ARG B 47 -23.381 18.572 28.710 1.00 0.00 H ATOM 301 HH22 ARG B 47 -24.453 20.626 26.010 1.00 0.00 H ATOM 302 HH21 ARG B 47 -22.779 20.993 25.456 1.00 0.00 H ATOM 303 H ARG B 47 -19.139 17.802 23.406 1.00 0.00 H ATOM 304 N ARG B 48 -16.517 19.830 22.679 1.00 12.34 N ATOM 305 CA ARG B 48 -15.212 20.392 22.346 1.00 13.21 C ATOM 306 C ARG B 48 -15.152 20.834 20.883 1.00 14.86 C ATOM 307 O ARG B 48 -14.320 21.670 20.520 1.00 17.15 O ATOM 308 CB ARG B 48 -14.102 19.380 22.638 1.00 16.01 C ATOM 309 CG ARG B 48 -14.037 18.973 24.103 1.00 22.39 C ATOM 310 CD ARG B 48 -12.780 18.172 24.374 1.00 20.69 C ATOM 311 NE ARG B 48 -12.570 17.928 25.798 1.00 24.33 N ATOM 312 CZ ARG B 48 -11.470 17.379 26.302 1.00 40.82 C ATOM 313 NH1 ARG B 48 -11.359 17.193 27.611 1.00 38.90 N ATOM 314 NH2 ARG B 48 -10.480 17.013 25.496 1.00 26.67 N ATOM 315 HE ARG B 48 -13.327 18.200 26.457 1.00 0.00 H ATOM 316 HH12 ARG B 48 -10.497 16.763 28.004 1.00 0.00 H ATOM 317 HH11 ARG B 48 -12.134 17.477 28.244 1.00 0.00 H ATOM 318 HH22 ARG B 48 -9.619 16.583 25.891 1.00 0.00 H ATOM 319 HH21 ARG B 48 -10.565 17.156 24.469 1.00 0.00 H ATOM 320 H ARG B 48 -16.592 18.846 23.008 1.00 0.00 H ATOM 321 N PHE B 49 -16.035 20.286 20.052 1.00 13.89 N ATOM 322 CA PHE B 49 -15.991 20.550 18.608 1.00 12.88 C ATOM 323 C PHE B 49 -17.078 21.500 18.110 1.00 17.41 C ATOM 324 O PHE B 49 -17.020 21.996 16.982 1.00 16.78 O ATOM 325 CB PHE B 49 -16.037 19.221 17.855 1.00 14.87 C ATOM 326 CG PHE B 49 -14.940 18.293 18.258 1.00 14.86 C ATOM 327 CD1 PHE B 49 -13.650 18.522 17.822 1.00 17.34 C ATOM 328 CD2 PHE B 49 -15.179 17.225 19.107 1.00 17.57 C ATOM 329 CE1 PHE B 49 -12.610 17.697 18.215 1.00 19.51 C ATOM 330 CE2 PHE B 49 -14.136 16.394 19.507 1.00 17.63 C ATOM 331 CZ PHE B 49 -12.857 16.636 19.061 1.00 23.23 C ATOM 332 H PHE B 49 -16.771 19.658 20.433 1.00 0.00 H ATOM 333 N GLY B 50 -18.060 21.785 18.958 1.00 14.72 N ATOM 334 CA GLY B 50 -19.093 22.742 18.603 1.00 17.20 C ATOM 335 C GLY B 50 -20.277 22.614 19.531 1.00 15.10 C ATOM 336 O GLY B 50 -20.220 21.897 20.522 1.00 17.29 O ATOM 337 H GLY B 50 -18.089 21.318 19.887 1.00 0.00 H ATOM 338 N THR B 51 -21.368 23.287 19.195 1.00 13.72 N ATOM 339 CA THR B 51 -22.568 23.271 20.030 1.00 14.88 C ATOM 340 C THR B 51 -23.307 21.952 19.871 1.00 12.72 C ATOM 341 O THR B 51 -23.638 21.558 18.750 1.00 13.02 O ATOM 342 CB THR B 51 -23.525 24.427 19.665 1.00 16.99 C ATOM 343 OG1 THR B 51 -22.822 25.677 19.717 1.00 19.34 O ATOM 344 CG2 THR B 51 -24.697 24.471 20.631 1.00 17.52 C ATOM 345 HG1 THR B 51 -22.471 25.819 20.632 1.00 0.00 H ATOM 346 H THR B 51 -21.371 23.841 18.315 1.00 0.00 H ATOM 347 N VAL B 52 -23.569 21.248 20.970 1.00 11.55 N ATOM 348 CA VAL B 52 -24.341 20.008 20.928 1.00 11.21 C ATOM 349 C VAL B 52 -25.814 20.339 21.169 1.00 13.03 C ATOM 350 O VAL B 52 -26.239 20.597 22.296 1.00 14.63 O ATOM 351 CB VAL B 52 -23.840 18.964 21.952 1.00 10.55 C ATOM 352 CG1 VAL B 52 -24.620 17.670 21.821 1.00 13.36 C ATOM 353 CG2 VAL B 52 -22.334 18.709 21.760 1.00 11.49 C ATOM 354 H VAL B 52 -23.214 21.591 21.885 1.00 0.00 H ATOM 355 N LEU B 53 -26.598 20.342 20.097 1.00 11.56 N ATOM 356 CA LEU B 53 -27.955 20.870 20.173 1.00 12.78 C ATOM 357 C LEU B 53 -28.888 20.024 21.030 1.00 10.52 C ATOM 358 O LEU B 53 -29.846 20.543 21.600 1.00 12.73 O ATOM 359 CB LEU B 53 -28.526 21.007 18.766 1.00 16.14 C ATOM 360 CG LEU B 53 -27.743 21.978 17.874 1.00 16.41 C ATOM 361 CD1 LEU B 53 -28.198 21.837 16.422 1.00 18.48 C ATOM 362 CD2 LEU B 53 -27.891 23.413 18.368 1.00 17.24 C ATOM 363 H LEU B 53 -26.241 19.965 19.196 1.00 0.00 H ATOM 364 N THR B 54 -28.607 18.728 21.108 1.00 10.88 N ATOM 365 CA THR B 54 -29.483 17.773 21.776 1.00 10.27 C ATOM 366 C THR B 54 -28.918 17.335 23.125 1.00 12.60 C ATOM 367 O THR B 54 -29.176 16.220 23.577 1.00 16.89 O ATOM 368 CB THR B 54 -29.682 16.523 20.920 1.00 9.46 C ATOM 369 OG1 THR B 54 -28.401 15.995 20.564 1.00 11.67 O ATOM 370 CG2 THR B 54 -30.465 16.840 19.649 1.00 13.16 C ATOM 371 HG1 THR B 54 -28.522 15.184 20.009 1.00 0.00 H ATOM 372 H THR B 54 -27.727 18.381 20.675 1.00 0.00 H ATOM 373 N GLU B 55 -28.135 18.200 23.759 1.00 11.67 N ATOM 374 CA GLU B 55 -27.360 17.788 24.934 1.00 20.96 C ATOM 375 C GLU B 55 -28.142 17.244 26.144 1.00 24.45 C ATOM 376 O GLU B 55 -27.540 16.950 27.167 1.00 50.72 O ATOM 377 CB GLU B 55 -26.460 18.950 25.401 1.00 14.04 C ATOM 378 CG GLU B 55 -27.176 20.258 25.645 1.00 26.49 C ATOM 379 CD GLU B 55 -26.208 21.365 26.002 1.00 41.05 C ATOM 380 OE1 GLU B 55 -25.545 21.243 27.049 1.00 34.56 O ATOM 381 OE2 GLU B 55 -26.089 22.344 25.236 1.00 59.48 O ATOM 382 H GLU B 55 -28.071 19.181 23.419 1.00 0.00 H ATOM 383 N HIS B 56 -29.454 17.072 26.048 1.00 54.64 N ATOM 384 CA HIS B 56 -30.092 16.280 27.092 1.00 45.72 C ATOM 385 C HIS B 56 -30.899 15.083 26.591 1.00 32.15 C ATOM 386 O HIS B 56 -31.976 14.783 27.093 1.00 43.69 O ATOM 387 CB HIS B 56 -30.942 17.168 28.002 1.00 33.68 C ATOM 388 CG HIS B 56 -32.019 17.931 27.305 1.00 58.16 C ATOM 389 ND1 HIS B 56 -33.219 17.363 26.928 1.00 81.57 N ATOM 390 CD2 HIS B 56 -32.091 19.233 26.937 1.00 56.26 C ATOM 391 CE1 HIS B 56 -33.976 18.277 26.353 1.00 55.94 C ATOM 392 NE2 HIS B 56 -33.313 19.423 26.343 1.00 79.89 N ATOM 393 H HIS B 56 -30.001 17.483 25.265 1.00 0.00 H ATOM 394 N VAL B 57 -30.327 14.369 25.623 1.00 48.69 N ATOM 395 CA VAL B 57 -30.599 12.943 25.466 1.00 28.03 C ATOM 396 C VAL B 57 -29.945 12.268 26.682 1.00 50.87 C ATOM 397 O VAL B 57 -30.263 11.128 27.043 1.00 22.10 O ATOM 398 CB VAL B 57 -30.019 12.355 24.141 1.00 45.13 C ATOM 399 CG1 VAL B 57 -30.409 10.871 23.957 1.00 16.58 C ATOM 400 CG2 VAL B 57 -30.468 13.173 22.933 1.00 39.79 C ATOM 401 H VAL B 57 -29.672 14.837 24.965 1.00 0.00 H ATOM 402 N ALA B 58 -29.027 13.002 27.314 1.00 24.94 N ATOM 403 CA ALA B 58 -28.209 12.470 28.402 1.00 18.48 C ATOM 404 C ALA B 58 -28.720 12.777 29.819 1.00 15.03 C ATOM 405 O ALA B 58 -28.182 12.256 30.777 1.00 15.28 O ATOM 406 CB ALA B 58 -26.778 12.985 28.255 1.00 19.48 C ATOM 407 H ALA B 58 -28.888 13.990 27.021 1.00 0.00 H ATOM 408 N ALA B 59 -29.730 13.626 29.962 1.00 17.80 N ATOM 409 CA ALA B 59 -30.195 14.032 31.289 1.00 22.34 C ATOM 410 C ALA B 59 -30.883 12.908 32.086 1.00 19.45 C ATOM 411 O ALA B 59 -31.728 12.204 31.544 1.00 18.65 O ATOM 412 CB ALA B 59 -31.140 15.216 31.159 1.00 38.01 C ATOM 413 H ALA B 59 -30.199 14.009 29.117 1.00 0.00 H ATOM 414 N ALA B 60 -30.547 12.765 33.371 1.00 17.67 N ATOM 415 CA ALA B 60 -31.063 11.656 34.191 1.00 16.71 C ATOM 416 C ALA B 60 -32.570 11.708 34.386 1.00 28.53 C ATOM 417 O ALA B 60 -33.252 10.687 34.350 1.00 26.36 O ATOM 418 CB ALA B 60 -30.376 11.631 35.558 1.00 24.22 C ATOM 419 H ALA B 60 -29.903 13.457 33.805 1.00 0.00 H ATOM 420 N GLU B 61 -33.089 12.897 34.635 1.00 22.54 N ATOM 421 CA GLU B 61 -34.518 13.020 34.872 1.00 19.54 C ATOM 422 C GLU B 61 -35.131 13.634 33.631 1.00 45.22 C ATOM 423 O GLU B 61 -35.068 14.844 33.415 1.00 43.17 O ATOM 424 CB GLU B 61 -34.801 13.848 36.121 1.00 18.85 C ATOM 425 CG GLU B 61 -34.275 13.226 37.410 1.00 17.56 C ATOM 426 CD GLU B 61 -34.190 14.233 38.539 1.00 24.48 C ATOM 427 OE1 GLU B 61 -33.380 15.179 38.429 1.00 20.34 O ATOM 428 OE2 GLU B 61 -34.950 14.102 39.527 1.00 23.18 O ATOM 429 H GLU B 61 -32.479 13.739 34.661 1.00 0.00 H ATOM 430 N LEU B 62 -35.681 12.759 32.799 1.00 34.50 N ATOM 431 CA LEU B 62 -36.229 13.125 31.504 1.00 30.58 C ATOM 432 C LEU B 62 -37.653 12.616 31.377 1.00 47.62 C ATOM 433 O LEU B 62 -37.933 11.471 31.729 1.00 70.84 O ATOM 434 CB LEU B 62 -35.361 12.557 30.381 1.00 28.83 C ATOM 435 CG LEU B 62 -34.692 13.565 29.457 1.00 37.05 C ATOM 436 CD1 LEU B 62 -34.111 12.831 28.267 1.00 55.06 C ATOM 437 CD2 LEU B 62 -35.701 14.595 28.992 1.00 53.96 C ATOM 438 H LEU B 62 -35.722 11.761 33.088 1.00 0.00 H TER 439 LEU B 62 ATOM 440 N GLY B 72 -46.727 16.836 24.735 1.00 55.50 N ATOM 441 CA GLY B 72 -46.173 17.657 23.675 1.00 41.66 C ATOM 442 C GLY B 72 -45.135 16.933 22.836 1.00 18.85 C ATOM 443 O GLY B 72 -44.038 17.444 22.613 1.00 18.85 O ATOM 444 HN3 GLY B 72 -45.963 16.533 25.373 1.00 0.00 H ATOM 445 HN2 GLY B 72 -47.186 16.000 24.320 1.00 0.00 H ATOM 446 HN1 GLY B 72 -47.428 17.388 25.269 1.00 0.00 H ATOM 447 N ASP B 73 -45.476 15.737 22.374 1.00 24.48 N ATOM 448 CA ASP B 73 -44.579 15.007 21.497 1.00 16.72 C ATOM 449 C ASP B 73 -44.384 15.771 20.191 1.00 15.26 C ATOM 450 O ASP B 73 -43.306 15.732 19.611 1.00 15.06 O ATOM 451 CB ASP B 73 -45.100 13.595 21.225 1.00 18.41 C ATOM 452 CG ASP B 73 -45.080 12.719 22.463 1.00 32.80 C ATOM 453 OD1 ASP B 73 -45.433 11.526 22.360 1.00 21.04 O ATOM 454 OD2 ASP B 73 -44.704 13.223 23.541 1.00 31.23 O ATOM 455 H ASP B 73 -46.391 15.320 22.642 1.00 0.00 H ATOM 456 N ARG B 74 -45.425 16.460 19.730 1.00 18.15 N ATOM 457 CA ARG B 74 -45.307 17.283 18.524 1.00 19.02 C ATOM 458 C ARG B 74 -44.264 18.380 18.691 1.00 16.26 C ATOM 459 O ARG B 74 -43.436 18.591 17.799 1.00 15.49 O ATOM 460 CB ARG B 74 -46.659 17.917 18.198 1.00 20.64 C ATOM 461 CG ARG B 74 -46.702 18.726 16.922 1.00 20.00 C ATOM 462 CD ARG B 74 -45.995 18.026 15.791 1.00 25.03 C ATOM 463 NE ARG B 74 -46.479 18.499 14.499 1.00 32.85 N ATOM 464 CZ ARG B 74 -46.209 17.925 13.332 1.00 23.31 C ATOM 465 NH1 ARG B 74 -45.453 16.838 13.272 1.00 16.44 N ATOM 466 NH2 ARG B 74 -46.703 18.441 12.219 1.00 32.10 N ATOM 467 HE ARG B 74 -47.080 19.348 14.491 1.00 0.00 H ATOM 468 HH12 ARG B 74 -45.248 16.397 12.353 1.00 0.00 H ATOM 469 HH11 ARG B 74 -45.065 16.426 14.144 1.00 0.00 H ATOM 470 HH22 ARG B 74 -46.495 17.996 11.302 1.00 0.00 H ATOM 471 HH21 ARG B 74 -47.300 19.292 12.260 1.00 0.00 H ATOM 472 H ARG B 74 -46.334 16.414 20.233 1.00 0.00 H ATOM 473 N LEU B 75 -44.274 19.051 19.840 1.00 15.94 N ATOM 474 CA LEU B 75 -43.292 20.101 20.110 1.00 16.07 C ATOM 475 C LEU B 75 -41.870 19.537 20.144 1.00 13.66 C ATOM 476 O LEU B 75 -40.941 20.153 19.626 1.00 18.04 O ATOM 477 CB LEU B 75 -43.587 20.807 21.439 1.00 18.46 C ATOM 478 CG LEU B 75 -44.911 21.565 21.545 1.00 35.16 C ATOM 479 CD1 LEU B 75 -45.068 22.199 22.927 1.00 36.03 C ATOM 480 CD2 LEU B 75 -45.009 22.615 20.450 1.00 30.56 C ATOM 481 H LEU B 75 -44.992 18.825 20.558 1.00 0.00 H ATOM 482 N ILE B 76 -41.712 18.367 20.749 1.00 13.96 N ATOM 483 CA ILE B 76 -40.414 17.704 20.781 1.00 13.95 C ATOM 484 C ILE B 76 -39.925 17.427 19.360 1.00 12.87 C ATOM 485 O ILE B 76 -38.790 17.731 19.009 1.00 13.92 O ATOM 486 CB ILE B 76 -40.487 16.380 21.578 1.00 13.98 C ATOM 487 CG1 ILE B 76 -40.758 16.663 23.059 1.00 18.94 C ATOM 488 CG2 ILE B 76 -39.198 15.587 21.436 1.00 12.57 C ATOM 489 CD1 ILE B 76 -41.497 15.528 23.752 1.00 29.25 C ATOM 490 H ILE B 76 -42.528 17.915 21.208 1.00 0.00 H ATOM 491 N HIS B 77 -40.776 16.806 18.555 1.00 11.73 N ATOM 492 CA HIS B 77 -40.398 16.468 17.184 1.00 11.96 C ATOM 493 C HIS B 77 -40.023 17.725 16.370 1.00 10.65 C ATOM 494 O HIS B 77 -39.013 17.723 15.648 1.00 10.95 O ATOM 495 CB HIS B 77 -41.547 15.707 16.495 1.00 12.75 C ATOM 496 CG HIS B 77 -41.307 15.415 15.040 1.00 10.37 C ATOM 497 ND1 HIS B 77 -41.621 16.314 14.036 1.00 11.31 N ATOM 498 CD2 HIS B 77 -40.796 14.329 14.422 1.00 9.52 C ATOM 499 CE1 HIS B 77 -41.286 15.794 12.867 1.00 11.20 C ATOM 500 NE2 HIS B 77 -40.783 14.585 13.072 1.00 11.30 N ATOM 501 H HIS B 77 -41.724 16.556 18.903 1.00 0.00 H ATOM 502 N GLU B 78 -40.818 18.787 16.489 1.00 12.04 N ATOM 503 CA GLU B 78 -40.552 19.994 15.711 1.00 12.75 C ATOM 504 C GLU B 78 -39.239 20.663 16.130 1.00 12.52 C ATOM 505 O GLU B 78 -38.452 21.068 15.283 1.00 14.35 O ATOM 506 CB GLU B 78 -41.716 20.978 15.838 1.00 16.14 C ATOM 507 CG GLU B 78 -43.032 20.432 15.260 1.00 19.17 C ATOM 508 CD GLU B 78 -42.959 20.130 13.762 1.00 36.23 C ATOM 509 OE1 GLU B 78 -42.651 18.978 13.378 1.00 18.21 O ATOM 510 OE2 GLU B 78 -43.223 21.050 12.960 1.00 40.44 O ATOM 511 H GLU B 78 -41.630 18.757 17.138 1.00 0.00 H ATOM 512 N GLN B 79 -38.997 20.779 17.429 1.00 12.08 N ATOM 513 CA GLN B 79 -37.722 21.354 17.865 1.00 12.36 C ATOM 514 C GLN B 79 -36.534 20.494 17.444 1.00 11.54 C ATOM 515 O GLN B 79 -35.510 21.008 16.991 1.00 12.59 O ATOM 516 CB GLN B 79 -37.685 21.550 19.376 1.00 15.11 C ATOM 517 CG GLN B 79 -36.335 22.119 19.862 1.00 17.11 C ATOM 518 CD GLN B 79 -36.043 23.526 19.331 1.00 44.56 C ATOM 519 OE1 GLN B 79 -36.451 24.520 19.932 1.00 47.27 O ATOM 520 NE2 GLN B 79 -35.320 23.610 18.210 1.00 18.25 N ATOM 521 HE22 GLN B 79 -34.996 22.744 17.734 1.00 0.00 H ATOM 522 HE21 GLN B 79 -35.082 24.541 17.813 1.00 0.00 H ATOM 523 H GLN B 79 -39.702 20.467 18.127 1.00 0.00 H ATOM 524 N ASP B 80 -36.660 19.178 17.570 1.00 11.34 N ATOM 525 CA ASP B 80 -35.557 18.297 17.170 1.00 10.25 C ATOM 526 C ASP B 80 -35.294 18.417 15.674 1.00 11.01 C ATOM 527 O ASP B 80 -34.137 18.442 15.236 1.00 10.74 O ATOM 528 CB ASP B 80 -35.842 16.841 17.531 1.00 9.51 C ATOM 529 CG ASP B 80 -35.558 16.523 18.995 1.00 15.94 C ATOM 530 OD1 ASP B 80 -35.236 17.442 19.776 1.00 15.37 O ATOM 531 OD2 ASP B 80 -35.680 15.336 19.368 1.00 11.81 O ATOM 532 H ASP B 80 -37.539 18.773 17.951 1.00 0.00 H ATOM 533 N LEU B 81 -36.366 18.497 14.883 1.00 10.55 N ATOM 534 CA LEU B 81 -36.189 18.582 13.438 1.00 12.55 C ATOM 535 C LEU B 81 -35.549 19.905 13.019 1.00 11.30 C ATOM 536 O LEU B 81 -34.780 19.928 12.063 1.00 13.40 O ATOM 537 CB LEU B 81 -37.524 18.358 12.709 1.00 14.03 C ATOM 538 CG LEU B 81 -37.559 16.961 12.065 1.00 13.54 C ATOM 539 CD1 LEU B 81 -36.542 16.838 10.917 1.00 15.80 C ATOM 540 CD2 LEU B 81 -37.314 15.856 13.092 1.00 15.35 C ATOM 541 H LEU B 81 -37.321 18.499 15.294 1.00 0.00 H ATOM 542 N GLU B 82 -35.827 20.988 13.746 1.00 12.95 N ATOM 543 CA GLU B 82 -35.149 22.252 13.511 1.00 14.04 C ATOM 544 C GLU B 82 -33.653 22.098 13.743 1.00 13.31 C ATOM 545 O GLU B 82 -32.833 22.507 12.919 1.00 14.61 O ATOM 546 CB GLU B 82 -35.688 23.323 14.457 1.00 20.46 C ATOM 547 CG GLU B 82 -36.721 24.258 13.895 1.00 28.97 C ATOM 548 CD GLU B 82 -36.657 25.613 14.578 1.00 49.67 C ATOM 549 OE1 GLU B 82 -37.053 25.705 15.761 1.00 54.03 O ATOM 550 OE2 GLU B 82 -36.191 26.581 13.942 1.00 49.97 O ATOM 551 H GLU B 82 -36.544 20.927 14.497 1.00 0.00 H ATOM 552 N TRP B 83 -33.313 21.493 14.878 1.00 11.44 N ATOM 553 CA TRP B 83 -31.930 21.244 15.233 1.00 14.03 C ATOM 554 C TRP B 83 -31.249 20.353 14.202 1.00 11.66 C ATOM 555 O TRP B 83 -30.112 20.612 13.817 1.00 13.29 O ATOM 556 CB TRP B 83 -31.849 20.610 16.620 1.00 10.83 C ATOM 557 CG TRP B 83 -32.080 21.575 17.750 1.00 12.09 C ATOM 558 CD1 TRP B 83 -31.917 22.937 17.730 1.00 13.99 C ATOM 559 CD2 TRP B 83 -32.512 21.240 19.072 1.00 12.54 C ATOM 560 NE1 TRP B 83 -32.216 23.465 18.968 1.00 15.98 N ATOM 561 CE2 TRP B 83 -32.578 22.445 19.809 1.00 14.13 C ATOM 562 CE3 TRP B 83 -32.827 20.036 19.711 1.00 11.49 C ATOM 563 CZ2 TRP B 83 -32.971 22.486 21.153 1.00 15.16 C ATOM 564 CZ3 TRP B 83 -33.233 20.081 21.040 1.00 14.12 C ATOM 565 CH2 TRP B 83 -33.277 21.291 21.751 1.00 14.98 C ATOM 566 HE1 TRP B 83 -32.174 24.473 19.222 1.00 0.00 H ATOM 567 H TRP B 83 -34.063 21.189 15.531 1.00 0.00 H ATOM 568 N LEU B 84 -31.929 19.295 13.763 1.00 10.02 N ATOM 569 CA LEU B 84 -31.297 18.356 12.840 1.00 10.12 C ATOM 570 C LEU B 84 -30.905 19.053 11.532 1.00 13.70 C ATOM 571 O LEU B 84 -29.815 18.831 11.001 1.00 13.86 O ATOM 572 CB LEU B 84 -32.230 17.178 12.583 1.00 12.30 C ATOM 573 CG LEU B 84 -31.621 16.022 11.781 1.00 12.60 C ATOM 574 CD1 LEU B 84 -30.450 15.391 12.541 1.00 15.58 C ATOM 575 CD2 LEU B 84 -32.649 14.958 11.464 1.00 14.02 C ATOM 576 H LEU B 84 -32.908 19.138 14.077 1.00 0.00 H ATOM 577 N GLN B 85 -31.772 19.931 11.036 1.00 12.52 N ATOM 578 CA GLN B 85 -31.463 20.671 9.812 1.00 13.58 C ATOM 579 C GLN B 85 -30.297 21.627 9.979 1.00 14.22 C ATOM 580 O GLN B 85 -29.532 21.850 9.035 1.00 22.54 O ATOM 581 CB GLN B 85 -32.685 21.435 9.336 1.00 18.99 C ATOM 582 CG GLN B 85 -33.776 20.511 8.915 1.00 36.73 C ATOM 583 CD GLN B 85 -35.021 21.233 8.501 1.00 40.52 C ATOM 584 OE1 GLN B 85 -36.022 21.231 9.218 1.00 53.55 O ATOM 585 NE2 GLN B 85 -34.980 21.847 7.323 1.00 28.24 N ATOM 586 HE22 GLN B 85 -34.111 21.821 6.753 1.00 0.00 H ATOM 587 HE21 GLN B 85 -35.817 22.354 6.971 1.00 0.00 H ATOM 588 H GLN B 85 -32.677 20.093 11.522 1.00 0.00 H ATOM 589 N GLN B 86 -30.136 22.202 11.167 1.00 14.60 N ATOM 590 CA GLN B 86 -29.022 23.115 11.359 1.00 16.86 C ATOM 591 C GLN B 86 -27.701 22.399 11.622 1.00 13.71 C ATOM 592 O GLN B 86 -26.641 23.035 11.565 1.00 17.36 O ATOM 593 CB GLN B 86 -29.281 24.008 12.580 1.00 14.29 C ATOM 594 CG GLN B 86 -30.599 24.746 12.610 1.00 20.77 C ATOM 595 CD GLN B 86 -30.895 25.337 13.982 1.00 39.41 C ATOM 596 OE1 GLN B 86 -30.107 25.189 14.919 1.00 29.07 O ATOM 597 NE2 GLN B 86 -32.044 25.992 14.111 1.00 30.56 N ATOM 598 HE22 GLN B 86 -32.679 26.093 13.294 1.00 0.00 H ATOM 599 HE21 GLN B 86 -32.308 26.403 15.029 1.00 0.00 H ATOM 600 H GLN B 86 -30.796 22.002 11.945 1.00 0.00 H ATOM 601 N ALA B 87 -27.746 21.108 11.902 1.00 13.64 N ATOM 602 CA ALA B 87 -26.542 20.405 12.319 1.00 12.90 C ATOM 603 C ALA B 87 -25.524 20.241 11.186 1.00 11.63 C ATOM 604 O ALA B 87 -25.880 19.959 10.046 1.00 13.32 O ATOM 605 CB ALA B 87 -26.901 19.052 12.894 1.00 13.20 C ATOM 606 H ALA B 87 -28.646 20.592 11.824 1.00 0.00 H ATOM 607 N ASP B 88 -24.250 20.402 11.528 1.00 12.60 N ATOM 608 CA ASP B 88 -23.160 20.150 10.589 1.00 12.54 C ATOM 609 C ASP B 88 -22.728 18.688 10.611 1.00 11.24 C ATOM 610 O ASP B 88 -22.091 18.219 9.671 1.00 13.04 O ATOM 611 CB ASP B 88 -21.988 21.059 10.910 1.00 13.22 C ATOM 612 CG ASP B 88 -22.361 22.513 10.782 1.00 16.75 C ATOM 613 OD1 ASP B 88 -22.699 22.918 9.651 1.00 20.37 O ATOM 614 OD2 ASP B 88 -22.357 23.249 11.797 1.00 18.63 O ATOM 615 H ASP B 88 -24.022 20.717 12.493 1.00 0.00 H ATOM 616 N VAL B 89 -23.083 17.966 11.668 1.00 10.78 N ATOM 617 CA VAL B 89 -22.769 16.556 11.772 1.00 9.62 C ATOM 618 C VAL B 89 -23.758 15.900 12.733 1.00 10.28 C ATOM 619 O VAL B 89 -24.248 16.549 13.661 1.00 9.72 O ATOM 620 CB VAL B 89 -21.306 16.341 12.261 1.00 10.63 C ATOM 621 CG1 VAL B 89 -21.126 16.901 13.661 1.00 14.43 C ATOM 622 CG2 VAL B 89 -20.910 14.873 12.223 1.00 11.70 C ATOM 623 H VAL B 89 -23.601 18.426 12.443 1.00 0.00 H ATOM 624 N VAL B 90 -24.052 14.625 12.490 1.00 7.33 N ATOM 625 CA VAL B 90 -24.941 13.835 13.321 1.00 7.96 C ATOM 626 C VAL B 90 -24.131 12.680 13.882 1.00 7.53 C ATOM 627 O VAL B 90 -23.477 11.968 13.116 1.00 9.36 O ATOM 628 CB VAL B 90 -26.139 13.301 12.507 1.00 7.92 C ATOM 629 CG1 VAL B 90 -27.014 12.374 13.378 1.00 9.72 C ATOM 630 CG2 VAL B 90 -26.948 14.465 11.908 1.00 9.94 C ATOM 631 H VAL B 90 -23.621 14.170 11.660 1.00 0.00 H ATOM 632 N VAL B 91 -24.139 12.513 15.204 1.00 7.83 N ATOM 633 CA VAL B 91 -23.463 11.402 15.855 1.00 8.01 C ATOM 634 C VAL B 91 -24.510 10.617 16.635 1.00 7.91 C ATOM 635 O VAL B 91 -25.266 11.191 17.435 1.00 9.27 O ATOM 636 CB VAL B 91 -22.343 11.902 16.787 1.00 8.40 C ATOM 637 CG1 VAL B 91 -21.654 10.709 17.512 1.00 8.24 C ATOM 638 CG2 VAL B 91 -21.306 12.711 15.993 1.00 9.46 C ATOM 639 H VAL B 91 -24.648 13.203 15.792 1.00 0.00 H ATOM 640 N ALA B 92 -24.584 9.317 16.378 1.00 7.28 N ATOM 641 CA ALA B 92 -25.607 8.480 17.007 1.00 7.95 C ATOM 642 C ALA B 92 -24.975 7.289 17.709 1.00 7.56 C ATOM 643 O ALA B 92 -24.142 6.596 17.119 1.00 8.55 O ATOM 644 CB ALA B 92 -26.623 8.000 15.974 1.00 8.52 C ATOM 645 H ALA B 92 -23.904 8.886 15.719 1.00 0.00 H ATOM 646 N GLU B 93 -25.322 7.083 18.975 1.00 6.88 N ATOM 647 CA GLU B 93 -24.945 5.851 19.651 1.00 8.00 C ATOM 648 C GLU B 93 -26.108 4.873 19.410 1.00 6.94 C ATOM 649 O GLU B 93 -27.223 5.084 19.913 1.00 8.67 O ATOM 650 CB GLU B 93 -24.675 6.090 21.145 1.00 9.31 C ATOM 651 CG GLU B 93 -23.545 5.239 21.703 1.00 9.33 C ATOM 652 CD GLU B 93 -23.867 3.743 21.756 1.00 8.88 C ATOM 653 OE1 GLU B 93 -22.954 2.929 22.014 1.00 11.09 O ATOM 654 OE2 GLU B 93 -25.048 3.375 21.529 1.00 8.57 O ATOM 655 H GLU B 93 -25.866 7.807 19.486 1.00 0.00 H ATOM 656 N VAL B 94 -25.840 3.835 18.617 1.00 6.18 N ATOM 657 CA VAL B 94 -26.887 2.963 18.105 1.00 8.28 C ATOM 658 C VAL B 94 -26.885 1.562 18.718 1.00 7.29 C ATOM 659 O VAL B 94 -27.472 0.628 18.154 1.00 8.05 O ATOM 660 CB VAL B 94 -26.780 2.846 16.552 1.00 6.21 C ATOM 661 CG1 VAL B 94 -27.063 4.226 15.884 1.00 9.19 C ATOM 662 CG2 VAL B 94 -25.411 2.270 16.146 1.00 7.59 C ATOM 663 H VAL B 94 -24.852 3.642 18.356 1.00 0.00 H ATOM 664 N THR B 95 -26.276 1.395 19.895 1.00 6.84 N ATOM 665 CA THR B 95 -26.278 0.085 20.540 1.00 8.16 C ATOM 666 C THR B 95 -27.678 -0.333 21.027 1.00 6.99 C ATOM 667 O THR B 95 -28.094 -1.468 20.823 1.00 8.45 O ATOM 668 CB THR B 95 -25.269 0.062 21.706 1.00 6.97 C ATOM 669 OG1 THR B 95 -23.979 0.403 21.167 1.00 8.86 O ATOM 670 CG2 THR B 95 -25.217 -1.322 22.342 1.00 10.70 C ATOM 671 HG1 THR B 95 -24.020 1.305 20.762 1.00 0.00 H ATOM 672 H THR B 95 -25.800 2.199 20.352 1.00 0.00 H ATOM 673 N GLN B 96 -28.407 0.590 21.657 1.00 7.21 N ATOM 674 CA GLN B 96 -29.772 0.286 22.101 1.00 7.77 C ATOM 675 C GLN B 96 -30.782 0.555 20.985 1.00 7.79 C ATOM 676 O GLN B 96 -30.847 1.664 20.461 1.00 7.80 O ATOM 677 CB GLN B 96 -30.100 1.111 23.349 1.00 9.08 C ATOM 678 CG GLN B 96 -31.436 0.809 23.968 1.00 7.35 C ATOM 679 CD GLN B 96 -31.492 -0.519 24.686 1.00 8.69 C ATOM 680 OE1 GLN B 96 -32.571 -0.979 25.009 1.00 8.56 O ATOM 681 NE2 GLN B 96 -30.338 -1.135 24.961 1.00 8.57 N ATOM 682 HE22 GLN B 96 -29.437 -0.707 24.667 1.00 0.00 H ATOM 683 HE21 GLN B 96 -30.341 -2.042 25.469 1.00 0.00 H ATOM 684 H GLN B 96 -28.005 1.532 21.835 1.00 0.00 H ATOM 685 N PRO B 97 -31.569 -0.462 20.585 1.00 7.50 N ATOM 686 CA PRO B 97 -32.539 -0.177 19.513 1.00 7.34 C ATOM 687 C PRO B 97 -33.604 0.857 19.911 1.00 6.95 C ATOM 688 O PRO B 97 -34.108 0.843 21.039 1.00 7.28 O ATOM 689 CB PRO B 97 -33.184 -1.537 19.257 1.00 8.60 C ATOM 690 CG PRO B 97 -32.156 -2.557 19.703 1.00 9.42 C ATOM 691 CD PRO B 97 -31.508 -1.900 20.909 1.00 10.04 C ATOM 692 N SER B 98 -33.926 1.746 18.969 1.00 6.26 N ATOM 693 CA SER B 98 -34.748 2.920 19.273 1.00 7.22 C ATOM 694 C SER B 98 -35.408 3.412 18.018 1.00 6.37 C ATOM 695 O SER B 98 -34.710 3.662 17.023 1.00 6.57 O ATOM 696 CB SER B 98 -33.879 4.046 19.861 1.00 7.91 C ATOM 697 OG SER B 98 -34.524 5.312 19.771 1.00 7.02 O ATOM 698 HG SER B 98 -35.377 5.283 20.272 1.00 0.00 H ATOM 699 H SER B 98 -33.586 1.602 17.997 1.00 0.00 H ATOM 700 N LEU B 99 -36.728 3.591 18.058 1.00 6.28 N ATOM 701 CA LEU B 99 -37.431 4.173 16.910 1.00 5.75 C ATOM 702 C LEU B 99 -36.975 5.594 16.640 1.00 5.55 C ATOM 703 O LEU B 99 -36.746 5.982 15.501 1.00 7.25 O ATOM 704 CB LEU B 99 -38.932 4.159 17.154 1.00 6.26 C ATOM 705 CG LEU B 99 -39.589 2.785 17.233 1.00 6.69 C ATOM 706 CD1 LEU B 99 -40.952 2.936 17.836 1.00 8.94 C ATOM 707 CD2 LEU B 99 -39.679 2.111 15.839 1.00 9.13 C ATOM 708 H LEU B 99 -37.262 3.317 18.907 1.00 0.00 H ATOM 709 N GLY B 100 -36.845 6.383 17.691 1.00 6.75 N ATOM 710 CA GLY B 100 -36.484 7.777 17.491 1.00 6.14 C ATOM 711 C GLY B 100 -35.096 7.975 16.934 1.00 7.13 C ATOM 712 O GLY B 100 -34.909 8.807 16.054 1.00 6.80 O ATOM 713 H GLY B 100 -36.999 6.012 18.650 1.00 0.00 H ATOM 714 N VAL B 101 -34.135 7.203 17.424 1.00 5.93 N ATOM 715 CA VAL B 101 -32.784 7.280 16.872 1.00 6.71 C ATOM 716 C VAL B 101 -32.802 6.864 15.379 1.00 5.36 C ATOM 717 O VAL B 101 -32.189 7.518 14.535 1.00 6.80 O ATOM 718 CB VAL B 101 -31.789 6.400 17.663 1.00 6.66 C ATOM 719 CG1 VAL B 101 -30.438 6.362 16.980 1.00 7.44 C ATOM 720 CG2 VAL B 101 -31.653 6.928 19.101 1.00 6.72 C ATOM 721 H VAL B 101 -34.343 6.543 18.201 1.00 0.00 H ATOM 722 N GLY B 102 -33.498 5.770 15.050 1.00 5.79 N ATOM 723 CA GLY B 102 -33.609 5.371 13.653 1.00 6.34 C ATOM 724 C GLY B 102 -34.238 6.461 12.806 1.00 6.24 C ATOM 725 O GLY B 102 -33.783 6.733 11.697 1.00 6.48 O ATOM 726 H GLY B 102 -33.960 5.205 15.791 1.00 0.00 H ATOM 727 N TYR B 103 -35.292 7.081 13.325 1.00 5.45 N ATOM 728 CA TYR B 103 -35.997 8.139 12.615 1.00 7.36 C ATOM 729 C TYR B 103 -35.082 9.329 12.349 1.00 6.25 C ATOM 730 O TYR B 103 -35.058 9.881 11.247 1.00 6.25 O ATOM 731 CB TYR B 103 -37.230 8.538 13.431 1.00 6.09 C ATOM 732 CG TYR B 103 -38.016 9.665 12.824 1.00 6.91 C ATOM 733 CD1 TYR B 103 -38.942 9.427 11.794 1.00 8.49 C ATOM 734 CD2 TYR B 103 -37.847 10.984 13.281 1.00 8.24 C ATOM 735 CE1 TYR B 103 -39.658 10.476 11.229 1.00 7.84 C ATOM 736 CE2 TYR B 103 -38.546 12.013 12.728 1.00 8.40 C ATOM 737 CZ TYR B 103 -39.463 11.766 11.728 1.00 7.15 C ATOM 738 OH TYR B 103 -40.152 12.817 11.170 1.00 10.20 O ATOM 739 HH TYR B 103 -40.674 13.278 11.873 1.00 0.00 H ATOM 740 H TYR B 103 -35.625 6.801 14.270 1.00 0.00 H ATOM 741 N GLU B 104 -34.331 9.727 13.375 1.00 6.21 N ATOM 742 CA GLU B 104 -33.366 10.812 13.230 1.00 5.99 C ATOM 743 C GLU B 104 -32.344 10.486 12.147 1.00 6.05 C ATOM 744 O GLU B 104 -32.022 11.341 11.330 1.00 6.43 O ATOM 745 CB GLU B 104 -32.667 11.103 14.573 1.00 7.39 C ATOM 746 CG GLU B 104 -33.602 11.759 15.579 1.00 9.45 C ATOM 747 CD GLU B 104 -33.057 11.798 16.989 1.00 7.40 C ATOM 748 OE1 GLU B 104 -33.345 12.812 17.688 1.00 9.30 O ATOM 749 OE2 GLU B 104 -32.378 10.816 17.394 1.00 8.25 O ATOM 750 H GLU B 104 -34.434 9.256 14.296 1.00 0.00 H ATOM 751 N LEU B 105 -31.878 9.245 12.112 1.00 6.09 N ATOM 752 CA LEU B 105 -30.909 8.853 11.096 1.00 8.07 C ATOM 753 C LEU B 105 -31.532 8.852 9.713 1.00 6.69 C ATOM 754 O LEU B 105 -30.871 9.256 8.751 1.00 7.68 O ATOM 755 CB LEU B 105 -30.328 7.492 11.434 1.00 5.89 C ATOM 756 CG LEU B 105 -29.343 7.521 12.619 1.00 7.46 C ATOM 757 CD1 LEU B 105 -29.030 6.093 13.022 1.00 7.35 C ATOM 758 CD2 LEU B 105 -28.051 8.298 12.237 1.00 8.29 C ATOM 759 H LEU B 105 -32.205 8.549 12.812 1.00 0.00 H ATOM 760 N GLY B 106 -32.802 8.442 9.600 1.00 6.89 N ATOM 761 CA GLY B 106 -33.468 8.473 8.308 1.00 7.42 C ATOM 762 C GLY B 106 -33.641 9.895 7.790 1.00 6.75 C ATOM 763 O GLY B 106 -33.356 10.202 6.627 1.00 7.62 O ATOM 764 H GLY B 106 -33.313 8.100 10.439 1.00 0.00 H ATOM 765 N ARG B 107 -34.081 10.783 8.668 1.00 6.99 N ATOM 766 CA ARG B 107 -34.201 12.180 8.287 1.00 7.78 C ATOM 767 C ARG B 107 -32.825 12.756 7.947 1.00 6.47 C ATOM 768 O ARG B 107 -32.683 13.521 6.978 1.00 7.77 O ATOM 769 CB ARG B 107 -34.873 13.012 9.396 1.00 8.31 C ATOM 770 CG ARG B 107 -36.337 12.625 9.713 1.00 8.26 C ATOM 771 CD ARG B 107 -37.280 12.748 8.511 1.00 8.68 C ATOM 772 NE ARG B 107 -37.354 14.084 7.930 1.00 9.65 N ATOM 773 CZ ARG B 107 -38.204 15.043 8.313 1.00 10.52 C ATOM 774 NH1 ARG B 107 -38.214 16.223 7.686 1.00 12.76 N ATOM 775 NH2 ARG B 107 -39.019 14.856 9.342 1.00 12.06 N ATOM 776 HE ARG B 107 -36.694 14.308 7.158 1.00 0.00 H ATOM 777 HH12 ARG B 107 -38.876 16.966 7.987 1.00 0.00 H ATOM 778 HH11 ARG B 107 -37.559 16.398 6.897 1.00 0.00 H ATOM 779 HH22 ARG B 107 -39.675 15.610 9.629 1.00 0.00 H ATOM 780 HH21 ARG B 107 -39.002 13.955 9.862 1.00 0.00 H ATOM 781 H ARG B 107 -34.340 10.481 9.629 1.00 0.00 H ATOM 782 N ALA B 108 -31.815 12.354 8.711 1.00 7.50 N ATOM 783 CA ALA B 108 -30.463 12.863 8.471 1.00 7.37 C ATOM 784 C ALA B 108 -29.913 12.415 7.122 1.00 9.23 C ATOM 785 O ALA B 108 -29.309 13.220 6.403 1.00 8.41 O ATOM 786 CB ALA B 108 -29.541 12.428 9.599 1.00 8.08 C ATOM 787 H ALA B 108 -31.985 11.676 9.481 1.00 0.00 H ATOM 788 N VAL B 109 -30.137 11.156 6.752 1.00 7.10 N ATOM 789 CA VAL B 109 -29.685 10.678 5.464 1.00 7.32 C ATOM 790 C VAL B 109 -30.387 11.452 4.343 1.00 8.20 C ATOM 791 O VAL B 109 -29.756 11.863 3.368 1.00 9.88 O ATOM 792 CB VAL B 109 -29.928 9.166 5.304 1.00 8.53 C ATOM 793 CG1 VAL B 109 -29.711 8.736 3.848 1.00 11.65 C ATOM 794 CG2 VAL B 109 -28.989 8.399 6.191 1.00 9.91 C ATOM 795 H VAL B 109 -30.641 10.511 7.394 1.00 0.00 H ATOM 796 N ALA B 110 -31.689 11.692 4.483 1.00 9.04 N ATOM 797 CA ALA B 110 -32.415 12.414 3.447 1.00 10.02 C ATOM 798 C ALA B 110 -31.960 13.873 3.329 1.00 10.22 C ATOM 799 O ALA B 110 -32.004 14.443 2.242 1.00 12.26 O ATOM 800 CB ALA B 110 -33.898 12.340 3.723 1.00 9.10 C ATOM 801 H ALA B 110 -32.189 11.363 5.334 1.00 0.00 H ATOM 802 N PHE B 111 -31.520 14.461 4.436 1.00 9.78 N ATOM 803 CA PHE B 111 -30.884 15.789 4.441 1.00 12.29 C ATOM 804 C PHE B 111 -29.415 15.736 3.954 1.00 10.58 C ATOM 805 O PHE B 111 -28.752 16.782 3.869 1.00 13.75 O ATOM 806 CB PHE B 111 -30.918 16.386 5.859 1.00 10.58 C ATOM 807 CG PHE B 111 -32.285 16.881 6.320 1.00 9.72 C ATOM 808 CD1 PHE B 111 -33.138 17.559 5.476 1.00 15.23 C ATOM 809 CD2 PHE B 111 -32.676 16.676 7.624 1.00 11.53 C ATOM 810 CE1 PHE B 111 -34.379 18.026 5.946 1.00 13.37 C ATOM 811 CE2 PHE B 111 -33.897 17.125 8.097 1.00 16.33 C ATOM 812 CZ PHE B 111 -34.748 17.795 7.262 1.00 13.65 C ATOM 813 H PHE B 111 -31.630 13.960 5.341 1.00 0.00 H ATOM 814 N ASN B 112 -28.936 14.530 3.644 1.00 10.49 N ATOM 815 CA ASN B 112 -27.536 14.242 3.296 1.00 10.68 C ATOM 816 C ASN B 112 -26.544 14.830 4.297 1.00 10.53 C ATOM 817 O ASN B 112 -25.592 15.517 3.933 1.00 12.28 O ATOM 818 CB ASN B 112 -27.205 14.703 1.873 1.00 14.86 C ATOM 819 CG ASN B 112 -25.865 14.137 1.371 1.00 16.28 C ATOM 820 OD1 ASN B 112 -25.318 13.213 1.966 1.00 15.85 O ATOM 821 ND2 ASN B 112 -25.343 14.698 0.287 1.00 18.65 N ATOM 822 HD22 ASN B 112 -25.841 15.479 -0.186 1.00 0.00 H ATOM 823 HD21 ASN B 112 -24.436 14.356 -0.090 1.00 0.00 H ATOM 824 H ASN B 112 -29.603 13.732 3.649 1.00 0.00 H ATOM 825 N LYS B 113 -26.771 14.534 5.568 1.00 10.25 N ATOM 826 CA LYS B 113 -25.866 14.946 6.635 1.00 10.60 C ATOM 827 C LYS B 113 -24.642 14.035 6.708 1.00 10.48 C ATOM 828 O LYS B 113 -24.691 12.856 6.348 1.00 9.98 O ATOM 829 CB LYS B 113 -26.574 14.922 7.990 1.00 10.34 C ATOM 830 CG LYS B 113 -27.724 15.929 8.138 1.00 9.79 C ATOM 831 CD LYS B 113 -27.249 17.369 7.956 1.00 13.04 C ATOM 832 CE LYS B 113 -28.365 18.385 8.121 1.00 13.77 C ATOM 833 NZ LYS B 113 -27.824 19.776 8.030 1.00 15.43 N ATOM 834 HZ1 LYS B 113 -27.119 19.922 8.781 1.00 0.00 H ATOM 835 HZ2 LYS B 113 -27.376 19.913 7.101 1.00 0.00 H ATOM 836 HZ3 LYS B 113 -28.601 20.457 8.145 1.00 0.00 H ATOM 837 H LYS B 113 -27.623 13.990 5.813 1.00 0.00 H ATOM 838 N ARG B 114 -23.538 14.593 7.189 1.00 9.34 N ATOM 839 CA ARG B 114 -22.401 13.817 7.666 1.00 8.81 C ATOM 840 C ARG B 114 -22.829 13.075 8.937 1.00 9.74 C ATOM 841 O ARG B 114 -23.301 13.706 9.883 1.00 9.58 O ATOM 842 CB ARG B 114 -21.230 14.750 7.943 1.00 10.72 C ATOM 843 CG ARG B 114 -20.035 14.064 8.540 1.00 10.36 C ATOM 844 CD ARG B 114 -18.951 15.084 8.780 1.00 12.50 C ATOM 845 NE ARG B 114 -17.863 14.518 9.565 1.00 11.92 N ATOM 846 CZ ARG B 114 -16.736 15.174 9.833 1.00 12.49 C ATOM 847 NH1 ARG B 114 -16.574 16.410 9.389 1.00 14.34 N ATOM 848 NH2 ARG B 114 -15.781 14.600 10.550 1.00 13.07 N ATOM 849 HE ARG B 114 -17.972 13.552 9.935 1.00 0.00 H ATOM 850 HH12 ARG B 114 -15.695 16.926 9.596 1.00 0.00 H ATOM 851 HH11 ARG B 114 -17.326 16.865 8.833 1.00 0.00 H ATOM 852 HH22 ARG B 114 -14.903 15.118 10.756 1.00 0.00 H ATOM 853 HH21 ARG B 114 -15.910 13.632 10.907 1.00 0.00 H ATOM 854 H ARG B 114 -23.482 15.631 7.227 1.00 0.00 H ATOM 855 N ILE B 115 -22.655 11.753 8.961 1.00 8.49 N ATOM 856 CA ILE B 115 -23.191 10.911 10.015 1.00 7.57 C ATOM 857 C ILE B 115 -22.147 9.924 10.506 1.00 6.58 C ATOM 858 O ILE B 115 -21.500 9.231 9.708 1.00 8.45 O ATOM 859 CB ILE B 115 -24.429 10.118 9.497 1.00 6.99 C ATOM 860 CG1 ILE B 115 -25.576 11.068 9.129 1.00 8.51 C ATOM 861 CG2 ILE B 115 -24.893 9.088 10.524 1.00 9.95 C ATOM 862 CD1 ILE B 115 -26.662 10.424 8.287 1.00 9.23 C ATOM 863 H ILE B 115 -22.113 11.307 8.193 1.00 0.00 H ATOM 864 N LEU B 116 -21.999 9.867 11.827 1.00 7.51 N ATOM 865 CA LEU B 116 -21.179 8.835 12.489 1.00 8.95 C ATOM 866 C LEU B 116 -22.031 8.062 13.479 1.00 7.07 C ATOM 867 O LEU B 116 -22.640 8.668 14.385 1.00 8.30 O ATOM 868 CB LEU B 116 -19.978 9.457 13.219 1.00 7.43 C ATOM 869 CG LEU B 116 -19.129 8.443 14.007 1.00 7.13 C ATOM 870 CD1 LEU B 116 -18.415 7.463 13.082 1.00 11.78 C ATOM 871 CD2 LEU B 116 -18.131 9.176 14.907 1.00 10.36 C ATOM 872 H LEU B 116 -22.480 10.577 12.415 1.00 0.00 H ATOM 873 N CYS B 117 -22.117 6.747 13.308 1.00 6.74 N ATOM 874 CA CYS B 117 -22.801 5.887 14.282 1.00 8.05 C ATOM 875 C CYS B 117 -21.778 5.074 15.041 1.00 7.56 C ATOM 876 O CYS B 117 -20.792 4.593 14.475 1.00 9.04 O ATOM 877 CB CYS B 117 -23.809 4.938 13.600 1.00 7.72 C ATOM 878 SG CYS B 117 -25.207 5.726 12.808 1.00 8.59 S ATOM 879 H CYS B 117 -21.689 6.316 12.463 1.00 0.00 H ATOM 880 N LEU B 118 -22.031 4.932 16.336 1.00 7.87 N ATOM 881 CA LEU B 118 -21.178 4.204 17.258 1.00 7.19 C ATOM 882 C LEU B 118 -21.940 3.020 17.866 1.00 6.99 C ATOM 883 O LEU B 118 -23.027 3.200 18.434 1.00 7.50 O ATOM 884 CB LEU B 118 -20.692 5.165 18.345 1.00 10.44 C ATOM 885 CG LEU B 118 -19.900 6.391 17.879 1.00 11.42 C ATOM 886 CD1 LEU B 118 -19.849 7.467 18.949 1.00 12.48 C ATOM 887 CD2 LEU B 118 -18.498 5.943 17.532 1.00 16.14 C ATOM 888 H LEU B 118 -22.895 5.370 16.714 1.00 0.00 H ATOM 889 N PHE B 119 -21.380 1.823 17.752 1.00 8.03 N ATOM 890 CA PHE B 119 -22.024 0.587 18.161 1.00 7.72 C ATOM 891 C PHE B 119 -21.083 -0.238 19.026 1.00 8.32 C ATOM 892 O PHE B 119 -19.927 -0.402 18.660 1.00 8.45 O ATOM 893 CB PHE B 119 -22.426 -0.252 16.949 1.00 8.22 C ATOM 894 CG PHE B 119 -23.094 -1.553 17.320 1.00 8.43 C ATOM 895 CD1 PHE B 119 -24.402 -1.551 17.800 1.00 8.12 C ATOM 896 CD2 PHE B 119 -22.416 -2.768 17.227 1.00 9.76 C ATOM 897 CE1 PHE B 119 -25.027 -2.724 18.177 1.00 9.67 C ATOM 898 CE2 PHE B 119 -23.044 -3.958 17.596 1.00 9.71 C ATOM 899 CZ PHE B 119 -24.347 -3.926 18.077 1.00 12.16 C ATOM 900 H PHE B 119 -20.424 1.766 17.346 1.00 0.00 H ATOM 901 N ARG B 120 -21.577 -0.830 20.120 1.00 8.88 N ATOM 902 CA ARG B 120 -20.730 -1.647 21.003 1.00 10.25 C ATOM 903 C ARG B 120 -21.026 -3.140 20.845 1.00 11.52 C ATOM 904 O ARG B 120 -22.050 -3.609 21.332 1.00 14.17 O ATOM 905 CB ARG B 120 -20.923 -1.255 22.467 1.00 10.38 C ATOM 906 CG ARG B 120 -20.579 0.185 22.760 1.00 9.82 C ATOM 907 CD ARG B 120 -20.479 0.488 24.260 1.00 11.89 C ATOM 908 NE ARG B 120 -21.484 -0.209 25.066 1.00 11.82 N ATOM 909 CZ ARG B 120 -22.780 0.119 25.126 1.00 11.74 C ATOM 910 NH1 ARG B 120 -23.274 1.153 24.451 1.00 10.12 N ATOM 911 NH2 ARG B 120 -23.579 -0.587 25.906 1.00 14.17 N ATOM 912 HE ARG B 120 -21.166 -1.020 25.634 1.00 0.00 H ATOM 913 HH12 ARG B 120 -24.286 1.382 24.518 1.00 0.00 H ATOM 914 HH11 ARG B 120 -22.648 1.732 23.856 1.00 0.00 H ATOM 915 HH22 ARG B 120 -24.590 -0.349 25.967 1.00 0.00 H ATOM 916 HH21 ARG B 120 -23.197 -1.381 26.459 1.00 0.00 H ATOM 917 H ARG B 120 -22.584 -0.710 20.351 1.00 0.00 H ATOM 918 N PRO B 121 -20.137 -3.899 20.182 1.00 11.94 N ATOM 919 CA PRO B 121 -20.363 -5.344 20.017 1.00 15.08 C ATOM 920 C PRO B 121 -20.403 -6.120 21.339 1.00 14.71 C ATOM 921 O PRO B 121 -20.963 -7.219 21.386 1.00 17.36 O ATOM 922 CB PRO B 121 -19.157 -5.810 19.187 1.00 22.29 C ATOM 923 CG PRO B 121 -18.622 -4.588 18.543 1.00 24.61 C ATOM 924 CD PRO B 121 -18.956 -3.423 19.439 1.00 12.74 C ATOM 925 N GLN B 122 -19.818 -5.584 22.403 1.00 16.83 N ATOM 926 CA GLN B 122 -19.782 -6.342 23.652 1.00 17.71 C ATOM 927 C GLN B 122 -21.150 -6.459 24.324 1.00 20.66 C ATOM 928 O GLN B 122 -21.308 -7.215 25.284 1.00 23.99 O ATOM 929 CB GLN B 122 -18.773 -5.732 24.625 1.00 26.31 C ATOM 930 CG GLN B 122 -17.359 -6.247 24.405 1.00 39.32 C ATOM 931 CD GLN B 122 -16.368 -5.687 25.399 1.00 52.12 C ATOM 932 OE1 GLN B 122 -16.636 -4.685 26.064 1.00 54.10 O ATOM 933 NE2 GLN B 122 -15.214 -6.333 25.509 1.00 50.73 N ATOM 934 HE22 GLN B 122 -15.032 -7.175 24.926 1.00 0.00 H ATOM 935 HE21 GLN B 122 -14.492 -5.997 26.178 1.00 0.00 H ATOM 936 H GLN B 122 -19.391 -4.637 22.349 1.00 0.00 H ATOM 937 N SER B 123 -22.134 -5.744 23.796 1.00 18.16 N ATOM 938 CA SER B 123 -23.517 -5.848 24.237 1.00 20.65 C ATOM 939 C SER B 123 -24.103 -7.228 23.929 1.00 18.51 C ATOM 940 O SER B 123 -25.097 -7.640 24.524 1.00 45.90 O ATOM 941 CB SER B 123 -24.350 -4.774 23.559 1.00 23.14 C ATOM 942 OG SER B 123 -24.247 -4.908 22.149 1.00 19.20 O ATOM 943 HG SER B 123 -23.300 -4.810 21.878 1.00 0.00 H ATOM 944 H SER B 123 -21.907 -5.077 23.031 1.00 0.00 H ATOM 945 N GLY B 124 -23.474 -7.929 22.991 1.00 20.85 N ATOM 946 CA GLY B 124 -23.947 -9.226 22.543 1.00 26.67 C ATOM 947 C GLY B 124 -24.930 -9.132 21.398 1.00 41.36 C ATOM 948 O GLY B 124 -25.172 -10.117 20.699 1.00 45.75 O ATOM 949 H GLY B 124 -22.612 -7.534 22.563 1.00 0.00 H ATOM 950 N ARG B 125 -25.488 -7.939 21.206 1.00 18.68 N ATOM 951 CA ARG B 125 -26.488 -7.694 20.164 1.00 20.32 C ATOM 952 C ARG B 125 -25.818 -7.525 18.824 1.00 16.79 C ATOM 953 O ARG B 125 -24.621 -7.265 18.753 1.00 14.89 O ATOM 954 CB ARG B 125 -27.234 -6.410 20.523 1.00 27.14 C ATOM 955 CG ARG B 125 -28.653 -6.271 20.070 1.00 40.31 C ATOM 956 CD ARG B 125 -29.109 -4.861 20.418 1.00 25.00 C ATOM 957 NE ARG B 125 -28.466 -4.397 21.644 1.00 45.85 N ATOM 958 CZ ARG B 125 -29.064 -4.348 22.828 1.00 39.05 C ATOM 959 NH1 ARG B 125 -30.331 -4.721 22.946 1.00 41.25 N ATOM 960 NH2 ARG B 125 -28.397 -3.918 23.892 1.00 40.99 N ATOM 961 HE ARG B 125 -27.476 -4.085 21.586 1.00 0.00 H ATOM 962 HH12 ARG B 125 -30.800 -4.683 23.873 1.00 0.00 H ATOM 963 HH11 ARG B 125 -30.856 -5.052 22.111 1.00 0.00 H ATOM 964 HH22 ARG B 125 -28.866 -3.880 24.819 1.00 0.00 H ATOM 965 HH21 ARG B 125 -27.405 -3.619 23.798 1.00 0.00 H ATOM 966 H ARG B 125 -25.203 -7.150 21.820 1.00 0.00 H ATOM 967 N VAL B 126 -26.586 -7.707 17.762 1.00 13.49 N ATOM 968 CA VAL B 126 -26.107 -7.455 16.424 1.00 12.40 C ATOM 969 C VAL B 126 -26.852 -6.231 15.876 1.00 9.25 C ATOM 970 O VAL B 126 -28.096 -6.153 15.936 1.00 9.87 O ATOM 971 CB VAL B 126 -26.319 -8.670 15.530 1.00 14.91 C ATOM 972 CG1 VAL B 126 -25.888 -8.357 14.108 1.00 19.11 C ATOM 973 CG2 VAL B 126 -25.537 -9.866 16.083 1.00 20.25 C ATOM 974 H VAL B 126 -27.562 -8.041 17.895 1.00 0.00 H ATOM 975 N LEU B 127 -26.129 -5.250 15.355 1.00 9.55 N ATOM 976 CA LEU B 127 -26.737 -4.023 14.840 1.00 8.16 C ATOM 977 C LEU B 127 -27.634 -4.254 13.623 1.00 8.36 C ATOM 978 O LEU B 127 -27.286 -4.991 12.707 1.00 8.54 O ATOM 979 CB LEU B 127 -25.625 -3.015 14.488 1.00 6.93 C ATOM 980 CG LEU B 127 -26.103 -1.678 13.912 1.00 7.00 C ATOM 981 CD1 LEU B 127 -27.023 -0.923 14.867 1.00 6.59 C ATOM 982 CD2 LEU B 127 -24.894 -0.819 13.576 1.00 9.26 C ATOM 983 H LEU B 127 -25.095 -5.356 15.311 1.00 0.00 H ATOM 984 N SER B 128 -28.807 -3.621 13.658 1.00 6.83 N ATOM 985 CA SER B 128 -29.683 -3.481 12.496 1.00 6.83 C ATOM 986 C SER B 128 -28.963 -3.488 11.153 1.00 9.12 C ATOM 987 O SER B 128 -28.094 -2.639 10.917 1.00 8.91 O ATOM 988 CB SER B 128 -30.430 -2.158 12.609 1.00 7.50 C ATOM 989 OG SER B 128 -31.302 -1.983 11.501 1.00 7.87 O ATOM 990 HG SER B 128 -31.778 -1.120 11.591 1.00 0.00 H ATOM 991 H SER B 128 -29.115 -3.205 14.560 1.00 0.00 H ATOM 992 N ALA B 129 -29.389 -4.378 10.260 1.00 8.43 N ATOM 993 CA ALA B 129 -28.887 -4.369 8.883 1.00 8.96 C ATOM 994 C ALA B 129 -29.201 -3.064 8.182 1.00 9.99 C ATOM 995 O ALA B 129 -28.487 -2.686 7.252 1.00 10.34 O ATOM 996 CB ALA B 129 -29.460 -5.533 8.093 1.00 11.55 C ATOM 997 H ALA B 129 -30.090 -5.092 10.544 1.00 0.00 H ATOM 998 N MET B 130 -30.291 -2.394 8.562 1.00 8.68 N ATOM 999 CA MET B 130 -30.647 -1.139 7.908 1.00 8.88 C ATOM 1000 C MET B 130 -29.651 -0.032 8.221 1.00 11.60 C ATOM 1001 O MET B 130 -29.305 0.775 7.355 1.00 12.48 O ATOM 1002 CB MET B 130 -32.041 -0.636 8.318 1.00 11.66 C ATOM 1003 CG MET B 130 -33.146 -1.475 7.808 1.00 12.01 C ATOM 1004 SD MET B 130 -33.124 -1.666 6.013 1.00 11.61 S ATOM 1005 CE MET B 130 -34.000 -0.216 5.447 1.00 12.67 C ATOM 1006 H MET B 130 -30.889 -2.768 9.327 1.00 0.00 H ATOM 1007 N ILE B 131 -29.198 0.041 9.472 1.00 8.34 N ATOM 1008 CA ILE B 131 -28.249 1.082 9.850 1.00 8.51 C ATOM 1009 C ILE B 131 -26.860 0.743 9.311 1.00 9.71 C ATOM 1010 O ILE B 131 -26.200 1.601 8.704 1.00 10.43 O ATOM 1011 CB ILE B 131 -28.226 1.282 11.383 1.00 8.77 C ATOM 1012 CG1 ILE B 131 -29.655 1.599 11.888 1.00 8.56 C ATOM 1013 CG2 ILE B 131 -27.171 2.310 11.795 1.00 9.75 C ATOM 1014 CD1 ILE B 131 -30.322 2.806 11.213 1.00 10.89 C ATOM 1015 H ILE B 131 -29.522 -0.647 10.181 1.00 0.00 H ATOM 1016 N ARG B 132 -26.403 -0.495 9.481 1.00 9.40 N ATOM 1017 CA ARG B 132 -25.082 -0.812 8.933 1.00 10.39 C ATOM 1018 C ARG B 132 -25.111 -0.732 7.414 1.00 10.78 C ATOM 1019 O ARG B 132 -24.111 -0.328 6.803 1.00 12.21 O ATOM 1020 CB ARG B 132 -24.522 -2.147 9.430 1.00 15.24 C ATOM 1021 CG ARG B 132 -22.970 -2.065 9.477 1.00 7.10 C ATOM 1022 CD ARG B 132 -22.298 -3.285 10.032 1.00 9.08 C ATOM 1023 NE ARG B 132 -22.493 -3.468 11.466 1.00 9.17 N ATOM 1024 CZ ARG B 132 -21.706 -2.954 12.406 1.00 11.85 C ATOM 1025 NH1 ARG B 132 -20.669 -2.185 12.077 1.00 9.57 N ATOM 1026 NH2 ARG B 132 -21.962 -3.211 13.682 1.00 7.39 N ATOM 1027 HE ARG B 132 -23.304 -4.041 11.775 1.00 0.00 H ATOM 1028 HH12 ARG B 132 -20.060 -1.788 12.820 1.00 0.00 H ATOM 1029 HH11 ARG B 132 -20.469 -1.982 11.077 1.00 0.00 H ATOM 1030 HH22 ARG B 132 -21.352 -2.814 14.425 1.00 0.00 H ATOM 1031 HH21 ARG B 132 -22.772 -3.810 13.939 1.00 0.00 H ATOM 1032 H ARG B 132 -26.963 -1.212 9.985 1.00 0.00 H ATOM 1033 N GLY B 133 -26.232 -1.108 6.794 1.00 8.68 N ATOM 1034 CA GLY B 133 -26.364 -1.073 5.343 1.00 10.35 C ATOM 1035 C GLY B 133 -26.485 0.333 4.763 1.00 9.88 C ATOM 1036 O GLY B 133 -26.211 0.531 3.589 1.00 10.76 O ATOM 1037 H GLY B 133 -27.037 -1.436 7.365 1.00 0.00 H ATOM 1038 N ALA B 134 -26.906 1.297 5.567 1.00 10.00 N ATOM 1039 CA ALA B 134 -27.031 2.684 5.112 1.00 9.76 C ATOM 1040 C ALA B 134 -25.683 3.365 4.986 1.00 10.66 C ATOM 1041 O ALA B 134 -25.547 4.357 4.279 1.00 13.41 O ATOM 1042 CB ALA B 134 -27.923 3.464 6.063 1.00 11.24 C ATOM 1043 H ALA B 134 -27.155 1.063 6.549 1.00 0.00 H ATOM 1044 N ALA B 135 -24.685 2.828 5.681 1.00 9.95 N ATOM 1045 CA ALA B 135 -23.341 3.399 5.658 1.00 12.82 C ATOM 1046 C ALA B 135 -22.691 3.255 4.301 1.00 12.00 C ATOM 1047 O ALA B 135 -22.871 2.252 3.611 1.00 16.60 O ATOM 1048 CB ALA B 135 -22.484 2.742 6.718 1.00 19.30 C ATOM 1049 H ALA B 135 -24.866 1.980 6.255 1.00 0.00 H ATOM 1050 N ASP B 136 -21.928 4.263 3.899 1.00 13.71 N ATOM 1051 CA ASP B 136 -21.128 4.158 2.692 1.00 14.00 C ATOM 1052 C ASP B 136 -19.648 4.184 3.046 1.00 32.49 C ATOM 1053 O ASP B 136 -18.775 4.183 2.177 1.00 27.46 O ATOM 1054 CB ASP B 136 -21.469 5.277 1.708 1.00 19.17 C ATOM 1055 CG ASP B 136 -21.276 6.660 2.301 1.00 42.19 C ATOM 1056 OD1 ASP B 136 -20.576 6.784 3.326 1.00 19.67 O ATOM 1057 OD2 ASP B 136 -21.834 7.631 1.746 1.00 58.46 O ATOM 1058 H ASP B 136 -21.903 5.141 4.456 1.00 0.00 H ATOM 1059 N GLY B 137 -19.376 4.228 4.344 1.00 34.08 N ATOM 1060 CA GLY B 137 -18.018 4.153 4.827 1.00 31.89 C ATOM 1061 C GLY B 137 -17.237 5.447 4.725 1.00 16.00 C ATOM 1062 O GLY B 137 -16.068 5.466 5.057 1.00 19.17 O ATOM 1063 H GLY B 137 -20.156 4.318 5.026 1.00 0.00 H ATOM 1064 N SER B 138 -17.871 6.531 4.296 1.00 21.99 N ATOM 1065 CA SER B 138 -17.203 7.837 4.290 1.00 24.09 C ATOM 1066 C SER B 138 -18.092 8.927 4.919 1.00 28.24 C ATOM 1067 O SER B 138 -17.883 9.344 6.057 1.00 17.92 O ATOM 1068 CB SER B 138 -16.806 8.218 2.866 1.00 31.89 C ATOM 1069 OG SER B 138 -17.818 7.856 1.947 1.00 34.42 O ATOM 1070 HG SER B 138 -18.658 8.326 2.181 1.00 0.00 H ATOM 1071 H SER B 138 -18.852 6.454 3.960 1.00 0.00 H ATOM 1072 N ARG B 139 -19.100 9.372 4.185 1.00 15.19 N ATOM 1073 CA ARG B 139 -20.023 10.383 4.704 1.00 14.84 C ATOM 1074 C ARG B 139 -20.929 9.825 5.808 1.00 11.94 C ATOM 1075 O ARG B 139 -21.333 10.552 6.713 1.00 14.09 O ATOM 1076 CB ARG B 139 -20.868 10.958 3.565 1.00 15.98 C ATOM 1077 CG ARG B 139 -21.751 12.111 3.990 1.00 17.08 C ATOM 1078 CD ARG B 139 -21.940 13.123 2.861 1.00 19.09 C ATOM 1079 NE ARG B 139 -22.641 14.286 3.386 1.00 14.07 N ATOM 1080 CZ ARG B 139 -22.052 15.338 3.941 1.00 18.55 C ATOM 1081 NH1 ARG B 139 -20.720 15.428 4.025 1.00 15.24 N ATOM 1082 NH2 ARG B 139 -22.808 16.310 4.417 1.00 13.91 N ATOM 1083 HE ARG B 139 -23.679 14.293 3.321 1.00 0.00 H ATOM 1084 HH12 ARG B 139 -20.282 16.263 4.464 1.00 0.00 H ATOM 1085 HH11 ARG B 139 -20.123 14.663 3.651 1.00 0.00 H ATOM 1086 HH22 ARG B 139 -22.368 17.144 4.856 1.00 0.00 H ATOM 1087 HH21 ARG B 139 -23.844 16.242 4.353 1.00 0.00 H ATOM 1088 H ARG B 139 -19.238 8.998 3.225 1.00 0.00 H ATOM 1089 N PHE B 140 -21.270 8.542 5.709 1.00 9.49 N ATOM 1090 CA PHE B 140 -22.037 7.810 6.718 1.00 9.46 C ATOM 1091 C PHE B 140 -21.147 6.641 7.129 1.00 9.93 C ATOM 1092 O PHE B 140 -20.936 5.724 6.339 1.00 9.91 O ATOM 1093 CB PHE B 140 -23.377 7.306 6.135 1.00 12.04 C ATOM 1094 CG PHE B 140 -24.357 6.711 7.132 1.00 9.76 C ATOM 1095 CD1 PHE B 140 -23.965 5.796 8.112 1.00 14.60 C ATOM 1096 CD2 PHE B 140 -25.700 7.047 7.049 1.00 11.77 C ATOM 1097 CE1 PHE B 140 -24.901 5.249 8.996 1.00 15.70 C ATOM 1098 CE2 PHE B 140 -26.613 6.505 7.926 1.00 13.36 C ATOM 1099 CZ PHE B 140 -26.228 5.602 8.892 1.00 11.67 C ATOM 1100 H PHE B 140 -20.971 8.025 4.857 1.00 0.00 H ATOM 1101 N GLN B 141 -20.645 6.665 8.370 1.00 8.65 N ATOM 1102 CA GLN B 141 -19.817 5.588 8.892 1.00 8.70 C ATOM 1103 C GLN B 141 -20.426 4.988 10.134 1.00 8.36 C ATOM 1104 O GLN B 141 -21.052 5.704 10.923 1.00 9.39 O ATOM 1105 CB GLN B 141 -18.412 6.081 9.222 1.00 9.48 C ATOM 1106 CG GLN B 141 -17.646 6.528 7.991 1.00 12.91 C ATOM 1107 CD GLN B 141 -16.219 6.956 8.308 1.00 13.97 C ATOM 1108 OE1 GLN B 141 -15.453 6.215 8.920 1.00 15.47 O ATOM 1109 NE2 GLN B 141 -15.868 8.158 7.899 1.00 15.02 N ATOM 1110 HE22 GLN B 141 -16.549 8.752 7.384 1.00 0.00 H ATOM 1111 HE21 GLN B 141 -14.910 8.513 8.091 1.00 0.00 H ATOM 1112 H GLN B 141 -20.854 7.480 8.981 1.00 0.00 H ATOM 1113 N VAL B 142 -20.208 3.680 10.293 1.00 8.20 N ATOM 1114 CA VAL B 142 -20.567 2.963 11.514 1.00 9.30 C ATOM 1115 C VAL B 142 -19.320 2.349 12.104 1.00 8.16 C ATOM 1116 O VAL B 142 -18.639 1.557 11.449 1.00 10.17 O ATOM 1117 CB VAL B 142 -21.609 1.854 11.256 1.00 9.70 C ATOM 1118 CG1 VAL B 142 -21.953 1.150 12.545 1.00 11.40 C ATOM 1119 CG2 VAL B 142 -22.863 2.439 10.645 1.00 10.13 C ATOM 1120 H VAL B 142 -19.764 3.150 9.516 1.00 0.00 H ATOM 1121 N TRP B 143 -18.998 2.746 13.339 1.00 8.00 N ATOM 1122 CA TRP B 143 -17.812 2.252 14.030 1.00 9.09 C ATOM 1123 C TRP B 143 -18.179 1.396 15.230 1.00 9.37 C ATOM 1124 O TRP B 143 -18.882 1.857 16.139 1.00 9.75 O ATOM 1125 CB TRP B 143 -16.936 3.403 14.530 1.00 9.81 C ATOM 1126 CG TRP B 143 -16.270 4.249 13.469 1.00 9.18 C ATOM 1127 CD1 TRP B 143 -16.420 4.154 12.107 1.00 10.74 C ATOM 1128 CD2 TRP B 143 -15.354 5.332 13.701 1.00 8.72 C ATOM 1129 NE1 TRP B 143 -15.650 5.124 11.486 1.00 10.29 N ATOM 1130 CE2 TRP B 143 -14.990 5.854 12.445 1.00 8.36 C ATOM 1131 CE3 TRP B 143 -14.823 5.922 14.853 1.00 11.02 C ATOM 1132 CZ2 TRP B 143 -14.119 6.939 12.312 1.00 10.76 C ATOM 1133 CZ3 TRP B 143 -13.929 7.002 14.721 1.00 13.61 C ATOM 1134 CH2 TRP B 143 -13.590 7.489 13.455 1.00 11.56 C ATOM 1135 HE1 TRP B 143 -15.582 5.275 10.459 1.00 0.00 H ATOM 1136 H TRP B 143 -19.614 3.430 13.824 1.00 0.00 H ATOM 1137 N ASP B 144 -17.669 0.172 15.235 1.00 10.09 N ATOM 1138 CA ASP B 144 -17.726 -0.694 16.407 1.00 10.92 C ATOM 1139 C ASP B 144 -16.681 -0.219 17.414 1.00 9.62 C ATOM 1140 O ASP B 144 -15.532 0.066 17.052 1.00 12.13 O ATOM 1141 CB ASP B 144 -17.465 -2.161 16.046 1.00 9.66 C ATOM 1142 CG ASP B 144 -18.584 -2.790 15.235 1.00 12.67 C ATOM 1143 OD1 ASP B 144 -19.688 -2.225 15.169 1.00 14.60 O ATOM 1144 OD2 ASP B 144 -18.337 -3.885 14.670 1.00 16.31 O ATOM 1145 H ASP B 144 -17.212 -0.184 14.371 1.00 0.00 H ATOM 1146 N TYR B 145 -17.035 -0.172 18.694 1.00 9.61 N ATOM 1147 CA TYR B 145 -16.080 0.290 19.714 1.00 10.61 C ATOM 1148 C TYR B 145 -16.336 -0.324 21.086 1.00 10.59 C ATOM 1149 O TYR B 145 -17.436 -0.870 21.307 1.00 10.65 O ATOM 1150 CB TYR B 145 -16.130 1.823 19.809 1.00 10.78 C ATOM 1151 CG TYR B 145 -17.321 2.360 20.584 1.00 9.10 C ATOM 1152 CD1 TYR B 145 -18.606 2.321 20.044 1.00 11.84 C ATOM 1153 CD2 TYR B 145 -17.159 2.883 21.860 1.00 10.64 C ATOM 1154 CE1 TYR B 145 -19.683 2.799 20.753 1.00 10.04 C ATOM 1155 CE2 TYR B 145 -18.232 3.362 22.572 1.00 13.07 C ATOM 1156 CZ TYR B 145 -19.497 3.312 22.016 1.00 11.83 C ATOM 1157 OH TYR B 145 -20.543 3.787 22.740 1.00 12.77 O ATOM 1158 HH TYR B 145 -21.378 3.686 22.217 1.00 0.00 H ATOM 1159 H TYR B 145 -17.993 -0.463 18.977 1.00 0.00 H ATOM 1160 N GLU B 146 -15.363 -0.235 21.999 1.00 12.63 N ATOM 1161 CA GLU B 146 -15.659 -0.531 23.410 1.00 13.06 C ATOM 1162 C GLU B 146 -15.647 0.761 24.215 1.00 12.82 C ATOM 1163 O GLU B 146 -15.009 1.747 23.838 1.00 14.58 O ATOM 1164 CB GLU B 146 -14.711 -1.554 24.033 1.00 24.16 C ATOM 1165 CG GLU B 146 -13.620 -2.115 23.180 1.00 31.96 C ATOM 1166 CD GLU B 146 -12.966 -3.301 23.868 1.00 37.78 C ATOM 1167 OE1 GLU B 146 -12.428 -3.113 24.978 1.00 33.78 O ATOM 1168 OE2 GLU B 146 -13.013 -4.424 23.315 1.00 27.01 O ATOM 1169 H GLU B 146 -14.402 0.042 21.713 1.00 0.00 H ATOM 1170 N GLU B 147 -16.391 0.749 25.321 1.00 14.95 N ATOM 1171 CA GLU B 147 -16.746 1.985 26.006 1.00 21.07 C ATOM 1172 C GLU B 147 -15.550 2.861 26.383 1.00 17.90 C ATOM 1173 O GLU B 147 -15.636 4.091 26.301 1.00 22.93 O ATOM 1174 CB GLU B 147 -17.595 1.672 27.258 1.00 20.55 C ATOM 1175 CG GLU B 147 -16.925 0.767 28.285 1.00 25.94 C ATOM 1176 CD GLU B 147 -16.045 1.527 29.271 1.00 37.83 C ATOM 1177 OE1 GLU B 147 -16.173 2.768 29.360 1.00 37.12 O ATOM 1178 OE2 GLU B 147 -15.221 0.883 29.953 1.00 33.41 O ATOM 1179 H GLU B 147 -16.724 -0.159 25.702 1.00 0.00 H ATOM 1180 N GLY B 148 -14.429 2.254 26.772 1.00 14.68 N ATOM 1181 CA GLY B 148 -13.310 3.035 27.259 1.00 17.09 C ATOM 1182 C GLY B 148 -12.666 3.986 26.259 1.00 18.69 C ATOM 1183 O GLY B 148 -12.076 4.986 26.644 1.00 20.48 O ATOM 1184 H GLY B 148 -14.357 1.217 26.726 1.00 0.00 H ATOM 1185 N GLU B 149 -12.791 3.691 24.969 1.00 16.93 N ATOM 1186 CA GLU B 149 -12.041 4.418 23.946 1.00 16.26 C ATOM 1187 C GLU B 149 -12.871 5.487 23.238 1.00 12.44 C ATOM 1188 O GLU B 149 -12.364 6.141 22.320 1.00 14.70 O ATOM 1189 CB GLU B 149 -11.513 3.433 22.890 1.00 12.93 C ATOM 1190 CG GLU B 149 -12.628 2.820 22.055 1.00 12.94 C ATOM 1191 CD GLU B 149 -12.145 1.735 21.096 1.00 12.31 C ATOM 1192 OE1 GLU B 149 -12.929 0.799 20.824 1.00 12.22 O ATOM 1193 OE2 GLU B 149 -11.014 1.833 20.580 1.00 14.36 O ATOM 1194 H GLU B 149 -13.436 2.927 24.681 1.00 0.00 H ATOM 1195 N VAL B 150 -14.120 5.703 23.655 1.00 14.60 N ATOM 1196 CA VAL B 150 -15.013 6.515 22.823 1.00 11.12 C ATOM 1197 C VAL B 150 -14.539 7.967 22.681 1.00 11.81 C ATOM 1198 O VAL B 150 -14.634 8.541 21.590 1.00 12.61 O ATOM 1199 CB VAL B 150 -16.486 6.465 23.319 1.00 10.24 C ATOM 1200 CG1 VAL B 150 -16.700 7.304 24.595 1.00 12.37 C ATOM 1201 CG2 VAL B 150 -17.403 6.901 22.198 1.00 11.99 C ATOM 1202 H VAL B 150 -14.454 5.302 24.555 1.00 0.00 H ATOM 1203 N GLU B 151 -13.967 8.552 23.724 1.00 13.03 N ATOM 1204 CA GLU B 151 -13.442 9.904 23.592 1.00 14.22 C ATOM 1205 C GLU B 151 -12.304 9.989 22.574 1.00 18.71 C ATOM 1206 O GLU B 151 -12.243 10.921 21.766 1.00 14.99 O ATOM 1207 CB GLU B 151 -12.952 10.422 24.947 1.00 16.65 C ATOM 1208 CG GLU B 151 -14.074 10.801 25.918 1.00 16.77 C ATOM 1209 CD GLU B 151 -14.520 9.652 26.802 1.00 26.25 C ATOM 1210 OE1 GLU B 151 -13.996 8.523 26.640 1.00 18.09 O ATOM 1211 OE2 GLU B 151 -15.390 9.890 27.676 1.00 16.66 O ATOM 1212 H GLU B 151 -13.894 8.049 24.631 1.00 0.00 H ATOM 1213 N ALA B 152 -11.399 9.017 22.613 1.00 14.71 N ATOM 1214 CA ALA B 152 -10.278 9.018 21.688 1.00 15.27 C ATOM 1215 C ALA B 152 -10.757 8.843 20.253 1.00 13.50 C ATOM 1216 O ALA B 152 -10.187 9.432 19.339 1.00 13.90 O ATOM 1217 CB ALA B 152 -9.315 7.938 22.054 1.00 19.15 C ATOM 1218 H ALA B 152 -11.493 8.251 23.310 1.00 0.00 H ATOM 1219 N LEU B 153 -11.807 8.056 20.061 1.00 11.30 N ATOM 1220 CA LEU B 153 -12.352 7.867 18.727 1.00 9.91 C ATOM 1221 C LEU B 153 -12.982 9.143 18.182 1.00 11.75 C ATOM 1222 O LEU B 153 -12.844 9.438 16.997 1.00 11.63 O ATOM 1223 CB LEU B 153 -13.393 6.744 18.711 1.00 9.63 C ATOM 1224 CG LEU B 153 -12.793 5.346 18.922 1.00 12.91 C ATOM 1225 CD1 LEU B 153 -13.902 4.318 18.942 1.00 13.66 C ATOM 1226 CD2 LEU B 153 -11.763 5.021 17.843 1.00 14.66 C ATOM 1227 H LEU B 153 -12.243 7.571 20.871 1.00 0.00 H ATOM 1228 N LEU B 154 -13.699 9.879 19.032 1.00 11.85 N ATOM 1229 CA LEU B 154 -14.267 11.151 18.599 1.00 10.49 C ATOM 1230 C LEU B 154 -13.158 12.148 18.241 1.00 11.74 C ATOM 1231 O LEU B 154 -13.250 12.836 17.224 1.00 13.39 O ATOM 1232 CB LEU B 154 -15.198 11.714 19.678 1.00 10.65 C ATOM 1233 CG LEU B 154 -16.471 10.878 19.890 1.00 12.92 C ATOM 1234 CD1 LEU B 154 -17.261 11.333 21.143 1.00 14.60 C ATOM 1235 CD2 LEU B 154 -17.361 10.911 18.654 1.00 12.91 C ATOM 1236 H LEU B 154 -13.853 9.546 20.005 1.00 0.00 H ATOM 1237 N ASP B 155 -12.103 12.215 19.050 1.00 11.17 N ATOM 1238 CA ASP B 155 -10.962 13.055 18.704 1.00 11.70 C ATOM 1239 C ASP B 155 -10.409 12.699 17.320 1.00 13.54 C ATOM 1240 O ASP B 155 -10.122 13.582 16.498 1.00 14.31 O ATOM 1241 CB ASP B 155 -9.841 12.906 19.730 1.00 13.11 C ATOM 1242 CG ASP B 155 -10.117 13.630 21.026 1.00 16.86 C ATOM 1243 OD1 ASP B 155 -11.132 14.346 21.124 1.00 19.05 O ATOM 1244 OD2 ASP B 155 -9.288 13.491 21.956 1.00 20.28 O ATOM 1245 H ASP B 155 -12.092 11.666 19.933 1.00 0.00 H ATOM 1246 N ARG B 156 -10.259 11.397 17.068 1.00 13.62 N ATOM 1247 CA ARG B 156 -9.714 10.912 15.800 1.00 13.24 C ATOM 1248 C ARG B 156 -10.594 11.355 14.624 1.00 12.35 C ATOM 1249 O ARG B 156 -10.104 11.830 13.594 1.00 15.43 O ATOM 1250 CB ARG B 156 -9.593 9.381 15.834 1.00 12.69 C ATOM 1251 CG ARG B 156 -9.152 8.740 14.514 1.00 14.21 C ATOM 1252 CD ARG B 156 -9.195 7.203 14.632 1.00 14.40 C ATOM 1253 NE ARG B 156 -8.360 6.721 15.741 1.00 15.33 N ATOM 1254 CZ ARG B 156 -8.361 5.458 16.154 1.00 14.82 C ATOM 1255 NH1 ARG B 156 -7.592 5.078 17.161 1.00 17.10 N ATOM 1256 NH2 ARG B 156 -9.157 4.589 15.562 1.00 15.10 N ATOM 1257 HE ARG B 156 -7.739 7.400 16.225 1.00 0.00 H ATOM 1258 HH12 ARG B 156 -7.600 4.087 17.476 1.00 0.00 H ATOM 1259 HH11 ARG B 156 -6.979 5.770 17.637 1.00 0.00 H ATOM 1260 HH22 ARG B 156 -9.168 3.597 15.875 1.00 0.00 H ATOM 1261 HH21 ARG B 156 -9.773 4.896 14.782 1.00 0.00 H ATOM 1262 H ARG B 156 -10.538 10.707 17.794 1.00 0.00 H ATOM 1263 N TYR B 157 -11.892 11.187 14.788 1.00 12.09 N ATOM 1264 CA TYR B 157 -12.883 11.462 13.750 1.00 10.14 C ATOM 1265 C TYR B 157 -12.817 12.921 13.312 1.00 13.20 C ATOM 1266 O TYR B 157 -12.784 13.235 12.126 1.00 14.04 O ATOM 1267 CB TYR B 157 -14.265 11.136 14.284 1.00 9.20 C ATOM 1268 CG TYR B 157 -15.376 11.342 13.283 1.00 11.98 C ATOM 1269 CD1 TYR B 157 -15.517 10.509 12.169 1.00 11.32 C ATOM 1270 CD2 TYR B 157 -16.302 12.357 13.462 1.00 9.89 C ATOM 1271 CE1 TYR B 157 -16.563 10.700 11.259 1.00 12.06 C ATOM 1272 CE2 TYR B 157 -17.331 12.553 12.575 1.00 12.13 C ATOM 1273 CZ TYR B 157 -17.472 11.723 11.476 1.00 11.75 C ATOM 1274 OH TYR B 157 -18.506 11.924 10.580 1.00 11.62 O ATOM 1275 HH TYR B 157 -18.455 11.245 9.861 1.00 0.00 H ATOM 1276 H TYR B 157 -12.229 10.839 15.708 1.00 0.00 H ATOM 1277 N PHE B 158 -12.755 13.819 14.283 1.00 12.71 N ATOM 1278 CA PHE B 158 -12.798 15.235 13.942 1.00 13.59 C ATOM 1279 C PHE B 158 -11.429 15.802 13.559 1.00 22.35 C ATOM 1280 O PHE B 158 -11.359 16.787 12.831 1.00 20.65 O ATOM 1281 CB PHE B 158 -13.471 16.014 15.086 1.00 19.95 C ATOM 1282 CG PHE B 158 -14.958 15.780 15.152 1.00 15.76 C ATOM 1283 CD1 PHE B 158 -15.784 16.208 14.104 1.00 19.12 C ATOM 1284 CD2 PHE B 158 -15.541 15.079 16.196 1.00 14.22 C ATOM 1285 CE1 PHE B 158 -17.169 15.978 14.126 1.00 13.01 C ATOM 1286 CE2 PHE B 158 -16.910 14.857 16.223 1.00 14.74 C ATOM 1287 CZ PHE B 158 -17.717 15.308 15.184 1.00 11.69 C ATOM 1288 H PHE B 158 -12.677 13.518 15.275 1.00 0.00 H ATOM 1289 N GLU B 159 -10.339 15.161 13.963 1.00 13.92 N ATOM 1290 CA GLU B 159 -9.038 15.625 13.472 1.00 19.69 C ATOM 1291 C GLU B 159 -8.828 15.244 12.004 1.00 24.00 C ATOM 1292 O GLU B 159 -8.178 15.978 11.249 1.00 25.48 O ATOM 1293 CB GLU B 159 -7.885 15.089 14.324 1.00 23.12 C ATOM 1294 CG GLU B 159 -6.519 15.596 13.860 1.00 21.73 C ATOM 1295 CD GLU B 159 -5.518 15.710 14.988 1.00 35.78 C ATOM 1296 OE1 GLU B 159 -5.336 16.832 15.506 1.00 38.95 O ATOM 1297 OE2 GLU B 159 -4.907 14.684 15.352 1.00 53.52 O ATOM 1298 H GLU B 159 -10.406 14.350 14.611 1.00 0.00 H ATOM 1299 N ALA B 160 -9.360 14.095 11.606 1.00 17.63 N ATOM 1300 CA ALA B 160 -9.262 13.641 10.211 1.00 20.35 C ATOM 1301 C ALA B 160 -10.068 14.524 9.243 1.00 22.41 C ATOM 1302 O ALA B 160 -9.640 14.757 8.115 1.00 22.01 O ATOM 1303 CB ALA B 160 -9.718 12.187 10.097 1.00 26.31 C ATOM 1304 H ALA B 160 -9.859 13.501 12.298 1.00 0.00 H ATOM 1305 N ASP B 161 -11.239 14.988 9.681 1.00 19.13 N ATOM 1306 CA ASP B 161 -12.075 15.933 8.918 1.00 19.59 C ATOM 1307 C ASP B 161 -12.691 16.941 9.869 1.00 15.49 C ATOM 1308 O ASP B 161 -13.778 16.716 10.389 1.00 14.90 O ATOM 1309 CB ASP B 161 -13.170 15.202 8.120 1.00 20.15 C ATOM 1310 CG ASP B 161 -13.969 16.137 7.174 1.00 24.45 C ATOM 1311 OD1 ASP B 161 -13.906 17.383 7.288 1.00 21.34 O ATOM 1312 OD2 ASP B 161 -14.688 15.607 6.300 1.00 43.36 O ATOM 1313 H ASP B 161 -11.580 14.667 10.609 1.00 0.00 H ATOM 1314 N PRO B 162 -11.996 18.061 10.108 1.00 16.04 N ATOM 1315 CA PRO B 162 -12.506 19.057 11.063 1.00 18.15 C ATOM 1316 C PRO B 162 -13.835 19.686 10.645 1.00 18.58 C ATOM 1317 O PRO B 162 -14.110 19.798 9.455 1.00 23.73 O ATOM 1318 CB PRO B 162 -11.397 20.115 11.086 1.00 20.93 C ATOM 1319 CG PRO B 162 -10.161 19.372 10.646 1.00 21.12 C ATOM 1320 CD PRO B 162 -10.644 18.388 9.632 1.00 15.23 C ATOM 1321 N LEU B 163 -14.647 20.064 11.627 1.00 19.54 N ATOM 1322 CA LEU B 163 -15.800 20.944 11.421 1.00 24.68 C ATOM 1323 C LEU B 163 -15.316 22.376 11.475 1.00 30.25 C ATOM 1324 O LEU B 163 -14.718 22.784 12.473 1.00 54.48 O ATOM 1325 CB LEU B 163 -16.852 20.759 12.504 1.00 20.48 C ATOM 1326 CG LEU B 163 -17.543 19.421 12.704 1.00 28.88 C ATOM 1327 CD1 LEU B 163 -18.434 19.516 13.933 1.00 26.54 C ATOM 1328 CD2 LEU B 163 -18.344 19.047 11.473 1.00 20.67 C ATOM 1329 H LEU B 163 -14.454 19.718 12.589 1.00 0.00 H ATOM 1330 N GLU B 164 -15.580 23.160 10.440 1.00 32.95 N ATOM 1331 CA GLU B 164 -15.081 24.529 10.426 1.00 39.14 C ATOM 1332 C GLU B 164 -16.158 25.566 10.742 1.00 45.44 C ATOM 1333 O GLU B 164 -17.346 25.255 10.798 1.00 43.23 O ATOM 1334 CB GLU B 164 -14.440 24.839 9.075 1.00 54.32 C ATOM 1335 CG GLU B 164 -13.253 23.943 8.743 1.00 51.44 C ATOM 1336 CD GLU B 164 -13.620 22.805 7.805 1.00 57.41 C ATOM 1337 OE1 GLU B 164 -12.693 22.125 7.311 1.00 33.16 O ATOM 1338 OE2 GLU B 164 -14.830 22.586 7.570 1.00 35.53 O ATOM 1339 H GLU B 164 -16.141 22.800 9.641 1.00 0.00 H TER 1340 GLU B 164 HETATM 1341 CA CA A 1 -14.109 19.962 7.120 1.00 24.94 CA HETATM 1342 O HOH 2 -11.160 16.755 5.516 1.00 45.39 O HETATM 1343 O HOH 3 -31.952 -4.057 26.874 1.00 32.47 O HETATM 1344 O HOH 4 -48.205 14.498 16.417 1.00 42.56 O HETATM 1345 O HOH 5 -19.401 9.347 1.358 1.00 33.36 O HETATM 1346 O HOH 6 -25.797 16.559 28.546 1.00 25.53 O HETATM 1347 O HOH 7 -25.784 19.323 29.130 1.00 27.14 O HETATM 1348 O HOH 8 -34.914 -1.582 24.862 1.00 4.75 O HETATM 1349 O HOH 9 -18.471 24.469 21.329 1.00 31.43 O HETATM 1350 O HOH 10 -17.029 16.070 5.895 1.00 52.97 O HETATM 1351 O HOH 11 -26.315 14.520 33.226 1.00 17.68 O HETATM 1352 O HOH 12 -20.722 10.251 32.347 1.00 25.89 O HETATM 1353 O HOH 13 -34.501 -1.364 27.199 1.00 20.29 O HETATM 1354 O HOH 14 -46.193 10.616 24.602 1.00 44.36 O HETATM 1355 O HOH 15 -33.131 -2.881 30.437 1.00 17.56 O HETATM 1356 O HOH 16 -22.854 -0.385 4.534 1.00 33.02 O HETATM 1357 O HOH 17 -26.930 6.246 3.130 1.00 30.01 O HETATM 1358 O HOH 18 -39.365 9.470 23.220 1.00 8.92 O HETATM 1359 O HOH 19 -37.581 13.676 39.348 1.00 35.84 O HETATM 1360 O HOH 20 -26.855 23.907 23.189 1.00 34.93 O HETATM 1361 O HOH 21 -22.117 11.619 35.763 1.00 25.41 O HETATM 1362 O HOH 22 -23.852 1.140 29.141 1.00 29.84 O HETATM 1363 O HOH 23 -17.442 19.764 26.994 1.00 21.39 O HETATM 1364 O HOH 24 -35.321 26.992 19.823 1.00 39.56 O HETATM 1365 O HOH 25 -28.307 11.249 1.138 1.00 43.24 O HETATM 1366 O HOH 26 -17.712 17.789 7.312 1.00 29.21 O HETATM 1367 O HOH 27 -26.619 16.366 -1.476 1.00 40.45 O HETATM 1368 O HOH 28 -26.034 23.009 29.106 1.00 27.14 O HETATM 1369 O HOH 29 -30.789 19.949 24.123 1.00 19.73 O HETATM 1370 O HOH 30 -24.750 -5.369 11.682 1.00 17.84 O HETATM 1371 O HOH 31 -35.308 14.536 6.126 1.00 10.01 O HETATM 1372 O HOH 32 -34.617 -1.386 22.594 1.00 13.16 O HETATM 1373 O HOH 33 -25.400 10.933 35.727 1.00 38.86 O HETATM 1374 O HOH 34 -20.984 25.774 21.805 1.00 35.02 O HETATM 1375 O HOH 35 -25.752 24.654 26.778 1.00 17.51 O HETATM 1376 O HOH 36 -20.359 19.230 7.716 1.00 24.57 O HETATM 1377 O HOH 37 -38.106 3.777 20.551 1.00 7.32 O HETATM 1378 O HOH 38 -27.706 -9.082 22.498 1.00 46.87 O HETATM 1379 O HOH 39 -20.219 17.784 5.474 1.00 26.24 O HETATM 1380 O HOH 40 -23.215 -11.080 18.915 1.00 30.28 O HETATM 1381 O HOH 41 -25.675 17.757 2.218 1.00 28.96 O HETATM 1382 O HOH 42 -10.473 16.843 22.291 1.00 31.05 O HETATM 1383 O HOH 43 -31.814 15.596 36.094 1.00 21.19 O HETATM 1384 O HOH 44 -26.971 -2.671 29.526 1.00 44.30 O HETATM 1385 O HOH 45 -18.722 13.861 2.742 1.00 38.20 O HETATM 1386 O HOH 46 -45.730 17.000 9.960 1.00 45.45 O HETATM 1387 O HOH 47 -37.910 0.920 26.872 1.00 20.11 O HETATM 1388 O HOH 48 -22.373 21.774 7.051 1.00 35.14 O HETATM 1389 O HOH 49 -37.212 17.812 25.103 1.00 36.69 O HETATM 1390 O HOH 50 -12.000 19.363 6.402 1.00 29.71 O HETATM 1391 O HOH 51 -28.376 13.829 34.966 1.00 31.42 O HETATM 1392 O HOH 52 -33.562 17.170 34.263 1.00 24.30 O HETATM 1393 O HOH 53 -37.711 16.445 4.826 1.00 19.61 O HETATM 1394 O HOH 54 -32.287 26.304 19.669 1.00 28.78 O HETATM 1395 O HOH 55 -34.841 11.572 41.002 1.00 43.72 O HETATM 1396 O HOH 56 -23.363 22.397 23.665 1.00 27.02 O HETATM 1397 O HOH 57 -19.069 23.000 10.013 1.00 38.21 O HETATM 1398 O HOH 58 -24.703 10.656 0.632 1.00 35.94 O HETATM 1399 O HOH 59 -30.152 -2.929 16.192 1.00 30.85 O HETATM 1400 O HOH 60 -42.785 18.532 10.448 1.00 33.47 O HETATM 1401 O HOH 61 -12.580 22.893 22.601 1.00 37.33 O HETATM 1402 O HOH 62 -41.780 16.014 9.460 1.00 27.39 O HETATM 1403 O HOH 63 -16.430 20.087 7.087 1.00 36.22 O HETATM 1404 O HOH 64 -31.674 12.737 -0.243 1.00 40.72 O HETATM 1405 O HOH 65 -28.711 15.080 34.061 1.00 41.02 O HETATM 1406 O HOH 66 -26.193 -1.828 27.815 1.00 47.63 O HETATM 1407 O HOH 67 -15.039 16.655 27.527 1.00 35.26 O HETATM 1408 O HOH 68 -21.075 -0.446 7.479 1.00 36.89 O HETATM 1409 O HOH 69 -41.485 7.148 28.639 1.00 42.71 O HETATM 1410 O HOH 70 -39.418 18.869 8.918 1.00 42.27 O HETATM 1411 O HOH 71 -34.153 -3.801 25.046 1.00 27.52 O HETATM 1412 O HOH 72 -27.078 11.899 36.625 1.00 30.29 O HETATM 1413 O HOH 73 -30.185 14.515 39.054 1.00 35.37 O HETATM 1414 O HOH 74 -20.552 -6.178 11.238 1.00 40.21 O HETATM 1415 O HOH 75 -32.899 17.670 30.434 1.00 28.60 O HETATM 1416 O HOH 76 -35.385 14.450 1.098 1.00 26.54 O HETATM 1417 O HOH 77 -19.804 0.909 5.647 1.00 39.87 O HETATM 1418 O HOH 78 -34.222 -5.582 23.448 1.00 38.39 O HETATM 1419 O HOH 79 -27.942 18.190 0.560 1.00 38.78 O HETATM 1420 O HOH 80 -33.129 -0.207 31.785 1.00 35.89 O HETATM 1421 O HOH 81 -5.809 10.671 15.169 1.00 31.09 O HETATM 1422 O HOH 82 -18.386 21.523 8.340 1.00 37.92 O HETATM 1423 O HOH 83 -51.568 11.770 16.911 1.00 42.76 O HETATM 1424 O HOH 84 -26.234 19.649 3.822 1.00 36.73 O HETATM 1425 O HOH 85 -22.953 -7.328 12.253 1.00 37.90 O HETATM 1426 O HOH 86 -40.159 4.685 28.168 1.00 27.92 O HETATM 1427 O HOH 87 -35.515 15.801 3.484 1.00 16.03 O HETATM 1428 O HOH 88 -41.138 13.609 32.848 1.00 44.05 O HETATM 1429 O HOH 89 -26.746 16.169 31.109 1.00 23.30 O HETATM 1430 O HOH 90 -38.028 19.305 4.948 1.00 32.15 O HETATM 1431 O HOH 91 -22.005 24.697 23.680 1.00 27.17 O HETATM 1432 O HOH 92 -37.219 21.177 22.701 1.00 33.36 O HETATM 1433 O HOH 93 -10.347 19.510 21.065 1.00 41.66 O HETATM 1434 O HOH 94 -36.826 0.578 29.328 1.00 42.22 O HETATM 1435 O HOH 95 -19.098 8.623 33.775 1.00 45.15 O HETATM 1436 O HOH 96 -17.238 30.662 20.724 1.00 50.13 O HETATM 1437 O HOH 97 -19.642 30.326 21.011 1.00 42.48 O HETATM 1438 O HOH 98 -21.159 29.984 18.734 1.00 43.62 O HETATM 1439 O HOH 99 -32.872 10.106 39.762 1.00 44.23 O HETATM 1440 O HOH 100 -11.008 0.951 18.093 1.00 10.96 O HETATM 1441 O HOH 101 -6.155 8.331 16.334 1.00 21.22 O HETATM 1442 O HOH 102 -8.808 3.335 20.465 1.00 26.18 O HETATM 1443 O HOH 103 -23.652 17.549 7.337 1.00 14.74 O HETATM 1444 O HOH 104 -23.343 -5.760 14.552 1.00 13.13 O HETATM 1445 O HOH 105 -25.868 11.359 4.311 1.00 18.55 O HETATM 1446 O HOH 106 -10.981 7.468 25.283 1.00 19.36 O HETATM 1447 O HOH 107 -18.951 9.950 8.879 1.00 12.89 O HETATM 1448 O HOH 108 -17.989 -3.250 22.611 1.00 18.04 O HETATM 1449 O HOH 109 -17.818 -2.012 25.618 1.00 18.01 O HETATM 1450 O HOH 110 -27.228 2.922 23.003 1.00 9.34 O HETATM 1451 O HOH 111 -9.307 -0.201 20.937 1.00 13.82 O HETATM 1452 O HOH 112 -31.338 8.284 27.249 1.00 14.28 O HETATM 1453 O HOH 113 -14.817 -3.270 27.359 1.00 46.91 O HETATM 1454 O HOH 114 -39.242 21.817 12.707 1.00 32.22 O HETATM 1455 O HOH 115 -12.764 -1.652 19.765 1.00 11.30 O HETATM 1456 O HOH 116 -23.667 3.729 30.164 1.00 28.87 O HETATM 1457 O HOH 117 -13.338 11.887 9.800 1.00 21.66 O HETATM 1458 O HOH 118 -30.427 6.805 33.998 1.00 46.25 O HETATM 1459 O HOH 119 -16.376 12.395 27.895 1.00 13.92 O HETATM 1460 O HOH 120 -19.453 -0.677 9.938 1.00 17.69 O HETATM 1461 O HOH 121 -5.740 6.466 18.878 1.00 17.10 O HETATM 1462 O HOH 122 -28.697 -1.791 18.100 1.00 12.85 O HETATM 1463 O HOH 123 -10.956 19.308 14.590 1.00 29.73 O HETATM 1464 O HOH 124 -13.641 19.869 14.229 1.00 20.68 O HETATM 1465 O HOH 125 -29.711 3.503 26.298 1.00 11.23 O HETATM 1466 O HOH 126 -37.333 4.671 28.724 1.00 27.09 O HETATM 1467 O HOH 127 -18.954 2.416 7.920 1.00 13.17 O HETATM 1468 O HOH 128 -36.659 19.000 21.871 1.00 23.23 O HETATM 1469 O HOH 129 -15.594 -4.594 21.632 1.00 33.77 O HETATM 1470 O HOH 130 -15.879 -4.405 13.943 1.00 33.75 O HETATM 1471 O HOH 131 -35.831 8.710 32.399 1.00 31.95 O HETATM 1472 O HOH 132 -7.456 10.124 19.322 1.00 24.19 O HETATM 1473 O HOH 133 -21.203 3.727 31.346 1.00 41.02 O HETATM 1474 O HOH 134 -34.580 2.292 30.590 1.00 24.37 O HETATM 1475 O HOH 135 -15.119 -3.031 19.497 1.00 23.21 O HETATM 1476 O HOH 136 -8.813 5.836 24.962 1.00 29.62 O HETATM 1477 O HOH 137 -11.110 6.151 11.613 1.00 29.48 O HETATM 1478 O HOH 138 -10.223 -1.338 23.274 1.00 21.39 O HETATM 1479 O HOH 139 -34.697 18.286 2.366 1.00 25.55 O HETATM 1480 O HOH 140 -13.368 1.578 16.815 1.00 16.64 O HETATM 1481 O HOH 141 -25.888 4.303 31.901 1.00 24.02 O HETATM 1482 O HOH 142 -41.204 22.971 19.036 1.00 28.79 O HETATM 1483 O HOH 143 -14.694 21.996 15.577 1.00 23.97 O HETATM 1484 O HOH 144 -22.133 -8.213 19.084 1.00 32.28 O HETATM 1485 O HOH 145 -26.026 25.607 12.202 1.00 40.36 O HETATM 1486 O HOH 146 -11.721 -3.651 21.439 1.00 29.20 O HETATM 1487 O HOH 147 -12.205 9.257 10.704 1.00 34.60 O HETATM 1488 O HOH 148 -29.696 4.211 20.777 1.00 9.06 O HETATM 1489 O HOH 149 -23.173 26.894 17.369 1.00 30.67 O HETATM 1490 O HOH 150 -9.515 16.190 17.641 1.00 27.80 O HETATM 1491 O HOH 151 -15.560 11.921 8.153 1.00 42.61 O HETATM 1492 O HOH 152 -18.950 -4.804 12.167 1.00 49.82 O HETATM 1493 O HOH 153 -30.398 20.515 6.188 1.00 35.12 O HETATM 1494 O HOH 154 -19.857 5.493 30.872 1.00 35.27 O HETATM 1495 O HOH 155 -30.084 4.880 32.921 1.00 35.61 O HETATM 1496 O HOH 156 -22.938 -3.078 27.283 1.00 39.72 O HETATM 1497 O HOH 157 -9.670 9.693 26.025 1.00 44.16 O HETATM 1498 O HOH 158 -30.614 16.421 0.832 1.00 42.40 O HETATM 1499 O HOH 159 -9.515 18.714 16.549 1.00 38.33 O HETATM 1500 O HOH 160 -7.377 11.616 21.999 1.00 35.77 O HETATM 1501 O HOH 161 -14.367 14.356 27.485 1.00 24.78 O HETATM 1502 O HOH 162 -27.099 27.042 18.805 1.00 40.01 O HETATM 1503 O HOH 163 -25.580 8.763 3.482 1.00 26.00 O HETATM 1504 O HOH 164 -14.123 -4.132 15.593 1.00 38.05 O HETATM 1505 O HOH 165 -21.539 -7.233 16.189 1.00 31.82 O HETATM 1506 O HOH 166 -25.687 26.054 17.044 1.00 37.39 O HETATM 1507 O HOH 167 -11.790 5.817 29.352 1.00 41.18 O HETATM 1508 O HOH 168 -14.414 4.446 30.918 1.00 41.52 O HETATM 1509 O HOH 169 -39.170 24.351 17.205 1.00 44.05 O HETATM 1510 O HOH 170 -43.007 23.775 17.068 1.00 38.23 O HETATM 1511 O HOH 171 -36.992 6.611 31.067 1.00 50.68 O HETATM 1512 O HOH 172 -29.704 27.037 17.161 1.00 40.15 O HETATM 1513 O HOH 173 -28.446 19.361 4.909 1.00 34.88 O HETATM 1514 O HOH 174 -23.191 25.763 11.640 1.00 52.00 O HETATM 1515 O HOH 175 -25.012 19.736 6.340 1.00 24.78 O HETATM 1516 O HOH 176 -33.037 16.136 21.487 1.00 30.23 O HETATM 1517 O HOH 177 -17.409 -2.473 10.663 1.00 41.92 O HETATM 1518 O HOH 178 -13.164 9.274 8.715 1.00 38.66 O HETATM 1519 O HOH 179 -33.535 24.446 11.075 1.00 34.88 O HETATM 1520 O HOH 180 -19.825 -6.173 15.222 1.00 37.69 O HETATM 1521 O HOH 181 -12.530 6.319 9.237 1.00 34.94 O HETATM 1522 O HOH 182 -29.425 7.516 36.079 1.00 48.98 O HETATM 1523 O HOH 183 -14.140 9.306 30.131 1.00 38.61 O HETATM 1524 O HOH 184 -8.863 3.183 25.397 1.00 39.70 O HETATM 1525 O HOH 185 -27.408 6.472 35.238 1.00 52.79 O HETATM 1526 O HOH 186 -32.633 17.330 23.689 1.00 33.87 O HETATM 1527 O HOH 187 -27.276 26.022 14.913 1.00 31.03 O HETATM 1528 O HOH 188 -10.894 -5.066 25.249 1.00 27.00 O HETATM 1529 O HOH 189 -7.720 5.728 20.868 1.00 38.47 O HETATM 1530 O HOH 190 -19.721 1.961 30.228 1.00 44.75 O HETATM 1531 O HOH 191 -10.164 1.700 26.575 1.00 42.06 O HETATM 1532 O HOH 192 -36.380 9.293 34.975 1.00 38.88 O HETATM 1533 O HOH 193 -10.122 2.558 29.221 1.00 41.61 O HETATM 1534 O HOH 194 -12.672 1.883 30.843 1.00 42.97 O HETATM 1535 O HOH 195 -7.113 18.174 10.277 1.00 42.93 O HETATM 1536 O HOH 196 -7.968 4.139 22.416 1.00 35.28 O HETATM 1537 O HOH 197 -16.370 1.581 8.076 1.00 23.43 O HETATM 1538 O HOH 198 -12.036 12.260 7.487 1.00 42.17 O HETATM 1539 O HOH 199 -18.539 6.372 33.388 1.00 47.32 O HETATM 1540 O HOH 200 -17.567 11.982 6.795 1.00 44.89 O HETATM 1541 O HOH 201 -10.935 9.334 28.001 1.00 54.89 O HETATM 1542 O HOH 202 -21.820 -9.649 14.945 1.00 47.50 O HETATM 1543 O HOH 203 -7.012 18.294 12.249 1.00 49.97 O HETATM 1544 O HOH 204 -33.276 13.848 0.242 1.00 45.25 O HETATM 1545 O HOH 205 -51.444 15.863 6.468 1.00 40.41 O HETATM 1546 O HOH 206 -21.408 -3.981 6.869 1.00 39.99 O HETATM 1547 O HOH 207 -38.666 13.949 -1.088 1.00 34.99 O HETATM 1548 O HOH 208 -31.661 -6.019 10.697 1.00 8.86 O HETATM 1549 O HOH 209 -30.837 -7.552 -0.971 1.00 35.08 O HETATM 1550 O HOH 210 -41.590 10.857 -2.983 1.00 42.38 O HETATM 1551 O HOH 211 -36.091 -3.207 20.950 1.00 11.79 O HETATM 1552 O HOH 212 -30.223 -5.361 17.608 1.00 11.21 O HETATM 1553 O HOH 213 -33.758 -10.335 16.244 1.00 23.93 O HETATM 1554 O HOH 214 -42.968 -4.491 22.096 1.00 26.49 O HETATM 1555 O HOH 215 -44.024 14.418 9.773 1.00 36.04 O HETATM 1556 O HOH 216 -24.295 -5.803 0.552 1.00 16.25 O HETATM 1557 O HOH 217 -32.963 -2.220 15.629 1.00 7.99 O HETATM 1558 O HOH 218 -49.627 11.350 17.397 1.00 31.50 O HETATM 1559 O HOH 219 -40.668 14.025 -1.726 1.00 45.44 O HETATM 1560 O HOH 220 -32.875 -8.403 19.089 1.00 33.53 O HETATM 1561 O HOH 221 -44.852 -6.307 21.576 1.00 25.14 O HETATM 1562 O HOH 222 -40.918 2.631 24.059 1.00 10.05 O HETATM 1563 O HOH 223 -39.439 -10.823 23.886 1.00 13.97 O HETATM 1564 O HOH 224 -46.270 8.498 22.744 1.00 16.13 O HETATM 1565 O HOH 225 -40.581 15.700 4.354 1.00 28.10 O HETATM 1566 O HOH 226 -35.918 9.727 2.141 1.00 9.33 O HETATM 1567 O HOH 227 -39.604 16.277 1.515 1.00 21.44 O HETATM 1568 O HOH 228 -47.276 17.702 8.371 1.00 43.36 O HETATM 1569 O HOH 229 -38.679 -9.064 20.616 1.00 12.35 O HETATM 1570 O HOH 230 -33.492 10.625 -0.073 1.00 26.37 O HETATM 1571 O HOH 231 -41.852 2.582 27.538 1.00 17.78 O HETATM 1572 O HOH 232 -30.193 -4.309 -3.641 1.00 23.24 O HETATM 1573 O HOH 233 -52.175 10.463 14.288 1.00 11.86 O HETATM 1574 O HOH 234 -35.223 -15.024 13.090 1.00 35.63 O HETATM 1575 O HOH 235 -40.855 3.501 21.453 1.00 8.31 O HETATM 1576 O HOH 236 -46.314 13.768 2.969 1.00 33.21 O HETATM 1577 O HOH 237 -43.048 1.926 29.874 1.00 20.75 O HETATM 1578 O HOH 238 -40.516 0.203 26.861 1.00 23.77 O HETATM 1579 O HOH 239 -29.372 6.297 1.268 1.00 21.51 O HETATM 1580 O HOH 240 -26.665 -13.579 9.433 1.00 47.04 O HETATM 1581 O HOH 241 -20.301 -11.126 1.528 1.00 40.93 O HETATM 1582 O HOH 242 -34.086 -7.954 21.282 1.00 32.61 O HETATM 1583 O HOH 243 -50.273 9.198 23.932 1.00 40.48 O HETATM 1584 O HOH 244 -29.083 8.453 0.032 1.00 42.65 O HETATM 1585 O HOH 245 -35.617 11.885 0.289 1.00 17.50 O HETATM 1586 O HOH 246 -47.792 8.479 24.694 1.00 47.33 O HETATM 1587 O HOH 247 -30.620 -6.907 -3.880 1.00 27.70 O HETATM 1588 O HOH 248 -34.425 -9.336 -2.089 1.00 46.81 O HETATM 1589 O HOH 249 -23.224 -11.036 12.550 1.00 46.03 O HETATM 1590 O HOH 250 -21.078 -7.384 1.894 1.00 35.56 O HETATM 1591 O HOH 251 -36.348 -10.340 -0.997 1.00 40.02 O HETATM 1592 O HOH 252 -34.171 -5.791 1.192 1.00 19.81 O HETATM 1593 O HOH 253 -22.579 -5.653 2.570 1.00 32.75 O HETATM 1594 O HOH 254 -42.598 1.506 20.741 1.00 10.45 O HETATM 1595 O HOH 255 -47.633 5.844 23.978 1.00 11.87 O HETATM 1596 O HOH 256 -41.418 -2.580 15.277 1.00 8.94 O HETATM 1597 O HOH 257 -43.923 -4.530 17.144 1.00 8.03 O HETATM 1598 O HOH 258 -41.252 -7.821 17.165 1.00 8.50 O HETATM 1599 O HOH 259 -52.101 7.953 22.360 1.00 32.38 O HETATM 1600 O HOH 260 -48.722 1.550 27.554 1.00 29.14 O HETATM 1601 O HOH 261 -33.109 -7.994 0.293 1.00 35.34 O HETATM 1602 O HOH 262 -56.295 11.566 12.972 1.00 21.47 O HETATM 1603 O HOH 263 -39.842 -9.700 12.670 1.00 14.23 O HETATM 1604 O HOH 264 -34.131 -9.639 2.959 1.00 25.46 O HETATM 1605 O HOH 265 -51.572 9.080 17.889 1.00 16.55 O HETATM 1606 O HOH 266 -31.916 2.064 -3.369 1.00 24.80 O HETATM 1607 O HOH 267 -45.398 13.388 7.319 1.00 35.59 O HETATM 1608 O HOH 268 -51.541 5.553 24.465 1.00 32.04 O HETATM 1609 O HOH 269 -28.581 4.498 -0.675 1.00 37.36 O HETATM 1610 O HOH 270 -40.839 8.400 -3.579 1.00 28.61 O HETATM 1611 O HOH 271 -49.319 4.410 25.620 1.00 35.15 O HETATM 1612 O HOH 272 -39.808 -8.877 0.892 1.00 30.18 O HETATM 1613 O HOH 273 -23.055 -4.377 -1.659 1.00 33.50 O HETATM 1614 O HOH 274 -36.113 -8.866 1.532 1.00 40.90 O HETATM 1615 O HOH 275 -55.117 6.481 22.115 1.00 40.70 O HETATM 1616 O HOH 276 -24.450 -13.970 6.919 1.00 36.48 O HETATM 1617 O HOH 277 -28.437 -17.206 9.653 1.00 44.70 O HETATM 1618 O HOH 278 -54.653 9.516 13.771 1.00 34.56 O HETATM 1619 O HOH 279 -55.072 8.169 24.378 1.00 48.85 O HETATM 1620 O HOH 280 -23.567 -7.775 5.534 1.00 20.60 O HETATM 1621 O HOH 281 -45.258 12.097 4.871 1.00 25.55 O HETATM 1622 O HOH 282 -53.637 4.169 26.315 1.00 39.57 O HETATM 1623 O HOH 283 -23.349 -2.055 -2.668 1.00 52.12 O HETATM 1624 C1 N A 6 -39.106 14.753 25.964 1.00 -0.04 C HETATM 1625 C2 N A 6 -39.947 14.500 27.041 1.00 -0.01 C HETATM 1626 C3 N A 6 -40.662 15.558 27.615 1.00 -0.05 C HETATM 1627 C4 N A 6 -41.493 15.319 28.704 1.00 -0.06 C HETATM 1628 C5 N A 6 -41.623 14.030 29.217 1.00 -0.06 C HETATM 1629 C6 N A 6 -40.914 12.974 28.644 1.00 -0.05 C HETATM 1630 C7 N A 6 -40.075 13.208 27.550 1.00 -0.02 C HETATM 1631 C8 N A 6 -39.377 12.149 26.976 1.00 -0.05 C HETATM 1632 C9 N A 6 -38.556 12.396 25.890 1.00 -0.05 C HETATM 1633 C10 N A 6 -38.450 13.698 25.358 1.00 0.00 C HETATM 1634 C11 N A 6 -37.520 13.954 24.197 1.00 0.07 C HETATM 1635 N1 N A 6 -36.912 15.160 24.068 1.00 -0.28 N HETATM 1636 C12 N A 6 -36.068 15.430 23.086 1.00 0.07 C HETATM 1637 N2 N A 6 -35.736 14.544 22.139 1.00 -0.25 N HETATM 1638 C13 N A 6 -36.280 13.313 22.214 1.00 0.17 C HETATM 1639 C14 N A 6 -37.206 12.964 23.221 1.00 0.09 C HETATM 1640 N3 N A 6 -37.588 11.676 22.994 1.00 -0.29 N HETATM 1641 C15 N A 6 -36.921 11.273 21.884 1.00 0.12 C HETATM 1642 N4 N A 6 -36.124 12.240 21.375 1.00 -0.19 N HETATM 1643 C16 N A 6 -35.187 12.195 20.316 1.00 0.20 C HETATM 1644 O1 N A 6 -35.276 10.733 19.728 1.00 -0.34 O HETATM 1645 C19 N A 6 -34.251 9.922 20.129 1.00 0.12 C HETATM 1646 C18 N A 6 -33.161 10.820 20.763 1.00 0.11 C HETATM 1647 C17 N A 6 -33.910 12.208 20.853 1.00 0.14 C HETATM 1648 O2 N A 6 -33.002 13.198 20.227 1.00 -0.38 O HETATM 1649 H N A 6 -32.915 13.005 19.301 1.00 0.21 H HETATM 1650 H N A 6 -34.020 12.469 21.916 1.00 0.07 H HETATM 1651 O3 N A 6 -31.946 10.777 20.078 1.00 -0.39 O HETATM 1652 H N A 6 -32.082 11.045 19.177 1.00 0.21 H HETATM 1653 H N A 6 -32.950 10.472 21.785 1.00 0.06 H HETATM 1654 C20 N A 6 -34.722 8.923 21.176 1.00 0.11 C HETATM 1655 O4 N A 6 -35.834 8.179 20.597 1.00 -0.27 O HETATM 1656 P1 N A 6 -36.660 7.144 21.481 1.00 0.20 P HETATM 1657 O5 N A 6 -37.618 6.540 20.478 1.00 -0.55 O HETATM 1658 O6 N A 6 -35.678 6.118 22.016 1.00 -0.55 O HETATM 1659 O7 N A 6 -37.325 7.885 22.616 1.00 -0.55 O HETATM 1660 H N A 6 -35.055 9.454 22.080 1.00 0.06 H HETATM 1661 H N A 6 -33.904 8.235 21.435 1.00 0.06 H HETATM 1662 H N A 6 -33.843 9.382 19.262 1.00 0.07 H HETATM 1663 H N A 6 -35.354 12.987 19.571 1.00 0.10 H HETATM 1664 H N A 6 -37.017 10.279 21.450 1.00 0.14 H HETATM 1665 H N A 6 -35.623 16.418 23.046 1.00 0.10 H HETATM 1666 H N A 6 -37.991 11.585 25.446 1.00 0.06 H HETATM 1667 H N A 6 -39.475 11.146 27.374 1.00 0.06 H HETATM 1668 H N A 6 -41.013 11.973 29.047 1.00 0.06 H HETATM 1669 H N A 6 -42.276 13.848 30.063 1.00 0.06 H HETATM 1670 H N A 6 -42.041 16.138 29.155 1.00 0.06 H HETATM 1671 H N A 6 -40.568 16.560 27.212 1.00 0.06 H HETATM 1672 H N A 6 -38.966 15.766 25.603 1.00 0.07 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 440 441 444 445 446 CONECT 444 440 CONECT 445 440 CONECT 446 440 CONECT 1311 1310 1341 CONECT 1317 1316 1341 CONECT 1337 1336 1341 CONECT 1341 1311 1317 1337 CONECT 1624 1625 1633 1672 CONECT 1625 1624 1626 1630 CONECT 1626 1625 1627 1671 CONECT 1627 1626 1628 1670 CONECT 1628 1627 1629 1669 CONECT 1629 1628 1630 1668 CONECT 1630 1625 1629 1631 CONECT 1631 1630 1632 1667 CONECT 1632 1631 1633 1666 CONECT 1633 1624 1632 1634 CONECT 1634 1633 1635 1639 CONECT 1635 1634 1636 CONECT 1636 1635 1637 1665 CONECT 1637 1636 1638 CONECT 1638 1637 1639 1642 CONECT 1639 1634 1638 1640 CONECT 1640 1639 1641 CONECT 1641 1640 1642 1664 CONECT 1642 1638 1641 1643 CONECT 1643 1642 1644 1647 1663 CONECT 1644 1643 1645 CONECT 1645 1644 1646 1654 1662 CONECT 1646 1645 1647 1651 1653 CONECT 1647 1643 1646 1648 1650 CONECT 1648 1647 1649 CONECT 1649 1648 CONECT 1650 1647 CONECT 1651 1646 1652 CONECT 1652 1651 CONECT 1653 1646 CONECT 1654 1645 1655 1660 1661 CONECT 1655 1654 1656 CONECT 1656 1655 1657 1658 1659 CONECT 1657 1656 CONECT 1658 1656 CONECT 1659 1656 CONECT 1660 1654 CONECT 1661 1654 CONECT 1662 1645 CONECT 1663 1643 CONECT 1664 1641 CONECT 1665 1636 CONECT 1666 1632 CONECT 1667 1631 CONECT 1668 1629 CONECT 1669 1628 CONECT 1670 1627 CONECT 1671 1626 CONECT 1672 1624 MASTER 0 0 0 0 0 0 0 0 1670 2 61 12 END
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Structure:
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Related entries of code: 4p5e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
4p5d
RCSB PDB
PDBbind
N6P
Entry Information
PDB ID
4p5e
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
2'-deoxynucleoside 5'-phosphate N-hydrolase 1 DNPH1
Ligand Name
N6P
EC.Number
E.C.3.2.2
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=2.8uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Eur.J.Med.Chem. Vol. 85C: pp. 418-437
Ligand Properties
Formula
C
2
0
H
2
0
N
4
O
7
P
Molecular Weight
459.369
Exact Mass
459.107
No. of atoms
52
No. of bonds
56
Polar Surface Area
176.8
LOGP Value
-0.45 (
Computed with XLOGP3
)
0.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2c1ccc2c(c1)cccc2)COP(O)(O)O
InChI String
InChI=1S/C20H21N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-29,32H,8H2/t14-,17-,18-,20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43598
Entrez Gene ID
NCBI Entrez Gene ID:
10591
ASD
Information of known allosteric effects of PDB entries
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