Browse entries in the PDBbind-CN Database
HEADER 6EQ2_COMPLEX COMPND 6EQ2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET BU A 8 16 ATOM 1 N ALA A 3 -17.753 -6.271 16.395 1.00 31.78 N ATOM 2 CA ALA A 3 -18.131 -5.278 17.401 1.00 30.67 C ATOM 3 C ALA A 3 -17.935 -3.868 16.857 1.00 28.17 C ATOM 4 O ALA A 3 -17.169 -3.070 17.404 1.00 26.55 O ATOM 5 CB ALA A 3 -17.322 -5.473 18.669 1.00 30.95 C ATOM 6 HN3 ALA A 3 -16.753 -6.142 16.141 1.00 0.00 H ATOM 7 HN2 ALA A 3 -18.346 -6.149 15.549 1.00 0.00 H ATOM 8 HN1 ALA A 3 -17.893 -7.226 16.783 1.00 0.00 H ATOM 9 N SER A 4 -18.623 -3.559 15.768 1.00 26.71 N ATOM 10 CA SER A 4 -18.492 -2.254 15.142 1.00 28.84 C ATOM 11 C SER A 4 -19.867 -1.634 14.945 1.00 26.17 C ATOM 12 O SER A 4 -20.898 -2.314 14.987 1.00 28.29 O ATOM 13 CB SER A 4 -17.742 -2.339 13.801 1.00 33.40 C ATOM 14 OG SER A 4 -18.489 -3.067 12.843 1.00 39.45 O ATOM 15 HG SER A 4 -19.358 -2.617 12.692 1.00 0.00 H ATOM 16 H SER A 4 -19.268 -4.262 15.354 1.00 0.00 H ATOM 17 N ARG A 5 -19.868 -0.318 14.751 1.00 20.19 N ATOM 18 CA ARG A 5 -21.082 0.446 14.522 1.00 18.86 C ATOM 19 C ARG A 5 -20.834 1.405 13.368 1.00 15.82 C ATOM 20 O ARG A 5 -19.776 2.032 13.289 1.00 14.18 O ATOM 21 CB ARG A 5 -21.504 1.221 15.778 1.00 21.10 C ATOM 22 CG ARG A 5 -22.682 2.161 15.568 1.00 23.75 C ATOM 23 CD ARG A 5 -23.751 1.964 16.631 1.00 27.22 C ATOM 24 H ARG A 5 -18.959 0.187 14.764 1.00 0.00 H ATOM 25 N LEU A 6 -21.811 1.504 12.476 1.00 15.55 N ATOM 26 CA LEU A 6 -21.670 2.313 11.272 1.00 16.43 C ATOM 27 C LEU A 6 -21.937 3.779 11.572 1.00 18.16 C ATOM 28 O LEU A 6 -22.939 4.114 12.214 1.00 18.57 O ATOM 29 CB LEU A 6 -22.653 1.835 10.206 1.00 16.87 C ATOM 30 CG LEU A 6 -22.407 0.488 9.535 1.00 19.69 C ATOM 31 CD1 LEU A 6 -23.621 0.091 8.703 1.00 19.52 C ATOM 32 CD2 LEU A 6 -21.180 0.598 8.658 1.00 21.32 C ATOM 33 H LEU A 6 -22.701 0.991 12.640 1.00 0.00 H ATOM 34 N TYR A 7 -21.073 4.651 11.053 1.00 13.11 N ATOM 35 CA TYR A 7 -21.275 6.092 11.086 1.00 12.58 C ATOM 36 C TYR A 7 -20.992 6.647 9.698 1.00 12.44 C ATOM 37 O TYR A 7 -20.320 6.006 8.885 1.00 12.21 O ATOM 38 CB TYR A 7 -20.349 6.807 12.068 1.00 12.29 C ATOM 39 CG TYR A 7 -20.574 6.463 13.519 1.00 13.48 C ATOM 40 CD1 TYR A 7 -20.134 5.261 14.034 1.00 16.49 C ATOM 41 CD2 TYR A 7 -21.189 7.360 14.371 1.00 17.68 C ATOM 42 CE1 TYR A 7 -20.324 4.940 15.350 1.00 18.79 C ATOM 43 CE2 TYR A 7 -21.391 7.049 15.701 1.00 18.90 C ATOM 44 CZ TYR A 7 -20.944 5.841 16.183 1.00 19.81 C ATOM 45 OH TYR A 7 -21.128 5.509 17.499 1.00 22.69 O ATOM 46 HH TYR A 7 -20.747 4.611 17.668 1.00 0.00 H ATOM 47 H TYR A 7 -20.211 4.283 10.602 1.00 0.00 H ATOM 48 N THR A 8 -21.501 7.852 9.441 1.00 12.01 N ATOM 49 CA THR A 8 -21.163 8.578 8.226 1.00 11.69 C ATOM 50 C THR A 8 -20.461 9.875 8.597 1.00 12.21 C ATOM 51 O THR A 8 -20.589 10.383 9.715 1.00 11.32 O ATOM 52 CB THR A 8 -22.397 8.937 7.393 1.00 18.49 C ATOM 53 OG1 THR A 8 -23.321 9.651 8.217 1.00 18.45 O ATOM 54 CG2 THR A 8 -23.052 7.675 6.882 1.00 19.60 C ATOM 55 HG1 THR A 8 -23.587 9.082 8.982 1.00 0.00 H ATOM 56 H THR A 8 -22.155 8.283 10.125 1.00 0.00 H ATOM 57 N LEU A 9 -19.736 10.421 7.629 1.00 10.67 N ATOM 58 CA LEU A 9 -19.089 11.722 7.783 1.00 10.70 C ATOM 59 C LEU A 9 -19.078 12.355 6.405 1.00 13.12 C ATOM 60 O LEU A 9 -18.588 11.725 5.470 1.00 10.96 O ATOM 61 CB LEU A 9 -17.661 11.569 8.316 1.00 11.08 C ATOM 62 CG LEU A 9 -16.921 12.872 8.577 1.00 12.64 C ATOM 63 CD1 LEU A 9 -17.691 13.721 9.583 1.00 15.16 C ATOM 64 CD2 LEU A 9 -15.519 12.589 9.089 1.00 14.46 C ATOM 65 H LEU A 9 -19.625 9.906 6.732 1.00 0.00 H ATOM 66 N VAL A 10 -19.618 13.569 6.265 1.00 10.60 N ATOM 67 CA VAL A 10 -19.734 14.224 4.961 1.00 11.01 C ATOM 68 C VAL A 10 -18.939 15.516 5.006 1.00 12.02 C ATOM 69 O VAL A 10 -19.116 16.322 5.925 1.00 11.36 O ATOM 70 CB VAL A 10 -21.200 14.526 4.584 1.00 11.76 C ATOM 71 CG1 VAL A 10 -21.263 15.393 3.318 1.00 12.32 C ATOM 72 CG2 VAL A 10 -21.976 13.239 4.378 1.00 18.58 C ATOM 73 H VAL A 10 -19.967 14.065 7.110 1.00 0.00 H ATOM 74 N LEU A 11 -18.083 15.717 4.010 1.00 11.84 N ATOM 75 CA LEU A 11 -17.323 16.953 3.868 1.00 13.28 C ATOM 76 C LEU A 11 -17.836 17.709 2.652 1.00 14.64 C ATOM 77 O LEU A 11 -17.891 17.160 1.549 1.00 15.87 O ATOM 78 CB LEU A 11 -15.822 16.675 3.726 1.00 14.06 C ATOM 79 CG LEU A 11 -15.063 16.394 5.023 1.00 16.68 C ATOM 80 CD1 LEU A 11 -15.271 17.526 6.041 1.00 17.06 C ATOM 81 CD2 LEU A 11 -15.469 15.079 5.610 1.00 18.86 C ATOM 82 H LEU A 11 -17.950 14.964 3.305 1.00 0.00 H ATOM 83 N VAL A 12 -18.228 18.962 2.853 1.00 12.13 N ATOM 84 CA VAL A 12 -18.684 19.806 1.762 1.00 13.04 C ATOM 85 C VAL A 12 -17.441 20.530 1.257 1.00 16.92 C ATOM 86 O VAL A 12 -16.981 21.494 1.865 1.00 14.69 O ATOM 87 CB VAL A 12 -19.774 20.772 2.225 1.00 17.24 C ATOM 88 CG1 VAL A 12 -20.195 21.675 1.101 1.00 18.66 C ATOM 89 CG2 VAL A 12 -20.965 19.977 2.787 1.00 17.11 C ATOM 90 H VAL A 12 -18.208 19.350 3.818 1.00 0.00 H ATOM 91 N LEU A 13 -16.871 20.031 0.170 1.00 16.32 N ATOM 92 CA LEU A 13 -15.578 20.478 -0.326 1.00 19.79 C ATOM 93 C LEU A 13 -15.772 21.157 -1.672 1.00 23.57 C ATOM 94 O LEU A 13 -16.280 20.540 -2.615 1.00 23.69 O ATOM 95 CB LEU A 13 -14.614 19.296 -0.450 1.00 23.41 C ATOM 96 CG LEU A 13 -13.217 19.608 -0.975 1.00 26.93 C ATOM 97 CD1 LEU A 13 -12.546 20.641 -0.079 1.00 25.11 C ATOM 98 CD2 LEU A 13 -12.387 18.328 -1.033 1.00 26.99 C ATOM 99 H LEU A 13 -17.371 19.285 -0.354 1.00 0.00 H ATOM 100 N GLN A 14 -15.364 22.413 -1.761 1.00 15.97 N ATOM 101 CA GLN A 14 -15.499 23.185 -2.983 1.00 19.18 C ATOM 102 C GLN A 14 -14.084 23.541 -3.421 1.00 22.16 C ATOM 103 O GLN A 14 -13.142 23.324 -2.649 1.00 24.43 O ATOM 104 CB GLN A 14 -16.388 24.408 -2.743 1.00 22.77 C ATOM 105 CG GLN A 14 -17.821 24.009 -2.392 1.00 23.67 C ATOM 106 CD GLN A 14 -18.763 25.188 -2.262 1.00 26.51 C ATOM 107 OE1 GLN A 14 -18.352 26.300 -1.942 1.00 26.27 O ATOM 108 NE2 GLN A 14 -20.047 24.939 -2.486 1.00 28.01 N ATOM 109 HE22 GLN A 14 -20.352 23.982 -2.755 1.00 0.00 H ATOM 110 HE21 GLN A 14 -20.749 25.701 -2.392 1.00 0.00 H ATOM 111 H GLN A 14 -14.932 22.862 -0.928 1.00 0.00 H ATOM 112 N PRO A 15 -13.881 24.048 -4.637 1.00 25.97 N ATOM 113 CA PRO A 15 -12.503 24.184 -5.145 1.00 29.31 C ATOM 114 C PRO A 15 -11.573 25.000 -4.258 1.00 31.78 C ATOM 115 O PRO A 15 -10.378 24.679 -4.184 1.00 31.77 O ATOM 116 CB PRO A 15 -12.708 24.846 -6.511 1.00 31.31 C ATOM 117 CG PRO A 15 -14.035 24.369 -6.942 1.00 31.70 C ATOM 118 CD PRO A 15 -14.873 24.337 -5.688 1.00 27.64 C ATOM 119 N GLN A 16 -12.074 26.024 -3.561 1.00 30.12 N ATOM 120 CA GLN A 16 -11.223 26.863 -2.728 1.00 29.17 C ATOM 121 C GLN A 16 -11.559 26.824 -1.238 1.00 26.73 C ATOM 122 O GLN A 16 -10.874 27.486 -0.451 1.00 25.49 O ATOM 123 CB GLN A 16 -11.286 28.318 -3.213 1.00 32.99 C ATOM 124 H GLN A 16 -13.093 26.226 -3.614 1.00 0.00 H ATOM 125 N ARG A 17 -12.576 26.077 -0.817 1.00 22.05 N ATOM 126 CA ARG A 17 -12.990 26.158 0.579 1.00 16.84 C ATOM 127 C ARG A 17 -13.711 24.881 0.983 1.00 17.39 C ATOM 128 O ARG A 17 -14.270 24.170 0.144 1.00 15.63 O ATOM 129 CB ARG A 17 -13.899 27.366 0.821 1.00 19.83 C ATOM 130 CG ARG A 17 -15.158 27.331 -0.003 1.00 20.09 C ATOM 131 CD ARG A 17 -16.021 28.529 0.264 1.00 21.61 C ATOM 132 NE ARG A 17 -17.359 28.365 -0.289 1.00 19.13 N ATOM 133 CZ ARG A 17 -18.349 29.220 -0.078 1.00 22.43 C ATOM 134 NH1 ARG A 17 -18.136 30.290 0.674 1.00 23.35 N ATOM 135 NH2 ARG A 17 -19.541 29.006 -0.611 1.00 20.16 N ATOM 136 HE ARG A 17 -17.547 27.531 -0.882 1.00 0.00 H ATOM 137 HH12 ARG A 17 -18.907 30.967 0.845 1.00 0.00 H ATOM 138 HH11 ARG A 17 -17.198 30.453 1.093 1.00 0.00 H ATOM 139 HH22 ARG A 17 -20.315 29.680 -0.442 1.00 0.00 H ATOM 140 HH21 ARG A 17 -19.704 28.164 -1.199 1.00 0.00 H ATOM 141 H ARG A 17 -13.070 25.442 -1.476 1.00 0.00 H ATOM 142 N VAL A 18 -13.730 24.633 2.294 1.00 14.74 N ATOM 143 CA VAL A 18 -14.413 23.487 2.880 1.00 13.72 C ATOM 144 C VAL A 18 -15.268 23.982 4.042 1.00 13.49 C ATOM 145 O VAL A 18 -14.880 24.907 4.763 1.00 15.05 O ATOM 146 CB VAL A 18 -13.402 22.413 3.340 1.00 13.28 C ATOM 147 CG1 VAL A 18 -12.539 22.941 4.497 1.00 12.93 C ATOM 148 CG2 VAL A 18 -14.105 21.106 3.711 1.00 12.72 C ATOM 149 H VAL A 18 -13.233 25.290 2.929 1.00 0.00 H ATOM 150 N LEU A 19 -16.456 23.404 4.185 1.00 13.15 N ATOM 151 CA LEU A 19 -17.353 23.735 5.287 1.00 13.05 C ATOM 152 C LEU A 19 -17.095 22.784 6.441 1.00 13.05 C ATOM 153 O LEU A 19 -17.113 21.569 6.255 1.00 12.36 O ATOM 154 CB LEU A 19 -18.815 23.616 4.853 1.00 13.37 C ATOM 155 CG LEU A 19 -19.921 24.027 5.837 1.00 13.57 C ATOM 156 CD1 LEU A 19 -19.903 25.508 6.127 1.00 14.34 C ATOM 157 CD2 LEU A 19 -21.268 23.637 5.246 1.00 14.09 C ATOM 158 H LEU A 19 -16.756 22.692 3.489 1.00 0.00 H ATOM 159 N LEU A 20 -16.880 23.336 7.628 1.00 12.24 N ATOM 160 CA LEU A 20 -16.770 22.543 8.838 1.00 11.69 C ATOM 161 C LEU A 20 -17.739 23.104 9.867 1.00 12.06 C ATOM 162 O LEU A 20 -18.155 24.261 9.795 1.00 12.75 O ATOM 163 CB LEU A 20 -15.338 22.549 9.399 1.00 11.56 C ATOM 164 CG LEU A 20 -14.291 21.990 8.422 1.00 11.36 C ATOM 165 CD1 LEU A 20 -12.891 22.296 8.915 1.00 11.58 C ATOM 166 CD2 LEU A 20 -14.497 20.478 8.253 1.00 10.69 C ATOM 167 H LEU A 20 -16.787 24.370 7.693 1.00 0.00 H ATOM 168 N GLY A 21 -18.099 22.272 10.833 1.00 11.74 N ATOM 169 CA GLY A 21 -19.021 22.737 11.846 1.00 12.25 C ATOM 170 C GLY A 21 -18.433 22.497 13.215 1.00 12.23 C ATOM 171 O GLY A 21 -17.888 21.421 13.476 1.00 13.52 O ATOM 172 H GLY A 21 -17.725 21.302 10.863 1.00 0.00 H ATOM 173 N MET A 22 -18.516 23.485 14.095 1.00 12.95 N ATOM 174 CA MET A 22 -17.967 23.346 15.440 1.00 13.19 C ATOM 175 C MET A 22 -19.067 22.726 16.298 1.00 14.42 C ATOM 176 O MET A 22 -20.143 23.311 16.452 1.00 14.09 O ATOM 177 CB MET A 22 -17.531 24.723 15.966 1.00 21.65 C ATOM 178 CG MET A 22 -17.335 24.861 17.473 1.00 22.57 C ATOM 179 SD MET A 22 -15.997 23.773 18.060 1.00 19.90 S ATOM 180 CE MET A 22 -14.615 24.444 17.130 1.00 19.53 C ATOM 181 H MET A 22 -18.980 24.375 13.822 1.00 0.00 H ATOM 182 N LYS A 23 -18.815 21.532 16.829 1.00 15.80 N ATOM 183 CA LYS A 23 -19.821 20.824 17.610 1.00 16.99 C ATOM 184 C LYS A 23 -19.897 21.426 19.004 1.00 16.49 C ATOM 185 O LYS A 23 -18.867 21.643 19.651 1.00 18.82 O ATOM 186 CB LYS A 23 -19.473 19.338 17.690 1.00 20.72 C ATOM 187 CG LYS A 23 -20.545 18.498 18.358 1.00 26.25 C ATOM 188 CD LYS A 23 -21.344 17.708 17.335 1.00 30.21 C ATOM 189 H LYS A 23 -17.882 21.096 16.684 1.00 0.00 H ATOM 190 N LYS A 24 -21.113 21.719 19.464 1.00 16.90 N ATOM 191 CA LYS A 24 -21.263 22.467 20.702 1.00 23.60 C ATOM 192 C LYS A 24 -21.471 21.583 21.928 1.00 26.10 C ATOM 193 O LYS A 24 -21.216 22.043 23.046 1.00 30.73 O ATOM 194 CB LYS A 24 -22.413 23.471 20.568 1.00 26.26 C ATOM 195 CG LYS A 24 -22.181 24.519 19.462 1.00 27.07 C ATOM 196 CD LYS A 24 -23.221 25.627 19.541 1.00 27.66 C ATOM 197 CE LYS A 24 -23.335 26.398 18.236 1.00 23.08 C ATOM 198 NZ LYS A 24 -24.392 27.440 18.352 1.00 25.41 N ATOM 199 HZ1 LYS A 24 -25.303 26.986 18.563 1.00 0.00 H ATOM 200 HZ2 LYS A 24 -24.146 28.098 19.119 1.00 0.00 H ATOM 201 HZ3 LYS A 24 -24.463 27.962 17.455 1.00 0.00 H ATOM 202 H LYS A 24 -21.956 21.412 18.937 1.00 0.00 H ATOM 203 N ARG A 25 -21.894 20.333 21.758 1.00 26.76 N ATOM 204 CA ARG A 25 -22.027 19.422 22.889 1.00 29.29 C ATOM 205 C ARG A 25 -21.925 17.988 22.381 1.00 28.78 C ATOM 206 O ARG A 25 -21.911 17.733 21.175 1.00 29.50 O ATOM 207 CB ARG A 25 -23.336 19.660 23.657 1.00 32.48 C ATOM 208 CG ARG A 25 -24.602 19.631 22.814 1.00 34.19 C ATOM 209 CD ARG A 25 -25.840 19.892 23.688 1.00 36.01 C ATOM 210 H ARG A 25 -22.134 20.000 20.802 1.00 0.00 H ATOM 211 N GLY A 26 -21.844 17.047 23.319 1.00 28.91 N ATOM 212 CA GLY A 26 -21.763 15.648 22.939 1.00 29.49 C ATOM 213 C GLY A 26 -20.363 15.212 22.521 1.00 30.25 C ATOM 214 O GLY A 26 -19.356 15.879 22.777 1.00 30.59 O ATOM 215 H GLY A 26 -21.839 17.314 24.324 1.00 0.00 H ATOM 216 N PHE A 27 -20.313 14.052 21.866 1.00 29.29 N ATOM 217 CA PHE A 27 -19.046 13.429 21.491 1.00 29.02 C ATOM 218 C PHE A 27 -18.318 14.297 20.473 1.00 27.54 C ATOM 219 O PHE A 27 -18.854 14.575 19.398 1.00 28.20 O ATOM 220 CB PHE A 27 -19.303 12.042 20.915 1.00 30.78 C ATOM 221 CG PHE A 27 -18.056 11.288 20.558 1.00 32.87 C ATOM 222 CD1 PHE A 27 -17.254 10.745 21.545 1.00 33.39 C ATOM 223 CD2 PHE A 27 -17.698 11.108 19.232 1.00 34.02 C ATOM 224 CE1 PHE A 27 -16.116 10.049 21.219 1.00 34.21 C ATOM 225 CE2 PHE A 27 -16.556 10.413 18.904 1.00 34.46 C ATOM 226 CZ PHE A 27 -15.766 9.881 19.902 1.00 32.06 C ATOM 227 H PHE A 27 -21.203 13.576 21.614 1.00 0.00 H ATOM 228 N GLY A 28 -17.103 14.719 20.810 1.00 26.48 N ATOM 229 CA GLY A 28 -16.340 15.581 19.930 1.00 26.00 C ATOM 230 C GLY A 28 -16.647 17.057 20.051 1.00 23.65 C ATOM 231 O GLY A 28 -16.237 17.828 19.177 1.00 22.60 O ATOM 232 H GLY A 28 -16.694 14.426 21.720 1.00 0.00 H ATOM 233 N ALA A 29 -17.364 17.472 21.090 1.00 22.38 N ATOM 234 CA ALA A 29 -17.665 18.888 21.270 1.00 21.98 C ATOM 235 C ALA A 29 -16.377 19.693 21.355 1.00 23.06 C ATOM 236 O ALA A 29 -15.376 19.238 21.916 1.00 23.73 O ATOM 237 CB ALA A 29 -18.497 19.098 22.539 1.00 22.75 C ATOM 238 H ALA A 29 -17.714 16.780 21.782 1.00 0.00 H ATOM 239 N GLY A 30 -16.397 20.897 20.790 1.00 20.73 N ATOM 240 CA GLY A 30 -15.228 21.751 20.816 1.00 19.47 C ATOM 241 C GLY A 30 -14.275 21.549 19.658 1.00 18.07 C ATOM 242 O GLY A 30 -13.237 22.219 19.602 1.00 19.00 O ATOM 243 H GLY A 30 -17.265 21.230 20.323 1.00 0.00 H ATOM 244 N ARG A 31 -14.599 20.673 18.717 1.00 15.14 N ATOM 245 CA ARG A 31 -13.767 20.464 17.545 1.00 13.34 C ATOM 246 C ARG A 31 -14.557 20.733 16.274 1.00 13.18 C ATOM 247 O ARG A 31 -15.748 20.415 16.196 1.00 14.70 O ATOM 248 CB ARG A 31 -13.224 19.036 17.511 1.00 14.47 C ATOM 249 CG ARG A 31 -12.107 18.831 18.517 1.00 17.67 C ATOM 250 CD ARG A 31 -11.781 17.365 18.748 1.00 16.32 C ATOM 251 NE ARG A 31 -10.464 17.269 19.366 1.00 18.73 N ATOM 252 CZ ARG A 31 -9.936 16.160 19.871 1.00 21.47 C ATOM 253 NH1 ARG A 31 -10.610 15.024 19.834 1.00 19.86 N ATOM 254 NH2 ARG A 31 -8.724 16.198 20.414 1.00 23.35 N ATOM 255 HE ARG A 31 -9.893 18.137 19.415 1.00 0.00 H ATOM 256 HH12 ARG A 31 -10.192 14.158 20.231 1.00 0.00 H ATOM 257 HH11 ARG A 31 -11.558 14.996 19.408 1.00 0.00 H ATOM 258 HH22 ARG A 31 -8.305 15.333 20.811 1.00 0.00 H ATOM 259 HH21 ARG A 31 -8.194 17.093 20.442 1.00 0.00 H ATOM 260 H ARG A 31 -15.474 20.120 18.821 1.00 0.00 H ATOM 261 N TRP A 32 -13.872 21.294 15.276 1.00 11.86 N ATOM 262 CA TRP A 32 -14.435 21.392 13.937 1.00 11.49 C ATOM 263 C TRP A 32 -14.492 20.008 13.319 1.00 12.39 C ATOM 264 O TRP A 32 -13.546 19.225 13.440 1.00 12.84 O ATOM 265 CB TRP A 32 -13.583 22.301 13.047 1.00 11.77 C ATOM 266 CG TRP A 32 -13.462 23.689 13.550 1.00 12.66 C ATOM 267 CD1 TRP A 32 -12.403 24.229 14.234 1.00 14.78 C ATOM 268 CD2 TRP A 32 -14.419 24.748 13.386 1.00 13.20 C ATOM 269 NE1 TRP A 32 -12.660 25.551 14.536 1.00 14.22 N ATOM 270 CE2 TRP A 32 -13.888 25.892 14.024 1.00 15.28 C ATOM 271 CE3 TRP A 32 -15.678 24.832 12.779 1.00 13.11 C ATOM 272 CZ2 TRP A 32 -14.571 27.115 14.064 1.00 17.78 C ATOM 273 CZ3 TRP A 32 -16.364 26.046 12.829 1.00 13.93 C ATOM 274 CH2 TRP A 32 -15.800 27.169 13.467 1.00 14.85 C ATOM 275 HE1 TRP A 32 -12.027 26.185 15.065 1.00 0.00 H ATOM 276 H TRP A 32 -12.919 21.668 15.458 1.00 0.00 H ATOM 277 N ASN A 33 -15.580 19.724 12.611 1.00 11.16 N ATOM 278 CA ASN A 33 -15.727 18.419 11.979 1.00 13.57 C ATOM 279 C ASN A 33 -16.644 18.540 10.776 1.00 12.83 C ATOM 280 O ASN A 33 -17.300 19.568 10.565 1.00 12.83 O ATOM 281 CB ASN A 33 -16.284 17.388 12.964 1.00 17.32 C ATOM 282 CG ASN A 33 -15.889 15.961 12.602 1.00 20.58 C ATOM 283 OD1 ASN A 33 -15.431 15.682 11.483 1.00 19.61 O ATOM 284 ND2 ASN A 33 -16.039 15.053 13.564 1.00 24.25 N ATOM 285 HD22 ASN A 33 -16.427 15.333 14.487 1.00 0.00 H ATOM 286 HD21 ASN A 33 -15.768 14.064 13.392 1.00 0.00 H ATOM 287 H ASN A 33 -16.330 20.437 12.507 1.00 0.00 H ATOM 288 N GLY A 34 -16.694 17.471 9.983 1.00 10.82 N ATOM 289 CA GLY A 34 -17.735 17.352 8.982 1.00 12.35 C ATOM 290 C GLY A 34 -19.048 16.983 9.655 1.00 12.17 C ATOM 291 O GLY A 34 -19.182 17.004 10.878 1.00 12.36 O ATOM 292 H GLY A 34 -15.983 16.719 10.083 1.00 0.00 H ATOM 293 N PHE A 35 -20.029 16.626 8.835 1.00 10.57 N ATOM 294 CA PHE A 35 -21.389 16.372 9.301 1.00 11.07 C ATOM 295 C PHE A 35 -21.710 14.885 9.192 1.00 14.75 C ATOM 296 O PHE A 35 -21.524 14.282 8.130 1.00 14.21 O ATOM 297 CB PHE A 35 -22.375 17.218 8.494 1.00 11.71 C ATOM 298 CG PHE A 35 -22.023 18.687 8.502 1.00 14.91 C ATOM 299 CD1 PHE A 35 -22.268 19.461 9.622 1.00 14.34 C ATOM 300 CD2 PHE A 35 -21.383 19.271 7.421 1.00 17.90 C ATOM 301 CE1 PHE A 35 -21.915 20.817 9.657 1.00 15.54 C ATOM 302 CE2 PHE A 35 -21.015 20.618 7.448 1.00 19.54 C ATOM 303 CZ PHE A 35 -21.289 21.394 8.568 1.00 15.97 C ATOM 304 H PHE A 35 -19.821 16.523 7.821 1.00 0.00 H ATOM 305 N GLY A 36 -22.191 14.291 10.278 1.00 14.36 N ATOM 306 CA GLY A 36 -22.471 12.867 10.191 1.00 17.08 C ATOM 307 C GLY A 36 -23.000 12.328 11.496 1.00 17.54 C ATOM 308 O GLY A 36 -23.267 13.072 12.443 1.00 17.44 O ATOM 309 H GLY A 36 -22.361 14.823 11.155 1.00 0.00 H ATOM 310 N GLY A 37 -23.161 11.009 11.520 1.00 14.45 N ATOM 311 CA GLY A 37 -23.698 10.358 12.699 1.00 14.33 C ATOM 312 C GLY A 37 -24.014 8.906 12.404 1.00 15.31 C ATOM 313 O GLY A 37 -23.550 8.350 11.411 1.00 13.18 O ATOM 314 H GLY A 37 -22.900 10.441 10.689 1.00 0.00 H ATOM 315 N LYS A 38 -24.808 8.303 13.288 1.00 15.74 N ATOM 316 CA LYS A 38 -25.082 6.877 13.168 1.00 16.97 C ATOM 317 C LYS A 38 -26.017 6.599 11.995 1.00 18.33 C ATOM 318 O LYS A 38 -26.884 7.401 11.659 1.00 19.39 O ATOM 319 CB LYS A 38 -25.695 6.338 14.462 1.00 17.81 C ATOM 320 CG LYS A 38 -24.695 6.255 15.617 1.00 21.27 C ATOM 321 CD LYS A 38 -25.363 5.707 16.888 1.00 26.00 C ATOM 322 H LYS A 38 -25.232 8.850 14.064 1.00 0.00 H ATOM 323 N VAL A 39 -25.808 5.453 11.355 1.00 19.19 N ATOM 324 CA VAL A 39 -26.705 4.956 10.320 1.00 20.17 C ATOM 325 C VAL A 39 -27.833 4.193 10.998 1.00 23.37 C ATOM 326 O VAL A 39 -27.599 3.427 11.937 1.00 25.67 O ATOM 327 CB VAL A 39 -25.942 4.059 9.328 1.00 16.89 C ATOM 328 CG1 VAL A 39 -26.895 3.540 8.253 1.00 18.33 C ATOM 329 CG2 VAL A 39 -24.758 4.815 8.693 1.00 15.53 C ATOM 330 H VAL A 39 -24.971 4.888 11.603 1.00 0.00 H ATOM 331 N GLN A 40 -29.057 4.390 10.523 1.00 19.68 N ATOM 332 CA GLN A 40 -30.233 3.816 11.159 1.00 23.95 C ATOM 333 C GLN A 40 -30.619 2.484 10.519 1.00 24.32 C ATOM 334 O GLN A 40 -30.105 2.081 9.474 1.00 22.34 O ATOM 335 CB GLN A 40 -31.391 4.815 11.102 1.00 24.49 C ATOM 336 CG GLN A 40 -30.966 6.166 11.688 1.00 27.31 C ATOM 337 CD GLN A 40 -32.073 7.196 11.708 1.00 32.56 C ATOM 338 OE1 GLN A 40 -33.116 7.021 11.081 1.00 35.51 O ATOM 339 NE2 GLN A 40 -31.842 8.291 12.426 1.00 34.76 N ATOM 340 HE22 GLN A 40 -30.944 8.396 12.940 1.00 0.00 H ATOM 341 HE21 GLN A 40 -32.559 9.043 12.473 1.00 0.00 H ATOM 342 H GLN A 40 -29.179 4.972 9.670 1.00 0.00 H ATOM 343 N GLU A 41 -31.526 1.785 11.190 1.00 24.29 N ATOM 344 CA GLU A 41 -32.040 0.523 10.671 1.00 25.90 C ATOM 345 C GLU A 41 -32.821 0.760 9.384 1.00 26.69 C ATOM 346 O GLU A 41 -33.579 1.728 9.269 1.00 26.92 O ATOM 347 CB GLU A 41 -32.927 -0.148 11.720 1.00 27.73 C ATOM 348 CG GLU A 41 -32.197 -0.441 13.028 1.00 27.25 C ATOM 349 H GLU A 41 -31.876 2.143 12.101 1.00 0.00 H ATOM 350 N GLY A 42 -32.629 -0.126 8.406 1.00 27.24 N ATOM 351 CA GLY A 42 -33.369 -0.021 7.165 1.00 28.29 C ATOM 352 C GLY A 42 -32.910 1.073 6.224 1.00 26.95 C ATOM 353 O GLY A 42 -33.577 1.324 5.221 1.00 27.89 O ATOM 354 H GLY A 42 -31.944 -0.897 8.535 1.00 0.00 H ATOM 355 N GLU A 43 -31.784 1.718 6.498 1.00 26.95 N ATOM 356 CA GLU A 43 -31.310 2.834 5.699 1.00 28.64 C ATOM 357 C GLU A 43 -29.924 2.500 5.168 1.00 25.49 C ATOM 358 O GLU A 43 -29.097 1.947 5.897 1.00 25.63 O ATOM 359 CB GLU A 43 -31.321 4.106 6.562 1.00 30.48 C ATOM 360 CG GLU A 43 -30.229 5.098 6.326 1.00 29.12 C ATOM 361 CD GLU A 43 -30.316 6.278 7.289 1.00 26.29 C ATOM 362 OE1 GLU A 43 -31.116 7.207 7.049 1.00 27.20 O ATOM 363 OE2 GLU A 43 -29.590 6.256 8.304 1.00 24.06 O ATOM 364 H GLU A 43 -31.219 1.413 7.316 1.00 0.00 H ATOM 365 N THR A 44 -29.681 2.784 3.886 1.00 25.79 N ATOM 366 CA THR A 44 -28.337 2.566 3.354 1.00 21.43 C ATOM 367 C THR A 44 -27.367 3.580 3.945 1.00 19.58 C ATOM 368 O THR A 44 -27.757 4.649 4.418 1.00 21.99 O ATOM 369 CB THR A 44 -28.296 2.676 1.827 1.00 24.57 C ATOM 370 OG1 THR A 44 -28.494 4.040 1.435 1.00 25.40 O ATOM 371 CG2 THR A 44 -29.356 1.816 1.187 1.00 26.42 C ATOM 372 HG1 THR A 44 -28.467 4.106 0.448 1.00 0.00 H ATOM 373 H THR A 44 -30.437 3.155 3.275 1.00 0.00 H ATOM 374 N ILE A 45 -26.080 3.232 3.906 1.00 18.63 N ATOM 375 CA ILE A 45 -25.061 4.137 4.427 1.00 17.86 C ATOM 376 C ILE A 45 -25.112 5.482 3.707 1.00 16.65 C ATOM 377 O ILE A 45 -24.998 6.541 4.337 1.00 15.83 O ATOM 378 CB ILE A 45 -23.671 3.484 4.331 1.00 18.29 C ATOM 379 CG1 ILE A 45 -23.595 2.250 5.241 1.00 19.14 C ATOM 380 CG2 ILE A 45 -22.571 4.477 4.692 1.00 19.66 C ATOM 381 CD1 ILE A 45 -22.266 1.502 5.146 1.00 19.94 C ATOM 382 H ILE A 45 -25.802 2.314 3.504 1.00 0.00 H ATOM 383 N GLU A 46 -25.277 5.466 2.381 1.00 19.34 N ATOM 384 CA GLU A 46 -25.326 6.724 1.640 1.00 19.69 C ATOM 385 C GLU A 46 -26.582 7.518 1.979 1.00 20.10 C ATOM 386 O GLU A 46 -26.536 8.747 2.098 1.00 19.01 O ATOM 387 CB GLU A 46 -25.256 6.477 0.129 1.00 26.60 C ATOM 388 CG GLU A 46 -25.490 7.761 -0.673 1.00 34.68 C ATOM 389 CD GLU A 46 -25.245 7.618 -2.166 1.00 42.88 C ATOM 390 OE1 GLU A 46 -24.511 6.695 -2.577 1.00 46.50 O ATOM 391 OE2 GLU A 46 -25.790 8.444 -2.929 1.00 46.56 O ATOM 392 H GLU A 46 -25.370 4.561 1.878 1.00 0.00 H ATOM 393 N ASP A 47 -27.715 6.838 2.141 1.00 18.96 N ATOM 394 CA ASP A 47 -28.917 7.556 2.548 1.00 24.23 C ATOM 395 C ASP A 47 -28.738 8.172 3.929 1.00 20.24 C ATOM 396 O ASP A 47 -29.216 9.282 4.192 1.00 21.14 O ATOM 397 CB ASP A 47 -30.125 6.625 2.508 1.00 27.20 C ATOM 398 CG ASP A 47 -30.621 6.381 1.088 1.00 33.23 C ATOM 399 OD1 ASP A 47 -30.270 7.173 0.189 1.00 34.94 O ATOM 400 OD2 ASP A 47 -31.365 5.405 0.869 1.00 35.97 O ATOM 401 H ASP A 47 -27.742 5.811 1.980 1.00 0.00 H ATOM 402 N GLY A 48 -28.020 7.485 4.814 1.00 18.66 N ATOM 403 CA GLY A 48 -27.767 8.049 6.127 1.00 18.84 C ATOM 404 C GLY A 48 -26.850 9.254 6.087 1.00 17.48 C ATOM 405 O GLY A 48 -27.016 10.195 6.870 1.00 18.43 O ATOM 406 H GLY A 48 -27.642 6.548 4.566 1.00 0.00 H ATOM 407 N ALA A 49 -25.860 9.238 5.186 1.00 15.23 N ATOM 408 CA ALA A 49 -24.960 10.375 5.046 1.00 14.74 C ATOM 409 C ALA A 49 -25.724 11.602 4.581 1.00 17.45 C ATOM 410 O ALA A 49 -25.519 12.709 5.092 1.00 16.15 O ATOM 411 CB ALA A 49 -23.842 10.044 4.056 1.00 15.64 C ATOM 412 H ALA A 49 -25.732 8.404 4.579 1.00 0.00 H ATOM 413 N ARG A 50 -26.606 11.413 3.600 1.00 17.94 N ATOM 414 CA ARG A 50 -27.437 12.501 3.103 1.00 18.72 C ATOM 415 C ARG A 50 -28.341 13.039 4.206 1.00 18.04 C ATOM 416 O ARG A 50 -28.468 14.254 4.390 1.00 16.76 O ATOM 417 CB ARG A 50 -28.249 11.975 1.924 1.00 23.74 C ATOM 418 CG ARG A 50 -28.887 12.994 1.043 1.00 31.87 C ATOM 419 CD ARG A 50 -29.623 12.277 -0.080 1.00 38.30 C ATOM 420 NE ARG A 50 -28.719 11.481 -0.910 1.00 42.15 N ATOM 421 CZ ARG A 50 -28.058 11.959 -1.962 1.00 47.01 C ATOM 422 NH1 ARG A 50 -27.262 11.166 -2.666 1.00 47.62 N ATOM 423 NH2 ARG A 50 -28.198 13.233 -2.316 1.00 48.59 N ATOM 424 HE ARG A 50 -28.584 10.480 -0.663 1.00 0.00 H ATOM 425 HH12 ARG A 50 -26.747 11.543 -3.487 1.00 0.00 H ATOM 426 HH11 ARG A 50 -27.153 10.167 -2.397 1.00 0.00 H ATOM 427 HH22 ARG A 50 -27.681 13.604 -3.138 1.00 0.00 H ATOM 428 HH21 ARG A 50 -28.825 13.858 -1.771 1.00 0.00 H ATOM 429 H ARG A 50 -26.703 10.467 3.180 1.00 0.00 H ATOM 430 N ARG A 51 -28.984 12.137 4.948 1.00 17.32 N ATOM 431 CA ARG A 51 -29.854 12.553 6.042 1.00 19.16 C ATOM 432 C ARG A 51 -29.086 13.339 7.095 1.00 17.74 C ATOM 433 O ARG A 51 -29.555 14.381 7.570 1.00 19.77 O ATOM 434 CB ARG A 51 -30.524 11.329 6.667 1.00 20.28 C ATOM 435 CG ARG A 51 -31.323 11.641 7.911 1.00 23.58 C ATOM 436 CD ARG A 51 -31.890 10.361 8.522 1.00 26.14 C ATOM 437 NE ARG A 51 -30.819 9.404 8.782 1.00 25.13 N ATOM 438 CZ ARG A 51 -29.979 9.481 9.811 1.00 26.33 C ATOM 439 NH1 ARG A 51 -30.101 10.461 10.708 1.00 25.55 N ATOM 440 NH2 ARG A 51 -29.019 8.569 9.951 1.00 24.91 N ATOM 441 HE ARG A 51 -30.705 8.610 8.120 1.00 0.00 H ATOM 442 HH12 ARG A 51 -29.442 10.517 11.510 1.00 0.00 H ATOM 443 HH11 ARG A 51 -30.855 11.169 10.605 1.00 0.00 H ATOM 444 HH22 ARG A 51 -28.361 8.626 10.754 1.00 0.00 H ATOM 445 HH21 ARG A 51 -28.928 7.800 9.257 1.00 0.00 H ATOM 446 H ARG A 51 -28.864 11.124 4.744 1.00 0.00 H ATOM 447 N GLU A 52 -27.900 12.850 7.479 1.00 15.62 N ATOM 448 CA GLU A 52 -27.146 13.521 8.535 1.00 23.78 C ATOM 449 C GLU A 52 -26.639 14.882 8.087 1.00 19.69 C ATOM 450 O GLU A 52 -26.522 15.799 8.910 1.00 20.01 O ATOM 451 CB GLU A 52 -25.968 12.659 8.999 1.00 28.38 C ATOM 452 CG GLU A 52 -26.351 11.465 9.884 1.00 31.96 C ATOM 453 CD GLU A 52 -26.878 11.856 11.267 1.00 37.16 C ATOM 454 OE1 GLU A 52 -26.775 13.038 11.664 1.00 37.41 O ATOM 455 OE2 GLU A 52 -27.404 10.964 11.969 1.00 39.17 O ATOM 456 H GLU A 52 -27.517 11.995 7.027 1.00 0.00 H ATOM 457 N LEU A 53 -26.289 15.030 6.811 1.00 16.83 N ATOM 458 CA LEU A 53 -25.864 16.345 6.337 1.00 17.22 C ATOM 459 C LEU A 53 -26.983 17.364 6.510 1.00 18.80 C ATOM 460 O LEU A 53 -26.768 18.459 7.043 1.00 18.02 O ATOM 461 CB LEU A 53 -25.415 16.258 4.880 1.00 17.04 C ATOM 462 CG LEU A 53 -24.972 17.573 4.238 1.00 18.46 C ATOM 463 CD1 LEU A 53 -23.721 18.141 4.884 1.00 17.17 C ATOM 464 CD2 LEU A 53 -24.756 17.372 2.762 1.00 22.27 C ATOM 465 H LEU A 53 -26.318 14.220 6.160 1.00 0.00 H ATOM 466 N GLN A 54 -28.203 16.997 6.111 1.00 21.84 N ATOM 467 CA GLN A 54 -29.347 17.891 6.276 1.00 25.74 C ATOM 468 C GLN A 54 -29.632 18.169 7.748 1.00 25.75 C ATOM 469 O GLN A 54 -29.800 19.326 8.153 1.00 26.05 O ATOM 470 CB GLN A 54 -30.572 17.281 5.601 1.00 30.94 C ATOM 471 CG GLN A 54 -31.906 17.868 6.053 1.00 37.97 C ATOM 472 CD GLN A 54 -31.994 19.358 5.800 1.00 42.02 C ATOM 473 OE1 GLN A 54 -31.734 19.826 4.688 1.00 43.00 O ATOM 474 NE2 GLN A 54 -32.362 20.116 6.834 1.00 42.98 N ATOM 475 HE22 GLN A 54 -32.571 19.676 7.753 1.00 0.00 H ATOM 476 HE21 GLN A 54 -32.440 21.147 6.721 1.00 0.00 H ATOM 477 H GLN A 54 -28.341 16.062 5.677 1.00 0.00 H ATOM 478 N GLU A 55 -29.700 17.117 8.569 1.00 27.40 N ATOM 479 CA GLU A 55 -30.038 17.309 9.979 1.00 30.02 C ATOM 480 C GLU A 55 -29.043 18.226 10.680 1.00 27.52 C ATOM 481 O GLU A 55 -29.431 19.044 11.523 1.00 26.41 O ATOM 482 CB GLU A 55 -30.101 15.963 10.698 1.00 31.72 C ATOM 483 CG GLU A 55 -31.257 15.091 10.297 1.00 36.48 C ATOM 484 CD GLU A 55 -31.317 13.816 11.117 1.00 40.01 C ATOM 485 OE1 GLU A 55 -30.440 13.633 11.987 1.00 40.74 O ATOM 486 OE2 GLU A 55 -32.237 13.002 10.895 1.00 42.83 O ATOM 487 H GLU A 55 -29.512 16.161 8.205 1.00 0.00 H ATOM 488 N GLU A 56 -27.756 18.113 10.340 1.00 24.75 N ATOM 489 CA GLU A 56 -26.703 18.790 11.079 1.00 24.68 C ATOM 490 C GLU A 56 -26.294 20.135 10.489 1.00 25.77 C ATOM 491 O GLU A 56 -25.809 21.000 11.230 1.00 24.16 O ATOM 492 CB GLU A 56 -25.463 17.898 11.151 1.00 26.62 C ATOM 493 CG GLU A 56 -25.557 16.764 12.148 1.00 30.47 C ATOM 494 CD GLU A 56 -24.230 16.510 12.821 1.00 35.47 C ATOM 495 OE1 GLU A 56 -23.216 16.395 12.099 1.00 32.31 O ATOM 496 OE2 GLU A 56 -24.189 16.442 14.071 1.00 37.35 O ATOM 497 H GLU A 56 -27.500 17.523 9.523 1.00 0.00 H ATOM 498 N SER A 57 -26.432 20.326 9.175 1.00 22.36 N ATOM 499 CA SER A 57 -25.969 21.545 8.527 1.00 20.13 C ATOM 500 C SER A 57 -27.070 22.358 7.876 1.00 21.87 C ATOM 501 O SER A 57 -26.828 23.519 7.536 1.00 24.17 O ATOM 502 CB SER A 57 -24.918 21.223 7.454 1.00 16.62 C ATOM 503 OG SER A 57 -25.534 20.670 6.312 1.00 18.46 O ATOM 504 HG SER A 57 -26.005 19.836 6.563 1.00 0.00 H ATOM 505 H SER A 57 -26.882 19.585 8.600 1.00 0.00 H ATOM 506 N GLY A 58 -28.260 21.789 7.683 1.00 22.76 N ATOM 507 CA GLY A 58 -29.304 22.447 6.935 1.00 23.46 C ATOM 508 C GLY A 58 -29.170 22.358 5.433 1.00 22.27 C ATOM 509 O GLY A 58 -30.082 22.792 4.724 1.00 22.56 O ATOM 510 H GLY A 58 -28.441 20.846 8.082 1.00 0.00 H ATOM 511 N LEU A 59 -28.078 21.801 4.920 1.00 22.54 N ATOM 512 CA LEU A 59 -27.843 21.740 3.483 1.00 23.60 C ATOM 513 C LEU A 59 -28.484 20.501 2.871 1.00 24.25 C ATOM 514 O LEU A 59 -28.563 19.441 3.495 1.00 25.53 O ATOM 515 CB LEU A 59 -26.346 21.714 3.174 1.00 22.87 C ATOM 516 CG LEU A 59 -25.466 22.882 3.602 1.00 23.11 C ATOM 517 CD1 LEU A 59 -24.017 22.596 3.184 1.00 22.67 C ATOM 518 CD2 LEU A 59 -25.957 24.169 2.976 1.00 25.40 C ATOM 519 H LEU A 59 -27.369 21.396 5.564 1.00 0.00 H ATOM 520 N THR A 60 -28.887 20.630 1.615 1.00 22.80 N ATOM 521 CA THR A 60 -29.360 19.506 0.823 1.00 23.83 C ATOM 522 C THR A 60 -28.299 19.162 -0.213 1.00 25.37 C ATOM 523 O THR A 60 -27.835 20.039 -0.946 1.00 24.17 O ATOM 524 CB THR A 60 -30.690 19.845 0.148 1.00 25.36 C ATOM 525 OG1 THR A 60 -31.653 20.186 1.157 1.00 27.33 O ATOM 526 CG2 THR A 60 -31.199 18.663 -0.660 1.00 26.72 C ATOM 527 HG1 THR A 60 -31.329 20.969 1.670 1.00 0.00 H ATOM 528 H THR A 60 -28.864 21.574 1.178 1.00 0.00 H ATOM 529 N VAL A 61 -27.892 17.900 -0.265 1.00 29.74 N ATOM 530 CA VAL A 61 -26.860 17.485 -1.207 1.00 31.52 C ATOM 531 C VAL A 61 -27.518 16.776 -2.379 1.00 38.58 C ATOM 532 O VAL A 61 -28.364 15.892 -2.193 1.00 40.97 O ATOM 533 CB VAL A 61 -25.786 16.608 -0.534 1.00 29.59 C ATOM 534 CG1 VAL A 61 -26.390 15.388 0.125 1.00 28.33 C ATOM 535 CG2 VAL A 61 -24.720 16.223 -1.538 1.00 27.02 C ATOM 536 H VAL A 61 -28.315 17.198 0.375 1.00 0.00 H ATOM 537 N ASP A 62 -27.168 17.205 -3.588 1.00 41.85 N ATOM 538 CA ASP A 62 -27.518 16.464 -4.787 1.00 46.12 C ATOM 539 C ASP A 62 -26.557 15.294 -4.928 1.00 45.33 C ATOM 540 O ASP A 62 -26.889 14.154 -4.585 1.00 47.83 O ATOM 541 CB ASP A 62 -27.464 17.369 -6.022 1.00 48.48 C ATOM 542 H ASP A 62 -26.631 18.091 -3.677 1.00 0.00 H ATOM 543 N ALA A 63 -25.346 15.580 -5.389 1.00 40.23 N ATOM 544 CA ALA A 63 -24.372 14.547 -5.691 1.00 35.30 C ATOM 545 C ALA A 63 -23.455 14.307 -4.496 1.00 29.45 C ATOM 546 O ALA A 63 -22.982 15.253 -3.861 1.00 31.24 O ATOM 547 CB ALA A 63 -23.551 14.937 -6.922 1.00 36.07 C ATOM 548 H ALA A 63 -25.086 16.576 -5.539 1.00 0.00 H ATOM 549 N LEU A 64 -23.205 13.034 -4.207 1.00 26.00 N ATOM 550 CA LEU A 64 -22.348 12.607 -3.105 1.00 29.11 C ATOM 551 C LEU A 64 -21.442 11.497 -3.616 1.00 27.94 C ATOM 552 O LEU A 64 -21.852 10.704 -4.465 1.00 31.01 O ATOM 553 CB LEU A 64 -23.210 12.105 -1.931 1.00 31.30 C ATOM 554 CG LEU A 64 -22.815 12.235 -0.469 1.00 31.20 C ATOM 555 CD1 LEU A 64 -22.367 13.646 -0.149 1.00 34.36 C ATOM 556 CD2 LEU A 64 -24.002 11.880 0.382 1.00 31.21 C ATOM 557 H LEU A 64 -23.645 12.301 -4.799 1.00 0.00 H ATOM 558 N HIS A 65 -20.207 11.430 -3.124 1.00 21.95 N ATOM 559 CA HIS A 65 -19.465 10.225 -3.460 1.00 23.69 C ATOM 560 C HIS A 65 -18.567 9.787 -2.319 1.00 19.03 C ATOM 561 O HIS A 65 -18.133 10.582 -1.481 1.00 14.75 O ATOM 562 CB HIS A 65 -18.656 10.372 -4.750 1.00 29.52 C ATOM 563 CG HIS A 65 -17.536 11.356 -4.669 1.00 33.26 C ATOM 564 ND1 HIS A 65 -17.704 12.693 -4.956 1.00 34.55 N ATOM 565 CD2 HIS A 65 -16.223 11.191 -4.383 1.00 33.73 C ATOM 566 CE1 HIS A 65 -16.544 13.312 -4.839 1.00 34.58 C ATOM 567 NE2 HIS A 65 -15.632 12.427 -4.477 1.00 33.95 N ATOM 568 H HIS A 65 -19.800 12.188 -2.539 1.00 0.00 H ATOM 569 N LYS A 66 -18.293 8.495 -2.306 1.00 17.60 N ATOM 570 CA LYS A 66 -17.521 7.907 -1.222 1.00 16.88 C ATOM 571 C LYS A 66 -16.046 8.219 -1.429 1.00 15.64 C ATOM 572 O LYS A 66 -15.530 8.092 -2.547 1.00 18.54 O ATOM 573 CB LYS A 66 -17.758 6.394 -1.187 1.00 21.83 C ATOM 574 H LYS A 66 -18.633 7.890 -3.081 1.00 0.00 H ATOM 575 N VAL A 67 -15.369 8.631 -0.360 1.00 13.00 N ATOM 576 CA VAL A 67 -13.938 8.894 -0.445 1.00 14.42 C ATOM 577 C VAL A 67 -13.125 8.128 0.575 1.00 13.76 C ATOM 578 O VAL A 67 -11.904 7.989 0.385 1.00 14.71 O ATOM 579 CB VAL A 67 -13.632 10.405 -0.350 1.00 15.72 C ATOM 580 CG1 VAL A 67 -14.207 11.125 -1.552 1.00 18.63 C ATOM 581 CG2 VAL A 67 -14.155 10.999 0.926 1.00 12.52 C ATOM 582 H VAL A 67 -15.865 8.766 0.544 1.00 0.00 H ATOM 583 N GLY A 68 -13.716 7.583 1.631 1.00 12.76 N ATOM 584 CA GLY A 68 -12.893 6.859 2.578 1.00 11.47 C ATOM 585 C GLY A 68 -13.696 6.018 3.546 1.00 11.35 C ATOM 586 O GLY A 68 -14.912 6.154 3.686 1.00 11.42 O ATOM 587 H GLY A 68 -14.742 7.673 1.775 1.00 0.00 H ATOM 588 N GLN A 69 -12.976 5.132 4.221 1.00 12.03 N ATOM 589 CA GLN A 69 -13.521 4.403 5.353 1.00 12.48 C ATOM 590 C GLN A 69 -12.456 4.426 6.430 1.00 13.67 C ATOM 591 O GLN A 69 -11.313 4.051 6.163 1.00 12.65 O ATOM 592 CB GLN A 69 -13.878 2.963 4.962 1.00 16.42 C ATOM 593 CG GLN A 69 -14.354 2.090 6.113 1.00 22.46 C ATOM 594 CD GLN A 69 -14.810 0.719 5.636 1.00 29.14 C ATOM 595 OE1 GLN A 69 -14.747 0.417 4.443 1.00 32.71 O ATOM 596 NE2 GLN A 69 -15.281 -0.111 6.561 1.00 28.73 N ATOM 597 HE22 GLN A 69 -15.316 0.186 7.557 1.00 0.00 H ATOM 598 HE21 GLN A 69 -15.615 -1.058 6.289 1.00 0.00 H ATOM 599 H GLN A 69 -11.993 4.954 3.932 1.00 0.00 H ATOM 600 N ILE A 70 -12.812 4.873 7.630 1.00 10.51 N ATOM 601 CA ILE A 70 -11.858 4.921 8.733 1.00 10.32 C ATOM 602 C ILE A 70 -12.471 4.214 9.923 1.00 11.84 C ATOM 603 O ILE A 70 -13.596 4.530 10.311 1.00 11.60 O ATOM 604 CB ILE A 70 -11.502 6.353 9.151 1.00 15.16 C ATOM 605 CG1 ILE A 70 -11.084 7.205 7.971 1.00 17.34 C ATOM 606 CG2 ILE A 70 -10.332 6.312 10.167 1.00 15.20 C ATOM 607 CD1 ILE A 70 -10.964 8.676 8.358 1.00 19.31 C ATOM 608 H ILE A 70 -13.789 5.195 7.786 1.00 0.00 H ATOM 609 N VAL A 71 -11.721 3.299 10.530 1.00 10.94 N ATOM 610 CA VAL A 71 -12.163 2.602 11.730 1.00 12.59 C ATOM 611 C VAL A 71 -11.463 3.250 12.909 1.00 13.13 C ATOM 612 O VAL A 71 -10.236 3.405 12.888 1.00 11.18 O ATOM 613 CB VAL A 71 -11.846 1.099 11.652 1.00 13.52 C ATOM 614 CG1 VAL A 71 -12.090 0.432 13.023 1.00 13.17 C ATOM 615 CG2 VAL A 71 -12.702 0.440 10.569 1.00 14.54 C ATOM 616 H VAL A 71 -10.786 3.073 10.134 1.00 0.00 H ATOM 617 N PHE A 72 -12.231 3.641 13.933 1.00 11.29 N ATOM 618 CA PHE A 72 -11.662 4.204 15.148 1.00 11.39 C ATOM 619 C PHE A 72 -11.834 3.231 16.296 1.00 12.24 C ATOM 620 O PHE A 72 -12.940 2.744 16.537 1.00 12.65 O ATOM 621 CB PHE A 72 -12.321 5.537 15.506 1.00 11.03 C ATOM 622 CG PHE A 72 -12.069 6.609 14.494 1.00 12.61 C ATOM 623 CD1 PHE A 72 -10.807 7.183 14.390 1.00 11.48 C ATOM 624 CD2 PHE A 72 -13.082 7.045 13.645 1.00 12.70 C ATOM 625 CE1 PHE A 72 -10.550 8.174 13.447 1.00 13.33 C ATOM 626 CE2 PHE A 72 -12.834 8.048 12.700 1.00 13.24 C ATOM 627 CZ PHE A 72 -11.561 8.615 12.611 1.00 12.32 C ATOM 628 H PHE A 72 -13.263 3.540 13.858 1.00 0.00 H ATOM 629 N GLU A 73 -10.739 2.967 17.003 1.00 12.65 N ATOM 630 CA GLU A 73 -10.758 2.209 18.242 1.00 13.62 C ATOM 631 C GLU A 73 -10.407 3.152 19.379 1.00 13.83 C ATOM 632 O GLU A 73 -9.465 3.944 19.256 1.00 15.14 O ATOM 633 CB GLU A 73 -9.775 1.044 18.199 1.00 15.05 C ATOM 634 CG GLU A 73 -9.777 0.264 19.494 1.00 19.03 C ATOM 635 CD GLU A 73 -8.619 -0.682 19.622 1.00 21.53 C ATOM 636 OE1 GLU A 73 -8.028 -1.079 18.587 1.00 24.89 O ATOM 637 OE2 GLU A 73 -8.304 -1.036 20.773 1.00 22.33 O ATOM 638 H GLU A 73 -9.826 3.320 16.652 1.00 0.00 H ATOM 639 N PHE A 74 -11.197 3.111 20.450 1.00 14.52 N ATOM 640 CA PHE A 74 -10.856 3.792 21.693 1.00 15.11 C ATOM 641 C PHE A 74 -10.566 2.706 22.710 1.00 16.40 C ATOM 642 O PHE A 74 -11.437 1.876 22.991 1.00 17.05 O ATOM 643 CB PHE A 74 -11.984 4.713 22.163 1.00 15.11 C ATOM 644 CG PHE A 74 -12.191 5.886 21.261 1.00 16.00 C ATOM 645 CD1 PHE A 74 -13.010 5.778 20.161 1.00 16.85 C ATOM 646 CD2 PHE A 74 -11.524 7.079 21.491 1.00 17.00 C ATOM 647 CE1 PHE A 74 -13.184 6.858 19.297 1.00 17.77 C ATOM 648 CE2 PHE A 74 -11.699 8.164 20.639 1.00 19.55 C ATOM 649 CZ PHE A 74 -12.524 8.044 19.539 1.00 19.30 C ATOM 650 H PHE A 74 -12.087 2.575 20.398 1.00 0.00 H ATOM 651 N VAL A 75 -9.339 2.688 23.241 1.00 16.93 N ATOM 652 CA VAL A 75 -8.965 1.594 24.128 1.00 18.28 C ATOM 653 C VAL A 75 -9.903 1.599 25.326 1.00 19.34 C ATOM 654 O VAL A 75 -10.237 2.656 25.867 1.00 20.29 O ATOM 655 CB VAL A 75 -7.495 1.719 24.563 1.00 22.34 C ATOM 656 CG1 VAL A 75 -6.570 1.438 23.379 1.00 23.45 C ATOM 657 CG2 VAL A 75 -7.211 3.077 25.183 1.00 24.02 C ATOM 658 H VAL A 75 -8.660 3.445 23.024 1.00 0.00 H ATOM 659 N GLY A 76 -10.383 0.415 25.706 1.00 20.37 N ATOM 660 CA GLY A 76 -11.334 0.291 26.786 1.00 24.91 C ATOM 661 C GLY A 76 -12.793 0.399 26.394 1.00 26.79 C ATOM 662 O GLY A 76 -13.665 0.208 27.254 1.00 28.61 O ATOM 663 H GLY A 76 -10.064 -0.443 25.212 1.00 0.00 H ATOM 664 N GLU A 77 -13.092 0.720 25.141 1.00 19.82 N ATOM 665 CA GLU A 77 -14.470 0.809 24.683 1.00 19.58 C ATOM 666 C GLU A 77 -14.740 -0.339 23.730 1.00 19.52 C ATOM 667 O GLU A 77 -13.952 -0.550 22.804 1.00 18.68 O ATOM 668 CB GLU A 77 -14.739 2.146 23.989 1.00 23.52 C ATOM 669 CG GLU A 77 -14.456 3.351 24.881 1.00 28.38 C ATOM 670 CD GLU A 77 -15.126 4.618 24.379 1.00 29.08 C ATOM 671 H GLU A 77 -12.321 0.913 24.470 1.00 0.00 H ATOM 672 N PRO A 78 -15.794 -1.128 23.948 1.00 20.58 N ATOM 673 CA PRO A 78 -15.981 -2.327 23.113 1.00 20.83 C ATOM 674 C PRO A 78 -16.280 -2.022 21.662 1.00 19.53 C ATOM 675 O PRO A 78 -15.855 -2.780 20.788 1.00 19.35 O ATOM 676 CB PRO A 78 -17.159 -3.054 23.786 1.00 22.48 C ATOM 677 CG PRO A 78 -17.846 -2.006 24.610 1.00 25.14 C ATOM 678 CD PRO A 78 -16.752 -1.070 25.067 1.00 21.94 C ATOM 679 N GLU A 79 -16.998 -0.947 21.367 1.00 18.77 N ATOM 680 CA GLU A 79 -17.505 -0.713 20.021 1.00 21.28 C ATOM 681 C GLU A 79 -16.494 0.048 19.168 1.00 20.87 C ATOM 682 O GLU A 79 -16.046 1.133 19.552 1.00 17.94 O ATOM 683 CB GLU A 79 -18.809 0.080 20.112 1.00 27.33 C ATOM 684 CG GLU A 79 -19.757 -0.063 18.948 1.00 32.76 C ATOM 685 CD GLU A 79 -21.157 0.405 19.322 1.00 36.15 C ATOM 686 OE1 GLU A 79 -21.381 1.633 19.333 1.00 35.98 O ATOM 687 OE2 GLU A 79 -22.013 -0.454 19.639 1.00 38.44 O ATOM 688 H GLU A 79 -17.204 -0.254 22.114 1.00 0.00 H ATOM 689 N LEU A 80 -16.154 -0.503 18.002 1.00 16.02 N ATOM 690 CA LEU A 80 -15.386 0.260 17.020 1.00 14.78 C ATOM 691 C LEU A 80 -16.327 1.171 16.231 1.00 19.01 C ATOM 692 O LEU A 80 -17.483 0.821 15.986 1.00 19.35 O ATOM 693 CB LEU A 80 -14.640 -0.684 16.067 1.00 14.81 C ATOM 694 CG LEU A 80 -13.666 -1.708 16.673 1.00 17.23 C ATOM 695 CD1 LEU A 80 -13.085 -2.625 15.614 1.00 17.13 C ATOM 696 CD2 LEU A 80 -12.538 -1.002 17.412 1.00 16.18 C ATOM 697 H LEU A 80 -16.437 -1.481 17.790 1.00 0.00 H ATOM 698 N MET A 81 -15.838 2.361 15.847 1.00 13.15 N ATOM 699 CA MET A 81 -16.591 3.242 14.951 1.00 12.60 C ATOM 700 C MET A 81 -16.115 3.018 13.524 1.00 15.56 C ATOM 701 O MET A 81 -14.949 3.252 13.211 1.00 15.33 O ATOM 702 CB MET A 81 -16.444 4.723 15.310 1.00 11.97 C ATOM 703 CG MET A 81 -16.742 5.078 16.741 1.00 19.51 C ATOM 704 SD MET A 81 -16.364 6.845 16.962 1.00 24.39 S ATOM 705 CE MET A 81 -17.372 7.627 15.697 1.00 25.28 C ATOM 706 H MET A 81 -14.905 2.664 16.193 1.00 0.00 H ATOM 707 N ASP A 82 -17.021 2.559 12.670 1.00 13.33 N ATOM 708 CA ASP A 82 -16.741 2.290 11.264 1.00 12.41 C ATOM 709 C ASP A 82 -17.295 3.472 10.481 1.00 12.49 C ATOM 710 O ASP A 82 -18.492 3.519 10.197 1.00 12.96 O ATOM 711 CB ASP A 82 -17.405 0.981 10.851 1.00 15.95 C ATOM 712 CG ASP A 82 -17.122 0.596 9.413 1.00 23.01 C ATOM 713 OD1 ASP A 82 -17.773 -0.357 8.929 1.00 25.91 O ATOM 714 OD2 ASP A 82 -16.252 1.220 8.783 1.00 23.95 O ATOM 715 H ASP A 82 -17.983 2.381 13.022 1.00 0.00 H ATOM 716 N VAL A 83 -16.439 4.438 10.173 1.00 13.37 N ATOM 717 CA VAL A 83 -16.887 5.720 9.638 1.00 10.78 C ATOM 718 C VAL A 83 -16.725 5.704 8.129 1.00 10.84 C ATOM 719 O VAL A 83 -15.614 5.558 7.613 1.00 12.80 O ATOM 720 CB VAL A 83 -16.125 6.895 10.263 1.00 10.15 C ATOM 721 CG1 VAL A 83 -16.644 8.187 9.669 1.00 10.25 C ATOM 722 CG2 VAL A 83 -16.286 6.868 11.812 1.00 10.31 C ATOM 723 H VAL A 83 -15.422 4.277 10.317 1.00 0.00 H ATOM 724 N HIS A 84 -17.823 5.883 7.419 1.00 11.23 N ATOM 725 CA HIS A 84 -17.812 5.971 5.968 1.00 11.50 C ATOM 726 C HIS A 84 -17.827 7.437 5.568 1.00 11.11 C ATOM 727 O HIS A 84 -18.772 8.159 5.909 1.00 11.14 O ATOM 728 CB HIS A 84 -19.014 5.216 5.411 1.00 12.44 C ATOM 729 CG HIS A 84 -18.913 3.739 5.622 1.00 13.03 C ATOM 730 ND1 HIS A 84 -18.763 2.852 4.583 1.00 13.77 N ATOM 731 CD2 HIS A 84 -18.867 3.003 6.759 1.00 13.13 C ATOM 732 CE1 HIS A 84 -18.678 1.623 5.065 1.00 18.22 C ATOM 733 NE2 HIS A 84 -18.728 1.688 6.384 1.00 13.92 N ATOM 734 H HIS A 84 -18.732 5.964 7.917 1.00 0.00 H ATOM 735 N VAL A 85 -16.772 7.882 4.867 1.00 10.87 N ATOM 736 CA VAL A 85 -16.539 9.302 4.603 1.00 10.57 C ATOM 737 C VAL A 85 -16.961 9.615 3.177 1.00 11.18 C ATOM 738 O VAL A 85 -16.635 8.870 2.242 1.00 13.03 O ATOM 739 CB VAL A 85 -15.065 9.688 4.822 1.00 10.14 C ATOM 740 CG1 VAL A 85 -14.871 11.206 4.637 1.00 10.00 C ATOM 741 CG2 VAL A 85 -14.587 9.228 6.202 1.00 10.28 C ATOM 742 H VAL A 85 -16.092 7.188 4.496 1.00 0.00 H ATOM 743 N PHE A 86 -17.694 10.714 3.013 1.00 11.28 N ATOM 744 CA PHE A 86 -18.204 11.133 1.717 1.00 12.02 C ATOM 745 C PHE A 86 -17.819 12.579 1.484 1.00 11.91 C ATOM 746 O PHE A 86 -17.678 13.358 2.430 1.00 11.64 O ATOM 747 CB PHE A 86 -19.752 11.033 1.627 1.00 12.64 C ATOM 748 CG PHE A 86 -20.289 9.640 1.758 1.00 13.05 C ATOM 749 CD1 PHE A 86 -20.425 9.044 2.997 1.00 13.81 C ATOM 750 CD2 PHE A 86 -20.678 8.927 0.631 1.00 14.97 C ATOM 751 CE1 PHE A 86 -20.933 7.739 3.108 1.00 13.69 C ATOM 752 CE2 PHE A 86 -21.188 7.637 0.738 1.00 15.84 C ATOM 753 CZ PHE A 86 -21.315 7.046 1.976 1.00 15.96 C ATOM 754 H PHE A 86 -17.911 11.297 3.846 1.00 0.00 H ATOM 755 N CYS A 87 -17.695 12.955 0.220 1.00 12.62 N ATOM 756 CA CYS A 87 -17.485 14.336 -0.202 1.00 17.27 C ATOM 757 C CYS A 87 -18.621 14.771 -1.109 1.00 17.90 C ATOM 758 O CYS A 87 -19.032 13.999 -1.979 1.00 15.57 O ATOM 759 CB CYS A 87 -16.182 14.480 -0.963 1.00 20.29 C ATOM 760 SG CYS A 87 -14.808 14.746 0.101 1.00 22.58 S ATOM 761 H CYS A 87 -17.751 12.222 -0.516 1.00 0.00 H ATOM 762 N THR A 88 -19.094 15.999 -0.948 1.00 13.96 N ATOM 763 CA THR A 88 -20.176 16.464 -1.786 1.00 27.40 C ATOM 764 C THR A 88 -19.612 16.935 -3.108 1.00 33.43 C ATOM 765 O THR A 88 -18.437 17.301 -3.212 1.00 36.53 O ATOM 766 CB THR A 88 -20.937 17.609 -1.125 1.00 28.23 C ATOM 767 OG1 THR A 88 -20.029 18.694 -0.910 1.00 30.69 O ATOM 768 CG2 THR A 88 -21.526 17.162 0.196 1.00 27.56 C ATOM 769 HG1 THR A 88 -19.659 18.991 -1.779 1.00 0.00 H ATOM 770 H THR A 88 -18.689 16.624 -0.223 1.00 0.00 H ATOM 771 N ASP A 89 -20.468 16.915 -4.123 1.00 35.21 N ATOM 772 CA ASP A 89 -20.156 17.506 -5.412 1.00 38.05 C ATOM 773 C ASP A 89 -21.047 18.686 -5.754 1.00 38.18 C ATOM 774 O ASP A 89 -20.606 19.588 -6.469 1.00 40.96 O ATOM 775 CB ASP A 89 -20.248 16.438 -6.507 1.00 42.95 C ATOM 776 CG ASP A 89 -19.450 15.195 -6.153 1.00 47.14 C ATOM 777 OD1 ASP A 89 -18.217 15.336 -6.000 1.00 48.73 O ATOM 778 OD2 ASP A 89 -20.032 14.096 -6.012 1.00 47.65 O ATOM 779 H ASP A 89 -21.394 16.460 -3.990 1.00 0.00 H ATOM 780 N SER A 90 -22.274 18.705 -5.238 1.00 36.21 N ATOM 781 CA SER A 90 -23.188 19.825 -5.400 1.00 35.91 C ATOM 782 C SER A 90 -24.015 19.930 -4.128 1.00 33.85 C ATOM 783 O SER A 90 -24.324 18.918 -3.498 1.00 34.45 O ATOM 784 CB SER A 90 -24.092 19.639 -6.626 1.00 37.77 C ATOM 785 H SER A 90 -22.595 17.879 -4.693 1.00 0.00 H ATOM 786 N ILE A 91 -24.353 21.160 -3.737 1.00 31.35 N ATOM 787 CA ILE A 91 -25.171 21.404 -2.553 1.00 29.02 C ATOM 788 C ILE A 91 -26.196 22.492 -2.848 1.00 26.46 C ATOM 789 O ILE A 91 -26.046 23.290 -3.778 1.00 26.35 O ATOM 790 CB ILE A 91 -24.345 21.817 -1.318 1.00 31.08 C ATOM 791 CG1 ILE A 91 -23.523 23.067 -1.627 1.00 33.90 C ATOM 792 CG2 ILE A 91 -23.473 20.663 -0.829 1.00 31.81 C ATOM 793 CD1 ILE A 91 -23.067 23.809 -0.395 1.00 34.69 C ATOM 794 H ILE A 91 -24.022 21.973 -4.295 1.00 0.00 H ATOM 795 N GLN A 92 -27.256 22.508 -2.033 1.00 23.15 N ATOM 796 CA GLN A 92 -28.249 23.579 -2.033 1.00 26.33 C ATOM 797 C GLN A 92 -28.526 24.039 -0.609 1.00 25.30 C ATOM 798 O GLN A 92 -28.480 23.249 0.339 1.00 24.73 O ATOM 799 CB GLN A 92 -29.575 23.149 -2.659 1.00 28.49 C ATOM 800 CG GLN A 92 -29.438 22.560 -4.017 1.00 32.18 C ATOM 801 CD GLN A 92 -30.780 22.247 -4.623 1.00 38.88 C ATOM 802 OE1 GLN A 92 -31.502 23.147 -5.048 1.00 40.85 O ATOM 803 NE2 GLN A 92 -31.132 20.968 -4.653 1.00 40.60 N ATOM 804 HE22 GLN A 92 -30.487 20.242 -4.281 1.00 0.00 H ATOM 805 HE21 GLN A 92 -32.053 20.691 -5.048 1.00 0.00 H ATOM 806 H GLN A 92 -27.379 21.719 -1.367 1.00 0.00 H ATOM 807 N GLY A 93 -28.854 25.318 -0.469 1.00 27.22 N ATOM 808 CA GLY A 93 -29.137 25.886 0.833 1.00 26.30 C ATOM 809 C GLY A 93 -27.945 26.633 1.407 1.00 25.92 C ATOM 810 O GLY A 93 -26.852 26.691 0.834 1.00 24.19 O ATOM 811 H GLY A 93 -28.909 25.925 -1.312 1.00 0.00 H ATOM 812 N THR A 94 -28.195 27.237 2.563 1.00 26.97 N ATOM 813 CA THR A 94 -27.211 27.991 3.317 1.00 25.94 C ATOM 814 C THR A 94 -26.986 27.302 4.651 1.00 22.52 C ATOM 815 O THR A 94 -27.961 26.919 5.314 1.00 23.34 O ATOM 816 CB THR A 94 -27.690 29.432 3.545 1.00 28.98 C ATOM 817 OG1 THR A 94 -27.880 30.076 2.280 1.00 33.24 O ATOM 818 CG2 THR A 94 -26.675 30.226 4.376 1.00 27.88 C ATOM 819 HG1 THR A 94 -28.559 29.580 1.757 1.00 0.00 H ATOM 820 H THR A 94 -29.157 27.165 2.952 1.00 0.00 H ATOM 821 N PRO A 95 -25.741 27.108 5.080 1.00 18.10 N ATOM 822 CA PRO A 95 -25.496 26.413 6.350 1.00 17.19 C ATOM 823 C PRO A 95 -26.171 27.134 7.507 1.00 20.37 C ATOM 824 O PRO A 95 -26.223 28.365 7.551 1.00 20.90 O ATOM 825 CB PRO A 95 -23.969 26.433 6.481 1.00 20.02 C ATOM 826 CG PRO A 95 -23.469 26.590 5.098 1.00 19.21 C ATOM 827 CD PRO A 95 -24.485 27.459 4.388 1.00 17.87 C ATOM 828 N VAL A 96 -26.720 26.353 8.433 1.00 21.78 N ATOM 829 CA VAL A 96 -27.616 26.856 9.472 1.00 24.20 C ATOM 830 C VAL A 96 -26.923 26.685 10.816 1.00 22.81 C ATOM 831 O VAL A 96 -26.546 25.566 11.172 1.00 23.90 O ATOM 832 CB VAL A 96 -28.958 26.105 9.455 1.00 25.71 C ATOM 833 CG1 VAL A 96 -29.823 26.540 10.627 1.00 27.77 C ATOM 834 CG2 VAL A 96 -29.686 26.327 8.141 1.00 28.58 C ATOM 835 H VAL A 96 -26.501 25.336 8.417 1.00 0.00 H ATOM 836 N GLU A 97 -26.735 27.772 11.567 1.00 18.50 N ATOM 837 CA GLU A 97 -26.224 27.586 12.920 1.00 23.02 C ATOM 838 C GLU A 97 -27.365 27.213 13.847 1.00 20.71 C ATOM 839 O GLU A 97 -28.448 27.805 13.798 1.00 22.39 O ATOM 840 CB GLU A 97 -25.508 28.816 13.478 1.00 27.77 C ATOM 841 CG GLU A 97 -25.142 28.595 14.963 1.00 30.50 C ATOM 842 CD GLU A 97 -24.232 29.645 15.557 1.00 35.33 C ATOM 843 OE1 GLU A 97 -23.943 30.624 14.853 1.00 36.68 O ATOM 844 OE2 GLU A 97 -23.815 29.488 16.731 1.00 35.10 O ATOM 845 H GLU A 97 -26.946 28.722 11.199 1.00 0.00 H ATOM 846 N SER A 98 -27.112 26.232 14.701 1.00 20.33 N ATOM 847 CA SER A 98 -28.119 25.679 15.585 1.00 21.13 C ATOM 848 C SER A 98 -27.513 25.532 16.972 1.00 23.40 C ATOM 849 O SER A 98 -26.315 25.766 17.181 1.00 20.22 O ATOM 850 CB SER A 98 -28.607 24.323 15.063 1.00 18.73 C ATOM 851 OG SER A 98 -27.548 23.379 15.085 1.00 19.20 O ATOM 852 HG SER A 98 -27.876 22.509 14.746 1.00 0.00 H ATOM 853 H SER A 98 -26.149 25.842 14.739 1.00 0.00 H ATOM 854 N ASP A 99 -28.360 25.108 17.919 1.00 24.97 N ATOM 855 CA ASP A 99 -27.910 24.806 19.274 1.00 26.42 C ATOM 856 C ASP A 99 -26.829 23.736 19.296 1.00 25.81 C ATOM 857 O ASP A 99 -26.096 23.631 20.286 1.00 26.90 O ATOM 858 CB ASP A 99 -29.099 24.365 20.145 1.00 28.04 C ATOM 859 CG ASP A 99 -29.642 22.979 19.767 1.00 28.41 C ATOM 860 OD1 ASP A 99 -29.653 22.639 18.561 1.00 25.52 O ATOM 861 OD2 ASP A 99 -30.079 22.235 20.683 1.00 29.93 O ATOM 862 H ASP A 99 -29.366 24.991 17.682 1.00 0.00 H ATOM 863 N GLU A 100 -26.702 22.952 18.226 1.00 22.38 N ATOM 864 CA GLU A 100 -25.783 21.826 18.188 1.00 21.26 C ATOM 865 C GLU A 100 -24.505 22.086 17.402 1.00 19.25 C ATOM 866 O GLU A 100 -23.493 21.426 17.665 1.00 17.69 O ATOM 867 CB GLU A 100 -26.483 20.600 17.590 1.00 22.32 C ATOM 868 H GLU A 100 -27.282 23.153 17.387 1.00 0.00 H ATOM 869 N MET A 101 -24.511 23.055 16.484 1.00 17.84 N ATOM 870 CA MET A 101 -23.450 23.162 15.491 1.00 17.98 C ATOM 871 C MET A 101 -23.301 24.598 15.001 1.00 17.57 C ATOM 872 O MET A 101 -24.302 25.266 14.718 1.00 16.22 O ATOM 873 CB MET A 101 -23.748 22.238 14.304 1.00 18.45 C ATOM 874 CG MET A 101 -22.547 21.940 13.435 1.00 17.87 C ATOM 875 SD MET A 101 -21.458 20.703 14.166 1.00 21.13 S ATOM 876 CE MET A 101 -22.376 19.196 13.845 1.00 20.51 C ATOM 877 H MET A 101 -25.288 23.747 16.477 1.00 0.00 H ATOM 878 N ARG A 102 -22.054 25.057 14.871 1.00 15.11 N ATOM 879 CA ARG A 102 -21.779 26.399 14.360 1.00 15.65 C ATOM 880 C ARG A 102 -20.953 26.263 13.085 1.00 14.97 C ATOM 881 O ARG A 102 -19.774 25.868 13.152 1.00 14.39 O ATOM 882 CB ARG A 102 -21.037 27.217 15.419 1.00 18.85 C ATOM 883 CG ARG A 102 -20.463 28.530 14.933 1.00 16.91 C ATOM 884 CD ARG A 102 -19.929 29.385 16.100 1.00 17.87 C ATOM 885 NE ARG A 102 -18.720 28.834 16.707 1.00 17.45 N ATOM 886 CZ ARG A 102 -17.479 29.219 16.399 1.00 20.06 C ATOM 887 NH1 ARG A 102 -17.294 30.135 15.474 1.00 17.90 N ATOM 888 NH2 ARG A 102 -16.419 28.675 16.997 1.00 18.71 N ATOM 889 HE ARG A 102 -18.833 28.092 17.427 1.00 0.00 H ATOM 890 HH12 ARG A 102 -16.330 30.440 15.229 1.00 0.00 H ATOM 891 HH11 ARG A 102 -18.111 30.555 14.987 1.00 0.00 H ATOM 892 HH22 ARG A 102 -15.461 28.989 16.743 1.00 0.00 H ATOM 893 HH21 ARG A 102 -16.550 27.937 17.718 1.00 0.00 H ATOM 894 H ARG A 102 -21.258 24.444 15.140 1.00 0.00 H ATOM 895 N PRO A 103 -21.512 26.535 11.909 1.00 16.92 N ATOM 896 CA PRO A 103 -20.790 26.259 10.662 1.00 16.34 C ATOM 897 C PRO A 103 -19.924 27.426 10.228 1.00 15.15 C ATOM 898 O PRO A 103 -20.226 28.598 10.476 1.00 16.10 O ATOM 899 CB PRO A 103 -21.924 26.051 9.650 1.00 18.44 C ATOM 900 CG PRO A 103 -22.988 27.026 10.129 1.00 22.73 C ATOM 901 CD PRO A 103 -22.870 27.066 11.658 1.00 20.60 C ATOM 902 N CYS A 104 -18.852 27.082 9.518 1.00 14.68 N ATOM 903 CA CYS A 104 -17.944 28.099 9.012 1.00 15.32 C ATOM 904 C CYS A 104 -17.215 27.555 7.794 1.00 14.96 C ATOM 905 O CYS A 104 -16.822 26.390 7.780 1.00 14.09 O ATOM 906 CB CYS A 104 -16.941 28.512 10.087 1.00 17.79 C ATOM 907 SG CYS A 104 -16.136 30.054 9.740 1.00 20.67 S ATOM 908 H CYS A 104 -18.662 26.078 9.324 1.00 0.00 H ATOM 909 N TRP A 105 -17.030 28.404 6.781 1.00 15.78 N ATOM 910 CA TRP A 105 -16.249 28.025 5.610 1.00 15.74 C ATOM 911 C TRP A 105 -14.780 28.320 5.881 1.00 18.66 C ATOM 912 O TRP A 105 -14.446 29.375 6.430 1.00 18.53 O ATOM 913 CB TRP A 105 -16.699 28.789 4.362 1.00 16.77 C ATOM 914 CG TRP A 105 -18.029 28.405 3.792 1.00 16.77 C ATOM 915 CD1 TRP A 105 -19.205 29.073 3.941 1.00 17.41 C ATOM 916 CD2 TRP A 105 -18.314 27.265 2.959 1.00 16.30 C ATOM 917 NE1 TRP A 105 -20.207 28.430 3.250 1.00 17.40 N ATOM 918 CE2 TRP A 105 -19.683 27.323 2.632 1.00 16.74 C ATOM 919 CE3 TRP A 105 -17.535 26.219 2.438 1.00 15.72 C ATOM 920 CZ2 TRP A 105 -20.308 26.362 1.829 1.00 16.64 C ATOM 921 CZ3 TRP A 105 -18.150 25.271 1.633 1.00 15.60 C ATOM 922 CH2 TRP A 105 -19.526 25.349 1.336 1.00 16.07 C ATOM 923 HE1 TRP A 105 -21.200 28.734 3.204 1.00 0.00 H ATOM 924 H TRP A 105 -17.451 29.354 6.828 1.00 0.00 H ATOM 925 N PHE A 106 -13.900 27.403 5.475 1.00 16.41 N ATOM 926 CA PHE A 106 -12.458 27.585 5.636 1.00 15.76 C ATOM 927 C PHE A 106 -11.757 27.543 4.285 1.00 16.33 C ATOM 928 O PHE A 106 -12.023 26.653 3.478 1.00 15.89 O ATOM 929 CB PHE A 106 -11.875 26.500 6.551 1.00 14.81 C ATOM 930 CG PHE A 106 -12.316 26.621 7.971 1.00 14.55 C ATOM 931 CD1 PHE A 106 -13.491 26.021 8.399 1.00 13.86 C ATOM 932 CD2 PHE A 106 -11.581 27.375 8.864 1.00 16.89 C ATOM 933 CE1 PHE A 106 -13.905 26.154 9.710 1.00 14.01 C ATOM 934 CE2 PHE A 106 -11.984 27.504 10.171 1.00 17.53 C ATOM 935 CZ PHE A 106 -13.152 26.909 10.594 1.00 14.75 C ATOM 936 H PHE A 106 -14.251 26.531 5.030 1.00 0.00 H ATOM 937 N GLN A 107 -10.847 28.487 4.048 1.00 19.15 N ATOM 938 CA GLN A 107 -9.957 28.352 2.904 1.00 21.88 C ATOM 939 C GLN A 107 -9.088 27.111 3.068 1.00 20.49 C ATOM 940 O GLN A 107 -8.755 26.701 4.184 1.00 19.65 O ATOM 941 CB GLN A 107 -9.082 29.595 2.759 1.00 25.62 C ATOM 942 CG GLN A 107 -9.874 30.869 2.583 1.00 29.76 C ATOM 943 CD GLN A 107 -10.579 30.924 1.243 1.00 33.52 C ATOM 944 OE1 GLN A 107 -9.940 31.062 0.199 1.00 37.55 O ATOM 945 NE2 GLN A 107 -11.898 30.818 1.264 1.00 31.64 N ATOM 946 HE22 GLN A 107 -12.396 30.703 2.170 1.00 0.00 H ATOM 947 HE21 GLN A 107 -12.436 30.850 0.375 1.00 0.00 H ATOM 948 H GLN A 107 -10.773 29.313 4.675 1.00 0.00 H ATOM 949 N LEU A 108 -8.705 26.508 1.939 1.00 23.19 N ATOM 950 CA LEU A 108 -8.059 25.201 2.008 1.00 24.04 C ATOM 951 C LEU A 108 -6.697 25.238 2.691 1.00 30.39 C ATOM 952 O LEU A 108 -6.267 24.211 3.222 1.00 33.03 O ATOM 953 CB LEU A 108 -7.929 24.600 0.614 1.00 25.41 C ATOM 954 CG LEU A 108 -9.274 24.352 -0.060 1.00 26.19 C ATOM 955 CD1 LEU A 108 -9.083 23.544 -1.327 1.00 28.89 C ATOM 956 CD2 LEU A 108 -10.257 23.681 0.895 1.00 23.94 C ATOM 957 H LEU A 108 -8.866 26.966 1.019 1.00 0.00 H ATOM 958 N ASP A 109 -6.015 26.381 2.707 1.00 29.54 N ATOM 959 CA ASP A 109 -4.746 26.488 3.413 1.00 32.26 C ATOM 960 C ASP A 109 -4.902 26.973 4.845 1.00 33.16 C ATOM 961 O ASP A 109 -3.893 27.210 5.520 1.00 35.81 O ATOM 962 H ASP A 109 -6.394 27.211 2.207 1.00 0.00 H ATOM 963 N GLN A 110 -6.136 27.127 5.318 1.00 28.81 N ATOM 964 CA GLN A 110 -6.426 27.595 6.666 1.00 25.33 C ATOM 965 C GLN A 110 -7.266 26.586 7.446 1.00 22.28 C ATOM 966 O GLN A 110 -7.973 26.962 8.387 1.00 21.07 O ATOM 967 CB GLN A 110 -7.130 28.948 6.616 1.00 30.79 C ATOM 968 CG GLN A 110 -6.234 30.072 6.198 1.00 38.83 C ATOM 969 CD GLN A 110 -5.748 30.852 7.388 1.00 45.42 C ATOM 970 OE1 GLN A 110 -4.763 30.476 8.023 1.00 47.72 O ATOM 971 NE2 GLN A 110 -6.444 31.938 7.714 1.00 47.65 N ATOM 972 HE22 GLN A 110 -7.270 32.216 7.146 1.00 0.00 H ATOM 973 HE21 GLN A 110 -6.162 32.509 8.536 1.00 0.00 H ATOM 974 H GLN A 110 -6.935 26.901 4.692 1.00 0.00 H ATOM 975 N ILE A 111 -7.186 25.309 7.074 1.00 19.85 N ATOM 976 CA ILE A 111 -7.885 24.250 7.821 1.00 18.93 C ATOM 977 C ILE A 111 -7.439 24.286 9.279 1.00 17.80 C ATOM 978 O ILE A 111 -6.221 24.232 9.553 1.00 17.09 O ATOM 979 CB ILE A 111 -7.592 22.869 7.209 1.00 19.42 C ATOM 980 CG1 ILE A 111 -7.750 22.889 5.685 1.00 25.49 C ATOM 981 CG2 ILE A 111 -8.457 21.809 7.853 1.00 14.45 C ATOM 982 CD1 ILE A 111 -9.151 22.970 5.232 1.00 23.08 C ATOM 983 H ILE A 111 -6.619 25.055 6.240 1.00 0.00 H ATOM 984 N PRO A 112 -8.365 24.370 10.244 1.00 16.37 N ATOM 985 CA PRO A 112 -8.024 24.532 11.669 1.00 15.51 C ATOM 986 C PRO A 112 -7.647 23.223 12.358 1.00 16.01 C ATOM 987 O PRO A 112 -8.303 22.784 13.311 1.00 15.62 O ATOM 988 CB PRO A 112 -9.320 25.121 12.240 1.00 17.92 C ATOM 989 CG PRO A 112 -10.383 24.472 11.415 1.00 15.77 C ATOM 990 CD PRO A 112 -9.815 24.496 10.014 1.00 17.72 C ATOM 991 N PHE A 113 -6.546 22.607 11.907 1.00 16.48 N ATOM 992 CA PHE A 113 -6.194 21.270 12.395 1.00 16.15 C ATOM 993 C PHE A 113 -5.964 21.232 13.902 1.00 15.55 C ATOM 994 O PHE A 113 -6.247 20.213 14.543 1.00 16.25 O ATOM 995 CB PHE A 113 -4.948 20.756 11.672 1.00 17.84 C ATOM 996 CG PHE A 113 -5.205 20.363 10.261 1.00 14.09 C ATOM 997 CD1 PHE A 113 -6.016 19.270 9.976 1.00 16.12 C ATOM 998 CD2 PHE A 113 -4.641 21.079 9.215 1.00 18.92 C ATOM 999 CE1 PHE A 113 -6.265 18.907 8.669 1.00 17.56 C ATOM 1000 CE2 PHE A 113 -4.882 20.726 7.903 1.00 20.28 C ATOM 1001 CZ PHE A 113 -5.698 19.634 7.630 1.00 15.67 C ATOM 1002 H PHE A 113 -5.938 23.079 11.208 1.00 0.00 H ATOM 1003 N LYS A 114 -5.433 22.306 14.484 1.00 19.49 N ATOM 1004 CA LYS A 114 -5.219 22.305 15.928 1.00 19.69 C ATOM 1005 C LYS A 114 -6.530 22.140 16.682 1.00 18.83 C ATOM 1006 O LYS A 114 -6.538 21.634 17.810 1.00 20.24 O ATOM 1007 CB LYS A 114 -4.514 23.596 16.360 1.00 21.68 C ATOM 1008 H LYS A 114 -5.173 23.137 13.915 1.00 0.00 H ATOM 1009 N ASP A 115 -7.645 22.549 16.073 1.00 18.69 N ATOM 1010 CA ASP A 115 -8.969 22.467 16.685 1.00 18.09 C ATOM 1011 C ASP A 115 -9.829 21.364 16.065 1.00 16.15 C ATOM 1012 O ASP A 115 -11.061 21.460 16.067 1.00 14.55 O ATOM 1013 CB ASP A 115 -9.677 23.824 16.588 1.00 19.23 C ATOM 1014 CG ASP A 115 -9.119 24.849 17.573 1.00 27.47 C ATOM 1015 OD1 ASP A 115 -8.909 24.489 18.749 1.00 30.03 O ATOM 1016 OD2 ASP A 115 -8.901 26.014 17.174 1.00 29.89 O ATOM 1017 H ASP A 115 -7.567 22.946 15.115 1.00 0.00 H ATOM 1018 N MET A 116 -9.194 20.307 15.538 1.00 12.33 N ATOM 1019 CA MET A 116 -9.885 19.160 14.967 1.00 14.00 C ATOM 1020 C MET A 116 -9.382 17.886 15.636 1.00 12.74 C ATOM 1021 O MET A 116 -8.393 17.893 16.376 1.00 12.71 O ATOM 1022 CB MET A 116 -9.682 19.084 13.442 1.00 13.48 C ATOM 1023 CG MET A 116 -10.260 20.292 12.706 1.00 14.67 C ATOM 1024 SD MET A 116 -9.679 20.532 11.008 1.00 15.54 S ATOM 1025 CE MET A 116 -10.482 19.163 10.157 1.00 16.16 C ATOM 1026 H MET A 116 -8.154 20.307 15.537 1.00 0.00 H ATOM 1027 N TRP A 117 -10.077 16.783 15.376 1.00 10.75 N ATOM 1028 CA TRP A 117 -9.576 15.495 15.819 1.00 10.72 C ATOM 1029 C TRP A 117 -8.164 15.293 15.277 1.00 11.24 C ATOM 1030 O TRP A 117 -7.898 15.625 14.120 1.00 12.04 O ATOM 1031 CB TRP A 117 -10.487 14.369 15.318 1.00 13.09 C ATOM 1032 CG TRP A 117 -11.752 14.194 16.125 1.00 12.57 C ATOM 1033 CD1 TRP A 117 -12.973 14.776 15.892 1.00 13.37 C ATOM 1034 CD2 TRP A 117 -11.917 13.359 17.272 1.00 12.77 C ATOM 1035 NE1 TRP A 117 -13.887 14.346 16.828 1.00 13.27 N ATOM 1036 CE2 TRP A 117 -13.258 13.488 17.696 1.00 14.24 C ATOM 1037 CE3 TRP A 117 -11.058 12.515 17.989 1.00 14.02 C ATOM 1038 CZ2 TRP A 117 -13.760 12.797 18.800 1.00 17.65 C ATOM 1039 CZ3 TRP A 117 -11.560 11.826 19.081 1.00 15.01 C ATOM 1040 CH2 TRP A 117 -12.892 11.985 19.488 1.00 17.92 C ATOM 1041 HE1 TRP A 117 -14.888 14.625 16.870 1.00 0.00 H ATOM 1042 H TRP A 117 -10.976 16.843 14.857 1.00 0.00 H ATOM 1043 N PRO A 118 -7.235 14.759 16.077 1.00 13.90 N ATOM 1044 CA PRO A 118 -5.840 14.673 15.614 1.00 12.35 C ATOM 1045 C PRO A 118 -5.645 13.818 14.371 1.00 11.29 C ATOM 1046 O PRO A 118 -4.687 14.052 13.620 1.00 11.61 O ATOM 1047 CB PRO A 118 -5.097 14.080 16.825 1.00 17.15 C ATOM 1048 CG PRO A 118 -6.131 13.512 17.711 1.00 17.92 C ATOM 1049 CD PRO A 118 -7.391 14.322 17.475 1.00 16.96 C ATOM 1050 N ASP A 119 -6.499 12.811 14.149 1.00 11.65 N ATOM 1051 CA ASP A 119 -6.360 11.974 12.964 1.00 11.20 C ATOM 1052 C ASP A 119 -6.596 12.757 11.675 1.00 11.09 C ATOM 1053 O ASP A 119 -6.099 12.355 10.621 1.00 11.38 O ATOM 1054 CB ASP A 119 -7.324 10.780 13.033 1.00 13.03 C ATOM 1055 CG ASP A 119 -8.750 11.202 13.283 1.00 13.31 C ATOM 1056 OD1 ASP A 119 -9.074 11.519 14.452 1.00 12.02 O ATOM 1057 OD2 ASP A 119 -9.544 11.227 12.318 1.00 13.72 O ATOM 1058 H ASP A 119 -7.266 12.625 14.826 1.00 0.00 H ATOM 1059 N ASP A 120 -7.329 13.873 11.735 1.00 10.12 N ATOM 1060 CA ASP A 120 -7.656 14.586 10.503 1.00 10.88 C ATOM 1061 C ASP A 120 -6.405 15.112 9.813 1.00 11.70 C ATOM 1062 O ASP A 120 -6.375 15.213 8.578 1.00 14.02 O ATOM 1063 CB ASP A 120 -8.621 15.742 10.800 1.00 11.88 C ATOM 1064 CG ASP A 120 -9.967 15.264 11.315 1.00 20.18 C ATOM 1065 OD1 ASP A 120 -10.066 14.096 11.732 1.00 23.99 O ATOM 1066 OD2 ASP A 120 -10.915 16.070 11.350 1.00 23.42 O ATOM 1067 H ASP A 120 -7.664 14.231 12.652 1.00 0.00 H ATOM 1068 N SER A 121 -5.363 15.448 10.584 1.00 11.19 N ATOM 1069 CA SER A 121 -4.104 15.895 9.985 1.00 16.15 C ATOM 1070 C SER A 121 -3.502 14.833 9.067 1.00 15.66 C ATOM 1071 O SER A 121 -2.747 15.166 8.141 1.00 16.49 O ATOM 1072 CB SER A 121 -3.111 16.277 11.089 1.00 18.31 C ATOM 1073 OG SER A 121 -3.622 17.375 11.839 1.00 23.23 O ATOM 1074 HG SER A 121 -2.977 17.617 12.550 1.00 0.00 H ATOM 1075 H SER A 121 -5.449 15.391 11.619 1.00 0.00 H ATOM 1076 N TYR A 122 -3.828 13.559 9.302 1.00 13.06 N ATOM 1077 CA TYR A 122 -3.303 12.481 8.469 1.00 14.30 C ATOM 1078 C TYR A 122 -4.102 12.299 7.183 1.00 14.56 C ATOM 1079 O TYR A 122 -3.519 12.151 6.105 1.00 15.77 O ATOM 1080 CB TYR A 122 -3.273 11.166 9.250 1.00 13.44 C ATOM 1081 CG TYR A 122 -2.240 11.185 10.345 1.00 19.19 C ATOM 1082 CD1 TYR A 122 -2.578 11.528 11.642 1.00 21.61 C ATOM 1083 CD2 TYR A 122 -0.904 10.944 10.051 1.00 27.73 C ATOM 1084 CE1 TYR A 122 -1.614 11.569 12.638 1.00 26.80 C ATOM 1085 CE2 TYR A 122 0.062 10.990 11.026 1.00 32.57 C ATOM 1086 CZ TYR A 122 -0.299 11.302 12.315 1.00 32.44 C ATOM 1087 OH TYR A 122 0.683 11.340 13.273 1.00 35.43 O ATOM 1088 HH TYR A 122 1.358 12.020 13.025 1.00 0.00 H ATOM 1089 H TYR A 122 -4.466 13.331 10.091 1.00 0.00 H ATOM 1090 N TRP A 123 -5.431 12.266 7.264 1.00 10.94 N ATOM 1091 CA TRP A 123 -6.176 11.902 6.064 1.00 10.81 C ATOM 1092 C TRP A 123 -6.806 13.082 5.329 1.00 18.33 C ATOM 1093 O TRP A 123 -7.155 12.936 4.154 1.00 11.13 O ATOM 1094 CB TRP A 123 -7.256 10.860 6.387 1.00 10.89 C ATOM 1095 CG TRP A 123 -8.233 11.245 7.470 1.00 11.94 C ATOM 1096 CD1 TRP A 123 -8.141 10.945 8.798 1.00 10.10 C ATOM 1097 CD2 TRP A 123 -9.464 11.950 7.301 1.00 12.15 C ATOM 1098 NE1 TRP A 123 -9.239 11.428 9.468 1.00 11.00 N ATOM 1099 CE2 TRP A 123 -10.064 12.053 8.572 1.00 13.44 C ATOM 1100 CE3 TRP A 123 -10.114 12.512 6.195 1.00 10.11 C ATOM 1101 CZ2 TRP A 123 -11.283 12.709 8.779 1.00 13.10 C ATOM 1102 CZ3 TRP A 123 -11.336 13.155 6.401 1.00 13.71 C ATOM 1103 CH2 TRP A 123 -11.900 13.248 7.685 1.00 14.00 C ATOM 1104 HE1 TRP A 123 -9.415 11.334 10.489 1.00 0.00 H ATOM 1105 H TRP A 123 -5.921 12.492 8.153 1.00 0.00 H ATOM 1106 N PHE A 124 -6.962 14.245 5.959 1.00 15.70 N ATOM 1107 CA PHE A 124 -7.451 15.393 5.197 1.00 20.52 C ATOM 1108 C PHE A 124 -6.606 15.741 3.983 1.00 23.31 C ATOM 1109 O PHE A 124 -7.197 16.050 2.931 1.00 25.05 O ATOM 1110 CB PHE A 124 -7.575 16.611 6.110 1.00 24.98 C ATOM 1111 CG PHE A 124 -8.969 16.958 6.423 1.00 25.60 C ATOM 1112 CD1 PHE A 124 -9.683 16.197 7.319 1.00 29.15 C ATOM 1113 CD2 PHE A 124 -9.577 18.049 5.825 1.00 29.15 C ATOM 1114 CE1 PHE A 124 -10.975 16.502 7.618 1.00 29.18 C ATOM 1115 CE2 PHE A 124 -10.895 18.364 6.128 1.00 29.74 C ATOM 1116 CZ PHE A 124 -11.587 17.579 7.025 1.00 29.73 C ATOM 1117 H PHE A 124 -6.741 14.335 6.971 1.00 0.00 H ATOM 1118 N PRO A 125 -5.268 15.745 4.038 1.00 22.66 N ATOM 1119 CA PRO A 125 -4.499 15.997 2.811 1.00 22.74 C ATOM 1120 C PRO A 125 -4.868 15.072 1.660 1.00 21.93 C ATOM 1121 O PRO A 125 -4.871 15.509 0.504 1.00 22.07 O ATOM 1122 CB PRO A 125 -3.049 15.798 3.271 1.00 22.97 C ATOM 1123 CG PRO A 125 -3.076 16.209 4.716 1.00 24.47 C ATOM 1124 CD PRO A 125 -4.394 15.706 5.230 1.00 24.06 C ATOM 1125 N LEU A 126 -5.192 13.808 1.948 1.00 16.50 N ATOM 1126 CA LEU A 126 -5.647 12.901 0.899 1.00 16.02 C ATOM 1127 C LEU A 126 -7.000 13.332 0.346 1.00 13.17 C ATOM 1128 O LEU A 126 -7.193 13.387 -0.874 1.00 14.99 O ATOM 1129 CB LEU A 126 -5.729 11.471 1.434 1.00 16.18 C ATOM 1130 CG LEU A 126 -4.465 10.939 2.096 1.00 19.82 C ATOM 1131 CD1 LEU A 126 -4.715 9.557 2.668 1.00 19.85 C ATOM 1132 CD2 LEU A 126 -3.325 10.919 1.093 1.00 23.88 C ATOM 1133 H LEU A 126 -5.119 13.468 2.928 1.00 0.00 H ATOM 1134 N LEU A 127 -7.950 13.632 1.233 1.00 13.18 N ATOM 1135 CA LEU A 127 -9.263 14.078 0.785 1.00 15.80 C ATOM 1136 C LEU A 127 -9.139 15.324 -0.088 1.00 16.30 C ATOM 1137 O LEU A 127 -9.805 15.437 -1.124 1.00 18.04 O ATOM 1138 CB LEU A 127 -10.158 14.325 2.009 1.00 17.66 C ATOM 1139 CG LEU A 127 -11.627 14.724 1.823 1.00 21.24 C ATOM 1140 CD1 LEU A 127 -12.533 13.874 2.691 1.00 21.73 C ATOM 1141 CD2 LEU A 127 -11.799 16.182 2.197 1.00 23.78 C ATOM 1142 H LEU A 127 -7.752 13.547 2.251 1.00 0.00 H ATOM 1143 N LEU A 128 -8.246 16.247 0.288 1.00 16.35 N ATOM 1144 CA LEU A 128 -8.078 17.491 -0.461 1.00 18.75 C ATOM 1145 C LEU A 128 -7.521 17.246 -1.853 1.00 21.22 C ATOM 1146 O LEU A 128 -7.812 18.013 -2.784 1.00 24.22 O ATOM 1147 CB LEU A 128 -7.152 18.441 0.297 1.00 21.83 C ATOM 1148 CG LEU A 128 -7.727 18.982 1.609 1.00 22.52 C ATOM 1149 CD1 LEU A 128 -6.736 19.947 2.236 1.00 24.48 C ATOM 1150 CD2 LEU A 128 -9.072 19.644 1.368 1.00 21.57 C ATOM 1151 H LEU A 128 -7.660 16.076 1.130 1.00 0.00 H ATOM 1152 N GLN A 129 -6.696 16.214 -2.014 1.00 18.36 N ATOM 1153 CA GLN A 129 -6.120 15.895 -3.308 1.00 19.08 C ATOM 1154 C GLN A 129 -6.938 14.855 -4.061 1.00 16.87 C ATOM 1155 O GLN A 129 -6.448 14.289 -5.042 1.00 19.53 O ATOM 1156 CB GLN A 129 -4.662 15.453 -3.136 1.00 22.83 C ATOM 1157 CG GLN A 129 -3.770 16.647 -2.736 1.00 26.99 C ATOM 1158 CD GLN A 129 -2.303 16.307 -2.598 1.00 31.79 C ATOM 1159 OE1 GLN A 129 -1.927 15.138 -2.493 1.00 33.13 O ATOM 1160 NE2 GLN A 129 -1.457 17.340 -2.599 1.00 33.06 N ATOM 1161 HE22 GLN A 129 -1.821 18.310 -2.690 1.00 0.00 H ATOM 1162 HE21 GLN A 129 -0.434 17.175 -2.509 1.00 0.00 H ATOM 1163 H GLN A 129 -6.458 15.622 -1.193 1.00 0.00 H ATOM 1164 N LYS A 130 -8.184 14.622 -3.631 1.00 15.98 N ATOM 1165 CA LYS A 130 -9.137 13.747 -4.313 1.00 20.75 C ATOM 1166 C LYS A 130 -8.682 12.291 -4.318 1.00 21.55 C ATOM 1167 O LYS A 130 -8.972 11.540 -5.254 1.00 20.52 O ATOM 1168 CB LYS A 130 -9.416 14.231 -5.741 1.00 23.70 C ATOM 1169 CG LYS A 130 -10.064 15.613 -5.797 1.00 26.48 C ATOM 1170 H LYS A 130 -8.494 15.093 -2.757 1.00 0.00 H ATOM 1171 N LYS A 131 -7.972 11.877 -3.275 1.00 17.92 N ATOM 1172 CA LYS A 131 -7.551 10.494 -3.124 1.00 19.25 C ATOM 1173 C LYS A 131 -8.556 9.764 -2.238 1.00 19.46 C ATOM 1174 O LYS A 131 -9.250 10.379 -1.426 1.00 21.12 O ATOM 1175 CB LYS A 131 -6.148 10.408 -2.517 1.00 25.44 C ATOM 1176 CG LYS A 131 -5.056 11.043 -3.365 1.00 27.82 C ATOM 1177 CD LYS A 131 -5.055 10.433 -4.752 1.00 31.78 C ATOM 1178 CE LYS A 131 -3.761 10.717 -5.490 1.00 37.22 C ATOM 1179 H LYS A 131 -7.708 12.565 -2.541 1.00 0.00 H ATOM 1180 N LYS A 132 -8.655 8.452 -2.421 1.00 16.64 N ATOM 1181 CA LYS A 132 -9.533 7.620 -1.604 1.00 16.00 C ATOM 1182 C LYS A 132 -8.683 6.813 -0.633 1.00 13.70 C ATOM 1183 O LYS A 132 -7.526 6.506 -0.925 1.00 15.46 O ATOM 1184 CB LYS A 132 -10.388 6.697 -2.482 1.00 18.44 C ATOM 1185 CG LYS A 132 -11.423 7.451 -3.336 1.00 17.99 C ATOM 1186 CD LYS A 132 -12.160 6.522 -4.298 1.00 23.95 C ATOM 1187 H LYS A 132 -8.089 8.004 -3.170 1.00 0.00 H ATOM 1188 N PHE A 133 -9.243 6.462 0.533 1.00 12.92 N ATOM 1189 CA PHE A 133 -8.377 5.889 1.558 1.00 12.64 C ATOM 1190 C PHE A 133 -9.129 4.938 2.478 1.00 12.32 C ATOM 1191 O PHE A 133 -10.350 5.013 2.621 1.00 12.08 O ATOM 1192 CB PHE A 133 -7.709 6.989 2.400 1.00 15.51 C ATOM 1193 CG PHE A 133 -8.684 7.977 2.963 1.00 14.81 C ATOM 1194 CD1 PHE A 133 -9.012 9.121 2.262 1.00 19.40 C ATOM 1195 CD2 PHE A 133 -9.305 7.743 4.182 1.00 14.47 C ATOM 1196 CE1 PHE A 133 -9.928 10.023 2.772 1.00 18.91 C ATOM 1197 CE2 PHE A 133 -10.221 8.640 4.685 1.00 15.82 C ATOM 1198 CZ PHE A 133 -10.532 9.777 3.983 1.00 17.31 C ATOM 1199 H PHE A 133 -10.261 6.594 0.702 1.00 0.00 H ATOM 1200 N HIS A 134 -8.370 4.010 3.058 1.00 12.51 N ATOM 1201 CA HIS A 134 -8.800 3.173 4.170 1.00 12.30 C ATOM 1202 C HIS A 134 -7.892 3.489 5.351 1.00 14.99 C ATOM 1203 O HIS A 134 -6.664 3.432 5.221 1.00 12.30 O ATOM 1204 CB HIS A 134 -8.715 1.676 3.824 1.00 13.15 C ATOM 1205 CG HIS A 134 -9.831 1.181 2.952 1.00 17.03 C ATOM 1206 ND1 HIS A 134 -9.893 -0.123 2.502 1.00 18.16 N ATOM 1207 CD2 HIS A 134 -10.915 1.809 2.435 1.00 15.73 C ATOM 1208 CE1 HIS A 134 -10.972 -0.279 1.754 1.00 18.91 C ATOM 1209 NE2 HIS A 134 -11.609 0.877 1.694 1.00 17.44 N ATOM 1210 H HIS A 134 -7.406 3.874 2.693 1.00 0.00 H ATOM 1211 N GLY A 135 -8.478 3.806 6.510 1.00 12.28 N ATOM 1212 CA GLY A 135 -7.686 4.157 7.669 1.00 13.79 C ATOM 1213 C GLY A 135 -8.145 3.421 8.915 1.00 15.74 C ATOM 1214 O GLY A 135 -9.259 2.920 8.989 1.00 12.43 O ATOM 1215 H GLY A 135 -9.516 3.800 6.579 1.00 0.00 H ATOM 1216 N TYR A 136 -7.238 3.359 9.894 1.00 11.40 N ATOM 1217 CA TYR A 136 -7.514 2.780 11.205 1.00 11.62 C ATOM 1218 C TYR A 136 -6.715 3.572 12.222 1.00 13.19 C ATOM 1219 O TYR A 136 -5.505 3.737 12.050 1.00 12.72 O ATOM 1220 CB TYR A 136 -7.111 1.295 11.272 1.00 14.38 C ATOM 1221 CG TYR A 136 -6.966 0.795 12.698 1.00 20.89 C ATOM 1222 CD1 TYR A 136 -8.068 0.396 13.418 1.00 22.99 C ATOM 1223 CD2 TYR A 136 -5.723 0.740 13.317 1.00 25.77 C ATOM 1224 CE1 TYR A 136 -7.949 -0.042 14.734 1.00 25.78 C ATOM 1225 CE2 TYR A 136 -5.591 0.300 14.621 1.00 27.74 C ATOM 1226 CZ TYR A 136 -6.707 -0.096 15.318 1.00 28.10 C ATOM 1227 OH TYR A 136 -6.578 -0.536 16.611 1.00 32.17 O ATOM 1228 HH TYR A 136 -7.469 -0.781 16.966 1.00 0.00 H ATOM 1229 H TYR A 136 -6.288 3.742 9.713 1.00 0.00 H ATOM 1230 N PHE A 137 -7.378 4.073 13.263 1.00 11.41 N ATOM 1231 CA PHE A 137 -6.708 4.862 14.292 1.00 11.57 C ATOM 1232 C PHE A 137 -7.105 4.326 15.655 1.00 12.07 C ATOM 1233 O PHE A 137 -8.295 4.199 15.946 1.00 11.96 O ATOM 1234 CB PHE A 137 -7.072 6.346 14.190 1.00 11.02 C ATOM 1235 CG PHE A 137 -6.565 7.003 12.939 1.00 12.37 C ATOM 1236 CD1 PHE A 137 -7.280 6.912 11.756 1.00 12.15 C ATOM 1237 CD2 PHE A 137 -5.352 7.690 12.945 1.00 13.35 C ATOM 1238 CE1 PHE A 137 -6.803 7.505 10.600 1.00 13.31 C ATOM 1239 CE2 PHE A 137 -4.868 8.286 11.790 1.00 13.73 C ATOM 1240 CZ PHE A 137 -5.593 8.199 10.620 1.00 12.27 C ATOM 1241 H PHE A 137 -8.400 3.897 13.345 1.00 0.00 H ATOM 1242 N LYS A 138 -6.107 4.022 16.481 1.00 12.77 N ATOM 1243 CA LYS A 138 -6.313 3.564 17.848 1.00 13.50 C ATOM 1244 C LYS A 138 -6.044 4.736 18.771 1.00 13.67 C ATOM 1245 O LYS A 138 -4.935 5.272 18.774 1.00 13.91 O ATOM 1246 CB LYS A 138 -5.362 2.422 18.196 1.00 16.47 C ATOM 1247 CG LYS A 138 -5.586 1.814 19.576 1.00 18.13 C ATOM 1248 CD LYS A 138 -4.511 0.763 19.850 1.00 20.95 C ATOM 1249 CE LYS A 138 -4.877 -0.587 19.245 1.00 29.56 C ATOM 1250 NZ LYS A 138 -3.757 -1.577 19.305 1.00 34.54 N ATOM 1251 HZ1 LYS A 138 -2.939 -1.206 18.780 1.00 0.00 H ATOM 1252 HZ2 LYS A 138 -3.490 -1.737 20.297 1.00 0.00 H ATOM 1253 HZ3 LYS A 138 -4.066 -2.474 18.879 1.00 0.00 H ATOM 1254 H LYS A 138 -5.131 4.116 16.133 1.00 0.00 H ATOM 1255 N PHE A 139 -7.040 5.111 19.559 1.00 13.72 N ATOM 1256 CA PHE A 139 -6.975 6.263 20.436 1.00 13.98 C ATOM 1257 C PHE A 139 -6.905 5.833 21.891 1.00 18.40 C ATOM 1258 O PHE A 139 -7.512 4.839 22.286 1.00 15.60 O ATOM 1259 CB PHE A 139 -8.229 7.131 20.273 1.00 13.67 C ATOM 1260 CG PHE A 139 -8.119 8.168 19.216 1.00 14.31 C ATOM 1261 CD1 PHE A 139 -8.393 7.853 17.904 1.00 15.39 C ATOM 1262 CD2 PHE A 139 -7.765 9.471 19.543 1.00 16.49 C ATOM 1263 CE1 PHE A 139 -8.314 8.810 16.917 1.00 11.20 C ATOM 1264 CE2 PHE A 139 -7.681 10.438 18.558 1.00 18.17 C ATOM 1265 CZ PHE A 139 -7.962 10.099 17.234 1.00 15.04 C ATOM 1266 H PHE A 139 -7.915 4.549 19.548 1.00 0.00 H ATOM 1267 N GLN A 140 -6.172 6.605 22.692 1.00 15.82 N ATOM 1268 CA GLN A 140 -6.267 6.546 24.146 1.00 20.59 C ATOM 1269 C GLN A 140 -6.879 7.872 24.582 1.00 21.30 C ATOM 1270 O GLN A 140 -6.257 8.928 24.432 1.00 21.19 O ATOM 1271 CB GLN A 140 -4.904 6.303 24.795 1.00 22.62 C ATOM 1272 CG GLN A 140 -4.966 5.994 26.293 1.00 25.77 C ATOM 1273 CD GLN A 140 -3.911 4.987 26.738 1.00 29.03 C ATOM 1274 OE1 GLN A 140 -4.229 3.850 27.089 1.00 30.49 O ATOM 1275 NE2 GLN A 140 -2.649 5.405 26.726 1.00 30.05 N ATOM 1276 HE22 GLN A 140 -2.425 6.374 26.422 1.00 0.00 H ATOM 1277 HE21 GLN A 140 -1.886 4.763 27.021 1.00 0.00 H ATOM 1278 H GLN A 140 -5.505 7.277 22.263 1.00 0.00 H ATOM 1279 N GLY A 141 -8.109 7.819 25.086 1.00 20.58 N ATOM 1280 CA GLY A 141 -8.807 9.051 25.339 1.00 20.73 C ATOM 1281 C GLY A 141 -9.127 9.694 24.001 1.00 22.85 C ATOM 1282 O GLY A 141 -9.168 9.042 22.953 1.00 24.11 O ATOM 1283 H GLY A 141 -8.558 6.904 25.293 1.00 0.00 H ATOM 1284 N GLN A 142 -9.316 11.006 24.027 1.00 15.60 N ATOM 1285 CA GLN A 142 -9.713 11.704 22.812 1.00 21.98 C ATOM 1286 C GLN A 142 -8.605 12.539 22.190 1.00 20.51 C ATOM 1287 O GLN A 142 -8.855 13.220 21.190 1.00 20.31 O ATOM 1288 CB GLN A 142 -10.925 12.591 23.097 1.00 27.99 C ATOM 1289 CG GLN A 142 -12.159 11.804 23.520 1.00 33.91 C ATOM 1290 CD GLN A 142 -13.423 12.604 23.343 1.00 39.48 C ATOM 1291 OE1 GLN A 142 -13.376 13.823 23.184 1.00 41.27 O ATOM 1292 NE2 GLN A 142 -14.565 11.925 23.361 1.00 43.27 N ATOM 1293 HE22 GLN A 142 -14.555 10.894 23.499 1.00 0.00 H ATOM 1294 HE21 GLN A 142 -15.469 12.424 23.237 1.00 0.00 H ATOM 1295 H GLN A 142 -9.181 11.535 24.912 1.00 0.00 H ATOM 1296 N ASP A 143 -7.380 12.490 22.721 1.00 17.96 N ATOM 1297 CA ASP A 143 -6.318 13.351 22.216 1.00 19.56 C ATOM 1298 C ASP A 143 -5.089 12.613 21.718 1.00 22.34 C ATOM 1299 O ASP A 143 -4.212 13.249 21.124 1.00 22.99 O ATOM 1300 CB ASP A 143 -5.856 14.334 23.307 1.00 24.60 C ATOM 1301 CG ASP A 143 -6.977 15.199 23.826 1.00 28.89 C ATOM 1302 OD1 ASP A 143 -8.011 15.334 23.134 1.00 28.17 O ATOM 1303 OD2 ASP A 143 -6.816 15.743 24.936 1.00 32.50 O ATOM 1304 H ASP A 143 -7.183 11.832 23.502 1.00 0.00 H ATOM 1305 N THR A 144 -4.958 11.320 21.989 1.00 15.32 N ATOM 1306 CA THR A 144 -3.702 10.612 21.766 1.00 17.26 C ATOM 1307 C THR A 144 -3.921 9.471 20.788 1.00 18.30 C ATOM 1308 O THR A 144 -4.726 8.576 21.061 1.00 16.21 O ATOM 1309 CB THR A 144 -3.162 10.065 23.087 1.00 19.47 C ATOM 1310 OG1 THR A 144 -2.931 11.152 23.989 1.00 21.88 O ATOM 1311 CG2 THR A 144 -1.856 9.285 22.860 1.00 17.67 C ATOM 1312 HG1 THR A 144 -2.271 11.774 23.592 1.00 0.00 H ATOM 1313 H THR A 144 -5.772 10.798 22.370 1.00 0.00 H ATOM 1314 N ILE A 145 -3.204 9.492 19.665 1.00 14.59 N ATOM 1315 CA ILE A 145 -3.193 8.361 18.741 1.00 14.13 C ATOM 1316 C ILE A 145 -2.078 7.411 19.168 1.00 15.10 C ATOM 1317 O ILE A 145 -0.899 7.785 19.180 1.00 15.80 O ATOM 1318 CB ILE A 145 -3.003 8.811 17.283 1.00 13.45 C ATOM 1319 CG1 ILE A 145 -4.171 9.696 16.819 1.00 16.46 C ATOM 1320 CG2 ILE A 145 -2.855 7.591 16.342 1.00 13.25 C ATOM 1321 CD1 ILE A 145 -3.899 10.410 15.471 1.00 15.31 C ATOM 1322 H ILE A 145 -2.638 10.335 19.441 1.00 0.00 H ATOM 1323 N LEU A 146 -2.449 6.185 19.533 1.00 15.31 N ATOM 1324 CA LEU A 146 -1.443 5.200 19.925 1.00 16.35 C ATOM 1325 C LEU A 146 -0.790 4.552 18.711 1.00 16.20 C ATOM 1326 O LEU A 146 0.420 4.298 18.711 1.00 17.07 O ATOM 1327 CB LEU A 146 -2.073 4.135 20.822 1.00 16.87 C ATOM 1328 CG LEU A 146 -2.702 4.669 22.109 1.00 17.32 C ATOM 1329 CD1 LEU A 146 -3.445 3.540 22.822 1.00 22.53 C ATOM 1330 CD2 LEU A 146 -1.627 5.232 23.029 1.00 21.61 C ATOM 1331 H LEU A 146 -3.457 5.928 19.539 1.00 0.00 H ATOM 1332 N ASP A 147 -1.574 4.258 17.685 1.00 15.27 N ATOM 1333 CA ASP A 147 -1.043 3.731 16.438 1.00 17.85 C ATOM 1334 C ASP A 147 -2.113 3.902 15.379 1.00 15.39 C ATOM 1335 O ASP A 147 -3.266 4.199 15.675 1.00 13.54 O ATOM 1336 CB ASP A 147 -0.608 2.270 16.551 1.00 25.98 C ATOM 1337 CG ASP A 147 -1.694 1.365 17.070 1.00 32.88 C ATOM 1338 OD1 ASP A 147 -2.570 0.963 16.274 1.00 36.63 O ATOM 1339 OD2 ASP A 147 -1.651 1.022 18.270 1.00 36.40 O ATOM 1340 H ASP A 147 -2.599 4.408 17.774 1.00 0.00 H ATOM 1341 N TYR A 148 -1.706 3.738 14.132 1.00 14.44 N ATOM 1342 CA TYR A 148 -2.659 3.946 13.054 1.00 13.21 C ATOM 1343 C TYR A 148 -2.128 3.273 11.807 1.00 16.22 C ATOM 1344 O TYR A 148 -0.934 2.973 11.706 1.00 16.68 O ATOM 1345 CB TYR A 148 -2.887 5.437 12.798 1.00 14.48 C ATOM 1346 CG TYR A 148 -1.786 6.071 11.973 1.00 15.10 C ATOM 1347 CD1 TYR A 148 -0.581 6.427 12.551 1.00 19.25 C ATOM 1348 CD2 TYR A 148 -1.958 6.312 10.618 1.00 14.84 C ATOM 1349 CE1 TYR A 148 0.438 6.994 11.794 1.00 23.11 C ATOM 1350 CE2 TYR A 148 -0.954 6.883 9.857 1.00 18.61 C ATOM 1351 CZ TYR A 148 0.241 7.221 10.453 1.00 22.74 C ATOM 1352 OH TYR A 148 1.243 7.786 9.706 1.00 24.82 O ATOM 1353 HH TYR A 148 2.025 7.964 10.286 1.00 0.00 H ATOM 1354 H TYR A 148 -0.724 3.466 13.926 1.00 0.00 H ATOM 1355 N THR A 149 -3.027 3.060 10.849 1.00 13.07 N ATOM 1356 CA THR A 149 -2.640 2.713 9.490 1.00 16.63 C ATOM 1357 C THR A 149 -3.482 3.548 8.545 1.00 16.23 C ATOM 1358 O THR A 149 -4.628 3.886 8.847 1.00 14.62 O ATOM 1359 CB THR A 149 -2.826 1.224 9.162 1.00 21.23 C ATOM 1360 OG1 THR A 149 -4.214 0.877 9.240 1.00 24.54 O ATOM 1361 CG2 THR A 149 -2.028 0.355 10.121 1.00 22.08 C ATOM 1362 HG1 THR A 149 -4.726 1.421 8.591 1.00 0.00 H ATOM 1363 H THR A 149 -4.038 3.144 11.079 1.00 0.00 H ATOM 1364 N LEU A 150 -2.907 3.901 7.404 1.00 14.45 N ATOM 1365 CA LEU A 150 -3.662 4.695 6.443 1.00 12.66 C ATOM 1366 C LEU A 150 -3.101 4.399 5.065 1.00 16.88 C ATOM 1367 O LEU A 150 -1.902 4.572 4.832 1.00 18.68 O ATOM 1368 CB LEU A 150 -3.580 6.183 6.775 1.00 16.93 C ATOM 1369 CG LEU A 150 -4.345 7.170 5.892 1.00 17.70 C ATOM 1370 CD1 LEU A 150 -5.840 6.911 5.950 1.00 14.89 C ATOM 1371 CD2 LEU A 150 -4.031 8.611 6.326 1.00 19.63 C ATOM 1372 H LEU A 150 -1.929 3.615 7.197 1.00 0.00 H ATOM 1373 N ARG A 151 -3.948 3.915 4.168 1.00 13.49 N ATOM 1374 CA ARG A 151 -3.463 3.573 2.844 1.00 16.36 C ATOM 1375 C ARG A 151 -4.441 4.063 1.794 1.00 17.86 C ATOM 1376 O ARG A 151 -5.658 3.972 1.971 1.00 17.89 O ATOM 1377 CB ARG A 151 -3.247 2.072 2.711 1.00 19.73 C ATOM 1378 CG ARG A 151 -4.484 1.251 2.982 1.00 21.33 C ATOM 1379 H ARG A 151 -4.950 3.782 4.411 1.00 0.00 H ATOM 1380 N GLU A 152 -3.898 4.589 0.702 1.00 18.00 N ATOM 1381 CA GLU A 152 -4.747 4.981 -0.406 1.00 17.28 C ATOM 1382 C GLU A 152 -5.269 3.744 -1.119 1.00 17.81 C ATOM 1383 O GLU A 152 -4.621 2.695 -1.155 1.00 16.98 O ATOM 1384 CB GLU A 152 -3.977 5.876 -1.371 1.00 23.04 C ATOM 1385 CG GLU A 152 -3.714 7.239 -0.783 1.00 27.50 C ATOM 1386 CD GLU A 152 -2.871 8.099 -1.685 1.00 33.75 C ATOM 1387 OE1 GLU A 152 -2.915 7.886 -2.915 1.00 32.00 O ATOM 1388 OE2 GLU A 152 -2.158 8.981 -1.160 1.00 39.02 O ATOM 1389 H GLU A 152 -2.868 4.719 0.642 1.00 0.00 H ATOM 1390 N VAL A 153 -6.469 3.864 -1.684 1.00 15.92 N ATOM 1391 CA VAL A 153 -7.119 2.749 -2.364 1.00 17.46 C ATOM 1392 C VAL A 153 -7.806 3.291 -3.604 1.00 20.41 C ATOM 1393 O VAL A 153 -8.079 4.488 -3.711 1.00 18.70 O ATOM 1394 CB VAL A 153 -8.148 2.031 -1.459 1.00 18.38 C ATOM 1395 CG1 VAL A 153 -7.449 1.394 -0.250 1.00 18.12 C ATOM 1396 CG2 VAL A 153 -9.234 3.006 -1.016 1.00 15.17 C ATOM 1397 H VAL A 153 -6.958 4.781 -1.639 1.00 0.00 H ATOM 1398 N ASP A 154 -8.078 2.394 -4.553 1.00 20.65 N ATOM 1399 CA ASP A 154 -8.844 2.771 -5.736 1.00 24.33 C ATOM 1400 C ASP A 154 -10.345 2.657 -5.529 1.00 25.46 C ATOM 1401 O ASP A 154 -11.107 3.374 -6.187 1.00 25.66 O ATOM 1402 CB ASP A 154 -8.446 1.904 -6.931 1.00 27.68 C ATOM 1403 CG ASP A 154 -7.014 2.133 -7.367 1.00 31.05 C ATOM 1404 OD1 ASP A 154 -6.575 3.306 -7.405 1.00 33.07 O ATOM 1405 OD2 ASP A 154 -6.328 1.131 -7.661 1.00 30.98 O ATOM 1406 H ASP A 154 -7.741 1.416 -4.449 1.00 0.00 H ATOM 1407 N THR A 155 -10.784 1.777 -4.632 1.00 24.65 N ATOM 1408 CA THR A 155 -12.199 1.550 -4.363 1.00 24.48 C ATOM 1409 C THR A 155 -12.410 1.606 -2.862 1.00 20.60 C ATOM 1410 O THR A 155 -11.742 0.881 -2.125 1.00 21.02 O ATOM 1411 CB THR A 155 -12.648 0.184 -4.903 1.00 28.69 C ATOM 1412 OG1 THR A 155 -12.101 -0.006 -6.213 1.00 35.21 O ATOM 1413 CG2 THR A 155 -14.161 0.111 -4.980 1.00 32.36 C ATOM 1414 HG1 THR A 155 -12.388 -0.886 -6.565 1.00 0.00 H ATOM 1415 H THR A 155 -10.084 1.225 -4.097 1.00 0.00 H ATOM 1416 N VAL A 156 -13.327 2.456 -2.407 1.00 20.21 N ATOM 1417 CA VAL A 156 -13.562 2.563 -0.971 1.00 20.14 C ATOM 1418 C VAL A 156 -14.288 1.324 -0.483 1.00 26.00 C ATOM 1419 O VAL A 156 -15.225 0.860 -1.141 1.00 25.45 O ATOM 1420 CB VAL A 156 -14.350 3.833 -0.613 1.00 21.44 C ATOM 1421 CG1 VAL A 156 -14.543 3.920 0.885 1.00 21.46 C ATOM 1422 CG2 VAL A 156 -13.620 5.060 -1.124 1.00 20.58 C ATOM 1423 OXT VAL A 156 -13.958 0.774 0.581 1.00 27.48 O ATOM 1424 H VAL A 156 -13.873 3.041 -3.071 1.00 0.00 H TER 1425 VAL A 156 HETATM 1426 O HOH 1 -27.029 23.113 24.108 1.00 35.48 O HETATM 1427 O HOH 2 -32.662 7.835 5.513 1.00 41.95 O HETATM 1428 O HOH 3 -31.821 3.924 2.582 1.00 36.49 O HETATM 1429 O HOH 4 -19.902 3.274 18.529 1.00 32.56 O HETATM 1430 O HOH 5 -18.232 19.742 -6.628 1.00 46.14 O HETATM 1431 O HOH 6 -11.877 -2.229 -7.048 1.00 33.99 O HETATM 1432 O HOH 7 -22.930 30.929 12.709 1.00 30.68 O HETATM 1433 O HOH 8 -5.984 11.292 24.997 1.00 24.02 O HETATM 1434 O HOH 9 -1.120 12.812 23.928 1.00 36.38 O HETATM 1435 O HOH 10 -16.257 31.309 1.931 1.00 32.86 O HETATM 1436 O HOH 11 -29.323 19.346 -4.136 1.00 51.30 O HETATM 1437 O HOH 12 -14.260 27.320 -3.759 1.00 33.54 O HETATM 1438 O HOH 13 -1.737 18.955 12.652 1.00 48.95 O HETATM 1439 O HOH 14 -9.024 20.303 -2.603 1.00 35.49 O HETATM 1440 O HOH 15 -31.575 22.420 2.490 1.00 30.42 O HETATM 1441 O HOH 16 -28.605 4.365 -1.147 1.00 41.88 O HETATM 1442 O HOH 17 -9.791 5.218 25.588 1.00 25.03 O HETATM 1443 O HOH 18 -4.003 24.671 8.196 1.00 29.74 O HETATM 1444 O HOH 19 -4.469 6.917 -4.829 1.00 31.43 O HETATM 1445 O HOH 20 -12.141 14.383 -1.810 1.00 37.11 O HETATM 1446 O HOH 21 -12.299 16.828 13.487 1.00 13.00 O HETATM 1447 O HOH 22 -34.344 13.573 9.371 1.00 45.83 O HETATM 1448 O HOH 23 -27.004 28.228 21.535 1.00 68.00 O HETATM 1449 O HOH 24 -19.448 16.782 25.286 1.00 39.65 O HETATM 1450 O HOH 25 -8.521 28.861 10.185 1.00 32.10 O HETATM 1451 O HOH 26 -16.632 1.801 -3.227 1.00 42.49 O HETATM 1452 O HOH 27 -13.758 30.687 3.200 1.00 48.88 O HETATM 1453 O HOH 28 -10.119 27.274 15.129 1.00 24.68 O HETATM 1454 O HOH 29 -18.725 19.534 5.456 1.00 17.54 O HETATM 1455 O HOH 30 -7.265 6.923 -4.602 1.00 24.37 O HETATM 1456 O HOH 31 -2.293 15.005 14.501 1.00 23.84 O HETATM 1457 O HOH 32 -23.612 19.447 19.540 1.00 35.50 O HETATM 1458 O HOH 33 -18.968 3.749 2.011 1.00 37.08 O HETATM 1459 O HOH 34 -6.875 27.818 17.544 1.00 37.93 O HETATM 1460 O HOH 35 -16.181 6.308 -4.520 1.00 30.39 O HETATM 1461 O HOH 36 -13.454 1.250 20.430 1.00 15.87 O HETATM 1462 O HOH 37 -5.336 1.160 6.751 1.00 33.45 O HETATM 1463 O HOH 38 -21.806 30.527 -0.209 1.00 42.96 O HETATM 1464 O HOH 39 -11.248 12.050 -2.345 1.00 32.09 O HETATM 1465 O HOH 40 -5.332 -1.602 9.730 1.00 35.81 O HETATM 1466 O HOH 41 -25.641 8.329 8.984 1.00 31.02 O HETATM 1467 O HOH 42 -25.145 2.769 13.255 1.00 26.35 O HETATM 1468 O HOH 43 -19.314 7.011 -4.433 1.00 37.66 O HETATM 1469 O HOH 44 -19.741 -1.687 10.767 1.00 34.86 O HETATM 1470 O HOH 45 -19.398 27.384 19.001 1.00 24.39 O HETATM 1471 O HOH 46 -6.057 17.623 13.226 1.00 16.70 O HETATM 1472 O HOH 47 -10.459 21.912 20.013 1.00 26.40 O HETATM 1473 O HOH 48 -10.227 0.808 7.361 1.00 43.63 O HETATM 1474 O HOH 49 -25.732 0.531 3.091 1.00 32.57 O HETATM 1475 O HOH 50 -32.648 2.804 13.597 1.00 38.94 O HETATM 1476 O HOH 51 -31.563 10.458 3.080 1.00 24.77 O HETATM 1477 O HOH 52 -25.713 9.860 15.500 1.00 35.23 O HETATM 1478 O HOH 53 -24.914 11.409 -5.831 1.00 40.75 O HETATM 1479 O HOH 54 -1.037 4.681 0.530 1.00 32.38 O HETATM 1480 O HOH 55 -11.237 -1.450 22.423 1.00 27.12 O HETATM 1481 O HOH 56 -11.303 21.350 -3.685 1.00 42.11 O HETATM 1482 O HOH 57 -22.100 5.237 -1.925 1.00 45.21 O HETATM 1483 O HOH 58 -4.561 24.804 13.289 1.00 37.12 O HETATM 1484 O HOH 59 -19.838 20.210 -3.382 1.00 37.47 O HETATM 1485 O HOH 60 -28.651 16.591 2.657 1.00 26.83 O HETATM 1486 O HOH 61 -18.171 1.164 23.010 1.00 23.65 O HETATM 1487 O HOH 62 -24.089 -0.295 12.813 1.00 21.13 O HETATM 1488 O HOH 63 -3.199 17.887 0.198 1.00 31.29 O HETATM 1489 O HOH 64 -9.023 -0.535 -4.312 1.00 30.91 O HETATM 1490 O HOH 65 -20.145 32.056 1.855 1.00 26.44 O HETATM 1491 O HOH 66 -1.596 10.606 26.545 1.00 38.55 O HETATM 1492 O HOH 67 -17.657 3.557 19.940 1.00 35.10 O HETATM 1493 O HOH 68 -13.312 16.583 9.640 1.00 36.33 O HETATM 1494 O HOH 69 -14.929 3.936 -4.396 1.00 27.06 O HETATM 1495 O HOH 70 -9.314 12.428 26.622 1.00 31.95 O HETATM 1496 O HOH 71 -16.626 17.587 16.253 1.00 30.91 O HETATM 1497 O HOH 72 -9.482 -2.078 24.337 1.00 34.36 O HETATM 1498 O HOH 73 -29.048 3.809 14.517 1.00 44.75 O HETATM 1499 O HOH 74 -20.376 22.432 -4.077 1.00 29.85 O HETATM 1500 O HOH 75 -9.083 19.784 20.263 1.00 42.19 O HETATM 1501 O HOH 76 -12.606 31.188 7.971 1.00 42.46 O HETATM 1502 O HOH 77 -1.320 17.825 7.935 1.00 43.92 O HETATM 1503 O HOH 78 1.394 2.829 21.174 1.00 30.00 O HETATM 1504 O HOH 79 -24.792 3.099 0.553 1.00 28.05 O HETATM 1505 O HOH 80 -19.905 15.322 13.305 1.00 45.06 O HETATM 1506 O HOH 81 -10.343 30.684 6.098 1.00 25.73 O HETATM 1507 O HOH 82 -5.925 17.191 19.725 1.00 46.11 O HETATM 1508 O HOH 83 -0.481 7.251 4.472 1.00 36.92 O HETATM 1509 O HOH 84 -17.276 27.933 -4.293 1.00 47.05 O HETATM 1510 O HOH 85 -5.237 29.258 2.003 1.00 50.57 O HETATM 1511 O HOH 86 -17.368 12.049 12.977 1.00 32.73 O HETATM 1512 O HOH 87 -17.407 5.901 1.902 1.00 40.85 O HETATM 1513 O HOH 88 -16.942 13.883 16.544 1.00 35.84 O HETATM 1514 O HOH 89 1.273 14.204 12.225 1.00 54.02 O HETATM 1515 O HOH 90 -8.339 32.184 5.260 1.00 48.44 O HETATM 1516 O HOH 91 -22.962 29.512 2.272 1.00 28.61 O HETATM 1517 O HOH 92 -25.493 31.791 12.413 1.00 56.62 O HETATM 1518 O HOH 93 -30.907 28.776 2.419 1.00 56.93 O HETATM 1519 O HOH 94 -0.914 11.624 19.449 1.00 28.58 O HETATM 1520 O HOH 95 -13.399 24.993 21.087 1.00 44.88 O HETATM 1521 O HOH 96 -10.741 25.999 20.839 1.00 38.72 O HETATM 1522 O HOH 97 0.266 3.697 7.470 1.00 26.84 O HETATM 1523 O HOH 98 1.180 4.987 14.628 1.00 60.55 O HETATM 1524 O HOH 99 -7.370 -2.008 2.022 1.00 39.66 O HETATM 1525 O HOH 100 0.000 0.000 12.480 1.00 56.48 O HETATM 1526 O HOH 101 -19.186 10.601 12.613 1.00 39.23 O HETATM 1527 O HOH 102 -8.643 5.711 -8.057 1.00 28.80 O HETATM 1528 O HOH 103 -6.727 21.078 -2.829 1.00 45.54 O HETATM 1529 O HOH 104 -12.185 10.823 -5.081 1.00 44.69 O HETATM 1530 O HOH 105 0.286 8.275 6.568 1.00 46.25 O HETATM 1531 O HOH 106 1.344 3.788 9.411 1.00 32.67 O HETATM 1532 O HOH 107 -18.010 24.153 21.704 1.00 48.27 O HETATM 1533 O HOH 108 -3.641 15.328 26.004 1.00 48.02 O HETATM 1534 O HOH 109 -27.402 28.963 18.714 1.00 34.78 O HETATM 1535 O HOH 110 -23.259 23.884 -5.821 1.00 52.49 O HETATM 1536 O HOH 111 -14.306 4.358 -7.235 1.00 49.34 O HETATM 1537 O HOH 112 -2.846 26.396 1.062 1.00 55.38 O HETATM 1538 O HOH 113 0.477 6.012 2.564 1.00 44.82 O HETATM 1539 O HOH 114 -8.473 27.776 -4.345 1.00 48.78 O HETATM 1540 O HOH 115 -22.816 27.141 -1.616 1.00 45.86 O HETATM 1541 O HOH 116 0.444 3.444 26.097 1.00 69.73 O HETATM 1542 O HOH 117 -27.938 27.230 -3.550 1.00 52.96 O HETATM 1543 O HOH 118 -8.468 8.120 -6.696 1.00 61.55 O HETATM 1544 O HOH 119 -0.799 2.976 -0.858 1.00 51.57 O HETATM 1545 O HOH 120 -6.234 9.793 28.167 1.00 37.09 O HETATM 1546 O HOH 121 -32.513 13.010 3.475 1.00 39.56 O HETATM 1547 O HOH 122 -6.570 7.372 28.921 1.00 64.61 O HETATM 1548 O HOH 123 -33.348 14.975 6.727 1.00 56.83 O HETATM 1549 O HOH 124 -11.534 19.771 22.797 1.00 48.13 O HETATM 1550 O HOH 125 -11.758 21.979 23.292 1.00 50.90 O HETATM 1551 O HOH 126 -4.125 20.081 -1.331 1.00 41.35 O HETATM 1552 O HOH 127 -21.182 29.282 20.265 1.00 30.97 O HETATM 1553 O HOH 128 0.277 12.363 21.590 1.00 36.46 O HETATM 1554 O HOH 129 -27.778 31.725 10.604 1.00 69.30 O HETATM 1555 O HOH 130 -21.856 3.806 0.535 1.00 37.46 O HETATM 1556 O HOH 131 -7.937 -0.579 6.982 1.00 43.27 O HETATM 1557 O HOH 132 -12.300 7.074 25.326 1.00 43.39 O HETATM 1558 O HOH 133 -4.364 -0.096 25.432 1.00 57.15 O HETATM 1559 O HOH 134 -28.345 18.409 19.642 1.00 58.88 O HETATM 1560 O HOH 135 -20.733 -7.314 13.347 1.00 48.96 O HETATM 1561 O HOH 136 -20.773 31.208 6.601 1.00 41.84 O HETATM 1562 O HOH 137 -20.629 0.353 23.741 1.00 40.62 O HETATM 1563 O HOH 138 -1.358 13.606 16.527 1.00 43.68 O HETATM 1564 O HOH 139 -4.858 -2.305 -10.380 1.00 67.69 O HETATM 1565 O HOH 140 -11.437 9.490 -8.634 1.00 48.76 O HETATM 1566 O HOH 141 3.710 13.934 15.803 1.00 58.46 O HETATM 1567 O HOH 142 -18.047 26.414 20.827 1.00 36.91 O HETATM 1568 O HOH 143 -16.504 0.626 -7.925 1.00 38.47 O HETATM 1569 O HOH 144 -24.499 -2.346 11.522 1.00 35.30 O HETATM 1570 O HOH 145 -5.107 -1.409 1.403 1.00 52.73 O HETATM 1571 O HOH 146 -12.014 27.825 -8.355 1.00 40.67 O HETATM 1572 O HOH 147 -17.560 -1.876 -4.948 1.00 52.69 O HETATM 1573 O HOH 148 -13.320 30.764 -5.480 1.00 39.52 O HETATM 1574 O HOH 149 -20.003 -2.383 27.724 1.00 37.38 O HETATM 1575 O HOH 150 -30.044 18.726 25.882 1.00 51.07 O HETATM 1576 O HOH 151 -4.891 22.022 -6.759 1.00 52.28 O HETATM 1577 O HOH 152 -2.477 -3.498 25.301 1.00 70.88 O HETATM 1578 O HOH 153 -6.583 31.038 -5.574 1.00 44.17 O HETATM 1579 O HOH 154 -30.203 33.157 21.628 1.00 69.90 O HETATM 1580 O HOH 155 -15.195 30.878 -10.169 1.00 49.39 O HETATM 1581 O HOH 156 -31.476 12.986 25.261 1.00 61.56 O HETATM 1582 O HOH 157 -31.571 36.034 22.221 1.00 69.71 O HETATM 1583 C02 BU A 8 -13.226 13.034 12.687 1.00 0.22 C HETATM 1584 N01 BU A 8 -13.214 13.961 11.642 1.00 -0.29 N HETATM 1585 H4 BU A 8 -14.099 14.355 11.293 1.00 0.19 H HETATM 1586 H5 BU A 8 -12.320 14.250 11.221 1.00 0.19 H HETATM 1587 N03 BU A 8 -14.365 12.576 13.347 1.00 -0.22 N HETATM 1588 C04 BU A 8 -13.853 11.683 14.304 1.00 0.10 C HETATM 1589 C05 BU A 8 -14.467 10.904 15.276 1.00 -0.03 C HETATM 1590 C06 BU A 8 -13.648 10.117 16.076 1.00 -0.05 C HETATM 1591 C07 BU A 8 -12.273 10.135 15.895 1.00 -0.01 C HETATM 1592 N08 BU A 8 -11.625 10.874 14.970 1.00 -0.31 N HETATM 1593 C09 BU A 8 -12.420 11.623 14.198 1.00 0.08 C HETATM 1594 N10 BU A 8 -12.101 12.492 13.177 1.00 -0.29 N HETATM 1595 H3 BU A 8 -11.674 9.508 16.546 1.00 0.07 H HETATM 1596 H2 BU A 8 -14.085 9.488 16.843 1.00 0.06 H HETATM 1597 H1 BU A 8 -15.543 10.910 15.405 1.00 0.07 H HETATM 1598 H6 BU A 8 -15.348 12.831 13.175 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1583 1584 1587 1594 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 CONECT 1587 1583 1588 1598 CONECT 1588 1587 1589 1593 CONECT 1589 1588 1590 1597 CONECT 1590 1589 1591 1596 CONECT 1591 1590 1592 1595 CONECT 1592 1591 1593 CONECT 1593 1588 1592 1594 CONECT 1594 1583 1593 CONECT 1595 1591 CONECT 1596 1590 CONECT 1597 1589 CONECT 1598 1587 MASTER 0 0 0 0 0 0 0 0 1597 1 20 12 END
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Structure:
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Pocket-Ligand
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Related entries of code: 6eq2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3whw
RCSB PDB
PDBbind
156aa, >3WHW_1|Chains... at 100%
4c9w
RCSB PDB
PDBbind
158aa, >4C9W_1|Chain... at 100%
4c9x
RCSB PDB
PDBbind
158aa, >4C9X_1|Chain... at 100%
4n1t
RCSB PDB
PDBbind
159aa, >4N1T_1|Chain... at 98%
4n1u
RCSB PDB
PDBbind
158aa, >4N1U_1|Chains... at 98%
5ans
RCSB PDB
PDBbind
175aa, >5ANS_1|Chain... at 93%
5ant
RCSB PDB
PDBbind
175aa, >5ANT_1|Chains... at 93%
5anu
RCSB PDB
PDBbind
158aa, >5ANU_1|Chain... at 100%
5anv
RCSB PDB
PDBbind
158aa, >5ANV_1|Chain... at 100%
5anw
RCSB PDB
PDBbind
158aa, >5ANW_1|Chain... at 100%
5fsl
RCSB PDB
PDBbind
156aa, >5FSL_1|Chain... at 100%
5fsm
RCSB PDB
PDBbind
156aa, >5FSM_1|Chain... at 100%
5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
5ngt
RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
5nhy
RCSB PDB
PDBbind
159aa, >5NHY_1|Chains... at 98%
6f1x
RCSB PDB
PDBbind
159aa, >6F1X_1|Chains... at 98%
6f20
RCSB PDB
PDBbind
159aa, >6F20_1|Chains... at 98%
6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6f23
RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6eq2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase
Ligand Name
BU8
EC.Number
E.C.3.6.1.55;3.6.1.56
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Eur.J.Med.Chem. Vol. 175: pp. 107-113
Ligand Properties
Formula
C
6
H
6
N
4
Molecular Weight
134.139
Exact Mass
134.059
No. of atoms
16
No. of bonds
17
Polar Surface Area
67.59
LOGP Value
0.40 (
Computed with XLOGP3
)
1.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
Nc1nc2c([nH]1)cccn2
InChI String
InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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