Browse entries in the PDBbind-CN Database
HEADER 6F1X_COMPLEX COMPND 6F1X_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 C A 9Q 35 ATOM 1 N ALA A 3 -2.498 -42.738 17.271 1.00 32.36 N ATOM 2 CA ALA A 3 -3.722 -41.962 17.598 1.00 33.31 C ATOM 3 C ALA A 3 -3.481 -40.456 17.450 1.00 31.40 C ATOM 4 O ALA A 3 -2.794 -39.858 18.261 1.00 25.33 O ATOM 5 CB ALA A 3 -4.154 -42.262 19.010 1.00 38.00 C ATOM 6 HN3 ALA A 3 -1.730 -42.460 17.915 1.00 0.00 H ATOM 7 HN2 ALA A 3 -2.217 -42.542 16.289 1.00 0.00 H ATOM 8 HN1 ALA A 3 -2.693 -43.754 17.381 1.00 0.00 H ATOM 9 N SER A 4 -4.015 -39.841 16.406 1.00 32.72 N ATOM 10 CA SER A 4 -3.732 -38.422 16.164 1.00 33.88 C ATOM 11 C SER A 4 -4.976 -37.618 15.818 1.00 32.95 C ATOM 12 O SER A 4 -5.927 -38.161 15.287 1.00 36.34 O ATOM 13 CB SER A 4 -2.673 -38.281 15.075 1.00 36.89 C ATOM 14 OG SER A 4 -3.143 -38.777 13.847 1.00 41.53 O ATOM 15 HG SER A 4 -2.438 -38.674 13.159 1.00 0.00 H ATOM 16 H SER A 4 -4.636 -40.365 15.757 1.00 0.00 H ATOM 17 N ARG A 5 -4.952 -36.323 16.125 1.00 27.90 N ATOM 18 CA ARG A 5 -6.083 -35.432 15.948 1.00 25.02 C ATOM 19 C ARG A 5 -5.753 -34.456 14.805 1.00 21.26 C ATOM 20 O ARG A 5 -4.675 -33.890 14.769 1.00 19.24 O ATOM 21 CB ARG A 5 -6.320 -34.665 17.263 1.00 27.27 C ATOM 22 CG ARG A 5 -7.441 -33.634 17.268 1.00 30.92 C ATOM 23 CD ARG A 5 -8.786 -34.305 17.306 1.00 33.39 C ATOM 24 NE ARG A 5 -9.949 -33.418 17.412 1.00 35.10 N ATOM 25 CZ ARG A 5 -10.514 -32.737 16.397 1.00 37.84 C ATOM 26 NH1 ARG A 5 -10.015 -32.726 15.133 1.00 32.37 N ATOM 27 NH2 ARG A 5 -11.614 -32.030 16.653 1.00 38.67 N ATOM 28 HE ARG A 5 -10.375 -33.305 18.354 1.00 0.00 H ATOM 29 HH12 ARG A 5 -10.495 -32.181 14.389 1.00 0.00 H ATOM 30 HH11 ARG A 5 -9.153 -33.263 14.910 1.00 0.00 H ATOM 31 HH22 ARG A 5 -12.076 -31.492 15.892 1.00 0.00 H ATOM 32 HH21 ARG A 5 -12.011 -32.016 17.614 1.00 0.00 H ATOM 33 H ARG A 5 -4.072 -35.927 16.514 1.00 0.00 H ATOM 34 N LEU A 6 -6.694 -34.301 13.888 1.00 18.98 N ATOM 35 CA LEU A 6 -6.567 -33.415 12.735 1.00 19.52 C ATOM 36 C LEU A 6 -6.698 -31.935 13.107 1.00 18.23 C ATOM 37 O LEU A 6 -7.639 -31.544 13.799 1.00 16.09 O ATOM 38 CB LEU A 6 -7.607 -33.746 11.692 1.00 21.08 C ATOM 39 CG LEU A 6 -7.328 -34.972 10.824 1.00 23.20 C ATOM 40 CD1 LEU A 6 -8.530 -35.243 9.937 1.00 24.82 C ATOM 41 CD2 LEU A 6 -6.086 -34.796 9.968 1.00 23.09 C ATOM 42 H LEU A 6 -7.576 -34.842 13.995 1.00 0.00 H ATOM 43 N TYR A 7 -5.710 -31.150 12.673 1.00 15.88 N ATOM 44 CA TYR A 7 -5.687 -29.726 12.789 1.00 16.54 C ATOM 45 C TYR A 7 -5.308 -29.098 11.466 1.00 16.03 C ATOM 46 O TYR A 7 -4.628 -29.719 10.671 1.00 17.15 O ATOM 47 CB TYR A 7 -4.614 -29.293 13.770 1.00 18.14 C ATOM 48 CG TYR A 7 -4.869 -29.561 15.222 1.00 18.33 C ATOM 49 CD1 TYR A 7 -4.634 -30.815 15.763 1.00 18.70 C ATOM 50 CD2 TYR A 7 -5.285 -28.543 16.073 1.00 20.23 C ATOM 51 CE1 TYR A 7 -4.825 -31.063 17.121 1.00 19.65 C ATOM 52 CE2 TYR A 7 -5.501 -28.784 17.441 1.00 20.25 C ATOM 53 CZ TYR A 7 -5.283 -30.051 17.952 1.00 20.20 C ATOM 54 OH TYR A 7 -5.447 -30.319 19.310 1.00 23.40 O ATOM 55 HH TYR A 7 -5.247 -31.273 19.483 1.00 0.00 H ATOM 56 H TYR A 7 -4.896 -31.609 12.216 1.00 0.00 H ATOM 57 N THR A 8 -5.711 -27.856 11.275 1.00 17.24 N ATOM 58 CA THR A 8 -5.258 -26.992 10.184 1.00 18.11 C ATOM 59 C THR A 8 -4.514 -25.740 10.628 1.00 18.26 C ATOM 60 O THR A 8 -4.696 -25.236 11.747 1.00 17.01 O ATOM 61 CB THR A 8 -6.434 -26.468 9.352 1.00 19.36 C ATOM 62 OG1 THR A 8 -7.328 -25.662 10.159 1.00 23.89 O ATOM 63 CG2 THR A 8 -7.170 -27.594 8.755 1.00 21.11 C ATOM 64 HG1 THR A 8 -7.685 -26.211 10.902 1.00 0.00 H ATOM 65 H THR A 8 -6.400 -27.463 11.948 1.00 0.00 H ATOM 66 N LEU A 9 -3.653 -25.245 9.744 1.00 17.40 N ATOM 67 CA LEU A 9 -2.954 -24.005 9.941 1.00 17.75 C ATOM 68 C LEU A 9 -2.851 -23.285 8.608 1.00 18.74 C ATOM 69 O LEU A 9 -2.438 -23.909 7.621 1.00 18.30 O ATOM 70 CB LEU A 9 -1.560 -24.302 10.454 1.00 18.71 C ATOM 71 CG LEU A 9 -0.760 -23.135 11.001 1.00 20.63 C ATOM 72 CD1 LEU A 9 -1.505 -22.419 12.148 1.00 20.89 C ATOM 73 CD2 LEU A 9 0.602 -23.664 11.461 1.00 20.75 C ATOM 74 H LEU A 9 -3.477 -25.780 8.870 1.00 0.00 H ATOM 75 N VAL A 10 -3.264 -22.024 8.567 1.00 18.05 N ATOM 76 CA VAL A 10 -3.271 -21.266 7.323 1.00 19.23 C ATOM 77 C VAL A 10 -2.373 -20.068 7.469 1.00 19.66 C ATOM 78 O VAL A 10 -2.502 -19.275 8.434 1.00 20.19 O ATOM 79 CB VAL A 10 -4.668 -20.797 6.970 1.00 18.98 C ATOM 80 CG1 VAL A 10 -4.635 -20.036 5.659 1.00 20.02 C ATOM 81 CG2 VAL A 10 -5.633 -21.971 6.897 1.00 20.07 C ATOM 82 H VAL A 10 -3.590 -21.567 9.443 1.00 0.00 H ATOM 83 N LEU A 11 -1.445 -19.939 6.528 1.00 20.81 N ATOM 84 CA LEU A 11 -0.588 -18.789 6.437 1.00 20.97 C ATOM 85 C LEU A 11 -1.008 -17.948 5.247 1.00 21.90 C ATOM 86 O LEU A 11 -0.976 -18.439 4.114 1.00 22.12 O ATOM 87 CB LEU A 11 0.875 -19.192 6.223 1.00 22.71 C ATOM 88 CG LEU A 11 1.694 -19.609 7.449 1.00 24.31 C ATOM 89 CD1 LEU A 11 1.630 -18.565 8.553 1.00 24.33 C ATOM 90 CD2 LEU A 11 1.253 -20.943 7.967 1.00 25.64 C ATOM 91 H LEU A 11 -1.334 -20.701 5.829 1.00 0.00 H ATOM 92 N VAL A 12 -1.319 -16.688 5.497 1.00 20.92 N ATOM 93 CA VAL A 12 -1.656 -15.718 4.438 1.00 23.31 C ATOM 94 C VAL A 12 -0.358 -15.035 4.038 1.00 23.02 C ATOM 95 O VAL A 12 0.128 -14.188 4.779 1.00 22.72 O ATOM 96 CB VAL A 12 -2.655 -14.653 4.925 1.00 24.16 C ATOM 97 CG1 VAL A 12 -3.028 -13.722 3.778 1.00 26.68 C ATOM 98 CG2 VAL A 12 -3.904 -15.299 5.507 1.00 24.03 C ATOM 99 H VAL A 12 -1.326 -16.366 6.486 1.00 0.00 H ATOM 100 N LEU A 13 0.198 -15.430 2.891 1.00 22.63 N ATOM 101 CA LEU A 13 1.567 -15.073 2.500 1.00 24.54 C ATOM 102 C LEU A 13 1.467 -14.341 1.177 1.00 25.90 C ATOM 103 O LEU A 13 1.129 -14.943 0.151 1.00 25.95 O ATOM 104 CB LEU A 13 2.448 -16.304 2.330 1.00 25.11 C ATOM 105 CG LEU A 13 3.886 -16.135 1.780 1.00 27.47 C ATOM 106 CD1 LEU A 13 4.694 -15.148 2.617 1.00 27.57 C ATOM 107 CD2 LEU A 13 4.642 -17.456 1.704 1.00 28.51 C ATOM 108 H LEU A 13 -0.365 -16.018 2.244 1.00 0.00 H ATOM 109 N GLN A 14 1.715 -13.039 1.224 1.00 24.97 N ATOM 110 CA GLN A 14 1.706 -12.193 0.024 1.00 26.22 C ATOM 111 C GLN A 14 3.174 -11.983 -0.353 1.00 26.44 C ATOM 112 O GLN A 14 4.060 -12.402 0.398 1.00 24.27 O ATOM 113 CB GLN A 14 0.944 -10.916 0.291 1.00 24.56 C ATOM 114 CG GLN A 14 -0.551 -11.174 0.504 1.00 24.87 C ATOM 115 CD GLN A 14 -1.344 -9.906 0.668 1.00 25.51 C ATOM 116 OE1 GLN A 14 -0.821 -8.908 1.131 1.00 28.02 O ATOM 117 NE2 GLN A 14 -2.633 -9.948 0.320 1.00 29.18 N ATOM 118 HE22 GLN A 14 -3.038 -10.822 -0.072 1.00 0.00 H ATOM 119 HE21 GLN A 14 -3.232 -9.106 0.441 1.00 0.00 H ATOM 120 H GLN A 14 1.923 -12.601 2.144 1.00 0.00 H ATOM 121 N PRO A 15 3.446 -11.394 -1.539 1.00 28.30 N ATOM 122 CA PRO A 15 4.839 -11.252 -1.978 1.00 28.13 C ATOM 123 C PRO A 15 5.828 -10.652 -0.982 1.00 28.71 C ATOM 124 O PRO A 15 6.972 -11.083 -0.974 1.00 29.51 O ATOM 125 CB PRO A 15 4.694 -10.354 -3.213 1.00 29.54 C ATOM 126 CG PRO A 15 3.444 -10.879 -3.819 1.00 27.29 C ATOM 127 CD PRO A 15 2.525 -10.984 -2.620 1.00 27.78 C ATOM 128 N GLN A 16 5.419 -9.679 -0.163 1.00 26.43 N ATOM 129 CA GLN A 16 6.382 -8.996 0.704 1.00 29.54 C ATOM 130 C GLN A 16 5.982 -8.952 2.186 1.00 26.10 C ATOM 131 O GLN A 16 6.618 -8.283 2.995 1.00 24.54 O ATOM 132 CB GLN A 16 6.608 -7.600 0.149 1.00 35.35 C ATOM 133 CG GLN A 16 7.391 -7.640 -1.157 1.00 40.46 C ATOM 134 CD GLN A 16 7.258 -6.375 -1.947 1.00 48.67 C ATOM 135 OE1 GLN A 16 8.244 -5.675 -2.201 1.00 54.03 O ATOM 136 NE2 GLN A 16 6.031 -6.062 -2.341 1.00 54.08 N ATOM 137 HE22 GLN A 16 5.233 -6.685 -2.102 1.00 0.00 H ATOM 138 HE21 GLN A 16 5.867 -5.194 -2.889 1.00 0.00 H ATOM 139 H GLN A 16 4.416 -9.406 -0.141 1.00 0.00 H ATOM 140 N ARG A 17 4.969 -9.728 2.542 1.00 24.84 N ATOM 141 CA ARG A 17 4.449 -9.740 3.917 1.00 23.92 C ATOM 142 C ARG A 17 3.625 -10.996 4.211 1.00 21.63 C ATOM 143 O ARG A 17 3.086 -11.665 3.307 1.00 20.04 O ATOM 144 CB ARG A 17 3.627 -8.457 4.187 1.00 25.10 C ATOM 145 CG ARG A 17 2.407 -8.283 3.293 1.00 25.09 C ATOM 146 CD ARG A 17 1.562 -7.090 3.662 1.00 25.65 C ATOM 147 NE ARG A 17 0.283 -7.100 2.942 1.00 26.28 N ATOM 148 CZ ARG A 17 -0.681 -6.200 3.114 1.00 26.34 C ATOM 149 NH1 ARG A 17 -0.526 -5.191 3.961 1.00 28.51 N ATOM 150 NH2 ARG A 17 -1.821 -6.330 2.470 1.00 27.41 N ATOM 151 HE ARG A 17 0.120 -7.861 2.252 1.00 0.00 H ATOM 152 HH12 ARG A 17 -1.288 -4.495 4.085 1.00 0.00 H ATOM 153 HH11 ARG A 17 0.358 -5.096 4.501 1.00 0.00 H ATOM 154 HH22 ARG A 17 -2.576 -5.628 2.603 1.00 0.00 H ATOM 155 HH21 ARG A 17 -1.967 -7.135 1.828 1.00 0.00 H ATOM 156 H ARG A 17 4.530 -10.345 1.830 1.00 0.00 H ATOM 157 N VAL A 18 3.480 -11.273 5.499 1.00 19.66 N ATOM 158 CA VAL A 18 2.714 -12.400 5.980 1.00 19.11 C ATOM 159 C VAL A 18 1.794 -11.918 7.110 1.00 18.08 C ATOM 160 O VAL A 18 2.183 -11.051 7.890 1.00 16.42 O ATOM 161 CB VAL A 18 3.651 -13.556 6.457 1.00 19.93 C ATOM 162 CG1 VAL A 18 4.486 -13.162 7.676 1.00 20.14 C ATOM 163 CG2 VAL A 18 2.839 -14.822 6.714 1.00 20.50 C ATOM 164 H VAL A 18 3.938 -10.651 6.195 1.00 0.00 H ATOM 165 N LEU A 19 0.586 -12.459 7.159 1.00 17.69 N ATOM 166 CA LEU A 19 -0.380 -12.147 8.208 1.00 18.57 C ATOM 167 C LEU A 19 -0.262 -13.169 9.317 1.00 18.94 C ATOM 168 O LEU A 19 -0.426 -14.350 9.067 1.00 20.95 O ATOM 169 CB LEU A 19 -1.804 -12.225 7.656 1.00 20.05 C ATOM 170 CG LEU A 19 -2.862 -11.658 8.598 1.00 19.71 C ATOM 171 CD1 LEU A 19 -2.699 -10.150 8.679 1.00 20.23 C ATOM 172 CD2 LEU A 19 -4.235 -12.043 8.087 1.00 21.22 C ATOM 173 H LEU A 19 0.314 -13.136 6.418 1.00 0.00 H ATOM 174 N LEU A 20 -0.027 -12.716 10.552 1.00 18.72 N ATOM 175 CA LEU A 20 -0.030 -13.583 11.714 1.00 18.14 C ATOM 176 C LEU A 20 -1.045 -13.011 12.683 1.00 18.87 C ATOM 177 O LEU A 20 -1.449 -11.867 12.570 1.00 19.23 O ATOM 178 CB LEU A 20 1.375 -13.658 12.332 1.00 18.13 C ATOM 179 CG LEU A 20 2.484 -14.192 11.395 1.00 18.88 C ATOM 180 CD1 LEU A 20 3.863 -14.077 12.017 1.00 19.36 C ATOM 181 CD2 LEU A 20 2.194 -15.639 11.021 1.00 20.39 C ATOM 182 H LEU A 20 0.165 -11.703 10.685 1.00 0.00 H ATOM 183 N GLY A 21 -1.489 -13.811 13.629 1.00 19.19 N ATOM 184 CA GLY A 21 -2.395 -13.299 14.673 1.00 19.59 C ATOM 185 C GLY A 21 -1.830 -13.597 16.042 1.00 19.60 C ATOM 186 O GLY A 21 -1.327 -14.679 16.252 1.00 19.10 O ATOM 187 H GLY A 21 -1.199 -14.810 13.640 1.00 0.00 H ATOM 188 N MET A 22 -1.926 -12.631 16.956 1.00 21.23 N ATOM 189 CA MET A 22 -1.516 -12.815 18.338 1.00 21.92 C ATOM 190 C MET A 22 -2.647 -13.642 18.968 1.00 23.11 C ATOM 191 O MET A 22 -3.824 -13.245 18.920 1.00 20.82 O ATOM 192 CB MET A 22 -1.296 -11.451 19.012 1.00 22.16 C ATOM 193 CG MET A 22 -1.137 -11.446 20.524 1.00 23.78 C ATOM 194 SD MET A 22 0.100 -12.624 21.087 1.00 26.26 S ATOM 195 CE MET A 22 1.601 -11.970 20.387 1.00 27.06 C ATOM 196 H MET A 22 -2.310 -11.708 16.668 1.00 0.00 H ATOM 197 N LYS A 23 -2.301 -14.818 19.490 1.00 22.16 N ATOM 198 CA LYS A 23 -3.300 -15.668 20.128 1.00 25.65 C ATOM 199 C LYS A 23 -3.660 -15.137 21.518 1.00 25.57 C ATOM 200 O LYS A 23 -2.803 -14.961 22.380 1.00 24.40 O ATOM 201 CB LYS A 23 -2.836 -17.110 20.223 1.00 27.05 C ATOM 202 CG LYS A 23 -3.966 -18.051 20.616 1.00 28.79 C ATOM 203 CD LYS A 23 -3.740 -19.420 20.053 1.00 32.04 C ATOM 204 CE LYS A 23 -5.000 -20.248 20.136 1.00 34.32 C ATOM 205 NZ LYS A 23 -4.607 -21.671 20.219 1.00 37.02 N ATOM 206 HZ1 LYS A 23 -4.062 -21.929 19.371 1.00 0.00 H ATOM 207 HZ2 LYS A 23 -4.023 -21.819 21.067 1.00 0.00 H ATOM 208 HZ3 LYS A 23 -5.461 -22.262 20.277 1.00 0.00 H ATOM 209 H LYS A 23 -1.311 -15.132 19.442 1.00 0.00 H ATOM 210 N LYS A 24 -4.937 -14.892 21.717 1.00 27.75 N ATOM 211 CA LYS A 24 -5.392 -14.165 22.899 1.00 31.05 C ATOM 212 C LYS A 24 -5.788 -15.088 24.037 1.00 34.54 C ATOM 213 O LYS A 24 -5.825 -14.635 25.164 1.00 35.55 O ATOM 214 CB LYS A 24 -6.549 -13.262 22.527 1.00 32.32 C ATOM 215 CG LYS A 24 -6.126 -12.156 21.540 1.00 33.71 C ATOM 216 CD LYS A 24 -7.315 -11.549 20.810 1.00 34.42 C ATOM 217 CE LYS A 24 -8.242 -10.833 21.769 1.00 36.74 C ATOM 218 NZ LYS A 24 -9.427 -10.302 21.058 1.00 38.32 N ATOM 219 HZ1 LYS A 24 -9.119 -9.631 20.326 1.00 0.00 H ATOM 220 HZ2 LYS A 24 -9.945 -11.088 20.615 1.00 0.00 H ATOM 221 HZ3 LYS A 24 -10.048 -9.816 21.736 1.00 0.00 H ATOM 222 H LYS A 24 -5.635 -15.222 21.020 1.00 0.00 H ATOM 223 N ARG A 25 -6.062 -16.362 23.744 1.00 34.93 N ATOM 224 CA ARG A 25 -6.529 -17.316 24.755 1.00 41.16 C ATOM 225 C ARG A 25 -6.287 -18.767 24.339 1.00 39.87 C ATOM 226 O ARG A 25 -6.100 -19.067 23.149 1.00 33.81 O ATOM 227 CB ARG A 25 -8.020 -17.114 25.012 1.00 45.49 C ATOM 228 CG ARG A 25 -8.884 -17.262 23.763 1.00 50.75 C ATOM 229 CD ARG A 25 -10.350 -17.333 24.132 1.00 60.17 C ATOM 230 NE ARG A 25 -11.191 -17.601 22.966 1.00 70.40 N ATOM 231 CZ ARG A 25 -12.508 -17.811 23.010 1.00 80.32 C ATOM 232 NH1 ARG A 25 -13.170 -17.796 24.171 1.00 85.32 N ATOM 233 NH2 ARG A 25 -13.178 -18.038 21.881 1.00 84.66 N ATOM 234 HE ARG A 25 -10.729 -17.630 22.035 1.00 0.00 H ATOM 235 HH12 ARG A 25 -14.197 -17.962 24.186 1.00 0.00 H ATOM 236 HH11 ARG A 25 -12.659 -17.619 25.059 1.00 0.00 H ATOM 237 HH22 ARG A 25 -14.205 -18.202 21.910 1.00 0.00 H ATOM 238 HH21 ARG A 25 -12.674 -18.051 20.971 1.00 0.00 H ATOM 239 H ARG A 25 -5.940 -16.689 22.764 1.00 0.00 H ATOM 240 N GLY A 26 -6.299 -19.662 25.328 1.00 38.45 N ATOM 241 CA GLY A 26 -6.055 -21.083 25.071 1.00 39.23 C ATOM 242 C GLY A 26 -4.594 -21.433 24.803 1.00 35.16 C ATOM 243 O GLY A 26 -3.689 -20.764 25.267 1.00 31.95 O ATOM 244 H GLY A 26 -6.485 -19.344 26.301 1.00 0.00 H ATOM 245 N PHE A 27 -4.388 -22.508 24.056 1.00 33.95 N ATOM 246 CA PHE A 27 -3.075 -23.128 23.929 1.00 33.95 C ATOM 247 C PHE A 27 -2.172 -22.282 23.032 1.00 32.93 C ATOM 248 O PHE A 27 -2.545 -22.001 21.908 1.00 32.69 O ATOM 249 CB PHE A 27 -3.259 -24.524 23.350 1.00 32.52 C ATOM 250 CG PHE A 27 -2.040 -25.381 23.424 1.00 34.84 C ATOM 251 CD1 PHE A 27 -1.494 -25.725 24.647 1.00 34.60 C ATOM 252 CD2 PHE A 27 -1.462 -25.898 22.271 1.00 35.35 C ATOM 253 CE1 PHE A 27 -0.381 -26.534 24.718 1.00 35.96 C ATOM 254 CE2 PHE A 27 -0.334 -26.704 22.343 1.00 36.55 C ATOM 255 CZ PHE A 27 0.206 -27.021 23.568 1.00 35.77 C ATOM 256 H PHE A 27 -5.191 -22.924 23.542 1.00 0.00 H ATOM 257 N GLY A 28 -1.003 -21.888 23.538 1.00 31.48 N ATOM 258 CA GLY A 28 -0.089 -20.992 22.827 1.00 31.43 C ATOM 259 C GLY A 28 -0.482 -19.516 22.830 1.00 30.53 C ATOM 260 O GLY A 28 -0.004 -18.747 21.993 1.00 27.99 O ATOM 261 H GLY A 28 -0.728 -22.233 24.480 1.00 0.00 H ATOM 262 N ALA A 29 -1.359 -19.120 23.760 1.00 28.23 N ATOM 263 CA ALA A 29 -1.671 -17.722 23.963 1.00 27.12 C ATOM 264 C ALA A 29 -0.409 -16.931 24.191 1.00 27.07 C ATOM 265 O ALA A 29 0.546 -17.420 24.817 1.00 28.46 O ATOM 266 CB ALA A 29 -2.637 -17.538 25.125 1.00 28.65 C ATOM 267 H ALA A 29 -1.828 -19.835 24.352 1.00 0.00 H ATOM 268 N GLY A 30 -0.362 -15.720 23.633 1.00 24.57 N ATOM 269 CA GLY A 30 0.804 -14.869 23.792 1.00 23.30 C ATOM 270 C GLY A 30 1.859 -15.050 22.712 1.00 23.15 C ATOM 271 O GLY A 30 2.902 -14.411 22.766 1.00 23.35 O ATOM 272 H GLY A 30 -1.172 -15.381 23.076 1.00 0.00 H ATOM 273 N ARG A 31 1.575 -15.880 21.712 1.00 22.47 N ATOM 274 CA ARG A 31 2.458 -16.046 20.554 1.00 20.96 C ATOM 275 C ARG A 31 1.738 -15.658 19.282 1.00 19.89 C ATOM 276 O ARG A 31 0.527 -15.747 19.216 1.00 19.68 O ATOM 277 CB ARG A 31 2.896 -17.521 20.464 1.00 20.54 C ATOM 278 CG ARG A 31 3.994 -17.827 21.443 1.00 20.83 C ATOM 279 CD ARG A 31 4.192 -19.300 21.633 1.00 23.05 C ATOM 280 NE ARG A 31 5.448 -19.528 22.355 1.00 23.40 N ATOM 281 CZ ARG A 31 5.880 -20.705 22.772 1.00 23.76 C ATOM 282 NH1 ARG A 31 5.196 -21.790 22.542 1.00 24.03 N ATOM 283 NH2 ARG A 31 7.041 -20.793 23.405 1.00 26.44 N ATOM 284 HE ARG A 31 6.044 -18.700 22.554 1.00 0.00 H ATOM 285 HH12 ARG A 31 5.550 -22.709 22.877 1.00 0.00 H ATOM 286 HH11 ARG A 31 4.296 -21.737 22.023 1.00 0.00 H ATOM 287 HH22 ARG A 31 7.385 -21.717 23.735 1.00 0.00 H ATOM 288 HH21 ARG A 31 7.608 -19.938 23.572 1.00 0.00 H ATOM 289 H ARG A 31 0.694 -16.431 21.753 1.00 0.00 H ATOM 290 N TRP A 32 2.508 -15.266 18.271 1.00 18.95 N ATOM 291 CA TRP A 32 1.995 -14.994 16.928 1.00 19.99 C ATOM 292 C TRP A 32 1.872 -16.329 16.158 1.00 19.74 C ATOM 293 O TRP A 32 2.841 -17.048 16.036 1.00 21.37 O ATOM 294 CB TRP A 32 2.947 -14.038 16.172 1.00 19.75 C ATOM 295 CG TRP A 32 3.012 -12.628 16.776 1.00 20.76 C ATOM 296 CD1 TRP A 32 3.968 -12.144 17.603 1.00 20.47 C ATOM 297 CD2 TRP A 32 2.075 -11.551 16.580 1.00 19.34 C ATOM 298 NE1 TRP A 32 3.686 -10.839 17.957 1.00 20.44 N ATOM 299 CE2 TRP A 32 2.533 -10.452 17.347 1.00 19.38 C ATOM 300 CE3 TRP A 32 0.897 -11.405 15.836 1.00 18.78 C ATOM 301 CZ2 TRP A 32 1.855 -9.241 17.399 1.00 19.22 C ATOM 302 CZ3 TRP A 32 0.230 -10.194 15.888 1.00 19.07 C ATOM 303 CH2 TRP A 32 0.704 -9.142 16.674 1.00 18.82 C ATOM 304 HE1 TRP A 32 4.263 -10.247 18.589 1.00 0.00 H ATOM 305 H TRP A 32 3.527 -15.147 18.444 1.00 0.00 H ATOM 306 N ASN A 33 0.682 -16.628 15.647 1.00 19.18 N ATOM 307 CA ASN A 33 0.402 -17.877 14.961 1.00 19.39 C ATOM 308 C ASN A 33 -0.231 -17.591 13.636 1.00 19.08 C ATOM 309 O ASN A 33 -0.732 -16.502 13.408 1.00 19.85 O ATOM 310 CB ASN A 33 -0.649 -18.698 15.712 1.00 20.16 C ATOM 311 CG ASN A 33 -0.233 -19.091 17.103 1.00 19.77 C ATOM 312 OD1 ASN A 33 0.897 -18.857 17.552 1.00 19.42 O ATOM 313 ND2 ASN A 33 -1.159 -19.727 17.796 1.00 19.70 N ATOM 314 HD22 ASN A 33 -2.095 -19.901 17.377 1.00 0.00 H ATOM 315 HD21 ASN A 33 -0.953 -20.054 18.761 1.00 0.00 H ATOM 316 H ASN A 33 -0.086 -15.934 15.743 1.00 0.00 H ATOM 317 N GLY A 34 -0.268 -18.617 12.794 1.00 19.06 N ATOM 318 CA GLY A 34 -1.133 -18.644 11.625 1.00 18.15 C ATOM 319 C GLY A 34 -2.531 -18.950 12.134 1.00 18.61 C ATOM 320 O GLY A 34 -2.766 -19.117 13.344 1.00 18.83 O ATOM 321 H GLY A 34 0.347 -19.435 12.978 1.00 0.00 H ATOM 322 N PHE A 35 -3.471 -19.004 11.222 1.00 18.66 N ATOM 323 CA PHE A 35 -4.864 -19.218 11.563 1.00 20.43 C ATOM 324 C PHE A 35 -5.221 -20.718 11.432 1.00 20.80 C ATOM 325 O PHE A 35 -4.938 -21.369 10.427 1.00 22.14 O ATOM 326 CB PHE A 35 -5.732 -18.292 10.695 1.00 20.82 C ATOM 327 CG PHE A 35 -5.395 -16.846 10.883 1.00 22.92 C ATOM 328 CD1 PHE A 35 -5.982 -16.115 11.894 1.00 23.70 C ATOM 329 CD2 PHE A 35 -4.417 -16.233 10.091 1.00 24.41 C ATOM 330 CE1 PHE A 35 -5.643 -14.781 12.096 1.00 25.07 C ATOM 331 CE2 PHE A 35 -4.061 -14.917 10.300 1.00 24.70 C ATOM 332 CZ PHE A 35 -4.666 -14.186 11.299 1.00 24.97 C ATOM 333 H PHE A 35 -3.209 -18.890 10.222 1.00 0.00 H ATOM 334 N GLY A 36 -5.793 -21.281 12.480 1.00 21.70 N ATOM 335 CA GLY A 36 -6.206 -22.659 12.432 1.00 22.85 C ATOM 336 C GLY A 36 -6.785 -23.194 13.715 1.00 24.26 C ATOM 337 O GLY A 36 -7.118 -22.443 14.627 1.00 24.83 O ATOM 338 H GLY A 36 -5.946 -20.725 13.346 1.00 0.00 H ATOM 339 N GLY A 37 -6.896 -24.502 13.757 1.00 21.94 N ATOM 340 CA GLY A 37 -7.502 -25.198 14.864 1.00 23.05 C ATOM 341 C GLY A 37 -7.914 -26.601 14.464 1.00 20.92 C ATOM 342 O GLY A 37 -7.486 -27.132 13.437 1.00 21.00 O ATOM 343 H GLY A 37 -6.531 -25.059 12.958 1.00 0.00 H ATOM 344 N LYS A 38 -8.765 -27.187 15.297 1.00 22.23 N ATOM 345 CA LYS A 38 -9.203 -28.561 15.166 1.00 21.79 C ATOM 346 C LYS A 38 -10.184 -28.696 14.008 1.00 20.93 C ATOM 347 O LYS A 38 -11.098 -27.879 13.871 1.00 22.25 O ATOM 348 CB LYS A 38 -9.864 -29.021 16.471 1.00 24.07 C ATOM 349 CG LYS A 38 -8.888 -29.185 17.640 1.00 27.67 C ATOM 350 CD LYS A 38 -9.618 -29.278 18.973 1.00 31.50 C ATOM 351 CE LYS A 38 -8.698 -29.705 20.099 1.00 33.91 C ATOM 352 NZ LYS A 38 -9.486 -30.500 21.071 1.00 38.58 N ATOM 353 HZ1 LYS A 38 -10.261 -29.917 21.446 1.00 0.00 H ATOM 354 HZ2 LYS A 38 -9.879 -31.337 20.595 1.00 0.00 H ATOM 355 HZ3 LYS A 38 -8.869 -30.802 21.852 1.00 0.00 H ATOM 356 H LYS A 38 -9.139 -26.627 16.090 1.00 0.00 H ATOM 357 N VAL A 39 -9.999 -29.732 13.188 1.00 19.87 N ATOM 358 CA VAL A 39 -10.959 -30.068 12.166 1.00 18.91 C ATOM 359 C VAL A 39 -12.188 -30.742 12.833 1.00 20.16 C ATOM 360 O VAL A 39 -12.065 -31.663 13.667 1.00 21.12 O ATOM 361 CB VAL A 39 -10.340 -30.997 11.118 1.00 19.97 C ATOM 362 CG1 VAL A 39 -11.387 -31.422 10.073 1.00 20.55 C ATOM 363 CG2 VAL A 39 -9.172 -30.318 10.429 1.00 19.44 C ATOM 364 H VAL A 39 -9.141 -30.311 13.288 1.00 0.00 H ATOM 365 N GLN A 40 -13.371 -30.282 12.480 1.00 21.00 N ATOM 366 CA GLN A 40 -14.596 -30.828 13.061 1.00 23.85 C ATOM 367 C GLN A 40 -15.225 -31.979 12.267 1.00 24.13 C ATOM 368 O GLN A 40 -14.932 -32.192 11.112 1.00 22.34 O ATOM 369 CB GLN A 40 -15.608 -29.733 13.204 1.00 26.54 C ATOM 370 CG GLN A 40 -15.275 -28.779 14.322 1.00 30.05 C ATOM 371 CD GLN A 40 -16.008 -27.460 14.200 1.00 34.55 C ATOM 372 OE1 GLN A 40 -16.982 -27.324 13.433 1.00 37.18 O ATOM 373 NE2 GLN A 40 -15.536 -26.465 14.948 1.00 37.85 N ATOM 374 HE22 GLN A 40 -14.721 -26.626 15.573 1.00 0.00 H ATOM 375 HE21 GLN A 40 -15.983 -25.527 14.907 1.00 0.00 H ATOM 376 H GLN A 40 -13.434 -29.518 11.777 1.00 0.00 H ATOM 377 N GLU A 41 -16.119 -32.701 12.925 1.00 24.17 N ATOM 378 CA GLU A 41 -16.991 -33.699 12.275 1.00 25.62 C ATOM 379 C GLU A 41 -17.826 -33.016 11.234 1.00 22.58 C ATOM 380 O GLU A 41 -18.375 -31.978 11.498 1.00 22.51 O ATOM 381 CB GLU A 41 -17.921 -34.363 13.307 1.00 27.57 C ATOM 382 CG GLU A 41 -17.170 -35.245 14.283 1.00 30.58 C ATOM 383 CD GLU A 41 -17.779 -35.405 15.691 1.00 39.32 C ATOM 384 OE1 GLU A 41 -17.175 -36.191 16.459 1.00 45.59 O ATOM 385 OE2 GLU A 41 -18.816 -34.783 16.073 1.00 40.14 O ATOM 386 H GLU A 41 -16.211 -32.558 13.951 1.00 0.00 H ATOM 387 N GLY A 42 -17.901 -33.581 10.035 1.00 21.43 N ATOM 388 CA GLY A 42 -18.732 -33.026 8.982 1.00 22.11 C ATOM 389 C GLY A 42 -18.127 -31.954 8.092 1.00 22.65 C ATOM 390 O GLY A 42 -18.839 -31.322 7.329 1.00 22.53 O ATOM 391 H GLY A 42 -17.351 -34.443 9.845 1.00 0.00 H ATOM 392 N GLU A 43 -16.818 -31.744 8.163 1.00 22.88 N ATOM 393 CA GLU A 43 -16.148 -30.855 7.204 1.00 23.35 C ATOM 394 C GLU A 43 -14.848 -31.509 6.738 1.00 21.90 C ATOM 395 O GLU A 43 -14.197 -32.219 7.508 1.00 21.57 O ATOM 396 CB GLU A 43 -15.862 -29.474 7.859 1.00 24.86 C ATOM 397 CG GLU A 43 -14.793 -29.516 8.974 1.00 25.09 C ATOM 398 CD GLU A 43 -14.626 -28.227 9.773 1.00 27.40 C ATOM 399 OE1 GLU A 43 -13.773 -28.261 10.723 1.00 25.67 O ATOM 400 OE2 GLU A 43 -15.286 -27.173 9.457 1.00 27.70 O ATOM 401 H GLU A 43 -16.261 -32.214 8.905 1.00 0.00 H ATOM 402 N THR A 44 -14.427 -31.203 5.519 1.00 21.90 N ATOM 403 CA THR A 44 -13.120 -31.636 5.040 1.00 22.42 C ATOM 404 C THR A 44 -11.994 -30.883 5.766 1.00 22.05 C ATOM 405 O THR A 44 -12.224 -29.926 6.476 1.00 22.75 O ATOM 406 CB THR A 44 -12.962 -31.428 3.530 1.00 23.09 C ATOM 407 OG1 THR A 44 -13.014 -30.033 3.222 1.00 23.56 O ATOM 408 CG2 THR A 44 -14.069 -32.155 2.751 1.00 23.37 C ATOM 409 HG1 THR A 44 -12.911 -29.908 2.245 1.00 0.00 H ATOM 410 H THR A 44 -15.040 -30.644 4.893 1.00 0.00 H ATOM 411 N ILE A 45 -10.773 -31.322 5.570 1.00 22.52 N ATOM 412 CA ILE A 45 -9.658 -30.620 6.149 1.00 22.23 C ATOM 413 C ILE A 45 -9.622 -29.182 5.599 1.00 22.50 C ATOM 414 O ILE A 45 -9.526 -28.232 6.370 1.00 19.90 O ATOM 415 CB ILE A 45 -8.362 -31.384 5.911 1.00 21.40 C ATOM 416 CG1 ILE A 45 -8.408 -32.702 6.708 1.00 23.07 C ATOM 417 CG2 ILE A 45 -7.177 -30.546 6.342 1.00 20.68 C ATOM 418 CD1 ILE A 45 -7.232 -33.622 6.484 1.00 23.70 C ATOM 419 H ILE A 45 -10.611 -32.175 4.998 1.00 0.00 H ATOM 420 N GLU A 46 -9.779 -29.035 4.293 1.00 22.36 N ATOM 421 CA GLU A 46 -9.724 -27.736 3.683 1.00 26.12 C ATOM 422 C GLU A 46 -10.865 -26.832 4.160 1.00 23.88 C ATOM 423 O GLU A 46 -10.659 -25.642 4.429 1.00 20.72 O ATOM 424 CB GLU A 46 -9.773 -27.851 2.155 1.00 30.24 C ATOM 425 CG GLU A 46 -9.282 -26.581 1.506 1.00 36.35 C ATOM 426 CD GLU A 46 -9.894 -26.261 0.143 1.00 42.96 C ATOM 427 OE1 GLU A 46 -11.147 -26.346 -0.048 1.00 45.39 O ATOM 428 OE2 GLU A 46 -9.088 -25.843 -0.711 1.00 44.59 O ATOM 429 H GLU A 46 -9.945 -29.873 3.700 1.00 0.00 H ATOM 430 N ASP A 47 -12.064 -27.399 4.235 1.00 25.46 N ATOM 431 CA ASP A 47 -13.221 -26.692 4.790 1.00 25.92 C ATOM 432 C ASP A 47 -12.910 -26.150 6.178 1.00 23.15 C ATOM 433 O ASP A 47 -13.259 -25.020 6.495 1.00 22.23 O ATOM 434 CB ASP A 47 -14.442 -27.620 4.943 1.00 28.69 C ATOM 435 CG ASP A 47 -15.173 -27.898 3.634 1.00 34.45 C ATOM 436 OD1 ASP A 47 -14.922 -27.150 2.654 1.00 34.89 O ATOM 437 OD2 ASP A 47 -16.001 -28.893 3.624 1.00 37.21 O ATOM 438 H ASP A 47 -12.185 -28.373 3.890 1.00 0.00 H ATOM 439 N GLY A 48 -12.322 -26.989 7.016 1.00 22.58 N ATOM 440 CA GLY A 48 -11.937 -26.595 8.372 1.00 21.97 C ATOM 441 C GLY A 48 -10.956 -25.450 8.364 1.00 21.87 C ATOM 442 O GLY A 48 -11.073 -24.535 9.171 1.00 22.33 O ATOM 443 H GLY A 48 -12.127 -27.961 6.700 1.00 0.00 H ATOM 444 N ALA A 49 -9.990 -25.487 7.439 1.00 21.12 N ATOM 445 CA ALA A 49 -9.018 -24.397 7.300 1.00 22.05 C ATOM 446 C ALA A 49 -9.700 -23.072 6.984 1.00 21.48 C ATOM 447 O ALA A 49 -9.374 -22.039 7.582 1.00 21.26 O ATOM 448 CB ALA A 49 -7.993 -24.730 6.220 1.00 21.18 C ATOM 449 H ALA A 49 -9.927 -26.308 6.804 1.00 0.00 H ATOM 450 N ARG A 50 -10.665 -23.106 6.054 1.00 21.57 N ATOM 451 CA ARG A 50 -11.401 -21.897 5.666 1.00 21.44 C ATOM 452 C ARG A 50 -12.237 -21.379 6.802 1.00 21.67 C ATOM 453 O ARG A 50 -12.295 -20.181 7.029 1.00 22.90 O ATOM 454 CB ARG A 50 -12.348 -22.155 4.494 1.00 22.41 C ATOM 455 CG ARG A 50 -11.637 -22.485 3.200 1.00 24.76 C ATOM 456 CD ARG A 50 -12.629 -22.918 2.132 1.00 26.94 C ATOM 457 NE ARG A 50 -11.933 -23.008 0.861 1.00 28.11 N ATOM 458 CZ ARG A 50 -11.756 -22.002 0.008 1.00 30.63 C ATOM 459 NH1 ARG A 50 -12.216 -20.779 0.273 1.00 31.96 N ATOM 460 NH2 ARG A 50 -11.069 -22.214 -1.115 1.00 29.12 N ATOM 461 HE ARG A 50 -11.541 -23.934 0.596 1.00 0.00 H ATOM 462 HH12 ARG A 50 -12.066 -20.008 -0.409 1.00 0.00 H ATOM 463 HH11 ARG A 50 -12.725 -20.596 1.161 1.00 0.00 H ATOM 464 HH22 ARG A 50 -10.923 -21.436 -1.790 1.00 0.00 H ATOM 465 HH21 ARG A 50 -10.679 -23.157 -1.316 1.00 0.00 H ATOM 466 H ARG A 50 -10.898 -24.011 5.597 1.00 0.00 H ATOM 467 N ARG A 51 -12.901 -22.295 7.499 1.00 22.64 N ATOM 468 CA ARG A 51 -13.726 -21.944 8.642 1.00 23.82 C ATOM 469 C ARG A 51 -12.874 -21.248 9.690 1.00 24.25 C ATOM 470 O ARG A 51 -13.267 -20.197 10.174 1.00 24.50 O ATOM 471 CB ARG A 51 -14.383 -23.198 9.248 1.00 25.53 C ATOM 472 CG ARG A 51 -15.240 -22.937 10.492 1.00 26.44 C ATOM 473 CD ARG A 51 -15.771 -24.217 11.121 1.00 29.74 C ATOM 474 NE ARG A 51 -14.747 -25.230 11.430 1.00 29.45 N ATOM 475 CZ ARG A 51 -13.908 -25.214 12.465 1.00 32.07 C ATOM 476 NH1 ARG A 51 -13.877 -24.200 13.340 1.00 32.36 N ATOM 477 NH2 ARG A 51 -13.029 -26.209 12.600 1.00 34.65 N ATOM 478 HE ARG A 51 -14.672 -26.036 10.777 1.00 0.00 H ATOM 479 HH12 ARG A 51 -13.209 -24.221 14.137 1.00 0.00 H ATOM 480 HH11 ARG A 51 -14.521 -23.392 13.223 1.00 0.00 H ATOM 481 HH22 ARG A 51 -12.367 -26.213 13.402 1.00 0.00 H ATOM 482 HH21 ARG A 51 -13.006 -26.981 11.903 1.00 0.00 H ATOM 483 H ARG A 51 -12.828 -23.294 7.218 1.00 0.00 H ATOM 484 N GLU A 52 -11.731 -21.849 10.044 1.00 25.52 N ATOM 485 CA GLU A 52 -10.869 -21.299 11.089 1.00 27.01 C ATOM 486 C GLU A 52 -10.375 -19.908 10.682 1.00 25.29 C ATOM 487 O GLU A 52 -10.447 -18.955 11.478 1.00 24.53 O ATOM 488 CB GLU A 52 -9.698 -22.233 11.450 1.00 30.20 C ATOM 489 CG GLU A 52 -10.077 -23.559 12.143 1.00 33.38 C ATOM 490 CD GLU A 52 -10.545 -23.443 13.602 1.00 37.81 C ATOM 491 OE1 GLU A 52 -10.720 -22.316 14.126 1.00 39.48 O ATOM 492 OE2 GLU A 52 -10.751 -24.513 14.234 1.00 40.26 O ATOM 493 H GLU A 52 -11.450 -22.728 9.564 1.00 0.00 H ATOM 494 N LEU A 53 -9.937 -19.765 9.443 1.00 23.63 N ATOM 495 CA LEU A 53 -9.535 -18.453 8.951 1.00 25.50 C ATOM 496 C LEU A 53 -10.627 -17.387 9.114 1.00 25.93 C ATOM 497 O LEU A 53 -10.376 -16.316 9.700 1.00 26.01 O ATOM 498 CB LEU A 53 -9.105 -18.538 7.487 1.00 25.71 C ATOM 499 CG LEU A 53 -8.528 -17.239 6.922 1.00 26.66 C ATOM 500 CD1 LEU A 53 -7.195 -16.878 7.562 1.00 26.24 C ATOM 501 CD2 LEU A 53 -8.390 -17.356 5.398 1.00 26.66 C ATOM 502 H LEU A 53 -9.879 -20.593 8.816 1.00 0.00 H ATOM 503 N GLN A 54 -11.825 -17.691 8.611 1.00 27.72 N ATOM 504 CA GLN A 54 -12.967 -16.794 8.716 1.00 30.05 C ATOM 505 C GLN A 54 -13.333 -16.515 10.161 1.00 28.96 C ATOM 506 O GLN A 54 -13.608 -15.381 10.501 1.00 28.05 O ATOM 507 CB GLN A 54 -14.198 -17.374 8.013 1.00 33.41 C ATOM 508 CG GLN A 54 -15.242 -16.351 7.603 1.00 35.58 C ATOM 509 CD GLN A 54 -16.225 -15.942 8.693 1.00 42.73 C ATOM 510 OE1 GLN A 54 -16.415 -16.629 9.723 1.00 43.38 O ATOM 511 NE2 GLN A 54 -16.883 -14.808 8.458 1.00 46.44 N ATOM 512 HE22 GLN A 54 -16.695 -14.268 7.589 1.00 0.00 H ATOM 513 HE21 GLN A 54 -17.585 -14.463 9.143 1.00 0.00 H ATOM 514 H GLN A 54 -11.948 -18.603 8.126 1.00 0.00 H ATOM 515 N GLU A 55 -13.352 -17.544 11.000 1.00 27.33 N ATOM 516 CA GLU A 55 -13.659 -17.364 12.418 1.00 28.38 C ATOM 517 C GLU A 55 -12.666 -16.487 13.141 1.00 27.86 C ATOM 518 O GLU A 55 -13.045 -15.686 13.990 1.00 29.75 O ATOM 519 CB GLU A 55 -13.731 -18.704 13.165 1.00 30.87 C ATOM 520 CG GLU A 55 -15.080 -19.385 13.094 1.00 34.97 C ATOM 521 CD GLU A 55 -15.093 -20.749 13.763 1.00 38.28 C ATOM 522 OE1 GLU A 55 -14.199 -21.041 14.595 1.00 42.12 O ATOM 523 OE2 GLU A 55 -15.998 -21.542 13.432 1.00 44.36 O ATOM 524 H GLU A 55 -13.144 -18.498 10.641 1.00 0.00 H ATOM 525 N GLU A 56 -11.400 -16.623 12.810 1.00 24.77 N ATOM 526 CA GLU A 56 -10.368 -15.951 13.560 1.00 25.60 C ATOM 527 C GLU A 56 -9.962 -14.563 13.029 1.00 26.29 C ATOM 528 O GLU A 56 -9.446 -13.753 13.793 1.00 26.73 O ATOM 529 CB GLU A 56 -9.179 -16.866 13.642 1.00 25.86 C ATOM 530 CG GLU A 56 -9.486 -18.103 14.442 1.00 26.08 C ATOM 531 CD GLU A 56 -8.411 -19.161 14.381 1.00 28.70 C ATOM 532 OE1 GLU A 56 -7.265 -18.917 13.907 1.00 28.48 O ATOM 533 OE2 GLU A 56 -8.744 -20.287 14.808 1.00 34.40 O ATOM 534 H GLU A 56 -11.141 -17.221 12.000 1.00 0.00 H ATOM 535 N SER A 57 -10.221 -14.297 11.752 1.00 25.53 N ATOM 536 CA SER A 57 -9.739 -13.082 11.081 1.00 26.58 C ATOM 537 C SER A 57 -10.787 -12.322 10.247 1.00 26.93 C ATOM 538 O SER A 57 -10.508 -11.212 9.798 1.00 29.49 O ATOM 539 CB SER A 57 -8.527 -13.434 10.200 1.00 25.35 C ATOM 540 OG SER A 57 -8.926 -14.146 9.038 1.00 25.79 O ATOM 541 HG SER A 57 -9.377 -14.986 9.306 1.00 0.00 H ATOM 542 H SER A 57 -10.788 -14.977 11.206 1.00 0.00 H ATOM 543 N GLY A 58 -11.971 -12.894 10.051 1.00 25.86 N ATOM 544 CA GLY A 58 -12.959 -12.385 9.090 1.00 26.74 C ATOM 545 C GLY A 58 -12.731 -12.743 7.631 1.00 28.32 C ATOM 546 O GLY A 58 -13.645 -12.574 6.809 1.00 28.19 O ATOM 547 H GLY A 58 -12.209 -13.742 10.604 1.00 0.00 H ATOM 548 N LEU A 59 -11.537 -13.230 7.276 1.00 25.62 N ATOM 549 CA LEU A 59 -11.183 -13.341 5.878 1.00 26.69 C ATOM 550 C LEU A 59 -11.754 -14.590 5.223 1.00 27.16 C ATOM 551 O LEU A 59 -11.907 -15.638 5.877 1.00 26.12 O ATOM 552 CB LEU A 59 -9.666 -13.377 5.730 1.00 27.82 C ATOM 553 CG LEU A 59 -8.929 -12.126 6.172 1.00 27.55 C ATOM 554 CD1 LEU A 59 -7.444 -12.420 6.253 1.00 28.22 C ATOM 555 CD2 LEU A 59 -9.248 -10.999 5.206 1.00 27.01 C ATOM 556 H LEU A 59 -10.861 -13.530 8.007 1.00 0.00 H ATOM 557 N THR A 60 -12.059 -14.476 3.933 1.00 24.93 N ATOM 558 CA THR A 60 -12.354 -15.632 3.109 1.00 26.86 C ATOM 559 C THR A 60 -11.286 -15.587 2.035 1.00 27.05 C ATOM 560 O THR A 60 -10.566 -14.578 1.932 1.00 26.79 O ATOM 561 CB THR A 60 -13.816 -15.645 2.574 1.00 28.38 C ATOM 562 OG1 THR A 60 -14.053 -14.519 1.726 1.00 30.83 O ATOM 563 CG2 THR A 60 -14.837 -15.619 3.747 1.00 31.30 C ATOM 564 HG1 THR A 60 -13.430 -14.549 0.957 1.00 0.00 H ATOM 565 H THR A 60 -12.087 -13.530 3.503 1.00 0.00 H ATOM 566 N VAL A 61 -11.157 -16.684 1.291 1.00 28.36 N ATOM 567 CA VAL A 61 -10.132 -16.841 0.255 1.00 31.69 C ATOM 568 C VAL A 61 -10.680 -17.546 -0.949 1.00 32.31 C ATOM 569 O VAL A 61 -11.639 -18.293 -0.873 1.00 31.77 O ATOM 570 CB VAL A 61 -8.917 -17.710 0.685 1.00 34.62 C ATOM 571 CG1 VAL A 61 -8.067 -16.974 1.697 1.00 38.06 C ATOM 572 CG2 VAL A 61 -9.368 -19.059 1.232 1.00 36.27 C ATOM 573 H VAL A 61 -11.818 -17.470 1.454 1.00 0.00 H ATOM 574 N ASP A 62 -9.980 -17.354 -2.041 1.00 33.56 N ATOM 575 CA ASP A 62 -10.314 -17.970 -3.288 1.00 37.85 C ATOM 576 C ASP A 62 -9.829 -19.422 -3.273 1.00 35.33 C ATOM 577 O ASP A 62 -10.595 -20.335 -3.578 1.00 34.37 O ATOM 578 CB ASP A 62 -9.647 -17.163 -4.420 1.00 43.91 C ATOM 579 CG ASP A 62 -10.475 -17.105 -5.659 1.00 50.35 C ATOM 580 OD1 ASP A 62 -11.478 -17.843 -5.756 1.00 54.95 O ATOM 581 OD2 ASP A 62 -10.114 -16.304 -6.551 1.00 57.67 O ATOM 582 H ASP A 62 -9.149 -16.729 -1.999 1.00 0.00 H ATOM 583 N ALA A 63 -8.563 -19.617 -2.900 1.00 31.67 N ATOM 584 CA ALA A 63 -7.907 -20.905 -2.961 1.00 30.17 C ATOM 585 C ALA A 63 -6.972 -21.062 -1.778 1.00 27.96 C ATOM 586 O ALA A 63 -6.395 -20.081 -1.339 1.00 26.42 O ATOM 587 CB ALA A 63 -7.109 -20.990 -4.243 1.00 30.81 C ATOM 588 H ALA A 63 -8.021 -18.802 -2.548 1.00 0.00 H ATOM 589 N LEU A 64 -6.857 -22.291 -1.268 1.00 26.55 N ATOM 590 CA LEU A 64 -5.804 -22.672 -0.331 1.00 25.66 C ATOM 591 C LEU A 64 -4.922 -23.664 -1.039 1.00 25.34 C ATOM 592 O LEU A 64 -5.413 -24.402 -1.882 1.00 26.05 O ATOM 593 CB LEU A 64 -6.389 -23.330 0.898 1.00 25.25 C ATOM 594 CG LEU A 64 -7.139 -22.391 1.827 1.00 27.53 C ATOM 595 CD1 LEU A 64 -7.949 -23.178 2.847 1.00 28.83 C ATOM 596 CD2 LEU A 64 -6.181 -21.460 2.571 1.00 28.31 C ATOM 597 H LEU A 64 -7.551 -23.012 -1.552 1.00 0.00 H ATOM 598 N HIS A 65 -3.635 -23.654 -0.714 1.00 22.50 N ATOM 599 CA HIS A 65 -2.638 -24.580 -1.245 1.00 24.41 C ATOM 600 C HIS A 65 -1.978 -25.334 -0.112 1.00 23.88 C ATOM 601 O HIS A 65 -1.562 -24.703 0.867 1.00 19.91 O ATOM 602 CB HIS A 65 -1.598 -23.790 -2.021 1.00 28.30 C ATOM 603 CG HIS A 65 -2.200 -23.073 -3.176 1.00 32.23 C ATOM 604 ND1 HIS A 65 -2.527 -23.721 -4.349 1.00 33.73 N ATOM 605 CD2 HIS A 65 -2.636 -21.799 -3.310 1.00 35.32 C ATOM 606 CE1 HIS A 65 -3.092 -22.859 -5.179 1.00 35.65 C ATOM 607 NE2 HIS A 65 -3.171 -21.686 -4.573 1.00 36.12 N ATOM 608 H HIS A 65 -3.314 -22.936 -0.033 1.00 0.00 H ATOM 609 N LYS A 66 -1.933 -26.664 -0.216 1.00 23.17 N ATOM 610 CA LYS A 66 -1.255 -27.520 0.786 1.00 22.80 C ATOM 611 C LYS A 66 0.222 -27.285 0.663 1.00 22.27 C ATOM 612 O LYS A 66 0.766 -27.345 -0.440 1.00 19.69 O ATOM 613 CB LYS A 66 -1.510 -29.011 0.542 1.00 26.30 C ATOM 614 CG LYS A 66 -2.938 -29.476 0.662 1.00 29.33 C ATOM 615 CD LYS A 66 -3.068 -30.907 0.153 1.00 33.60 C ATOM 616 CE LYS A 66 -4.464 -31.187 -0.363 1.00 37.72 C ATOM 617 NZ LYS A 66 -4.512 -32.471 -1.120 1.00 40.34 N ATOM 618 HZ1 LYS A 66 -3.862 -32.419 -1.931 1.00 0.00 H ATOM 619 HZ2 LYS A 66 -4.226 -33.251 -0.495 1.00 0.00 H ATOM 620 HZ3 LYS A 66 -5.481 -32.635 -1.461 1.00 0.00 H ATOM 621 H LYS A 66 -2.392 -27.117 -1.032 1.00 0.00 H ATOM 622 N VAL A 67 0.880 -26.956 1.764 1.00 19.23 N ATOM 623 CA VAL A 67 2.304 -26.689 1.733 1.00 19.79 C ATOM 624 C VAL A 67 3.102 -27.565 2.696 1.00 20.11 C ATOM 625 O VAL A 67 4.326 -27.616 2.595 1.00 19.36 O ATOM 626 CB VAL A 67 2.645 -25.190 1.981 1.00 21.06 C ATOM 627 CG1 VAL A 67 2.193 -24.336 0.795 1.00 22.22 C ATOM 628 CG2 VAL A 67 2.015 -24.647 3.267 1.00 21.79 C ATOM 629 H VAL A 67 0.366 -26.888 2.666 1.00 0.00 H ATOM 630 N GLY A 68 2.433 -28.252 3.619 1.00 19.05 N ATOM 631 CA GLY A 68 3.148 -29.017 4.609 1.00 18.16 C ATOM 632 C GLY A 68 2.262 -29.837 5.517 1.00 17.44 C ATOM 633 O GLY A 68 1.055 -29.663 5.561 1.00 16.04 O ATOM 634 H GLY A 68 1.393 -28.237 3.626 1.00 0.00 H ATOM 635 N GLN A 69 2.900 -30.758 6.223 1.00 19.40 N ATOM 636 CA GLN A 69 2.276 -31.513 7.300 1.00 19.39 C ATOM 637 C GLN A 69 3.273 -31.536 8.432 1.00 17.93 C ATOM 638 O GLN A 69 4.488 -31.770 8.210 1.00 16.69 O ATOM 639 CB GLN A 69 1.985 -32.913 6.868 1.00 22.34 C ATOM 640 CG GLN A 69 1.105 -33.653 7.838 1.00 28.44 C ATOM 641 CD GLN A 69 0.679 -34.991 7.281 1.00 34.54 C ATOM 642 OE1 GLN A 69 1.119 -35.390 6.199 1.00 42.01 O ATOM 643 NE2 GLN A 69 -0.156 -35.701 8.019 1.00 37.01 N ATOM 644 HE22 GLN A 69 -0.500 -35.323 8.925 1.00 0.00 H ATOM 645 HE21 GLN A 69 -0.469 -36.638 7.694 1.00 0.00 H ATOM 646 H GLN A 69 3.896 -30.952 5.997 1.00 0.00 H ATOM 647 N ILE A 70 2.804 -31.231 9.626 1.00 16.35 N ATOM 648 CA ILE A 70 3.659 -31.330 10.811 1.00 16.81 C ATOM 649 C ILE A 70 2.948 -32.191 11.817 1.00 16.15 C ATOM 650 O ILE A 70 1.753 -31.993 12.061 1.00 16.62 O ATOM 651 CB ILE A 70 3.976 -29.956 11.439 1.00 17.57 C ATOM 652 CG1 ILE A 70 4.560 -28.989 10.406 1.00 19.64 C ATOM 653 CG2 ILE A 70 4.976 -30.111 12.572 1.00 17.47 C ATOM 654 CD1 ILE A 70 4.692 -27.562 10.899 1.00 19.34 C ATOM 655 H ILE A 70 1.818 -30.917 9.727 1.00 0.00 H ATOM 656 N VAL A 71 3.677 -33.135 12.412 1.00 16.30 N ATOM 657 CA VAL A 71 3.160 -33.876 13.559 1.00 15.99 C ATOM 658 C VAL A 71 3.807 -33.355 14.834 1.00 16.37 C ATOM 659 O VAL A 71 5.034 -33.263 14.918 1.00 14.73 O ATOM 660 CB VAL A 71 3.389 -35.377 13.407 1.00 16.73 C ATOM 661 CG1 VAL A 71 2.981 -36.138 14.660 1.00 17.87 C ATOM 662 CG2 VAL A 71 2.631 -35.884 12.194 1.00 17.77 C ATOM 663 H VAL A 71 4.630 -33.347 12.053 1.00 0.00 H ATOM 664 N PHE A 72 2.981 -33.056 15.837 1.00 15.94 N ATOM 665 CA PHE A 72 3.485 -32.652 17.152 1.00 17.63 C ATOM 666 C PHE A 72 3.155 -33.702 18.212 1.00 18.42 C ATOM 667 O PHE A 72 2.038 -34.222 18.252 1.00 18.88 O ATOM 668 CB PHE A 72 2.864 -31.313 17.590 1.00 18.80 C ATOM 669 CG PHE A 72 3.215 -30.149 16.720 1.00 18.52 C ATOM 670 CD1 PHE A 72 4.492 -29.609 16.751 1.00 19.59 C ATOM 671 CD2 PHE A 72 2.279 -29.591 15.867 1.00 19.57 C ATOM 672 CE1 PHE A 72 4.833 -28.519 15.951 1.00 19.16 C ATOM 673 CE2 PHE A 72 2.611 -28.483 15.084 1.00 21.02 C ATOM 674 CZ PHE A 72 3.905 -27.962 15.121 1.00 19.67 C ATOM 675 H PHE A 72 1.954 -33.111 15.682 1.00 0.00 H ATOM 676 N GLU A 73 4.138 -34.019 19.051 1.00 19.55 N ATOM 677 CA GLU A 73 3.951 -34.827 20.252 1.00 20.96 C ATOM 678 C GLU A 73 4.280 -33.909 21.398 1.00 19.33 C ATOM 679 O GLU A 73 5.338 -33.302 21.406 1.00 17.61 O ATOM 680 CB GLU A 73 4.896 -36.048 20.312 1.00 22.86 C ATOM 681 CG GLU A 73 4.697 -36.895 21.571 1.00 25.32 C ATOM 682 CD GLU A 73 5.902 -37.748 21.970 1.00 30.10 C ATOM 683 OE1 GLU A 73 6.575 -38.312 21.074 1.00 34.49 O ATOM 684 OE2 GLU A 73 6.144 -37.887 23.203 1.00 35.77 O ATOM 685 H GLU A 73 5.095 -33.671 18.839 1.00 0.00 H ATOM 686 N PHE A 74 3.377 -33.837 22.375 1.00 18.62 N ATOM 687 CA PHE A 74 3.622 -33.143 23.615 1.00 20.29 C ATOM 688 C PHE A 74 3.727 -34.211 24.717 1.00 22.52 C ATOM 689 O PHE A 74 2.795 -34.985 24.935 1.00 22.74 O ATOM 690 CB PHE A 74 2.512 -32.122 23.888 1.00 20.66 C ATOM 691 CG PHE A 74 2.631 -30.880 23.049 1.00 21.18 C ATOM 692 CD1 PHE A 74 3.419 -29.818 23.460 1.00 21.41 C ATOM 693 CD2 PHE A 74 1.997 -30.800 21.821 1.00 23.53 C ATOM 694 CE1 PHE A 74 3.567 -28.680 22.676 1.00 22.31 C ATOM 695 CE2 PHE A 74 2.146 -29.662 21.024 1.00 23.81 C ATOM 696 CZ PHE A 74 2.934 -28.607 21.458 1.00 22.44 C ATOM 697 H PHE A 74 2.456 -34.301 22.237 1.00 0.00 H ATOM 698 N VAL A 75 4.868 -34.242 25.398 1.00 21.38 N ATOM 699 CA VAL A 75 5.135 -35.255 26.403 1.00 23.38 C ATOM 700 C VAL A 75 3.983 -35.233 27.402 1.00 24.12 C ATOM 701 O VAL A 75 3.584 -34.163 27.887 1.00 24.45 O ATOM 702 CB VAL A 75 6.456 -34.986 27.162 1.00 25.33 C ATOM 703 CG1 VAL A 75 6.612 -35.915 28.375 1.00 26.83 C ATOM 704 CG2 VAL A 75 7.644 -35.180 26.226 1.00 26.41 C ATOM 705 H VAL A 75 5.591 -33.519 25.205 1.00 0.00 H ATOM 706 N GLY A 76 3.431 -36.413 27.644 1.00 27.36 N ATOM 707 CA GLY A 76 2.389 -36.619 28.621 1.00 29.36 C ATOM 708 C GLY A 76 0.995 -36.424 28.095 1.00 29.27 C ATOM 709 O GLY A 76 0.068 -36.655 28.831 1.00 31.15 O ATOM 710 H GLY A 76 3.766 -37.234 27.101 1.00 0.00 H ATOM 711 N GLU A 77 0.839 -35.974 26.845 1.00 27.04 N ATOM 712 CA GLU A 77 -0.457 -35.871 26.199 1.00 26.98 C ATOM 713 C GLU A 77 -0.634 -37.093 25.286 1.00 25.11 C ATOM 714 O GLU A 77 0.236 -37.354 24.478 1.00 22.83 O ATOM 715 CB GLU A 77 -0.542 -34.616 25.311 1.00 31.58 C ATOM 716 CG GLU A 77 -0.385 -33.292 26.040 1.00 37.37 C ATOM 717 CD GLU A 77 -1.688 -32.810 26.653 1.00 44.51 C ATOM 718 OE1 GLU A 77 -2.642 -33.621 26.785 1.00 49.91 O ATOM 719 OE2 GLU A 77 -1.771 -31.605 26.975 1.00 55.25 O ATOM 720 H GLU A 77 1.684 -35.685 26.312 1.00 0.00 H ATOM 721 N PRO A 78 -1.787 -37.785 25.348 1.00 24.46 N ATOM 722 CA PRO A 78 -1.949 -39.018 24.544 1.00 24.41 C ATOM 723 C PRO A 78 -2.107 -38.801 23.058 1.00 23.57 C ATOM 724 O PRO A 78 -1.611 -39.597 22.294 1.00 21.75 O ATOM 725 CB PRO A 78 -3.216 -39.668 25.096 1.00 25.68 C ATOM 726 CG PRO A 78 -3.895 -38.616 25.906 1.00 27.70 C ATOM 727 CD PRO A 78 -2.861 -37.620 26.338 1.00 26.43 C ATOM 728 N GLU A 79 -2.808 -37.739 22.663 1.00 24.03 N ATOM 729 CA GLU A 79 -3.129 -37.498 21.259 1.00 26.83 C ATOM 730 C GLU A 79 -1.956 -36.740 20.565 1.00 23.76 C ATOM 731 O GLU A 79 -1.515 -35.685 21.042 1.00 22.88 O ATOM 732 CB GLU A 79 -4.433 -36.704 21.189 1.00 30.44 C ATOM 733 CG GLU A 79 -5.189 -36.798 19.886 1.00 38.44 C ATOM 734 CD GLU A 79 -6.012 -38.070 19.704 1.00 44.99 C ATOM 735 OE1 GLU A 79 -6.100 -38.888 20.648 1.00 49.54 O ATOM 736 OE2 GLU A 79 -6.579 -38.245 18.591 1.00 51.83 O ATOM 737 H GLU A 79 -3.137 -37.059 23.378 1.00 0.00 H ATOM 738 N LEU A 80 -1.454 -37.285 19.459 1.00 21.22 N ATOM 739 CA LEU A 80 -0.546 -36.518 18.593 1.00 21.15 C ATOM 740 C LEU A 80 -1.363 -35.484 17.801 1.00 21.60 C ATOM 741 O LEU A 80 -2.530 -35.702 17.548 1.00 21.32 O ATOM 742 CB LEU A 80 0.161 -37.471 17.610 1.00 21.60 C ATOM 743 CG LEU A 80 1.104 -38.545 18.160 1.00 21.61 C ATOM 744 CD1 LEU A 80 1.584 -39.474 17.046 1.00 22.66 C ATOM 745 CD2 LEU A 80 2.263 -37.910 18.895 1.00 21.20 C ATOM 746 H LEU A 80 -1.706 -38.262 19.205 1.00 0.00 H ATOM 747 N MET A 81 -0.747 -34.381 17.400 1.00 21.55 N ATOM 748 CA MET A 81 -1.428 -33.397 16.600 1.00 21.43 C ATOM 749 C MET A 81 -0.915 -33.558 15.184 1.00 21.52 C ATOM 750 O MET A 81 0.285 -33.511 14.952 1.00 21.20 O ATOM 751 CB MET A 81 -1.108 -31.996 17.050 1.00 23.73 C ATOM 752 CG MET A 81 -1.513 -31.654 18.450 1.00 26.93 C ATOM 753 SD MET A 81 -0.991 -29.975 18.891 1.00 31.58 S ATOM 754 CE MET A 81 -1.640 -28.917 17.594 1.00 34.15 C ATOM 755 H MET A 81 0.246 -34.224 17.668 1.00 0.00 H ATOM 756 N ASP A 82 -1.835 -33.725 14.253 1.00 20.73 N ATOM 757 CA ASP A 82 -1.518 -33.827 12.864 1.00 22.00 C ATOM 758 C ASP A 82 -1.992 -32.563 12.160 1.00 19.96 C ATOM 759 O ASP A 82 -3.200 -32.403 11.870 1.00 21.18 O ATOM 760 CB ASP A 82 -2.184 -35.068 12.316 1.00 24.35 C ATOM 761 CG ASP A 82 -2.012 -35.221 10.828 1.00 29.05 C ATOM 762 OD1 ASP A 82 -1.128 -34.563 10.213 1.00 32.21 O ATOM 763 OD2 ASP A 82 -2.789 -36.029 10.267 1.00 33.12 O ATOM 764 H ASP A 82 -2.832 -33.785 14.542 1.00 0.00 H ATOM 765 N VAL A 83 -1.043 -31.674 11.900 1.00 17.94 N ATOM 766 CA VAL A 83 -1.341 -30.336 11.427 1.00 17.66 C ATOM 767 C VAL A 83 -1.133 -30.247 9.960 1.00 16.75 C ATOM 768 O VAL A 83 -0.012 -30.444 9.484 1.00 16.99 O ATOM 769 CB VAL A 83 -0.494 -29.272 12.134 1.00 17.66 C ATOM 770 CG1 VAL A 83 -0.953 -27.860 11.738 1.00 18.77 C ATOM 771 CG2 VAL A 83 -0.616 -29.492 13.625 1.00 17.83 C ATOM 772 H VAL A 83 -0.049 -31.946 12.040 1.00 0.00 H ATOM 773 N HIS A 84 -2.212 -29.968 9.240 1.00 16.38 N ATOM 774 CA HIS A 84 -2.127 -29.709 7.804 1.00 16.45 C ATOM 775 C HIS A 84 -1.962 -28.217 7.532 1.00 15.98 C ATOM 776 O HIS A 84 -2.799 -27.425 7.914 1.00 16.01 O ATOM 777 CB HIS A 84 -3.384 -30.244 7.131 1.00 18.96 C ATOM 778 CG HIS A 84 -3.438 -31.723 7.117 1.00 20.26 C ATOM 779 ND1 HIS A 84 -3.599 -32.476 8.266 1.00 23.44 N ATOM 780 CD2 HIS A 84 -3.354 -32.596 6.095 1.00 21.23 C ATOM 781 CE1 HIS A 84 -3.590 -33.757 7.945 1.00 22.68 C ATOM 782 NE2 HIS A 84 -3.429 -33.858 6.637 1.00 24.76 N ATOM 783 H HIS A 84 -3.140 -29.933 9.708 1.00 0.00 H ATOM 784 N VAL A 85 -0.865 -27.836 6.875 1.00 16.50 N ATOM 785 CA VAL A 85 -0.471 -26.463 6.728 1.00 16.08 C ATOM 786 C VAL A 85 -0.814 -26.026 5.302 1.00 16.71 C ATOM 787 O VAL A 85 -0.456 -26.704 4.312 1.00 15.54 O ATOM 788 CB VAL A 85 1.018 -26.258 6.948 1.00 15.91 C ATOM 789 CG1 VAL A 85 1.377 -24.786 6.947 1.00 16.51 C ATOM 790 CG2 VAL A 85 1.434 -26.900 8.254 1.00 17.12 C ATOM 791 H VAL A 85 -0.265 -28.570 6.448 1.00 0.00 H ATOM 792 N PHE A 86 -1.507 -24.908 5.210 1.00 16.79 N ATOM 793 CA PHE A 86 -1.869 -24.335 3.914 1.00 19.21 C ATOM 794 C PHE A 86 -1.357 -22.914 3.757 1.00 20.33 C ATOM 795 O PHE A 86 -1.083 -22.207 4.752 1.00 21.56 O ATOM 796 CB PHE A 86 -3.392 -24.283 3.768 1.00 19.04 C ATOM 797 CG PHE A 86 -4.082 -25.607 3.854 1.00 21.84 C ATOM 798 CD1 PHE A 86 -4.410 -26.163 5.082 1.00 22.19 C ATOM 799 CD2 PHE A 86 -4.535 -26.259 2.698 1.00 24.28 C ATOM 800 CE1 PHE A 86 -5.091 -27.379 5.161 1.00 23.74 C ATOM 801 CE2 PHE A 86 -5.212 -27.477 2.783 1.00 24.76 C ATOM 802 CZ PHE A 86 -5.503 -28.030 4.021 1.00 22.64 C ATOM 803 H PHE A 86 -1.803 -24.422 6.080 1.00 0.00 H ATOM 804 N CYS A 87 -1.236 -22.494 2.500 1.00 21.54 N ATOM 805 CA CYS A 87 -0.964 -21.121 2.136 1.00 23.40 C ATOM 806 C CYS A 87 -2.026 -20.595 1.215 1.00 24.23 C ATOM 807 O CYS A 87 -2.691 -21.345 0.501 1.00 22.01 O ATOM 808 CB CYS A 87 0.363 -20.985 1.402 1.00 27.86 C ATOM 809 SG CYS A 87 1.681 -20.660 2.563 1.00 38.83 S ATOM 810 H CYS A 87 -1.343 -23.192 1.737 1.00 0.00 H ATOM 811 N THR A 88 -2.150 -19.284 1.248 1.00 26.76 N ATOM 812 CA THR A 88 -2.947 -18.516 0.291 1.00 29.62 C ATOM 813 C THR A 88 -2.368 -17.100 0.094 1.00 34.01 C ATOM 814 O THR A 88 -1.711 -16.555 0.998 1.00 29.29 O ATOM 815 CB THR A 88 -4.425 -18.408 0.725 1.00 31.24 C ATOM 816 OG1 THR A 88 -5.144 -17.575 -0.198 1.00 33.82 O ATOM 817 CG2 THR A 88 -4.574 -17.842 2.142 1.00 30.78 C ATOM 818 HG1 THR A 88 -5.097 -17.971 -1.104 1.00 0.00 H ATOM 819 H THR A 88 -1.652 -18.764 1.999 1.00 0.00 H ATOM 820 N ASP A 89 -2.617 -16.554 -1.108 1.00 36.63 N ATOM 821 CA ASP A 89 -2.344 -15.163 -1.504 1.00 38.39 C ATOM 822 C ASP A 89 -3.558 -14.610 -2.317 1.00 38.01 C ATOM 823 O ASP A 89 -3.404 -13.845 -3.261 1.00 42.49 O ATOM 824 CB ASP A 89 -1.047 -15.138 -2.343 1.00 41.56 C ATOM 825 CG ASP A 89 -0.606 -13.727 -2.747 1.00 45.56 C ATOM 826 OD1 ASP A 89 -1.068 -12.739 -2.150 1.00 43.60 O ATOM 827 OD2 ASP A 89 0.213 -13.606 -3.687 1.00 48.37 O ATOM 828 H ASP A 89 -3.043 -17.173 -1.827 1.00 0.00 H ATOM 829 N SER A 90 -4.765 -14.990 -1.932 1.00 35.28 N ATOM 830 CA SER A 90 -5.977 -14.541 -2.608 1.00 34.63 C ATOM 831 C SER A 90 -7.013 -14.257 -1.559 1.00 31.21 C ATOM 832 O SER A 90 -8.142 -14.746 -1.652 1.00 32.16 O ATOM 833 CB SER A 90 -6.482 -15.620 -3.598 1.00 35.49 C ATOM 834 OG SER A 90 -6.855 -16.848 -2.923 1.00 36.65 O ATOM 835 HG SER A 90 -7.579 -16.660 -2.275 1.00 0.00 H ATOM 836 H SER A 90 -4.853 -15.632 -1.118 1.00 0.00 H ATOM 837 N ILE A 91 -6.657 -13.438 -0.568 1.00 29.38 N ATOM 838 CA ILE A 91 -7.645 -13.085 0.435 1.00 28.90 C ATOM 839 C ILE A 91 -8.713 -12.146 -0.104 1.00 29.54 C ATOM 840 O ILE A 91 -8.501 -11.431 -1.074 1.00 25.94 O ATOM 841 CB ILE A 91 -7.051 -12.511 1.727 1.00 30.99 C ATOM 842 CG1 ILE A 91 -6.287 -11.199 1.494 1.00 32.29 C ATOM 843 CG2 ILE A 91 -6.179 -13.550 2.380 1.00 31.46 C ATOM 844 CD1 ILE A 91 -5.872 -10.552 2.802 1.00 31.92 C ATOM 845 H ILE A 91 -5.690 -13.060 -0.515 1.00 0.00 H ATOM 846 N GLN A 92 -9.868 -12.198 0.550 1.00 27.48 N ATOM 847 CA GLN A 92 -11.029 -11.386 0.229 1.00 30.38 C ATOM 848 C GLN A 92 -11.514 -10.839 1.561 1.00 33.26 C ATOM 849 O GLN A 92 -11.867 -11.620 2.493 1.00 37.39 O ATOM 850 CB GLN A 92 -12.130 -12.253 -0.380 1.00 29.39 C ATOM 851 CG GLN A 92 -11.705 -13.101 -1.581 1.00 29.90 C ATOM 852 CD GLN A 92 -12.589 -14.330 -1.803 1.00 30.96 C ATOM 853 OE1 GLN A 92 -13.434 -14.673 -0.971 1.00 28.95 O ATOM 854 NE2 GLN A 92 -12.376 -15.016 -2.936 1.00 32.65 N ATOM 855 HE22 GLN A 92 -11.654 -14.693 -3.611 1.00 0.00 H ATOM 856 HE21 GLN A 92 -12.933 -15.871 -3.139 1.00 0.00 H ATOM 857 H GLN A 92 -9.946 -12.864 1.345 1.00 0.00 H ATOM 858 N GLY A 93 -11.493 -9.522 1.675 1.00 32.79 N ATOM 859 CA GLY A 93 -11.771 -8.820 2.951 1.00 32.72 C ATOM 860 C GLY A 93 -10.540 -8.211 3.604 1.00 31.62 C ATOM 861 O GLY A 93 -9.418 -8.419 3.146 1.00 32.80 O ATOM 862 H GLY A 93 -11.272 -8.953 0.833 1.00 0.00 H ATOM 863 N THR A 94 -10.767 -7.469 4.690 1.00 32.62 N ATOM 864 CA THR A 94 -9.717 -6.934 5.555 1.00 34.91 C ATOM 865 C THR A 94 -9.686 -7.774 6.841 1.00 30.59 C ATOM 866 O THR A 94 -10.742 -8.127 7.373 1.00 29.59 O ATOM 867 CB THR A 94 -9.981 -5.474 5.996 1.00 38.26 C ATOM 868 OG1 THR A 94 -10.570 -4.744 4.924 1.00 43.04 O ATOM 869 CG2 THR A 94 -8.679 -4.783 6.444 1.00 37.89 C ATOM 870 HG1 THR A 94 -10.736 -3.812 5.213 1.00 0.00 H ATOM 871 H THR A 94 -11.755 -7.258 4.937 1.00 0.00 H ATOM 872 N PRO A 95 -8.483 -8.083 7.343 1.00 28.33 N ATOM 873 CA PRO A 95 -8.447 -8.821 8.603 1.00 28.25 C ATOM 874 C PRO A 95 -9.039 -8.009 9.746 1.00 28.06 C ATOM 875 O PRO A 95 -8.816 -6.812 9.784 1.00 29.26 O ATOM 876 CB PRO A 95 -6.951 -9.045 8.858 1.00 29.56 C ATOM 877 CG PRO A 95 -6.233 -8.669 7.603 1.00 28.54 C ATOM 878 CD PRO A 95 -7.147 -7.852 6.762 1.00 27.63 C ATOM 879 N VAL A 96 -9.738 -8.664 10.671 1.00 27.73 N ATOM 880 CA VAL A 96 -10.236 -8.021 11.890 1.00 28.01 C ATOM 881 C VAL A 96 -9.997 -8.896 13.101 1.00 26.63 C ATOM 882 O VAL A 96 -9.921 -10.121 13.006 1.00 26.67 O ATOM 883 CB VAL A 96 -11.739 -7.687 11.808 1.00 29.95 C ATOM 884 CG1 VAL A 96 -11.972 -6.674 10.701 1.00 33.00 C ATOM 885 CG2 VAL A 96 -12.575 -8.934 11.551 1.00 31.52 C ATOM 886 H VAL A 96 -9.939 -9.674 10.522 1.00 0.00 H ATOM 887 N GLU A 97 -9.888 -8.246 14.238 1.00 25.56 N ATOM 888 CA GLU A 97 -9.690 -8.922 15.491 1.00 25.43 C ATOM 889 C GLU A 97 -10.915 -9.753 15.884 1.00 24.68 C ATOM 890 O GLU A 97 -12.068 -9.359 15.689 1.00 23.33 O ATOM 891 CB GLU A 97 -9.333 -7.893 16.558 1.00 25.99 C ATOM 892 CG GLU A 97 -8.970 -8.479 17.915 1.00 27.49 C ATOM 893 CD GLU A 97 -8.323 -7.457 18.849 1.00 32.88 C ATOM 894 OE1 GLU A 97 -8.194 -6.272 18.456 1.00 35.50 O ATOM 895 OE2 GLU A 97 -7.950 -7.826 19.987 1.00 32.66 O ATOM 896 H GLU A 97 -9.947 -7.208 14.231 1.00 0.00 H ATOM 897 N SER A 98 -10.635 -10.933 16.414 1.00 24.68 N ATOM 898 CA SER A 98 -11.627 -11.828 16.932 1.00 25.56 C ATOM 899 C SER A 98 -11.358 -12.030 18.402 1.00 27.08 C ATOM 900 O SER A 98 -10.340 -11.565 18.967 1.00 25.12 O ATOM 901 CB SER A 98 -11.545 -13.195 16.202 1.00 26.51 C ATOM 902 OG SER A 98 -10.299 -13.851 16.480 1.00 24.81 O ATOM 903 HG SER A 98 -9.551 -13.280 16.172 1.00 0.00 H ATOM 904 H SER A 98 -9.638 -11.227 16.457 1.00 0.00 H ATOM 905 N ASP A 99 -12.258 -12.786 19.007 1.00 29.34 N ATOM 906 CA ASP A 99 -12.079 -13.270 20.374 1.00 33.36 C ATOM 907 C ASP A 99 -10.734 -14.011 20.550 1.00 31.30 C ATOM 908 O ASP A 99 -10.044 -13.851 21.567 1.00 28.30 O ATOM 909 CB ASP A 99 -13.270 -14.172 20.736 1.00 43.01 C ATOM 910 CG ASP A 99 -13.667 -14.063 22.188 1.00 51.98 C ATOM 911 OD1 ASP A 99 -12.797 -14.378 23.033 1.00 62.64 O ATOM 912 OD2 ASP A 99 -14.845 -13.675 22.479 1.00 60.01 O ATOM 913 H ASP A 99 -13.124 -13.045 18.492 1.00 0.00 H ATOM 914 N GLU A 100 -10.337 -14.767 19.535 1.00 28.55 N ATOM 915 CA GLU A 100 -9.171 -15.616 19.631 1.00 30.09 C ATOM 916 C GLU A 100 -7.861 -14.991 19.143 1.00 28.51 C ATOM 917 O GLU A 100 -6.795 -15.321 19.665 1.00 24.22 O ATOM 918 CB GLU A 100 -9.443 -16.890 18.838 1.00 34.01 C ATOM 919 CG GLU A 100 -8.409 -17.964 19.107 1.00 40.13 C ATOM 920 CD GLU A 100 -8.685 -19.260 18.385 1.00 46.02 C ATOM 921 OE1 GLU A 100 -9.685 -19.355 17.631 1.00 54.88 O ATOM 922 OE2 GLU A 100 -7.887 -20.196 18.581 1.00 49.39 O ATOM 923 H GLU A 100 -10.879 -14.748 18.647 1.00 0.00 H ATOM 924 N MET A 101 -7.933 -14.136 18.123 1.00 25.71 N ATOM 925 CA MET A 101 -6.730 -13.681 17.417 1.00 26.34 C ATOM 926 C MET A 101 -6.764 -12.186 17.114 1.00 24.37 C ATOM 927 O MET A 101 -7.817 -11.643 16.771 1.00 22.73 O ATOM 928 CB MET A 101 -6.606 -14.431 16.108 1.00 27.46 C ATOM 929 CG MET A 101 -6.379 -15.918 16.263 1.00 30.07 C ATOM 930 SD MET A 101 -4.676 -16.287 16.695 1.00 32.36 S ATOM 931 CE MET A 101 -4.030 -16.572 15.059 1.00 33.52 C ATOM 932 H MET A 101 -8.863 -13.783 17.821 1.00 0.00 H ATOM 933 N ARG A 102 -5.611 -11.546 17.268 1.00 20.95 N ATOM 934 CA ARG A 102 -5.405 -10.155 16.881 1.00 22.80 C ATOM 935 C ARG A 102 -4.439 -10.110 15.685 1.00 22.82 C ATOM 936 O ARG A 102 -3.244 -10.279 15.857 1.00 20.11 O ATOM 937 CB ARG A 102 -4.840 -9.338 18.034 1.00 23.28 C ATOM 938 CG ARG A 102 -4.410 -7.923 17.653 1.00 25.10 C ATOM 939 CD ARG A 102 -4.187 -7.031 18.854 1.00 25.42 C ATOM 940 NE ARG A 102 -3.108 -7.497 19.709 1.00 26.55 N ATOM 941 CZ ARG A 102 -1.803 -7.256 19.540 1.00 26.89 C ATOM 942 NH1 ARG A 102 -0.949 -7.783 20.403 1.00 27.79 N ATOM 943 NH2 ARG A 102 -1.332 -6.509 18.540 1.00 29.02 N ATOM 944 HE ARG A 102 -3.376 -8.074 20.532 1.00 0.00 H ATOM 945 HH12 ARG A 102 0.071 -7.612 20.295 1.00 0.00 H ATOM 946 HH11 ARG A 102 -1.298 -8.368 21.189 1.00 0.00 H ATOM 947 HH22 ARG A 102 -0.309 -6.349 18.448 1.00 0.00 H ATOM 948 HH21 ARG A 102 -1.988 -6.087 17.852 1.00 0.00 H ATOM 949 H ARG A 102 -4.812 -12.064 17.687 1.00 0.00 H ATOM 950 N PRO A 103 -4.954 -9.843 14.481 1.00 23.76 N ATOM 951 CA PRO A 103 -4.111 -9.961 13.303 1.00 23.22 C ATOM 952 C PRO A 103 -3.215 -8.757 13.045 1.00 23.55 C ATOM 953 O PRO A 103 -3.578 -7.637 13.350 1.00 24.34 O ATOM 954 CB PRO A 103 -5.117 -10.131 12.152 1.00 25.12 C ATOM 955 CG PRO A 103 -6.482 -10.079 12.778 1.00 27.29 C ATOM 956 CD PRO A 103 -6.336 -9.486 14.135 1.00 25.10 C ATOM 957 N CYS A 104 -2.083 -9.012 12.404 1.00 23.57 N ATOM 958 CA CYS A 104 -1.111 -8.002 12.107 1.00 23.48 C ATOM 959 C CYS A 104 -0.213 -8.489 10.958 1.00 22.06 C ATOM 960 O CYS A 104 0.188 -9.648 10.954 1.00 19.91 O ATOM 961 CB CYS A 104 -0.264 -7.767 13.338 1.00 25.53 C ATOM 962 SG CYS A 104 0.552 -6.179 13.313 1.00 30.28 S ATOM 963 H CYS A 104 -1.892 -9.989 12.103 1.00 0.00 H ATOM 964 N TRP A 105 0.092 -7.603 10.006 1.00 20.29 N ATOM 965 CA TRP A 105 1.007 -7.910 8.885 1.00 20.44 C ATOM 966 C TRP A 105 2.475 -7.757 9.294 1.00 20.99 C ATOM 967 O TRP A 105 2.834 -6.825 10.024 1.00 21.36 O ATOM 968 CB TRP A 105 0.711 -7.001 7.689 1.00 21.43 C ATOM 969 CG TRP A 105 -0.590 -7.216 6.990 1.00 19.62 C ATOM 970 CD1 TRP A 105 -1.702 -6.418 7.068 1.00 21.10 C ATOM 971 CD2 TRP A 105 -0.907 -8.244 6.053 1.00 20.10 C ATOM 972 NE1 TRP A 105 -2.689 -6.893 6.237 1.00 19.68 N ATOM 973 CE2 TRP A 105 -2.234 -8.015 5.611 1.00 19.46 C ATOM 974 CE3 TRP A 105 -0.220 -9.378 5.575 1.00 19.87 C ATOM 975 CZ2 TRP A 105 -2.878 -8.864 4.694 1.00 19.71 C ATOM 976 CZ3 TRP A 105 -0.853 -10.199 4.672 1.00 19.56 C ATOM 977 CH2 TRP A 105 -2.169 -9.938 4.239 1.00 19.13 C ATOM 978 HE1 TRP A 105 -3.629 -6.466 6.107 1.00 0.00 H ATOM 979 H TRP A 105 -0.333 -6.655 10.055 1.00 0.00 H ATOM 980 N PHE A 106 3.331 -8.683 8.859 1.00 19.73 N ATOM 981 CA PHE A 106 4.761 -8.585 9.112 1.00 20.26 C ATOM 982 C PHE A 106 5.483 -8.637 7.807 1.00 21.12 C ATOM 983 O PHE A 106 5.148 -9.445 6.982 1.00 21.06 O ATOM 984 CB PHE A 106 5.258 -9.719 9.995 1.00 20.44 C ATOM 985 CG PHE A 106 4.741 -9.621 11.386 1.00 19.71 C ATOM 986 CD1 PHE A 106 3.473 -10.048 11.670 1.00 20.22 C ATOM 987 CD2 PHE A 106 5.492 -9.010 12.376 1.00 20.25 C ATOM 988 CE1 PHE A 106 2.955 -9.949 12.956 1.00 21.69 C ATOM 989 CE2 PHE A 106 4.996 -8.917 13.670 1.00 21.58 C ATOM 990 CZ PHE A 106 3.720 -9.370 13.957 1.00 20.68 C ATOM 991 H PHE A 106 2.967 -9.497 8.324 1.00 0.00 H ATOM 992 N GLN A 107 6.487 -7.793 7.657 1.00 23.97 N ATOM 993 CA GLN A 107 7.443 -7.924 6.554 1.00 26.53 C ATOM 994 C GLN A 107 8.224 -9.237 6.722 1.00 25.94 C ATOM 995 O GLN A 107 8.504 -9.690 7.847 1.00 24.02 O ATOM 996 CB GLN A 107 8.391 -6.716 6.500 1.00 30.71 C ATOM 997 CG GLN A 107 7.698 -5.370 6.322 1.00 34.24 C ATOM 998 CD GLN A 107 7.033 -5.239 4.968 1.00 40.91 C ATOM 999 OE1 GLN A 107 7.709 -5.025 3.968 1.00 51.89 O ATOM 1000 NE2 GLN A 107 5.714 -5.382 4.918 1.00 42.34 N ATOM 1001 HE22 GLN A 107 5.177 -5.563 5.790 1.00 0.00 H ATOM 1002 HE21 GLN A 107 5.218 -5.313 4.007 1.00 0.00 H ATOM 1003 H GLN A 107 6.602 -7.016 8.338 1.00 0.00 H ATOM 1004 N LEU A 108 8.596 -9.832 5.594 1.00 25.02 N ATOM 1005 CA LEU A 108 9.208 -11.162 5.576 1.00 27.54 C ATOM 1006 C LEU A 108 10.614 -11.142 6.162 1.00 28.71 C ATOM 1007 O LEU A 108 11.105 -12.175 6.534 1.00 30.08 O ATOM 1008 CB LEU A 108 9.243 -11.747 4.170 1.00 26.82 C ATOM 1009 CG LEU A 108 7.891 -11.822 3.462 1.00 26.48 C ATOM 1010 CD1 LEU A 108 8.015 -12.510 2.101 1.00 27.54 C ATOM 1011 CD2 LEU A 108 6.846 -12.544 4.308 1.00 25.87 C ATOM 1012 H LEU A 108 8.447 -9.336 4.692 1.00 0.00 H ATOM 1013 N ASP A 109 11.240 -9.975 6.261 1.00 30.20 N ATOM 1014 CA ASP A 109 12.483 -9.878 7.021 1.00 33.17 C ATOM 1015 C ASP A 109 12.267 -9.398 8.453 1.00 32.02 C ATOM 1016 O ASP A 109 13.239 -9.174 9.144 1.00 32.42 O ATOM 1017 CB ASP A 109 13.549 -9.041 6.280 1.00 36.23 C ATOM 1018 CG ASP A 109 13.102 -7.615 5.959 1.00 38.50 C ATOM 1019 OD1 ASP A 109 12.042 -7.161 6.420 1.00 43.29 O ATOM 1020 OD2 ASP A 109 13.832 -6.929 5.212 1.00 44.90 O ATOM 1021 H ASP A 109 10.846 -9.131 5.798 1.00 0.00 H ATOM 1022 N GLN A 110 11.011 -9.270 8.903 1.00 30.90 N ATOM 1023 CA GLN A 110 10.695 -8.885 10.278 1.00 29.88 C ATOM 1024 C GLN A 110 9.753 -9.860 11.003 1.00 27.77 C ATOM 1025 O GLN A 110 8.910 -9.459 11.819 1.00 30.25 O ATOM 1026 CB GLN A 110 10.112 -7.489 10.284 1.00 33.47 C ATOM 1027 CG GLN A 110 10.987 -6.486 9.547 1.00 37.87 C ATOM 1028 CD GLN A 110 10.599 -5.048 9.817 1.00 39.15 C ATOM 1029 OE1 GLN A 110 9.427 -4.697 9.816 1.00 41.82 O ATOM 1030 NE2 GLN A 110 11.591 -4.211 10.054 1.00 41.15 N ATOM 1031 HE22 GLN A 110 12.573 -4.553 10.045 1.00 0.00 H ATOM 1032 HE21 GLN A 110 11.391 -3.209 10.250 1.00 0.00 H ATOM 1033 H GLN A 110 10.226 -9.453 8.245 1.00 0.00 H ATOM 1034 N ILE A 111 9.910 -11.142 10.716 1.00 26.16 N ATOM 1035 CA ILE A 111 9.086 -12.164 11.319 1.00 24.35 C ATOM 1036 C ILE A 111 9.447 -12.279 12.799 1.00 23.40 C ATOM 1037 O ILE A 111 10.625 -12.408 13.138 1.00 20.79 O ATOM 1038 CB ILE A 111 9.302 -13.493 10.606 1.00 23.93 C ATOM 1039 CG1 ILE A 111 8.831 -13.345 9.164 1.00 23.79 C ATOM 1040 CG2 ILE A 111 8.567 -14.616 11.320 1.00 23.48 C ATOM 1041 CD1 ILE A 111 9.425 -14.364 8.236 1.00 23.48 C ATOM 1042 H ILE A 111 10.647 -11.422 10.038 1.00 0.00 H ATOM 1043 N PRO A 112 8.440 -12.207 13.689 1.00 22.32 N ATOM 1044 CA PRO A 112 8.743 -12.105 15.123 1.00 22.80 C ATOM 1045 C PRO A 112 9.054 -13.450 15.791 1.00 23.94 C ATOM 1046 O PRO A 112 8.329 -13.877 16.702 1.00 22.49 O ATOM 1047 CB PRO A 112 7.486 -11.436 15.660 1.00 23.06 C ATOM 1048 CG PRO A 112 6.388 -11.976 14.792 1.00 22.29 C ATOM 1049 CD PRO A 112 6.991 -12.090 13.428 1.00 22.84 C ATOM 1050 N PHE A 113 10.144 -14.101 15.360 1.00 23.00 N ATOM 1051 CA PHE A 113 10.475 -15.478 15.790 1.00 23.71 C ATOM 1052 C PHE A 113 10.580 -15.624 17.311 1.00 24.98 C ATOM 1053 O PHE A 113 10.071 -16.583 17.873 1.00 22.80 O ATOM 1054 CB PHE A 113 11.737 -16.036 15.100 1.00 24.14 C ATOM 1055 CG PHE A 113 11.511 -16.443 13.664 1.00 24.63 C ATOM 1056 CD1 PHE A 113 10.686 -17.538 13.351 1.00 24.30 C ATOM 1057 CD2 PHE A 113 12.090 -15.724 12.627 1.00 25.06 C ATOM 1058 CE1 PHE A 113 10.457 -17.907 12.042 1.00 24.02 C ATOM 1059 CE2 PHE A 113 11.863 -16.083 11.310 1.00 25.29 C ATOM 1060 CZ PHE A 113 11.049 -17.174 11.016 1.00 25.66 C ATOM 1061 H PHE A 113 10.783 -13.619 14.696 1.00 0.00 H ATOM 1062 N LYS A 114 11.147 -14.634 17.986 1.00 27.70 N ATOM 1063 CA LYS A 114 11.226 -14.685 19.446 1.00 29.45 C ATOM 1064 C LYS A 114 9.841 -14.736 20.153 1.00 28.09 C ATOM 1065 O LYS A 114 9.755 -15.239 21.283 1.00 26.89 O ATOM 1066 CB LYS A 114 12.124 -13.555 19.989 1.00 33.15 C ATOM 1067 CG LYS A 114 11.513 -12.159 19.984 1.00 39.01 C ATOM 1068 CD LYS A 114 12.478 -11.124 20.575 1.00 44.79 C ATOM 1069 CE LYS A 114 11.728 -10.075 21.391 1.00 48.48 C ATOM 1070 NZ LYS A 114 10.664 -9.413 20.573 1.00 53.39 N ATOM 1071 HZ1 LYS A 114 11.100 -8.947 19.752 1.00 0.00 H ATOM 1072 HZ2 LYS A 114 9.984 -10.129 20.246 1.00 0.00 H ATOM 1073 HZ3 LYS A 114 10.172 -8.705 21.154 1.00 0.00 H ATOM 1074 H LYS A 114 11.538 -13.817 17.475 1.00 0.00 H ATOM 1075 N ASP A 115 8.780 -14.246 19.513 1.00 25.37 N ATOM 1076 CA ASP A 115 7.425 -14.373 20.058 1.00 25.29 C ATOM 1077 C ASP A 115 6.558 -15.400 19.285 1.00 22.50 C ATOM 1078 O ASP A 115 5.332 -15.234 19.185 1.00 20.71 O ATOM 1079 CB ASP A 115 6.711 -13.014 20.064 1.00 28.84 C ATOM 1080 CG ASP A 115 7.343 -11.992 20.988 1.00 32.25 C ATOM 1081 OD1 ASP A 115 7.914 -12.341 22.027 1.00 35.31 O ATOM 1082 OD2 ASP A 115 7.233 -10.789 20.676 1.00 41.09 O ATOM 1083 H ASP A 115 8.917 -13.761 18.603 1.00 0.00 H ATOM 1084 N MET A 116 7.195 -16.453 18.762 1.00 20.11 N ATOM 1085 CA MET A 116 6.515 -17.523 18.052 1.00 19.12 C ATOM 1086 C MET A 116 6.841 -18.878 18.655 1.00 18.15 C ATOM 1087 O MET A 116 7.772 -19.007 19.429 1.00 19.37 O ATOM 1088 CB MET A 116 6.926 -17.447 16.586 1.00 19.64 C ATOM 1089 CG MET A 116 6.154 -16.369 15.854 1.00 20.65 C ATOM 1090 SD MET A 116 6.944 -15.855 14.318 1.00 23.39 S ATOM 1091 CE MET A 116 6.342 -17.085 13.185 1.00 22.35 C ATOM 1092 H MET A 116 8.228 -16.509 18.869 1.00 0.00 H ATOM 1093 N TRP A 117 6.091 -19.905 18.293 1.00 18.27 N ATOM 1094 CA TRP A 117 6.482 -21.269 18.642 1.00 18.04 C ATOM 1095 C TRP A 117 7.933 -21.533 18.160 1.00 18.37 C ATOM 1096 O TRP A 117 8.315 -21.064 17.119 1.00 17.49 O ATOM 1097 CB TRP A 117 5.529 -22.265 18.044 1.00 18.90 C ATOM 1098 CG TRP A 117 4.214 -22.370 18.743 1.00 18.66 C ATOM 1099 CD1 TRP A 117 3.092 -21.646 18.512 1.00 19.14 C ATOM 1100 CD2 TRP A 117 3.907 -23.286 19.761 1.00 20.35 C ATOM 1101 NE1 TRP A 117 2.087 -22.048 19.351 1.00 19.98 N ATOM 1102 CE2 TRP A 117 2.569 -23.059 20.138 1.00 21.05 C ATOM 1103 CE3 TRP A 117 4.650 -24.272 20.425 1.00 21.46 C ATOM 1104 CZ2 TRP A 117 1.936 -23.801 21.128 1.00 22.46 C ATOM 1105 CZ3 TRP A 117 4.018 -25.016 21.435 1.00 23.35 C ATOM 1106 CH2 TRP A 117 2.677 -24.783 21.761 1.00 22.65 C ATOM 1107 HE1 TRP A 117 1.125 -21.654 19.384 1.00 0.00 H ATOM 1108 H TRP A 117 5.216 -19.741 17.756 1.00 0.00 H ATOM 1109 N PRO A 118 8.762 -22.217 18.951 1.00 19.36 N ATOM 1110 CA PRO A 118 10.185 -22.406 18.560 1.00 20.43 C ATOM 1111 C PRO A 118 10.406 -23.283 17.342 1.00 19.32 C ATOM 1112 O PRO A 118 11.407 -23.098 16.681 1.00 22.18 O ATOM 1113 CB PRO A 118 10.833 -23.080 19.774 1.00 21.35 C ATOM 1114 CG PRO A 118 9.726 -23.486 20.641 1.00 21.15 C ATOM 1115 CD PRO A 118 8.456 -22.807 20.249 1.00 21.05 C ATOM 1116 N ASP A 119 9.480 -24.191 17.033 1.00 18.74 N ATOM 1117 CA ASP A 119 9.584 -24.988 15.807 1.00 18.80 C ATOM 1118 C ASP A 119 9.477 -24.129 14.531 1.00 19.18 C ATOM 1119 O ASP A 119 10.039 -24.516 13.490 1.00 17.31 O ATOM 1120 CB ASP A 119 8.549 -26.097 15.750 1.00 19.04 C ATOM 1121 CG ASP A 119 7.107 -25.565 15.834 1.00 19.40 C ATOM 1122 OD1 ASP A 119 6.705 -25.064 16.906 1.00 19.32 O ATOM 1123 OD2 ASP A 119 6.376 -25.648 14.822 1.00 19.05 O ATOM 1124 H ASP A 119 8.672 -24.336 17.671 1.00 0.00 H ATOM 1125 N ASP A 120 8.812 -22.974 14.633 1.00 18.02 N ATOM 1126 CA ASP A 120 8.624 -22.051 13.478 1.00 19.87 C ATOM 1127 C ASP A 120 9.946 -21.643 12.801 1.00 19.54 C ATOM 1128 O ASP A 120 9.977 -21.531 11.602 1.00 20.26 O ATOM 1129 CB ASP A 120 7.861 -20.802 13.892 1.00 20.55 C ATOM 1130 CG ASP A 120 6.408 -21.102 14.292 1.00 20.75 C ATOM 1131 OD1 ASP A 120 6.014 -22.284 14.247 1.00 20.53 O ATOM 1132 OD2 ASP A 120 5.675 -20.169 14.648 1.00 24.06 O ATOM 1133 H ASP A 120 8.410 -22.709 15.555 1.00 0.00 H ATOM 1134 N SER A 121 11.021 -21.482 13.575 1.00 19.90 N ATOM 1135 CA SER A 121 12.348 -21.163 13.035 1.00 22.42 C ATOM 1136 C SER A 121 12.878 -22.214 12.073 1.00 20.90 C ATOM 1137 O SER A 121 13.655 -21.870 11.166 1.00 22.33 O ATOM 1138 CB SER A 121 13.379 -21.053 14.171 1.00 24.70 C ATOM 1139 OG SER A 121 12.994 -20.053 15.052 1.00 32.35 O ATOM 1140 HG SER A 121 12.107 -20.273 15.432 1.00 0.00 H ATOM 1141 H SER A 121 10.914 -21.587 14.604 1.00 0.00 H ATOM 1142 N TYR A 122 12.459 -23.465 12.260 1.00 18.82 N ATOM 1143 CA TYR A 122 12.868 -24.580 11.411 1.00 19.71 C ATOM 1144 C TYR A 122 12.066 -24.665 10.141 1.00 19.94 C ATOM 1145 O TYR A 122 12.634 -24.812 9.079 1.00 20.18 O ATOM 1146 CB TYR A 122 12.753 -25.910 12.148 1.00 19.23 C ATOM 1147 CG TYR A 122 13.679 -25.991 13.301 1.00 22.31 C ATOM 1148 CD1 TYR A 122 14.996 -26.380 13.116 1.00 23.53 C ATOM 1149 CD2 TYR A 122 13.265 -25.631 14.563 1.00 23.44 C ATOM 1150 CE1 TYR A 122 15.867 -26.466 14.181 1.00 25.63 C ATOM 1151 CE2 TYR A 122 14.133 -25.695 15.644 1.00 25.04 C ATOM 1152 CZ TYR A 122 15.418 -26.128 15.438 1.00 25.95 C ATOM 1153 OH TYR A 122 16.267 -26.185 16.498 1.00 29.76 O ATOM 1154 HH TYR A 122 17.150 -26.514 16.195 1.00 0.00 H ATOM 1155 H TYR A 122 11.809 -23.656 13.049 1.00 0.00 H ATOM 1156 N TRP A 123 10.743 -24.615 10.230 1.00 19.42 N ATOM 1157 CA TRP A 123 9.945 -24.903 9.029 1.00 19.94 C ATOM 1158 C TRP A 123 9.425 -23.671 8.294 1.00 20.27 C ATOM 1159 O TRP A 123 9.168 -23.755 7.081 1.00 20.62 O ATOM 1160 CB TRP A 123 8.811 -25.896 9.325 1.00 19.25 C ATOM 1161 CG TRP A 123 7.767 -25.415 10.300 1.00 18.43 C ATOM 1162 CD1 TRP A 123 7.754 -25.635 11.644 1.00 19.12 C ATOM 1163 CD2 TRP A 123 6.623 -24.617 10.020 1.00 18.04 C ATOM 1164 NE1 TRP A 123 6.665 -25.057 12.207 1.00 17.90 N ATOM 1165 CE2 TRP A 123 5.944 -24.426 11.237 1.00 17.88 C ATOM 1166 CE3 TRP A 123 6.086 -24.068 8.858 1.00 17.99 C ATOM 1167 CZ2 TRP A 123 4.770 -23.704 11.330 1.00 17.82 C ATOM 1168 CZ3 TRP A 123 4.926 -23.352 8.950 1.00 19.12 C ATOM 1169 CH2 TRP A 123 4.261 -23.181 10.185 1.00 18.19 C ATOM 1170 HE1 TRP A 123 6.419 -25.090 13.217 1.00 0.00 H ATOM 1171 H TRP A 123 10.280 -24.377 11.130 1.00 0.00 H ATOM 1172 N PHE A 124 9.245 -22.546 8.994 1.00 20.79 N ATOM 1173 CA PHE A 124 8.663 -21.378 8.361 1.00 23.51 C ATOM 1174 C PHE A 124 9.531 -20.857 7.201 1.00 23.23 C ATOM 1175 O PHE A 124 8.979 -20.522 6.156 1.00 23.62 O ATOM 1176 CB PHE A 124 8.353 -20.272 9.380 1.00 28.14 C ATOM 1177 CG PHE A 124 7.495 -19.189 8.830 1.00 29.98 C ATOM 1178 CD1 PHE A 124 6.208 -19.466 8.432 1.00 32.44 C ATOM 1179 CD2 PHE A 124 7.978 -17.914 8.658 1.00 34.10 C ATOM 1180 CE1 PHE A 124 5.405 -18.488 7.882 1.00 34.01 C ATOM 1181 CE2 PHE A 124 7.163 -16.924 8.125 1.00 36.62 C ATOM 1182 CZ PHE A 124 5.867 -17.215 7.737 1.00 34.30 C ATOM 1183 H PHE A 124 9.523 -22.508 9.995 1.00 0.00 H ATOM 1184 N PRO A 125 10.879 -20.861 7.344 1.00 21.97 N ATOM 1185 CA PRO A 125 11.684 -20.526 6.170 1.00 23.19 C ATOM 1186 C PRO A 125 11.438 -21.400 4.916 1.00 23.64 C ATOM 1187 O PRO A 125 11.534 -20.867 3.808 1.00 26.48 O ATOM 1188 CB PRO A 125 13.147 -20.660 6.672 1.00 23.83 C ATOM 1189 CG PRO A 125 13.052 -20.493 8.156 1.00 23.42 C ATOM 1190 CD PRO A 125 11.726 -21.137 8.519 1.00 22.86 C ATOM 1191 N LEU A 126 11.133 -22.701 5.061 1.00 22.53 N ATOM 1192 CA LEU A 126 10.827 -23.575 3.879 1.00 23.42 C ATOM 1193 C LEU A 126 9.585 -23.133 3.114 1.00 25.07 C ATOM 1194 O LEU A 126 9.531 -23.158 1.868 1.00 23.17 O ATOM 1195 CB LEU A 126 10.650 -25.044 4.290 1.00 24.18 C ATOM 1196 CG LEU A 126 11.841 -25.758 4.929 1.00 24.46 C ATOM 1197 CD1 LEU A 126 11.403 -27.120 5.396 1.00 25.04 C ATOM 1198 CD2 LEU A 126 12.987 -25.885 3.932 1.00 25.03 C ATOM 1199 H LEU A 126 11.108 -23.113 6.016 1.00 0.00 H ATOM 1200 N LEU A 127 8.580 -22.737 3.893 1.00 26.95 N ATOM 1201 CA LEU A 127 7.349 -22.160 3.395 1.00 30.38 C ATOM 1202 C LEU A 127 7.617 -20.836 2.634 1.00 30.97 C ATOM 1203 O LEU A 127 7.196 -20.681 1.470 1.00 26.35 O ATOM 1204 CB LEU A 127 6.416 -21.965 4.592 1.00 32.30 C ATOM 1205 CG LEU A 127 4.985 -21.555 4.284 1.00 37.87 C ATOM 1206 CD1 LEU A 127 4.007 -22.424 5.062 1.00 39.69 C ATOM 1207 CD2 LEU A 127 4.777 -20.092 4.638 1.00 43.44 C ATOM 1208 H LEU A 127 8.686 -22.849 4.922 1.00 0.00 H ATOM 1209 N LEU A 128 8.398 -19.930 3.238 1.00 29.64 N ATOM 1210 CA LEU A 128 8.828 -18.696 2.540 1.00 32.83 C ATOM 1211 C LEU A 128 9.619 -18.972 1.273 1.00 31.21 C ATOM 1212 O LEU A 128 9.531 -18.235 0.315 1.00 33.47 O ATOM 1213 CB LEU A 128 9.659 -17.792 3.461 1.00 33.30 C ATOM 1214 CG LEU A 128 8.891 -17.250 4.659 1.00 34.76 C ATOM 1215 CD1 LEU A 128 9.814 -16.453 5.565 1.00 38.80 C ATOM 1216 CD2 LEU A 128 7.691 -16.411 4.233 1.00 35.44 C ATOM 1217 H LEU A 128 8.709 -20.096 4.216 1.00 0.00 H ATOM 1218 N GLN A 129 10.360 -20.064 1.267 1.00 28.70 N ATOM 1219 CA GLN A 129 11.108 -20.503 0.100 1.00 28.03 C ATOM 1220 C GLN A 129 10.297 -21.359 -0.861 1.00 28.10 C ATOM 1221 O GLN A 129 10.851 -21.858 -1.836 1.00 27.85 O ATOM 1222 CB GLN A 129 12.351 -21.270 0.549 1.00 27.16 C ATOM 1223 CG GLN A 129 13.340 -20.416 1.305 1.00 27.35 C ATOM 1224 CD GLN A 129 14.330 -21.233 2.101 1.00 27.31 C ATOM 1225 OE1 GLN A 129 14.704 -22.333 1.705 1.00 29.57 O ATOM 1226 NE2 GLN A 129 14.804 -20.669 3.197 1.00 29.17 N ATOM 1227 HE22 GLN A 129 14.456 -19.735 3.493 1.00 0.00 H ATOM 1228 HE21 GLN A 129 15.525 -21.159 3.764 1.00 0.00 H ATOM 1229 H GLN A 129 10.411 -20.635 2.135 1.00 0.00 H ATOM 1230 N LYS A 130 9.009 -21.560 -0.579 1.00 29.00 N ATOM 1231 CA LYS A 130 8.092 -22.313 -1.446 1.00 33.49 C ATOM 1232 C LYS A 130 8.455 -23.770 -1.621 1.00 30.67 C ATOM 1233 O LYS A 130 8.281 -24.341 -2.694 1.00 27.85 O ATOM 1234 CB LYS A 130 7.931 -21.634 -2.830 1.00 38.18 C ATOM 1235 CG LYS A 130 7.676 -20.141 -2.728 1.00 43.26 C ATOM 1236 CD LYS A 130 7.121 -19.549 -4.011 1.00 49.75 C ATOM 1237 CE LYS A 130 7.357 -18.041 -4.036 1.00 56.70 C ATOM 1238 NZ LYS A 130 6.214 -17.321 -4.670 1.00 63.21 N ATOM 1239 HZ1 LYS A 130 6.096 -17.653 -5.648 1.00 0.00 H ATOM 1240 HZ2 LYS A 130 5.345 -17.511 -4.131 1.00 0.00 H ATOM 1241 HZ3 LYS A 130 6.407 -16.299 -4.671 1.00 0.00 H ATOM 1242 H LYS A 130 8.632 -21.161 0.305 1.00 0.00 H ATOM 1243 N LYS A 131 8.934 -24.377 -0.550 1.00 26.67 N ATOM 1244 CA LYS A 131 9.255 -25.783 -0.544 1.00 27.51 C ATOM 1245 C LYS A 131 8.248 -26.514 0.346 1.00 28.11 C ATOM 1246 O LYS A 131 8.004 -26.103 1.464 1.00 31.64 O ATOM 1247 CB LYS A 131 10.657 -25.977 -0.001 1.00 29.63 C ATOM 1248 CG LYS A 131 11.735 -25.535 -0.979 1.00 34.21 C ATOM 1249 CD LYS A 131 13.100 -25.531 -0.314 1.00 40.24 C ATOM 1250 CE LYS A 131 14.213 -25.024 -1.237 1.00 45.68 C ATOM 1251 NZ LYS A 131 15.480 -25.789 -0.972 1.00 50.06 N ATOM 1252 HZ1 LYS A 131 15.765 -25.653 0.019 1.00 0.00 H ATOM 1253 HZ2 LYS A 131 15.317 -26.800 -1.151 1.00 0.00 H ATOM 1254 HZ3 LYS A 131 16.232 -25.441 -1.601 1.00 0.00 H ATOM 1255 H LYS A 131 9.085 -23.823 0.317 1.00 0.00 H ATOM 1256 N LYS A 132 7.744 -27.635 -0.122 1.00 24.39 N ATOM 1257 CA LYS A 132 6.802 -28.436 0.633 1.00 25.02 C ATOM 1258 C LYS A 132 7.580 -29.286 1.612 1.00 20.20 C ATOM 1259 O LYS A 132 8.681 -29.690 1.304 1.00 19.95 O ATOM 1260 CB LYS A 132 6.011 -29.330 -0.306 1.00 27.53 C ATOM 1261 CG LYS A 132 5.260 -28.567 -1.371 1.00 31.14 C ATOM 1262 CD LYS A 132 4.670 -29.538 -2.376 1.00 35.66 C ATOM 1263 CE LYS A 132 3.518 -28.875 -3.101 1.00 42.32 C ATOM 1264 NZ LYS A 132 3.959 -27.698 -3.902 1.00 45.97 N ATOM 1265 HZ1 LYS A 132 4.393 -26.994 -3.271 1.00 0.00 H ATOM 1266 HZ2 LYS A 132 4.655 -28.004 -4.612 1.00 0.00 H ATOM 1267 HZ3 LYS A 132 3.136 -27.278 -4.380 1.00 0.00 H ATOM 1268 H LYS A 132 8.032 -27.958 -1.068 1.00 0.00 H ATOM 1269 N PHE A 133 7.011 -29.554 2.787 1.00 17.27 N ATOM 1270 CA PHE A 133 7.744 -30.193 3.874 1.00 17.20 C ATOM 1271 C PHE A 133 6.887 -31.149 4.729 1.00 16.47 C ATOM 1272 O PHE A 133 5.625 -31.059 4.754 1.00 16.09 O ATOM 1273 CB PHE A 133 8.427 -29.118 4.750 1.00 17.44 C ATOM 1274 CG PHE A 133 7.474 -28.203 5.421 1.00 19.61 C ATOM 1275 CD1 PHE A 133 6.821 -28.593 6.602 1.00 22.13 C ATOM 1276 CD2 PHE A 133 7.124 -27.025 4.837 1.00 23.02 C ATOM 1277 CE1 PHE A 133 5.907 -27.764 7.183 1.00 22.94 C ATOM 1278 CE2 PHE A 133 6.195 -26.185 5.414 1.00 24.16 C ATOM 1279 CZ PHE A 133 5.577 -26.563 6.580 1.00 24.45 C ATOM 1280 H PHE A 133 6.013 -29.300 2.933 1.00 0.00 H ATOM 1281 N HIS A 134 7.570 -32.082 5.392 1.00 16.00 N ATOM 1282 CA HIS A 134 6.987 -32.928 6.462 1.00 16.75 C ATOM 1283 C HIS A 134 7.888 -32.720 7.645 1.00 16.48 C ATOM 1284 O HIS A 134 9.115 -32.750 7.502 1.00 15.83 O ATOM 1285 CB HIS A 134 7.005 -34.401 6.115 1.00 19.26 C ATOM 1286 CG HIS A 134 5.884 -34.854 5.216 1.00 20.95 C ATOM 1287 ND1 HIS A 134 5.705 -36.183 4.885 1.00 22.43 N ATOM 1288 CD2 HIS A 134 4.848 -34.185 4.654 1.00 21.24 C ATOM 1289 CE1 HIS A 134 4.612 -36.306 4.152 1.00 23.59 C ATOM 1290 NE2 HIS A 134 4.091 -35.104 3.969 1.00 23.74 N ATOM 1291 H HIS A 134 8.570 -32.225 5.145 1.00 0.00 H ATOM 1292 N GLY A 135 7.284 -32.446 8.796 1.00 15.44 N ATOM 1293 CA GLY A 135 8.020 -32.214 10.010 1.00 16.34 C ATOM 1294 C GLY A 135 7.420 -32.994 11.159 1.00 15.24 C ATOM 1295 O GLY A 135 6.248 -33.347 11.131 1.00 14.26 O ATOM 1296 H GLY A 135 6.245 -32.398 8.820 1.00 0.00 H ATOM 1297 N TYR A 136 8.256 -33.273 12.155 1.00 14.84 N ATOM 1298 CA TYR A 136 7.829 -33.869 13.409 1.00 15.31 C ATOM 1299 C TYR A 136 8.564 -33.138 14.490 1.00 14.44 C ATOM 1300 O TYR A 136 9.769 -32.960 14.369 1.00 13.70 O ATOM 1301 CB TYR A 136 8.162 -35.365 13.434 1.00 16.52 C ATOM 1302 CG TYR A 136 8.111 -35.988 14.804 1.00 18.18 C ATOM 1303 CD1 TYR A 136 6.902 -36.168 15.469 1.00 18.42 C ATOM 1304 CD2 TYR A 136 9.276 -36.352 15.470 1.00 20.96 C ATOM 1305 CE1 TYR A 136 6.858 -36.742 16.732 1.00 20.47 C ATOM 1306 CE2 TYR A 136 9.228 -36.931 16.741 1.00 21.85 C ATOM 1307 CZ TYR A 136 8.022 -37.096 17.369 1.00 21.39 C ATOM 1308 OH TYR A 136 7.994 -37.650 18.624 1.00 25.11 O ATOM 1309 HH TYR A 136 8.383 -38.560 18.591 1.00 0.00 H ATOM 1310 H TYR A 136 9.265 -33.054 12.030 1.00 0.00 H ATOM 1311 N PHE A 137 7.857 -32.718 15.543 1.00 14.22 N ATOM 1312 CA PHE A 137 8.488 -32.046 16.663 1.00 14.87 C ATOM 1313 C PHE A 137 7.956 -32.650 17.956 1.00 16.49 C ATOM 1314 O PHE A 137 6.719 -32.718 18.139 1.00 14.76 O ATOM 1315 CB PHE A 137 8.228 -30.541 16.593 1.00 15.82 C ATOM 1316 CG PHE A 137 8.909 -29.858 15.419 1.00 16.24 C ATOM 1317 CD1 PHE A 137 8.274 -29.752 14.187 1.00 16.82 C ATOM 1318 CD2 PHE A 137 10.185 -29.372 15.552 1.00 16.32 C ATOM 1319 CE1 PHE A 137 8.919 -29.161 13.110 1.00 17.56 C ATOM 1320 CE2 PHE A 137 10.844 -28.768 14.488 1.00 17.23 C ATOM 1321 CZ PHE A 137 10.189 -28.656 13.264 1.00 17.89 C ATOM 1322 H PHE A 137 6.829 -32.877 15.560 1.00 0.00 H ATOM 1323 N LYS A 138 8.867 -33.102 18.832 1.00 15.79 N ATOM 1324 CA LYS A 138 8.468 -33.568 20.159 1.00 17.31 C ATOM 1325 C LYS A 138 8.805 -32.444 21.156 1.00 16.44 C ATOM 1326 O LYS A 138 9.957 -32.028 21.252 1.00 17.18 O ATOM 1327 CB LYS A 138 9.215 -34.850 20.513 1.00 19.54 C ATOM 1328 CG LYS A 138 8.937 -35.379 21.914 1.00 20.59 C ATOM 1329 CD LYS A 138 9.829 -36.553 22.258 1.00 22.51 C ATOM 1330 CE LYS A 138 9.619 -37.027 23.683 1.00 25.00 C ATOM 1331 NZ LYS A 138 10.294 -38.332 23.888 1.00 27.03 N ATOM 1332 HZ1 LYS A 138 9.896 -39.034 23.231 1.00 0.00 H ATOM 1333 HZ2 LYS A 138 11.313 -38.226 23.709 1.00 0.00 H ATOM 1334 HZ3 LYS A 138 10.144 -38.648 24.867 1.00 0.00 H ATOM 1335 H LYS A 138 9.871 -33.121 18.563 1.00 0.00 H ATOM 1336 N PHE A 139 7.801 -31.969 21.888 1.00 17.51 N ATOM 1337 CA PHE A 139 7.933 -30.886 22.840 1.00 18.36 C ATOM 1338 C PHE A 139 7.780 -31.393 24.265 1.00 20.86 C ATOM 1339 O PHE A 139 6.958 -32.274 24.506 1.00 20.51 O ATOM 1340 CB PHE A 139 6.817 -29.892 22.624 1.00 19.43 C ATOM 1341 CG PHE A 139 7.107 -28.828 21.611 1.00 19.90 C ATOM 1342 CD1 PHE A 139 6.927 -29.080 20.270 1.00 21.30 C ATOM 1343 CD2 PHE A 139 7.480 -27.554 22.006 1.00 20.11 C ATOM 1344 CE1 PHE A 139 7.121 -28.075 19.314 1.00 20.30 C ATOM 1345 CE2 PHE A 139 7.708 -26.560 21.063 1.00 20.62 C ATOM 1346 CZ PHE A 139 7.500 -26.821 19.709 1.00 20.10 C ATOM 1347 H PHE A 139 6.863 -32.402 21.769 1.00 0.00 H ATOM 1348 N GLN A 140 8.552 -30.813 25.178 1.00 23.91 N ATOM 1349 CA GLN A 140 8.274 -30.861 26.626 1.00 28.19 C ATOM 1350 C GLN A 140 7.710 -29.516 27.013 1.00 26.29 C ATOM 1351 O GLN A 140 8.406 -28.486 26.952 1.00 27.87 O ATOM 1352 CB GLN A 140 9.565 -31.088 27.394 1.00 32.81 C ATOM 1353 CG GLN A 140 9.395 -31.379 28.864 1.00 37.38 C ATOM 1354 CD GLN A 140 10.556 -32.228 29.332 1.00 44.04 C ATOM 1355 OE1 GLN A 140 11.710 -31.782 29.309 1.00 47.13 O ATOM 1356 NE2 GLN A 140 10.270 -33.479 29.698 1.00 46.67 N ATOM 1357 HE22 GLN A 140 9.283 -33.807 29.701 1.00 0.00 H ATOM 1358 HE21 GLN A 140 11.034 -34.126 29.980 1.00 0.00 H ATOM 1359 H GLN A 140 9.396 -30.298 24.855 1.00 0.00 H ATOM 1360 N GLY A 141 6.436 -29.503 27.360 1.00 27.11 N ATOM 1361 CA GLY A 141 5.723 -28.250 27.575 1.00 27.74 C ATOM 1362 C GLY A 141 5.710 -27.437 26.296 1.00 27.60 C ATOM 1363 O GLY A 141 5.760 -27.980 25.202 1.00 31.49 O ATOM 1364 H GLY A 141 5.932 -30.404 27.482 1.00 0.00 H ATOM 1365 N GLN A 142 5.722 -26.125 26.424 1.00 29.01 N ATOM 1366 CA GLN A 142 5.545 -25.256 25.265 1.00 29.09 C ATOM 1367 C GLN A 142 6.786 -24.603 24.759 1.00 27.90 C ATOM 1368 O GLN A 142 6.731 -24.004 23.688 1.00 26.18 O ATOM 1369 CB GLN A 142 4.480 -24.240 25.560 1.00 30.35 C ATOM 1370 CG GLN A 142 3.165 -24.946 25.768 1.00 32.73 C ATOM 1371 CD GLN A 142 2.037 -24.001 26.037 1.00 37.17 C ATOM 1372 OE1 GLN A 142 2.050 -22.849 25.588 1.00 36.87 O ATOM 1373 NE2 GLN A 142 1.029 -24.488 26.761 1.00 40.71 N ATOM 1374 HE22 GLN A 142 1.068 -25.465 27.115 1.00 0.00 H ATOM 1375 HE21 GLN A 142 0.204 -23.891 26.971 1.00 0.00 H ATOM 1376 H GLN A 142 5.860 -25.703 27.365 1.00 0.00 H ATOM 1377 N ASP A 143 7.908 -24.754 25.469 1.00 27.57 N ATOM 1378 CA ASP A 143 9.142 -24.079 25.102 1.00 30.46 C ATOM 1379 C ASP A 143 10.270 -24.937 24.580 1.00 29.43 C ATOM 1380 O ASP A 143 11.173 -24.397 23.959 1.00 29.84 O ATOM 1381 CB ASP A 143 9.685 -23.255 26.277 1.00 32.15 C ATOM 1382 CG ASP A 143 8.718 -22.188 26.734 1.00 35.05 C ATOM 1383 OD1 ASP A 143 7.749 -21.867 26.016 1.00 36.61 O ATOM 1384 OD2 ASP A 143 8.920 -21.662 27.837 1.00 39.02 O ATOM 1385 H ASP A 143 7.898 -25.371 26.306 1.00 0.00 H ATOM 1386 N THR A 144 10.261 -26.237 24.838 1.00 27.32 N ATOM 1387 CA THR A 144 11.445 -27.054 24.622 1.00 25.16 C ATOM 1388 C THR A 144 11.200 -28.128 23.601 1.00 23.29 C ATOM 1389 O THR A 144 10.323 -28.946 23.777 1.00 23.86 O ATOM 1390 CB THR A 144 11.868 -27.736 25.937 1.00 26.40 C ATOM 1391 OG1 THR A 144 12.125 -26.711 26.890 1.00 26.61 O ATOM 1392 CG2 THR A 144 13.113 -28.532 25.748 1.00 25.77 C ATOM 1393 HG1 THR A 144 12.400 -27.121 27.748 1.00 0.00 H ATOM 1394 H THR A 144 9.393 -26.680 25.201 1.00 0.00 H ATOM 1395 N ILE A 145 12.005 -28.118 22.545 1.00 21.56 N ATOM 1396 CA ILE A 145 12.004 -29.161 21.557 1.00 20.78 C ATOM 1397 C ILE A 145 13.012 -30.248 21.930 1.00 20.99 C ATOM 1398 O ILE A 145 14.231 -29.990 21.981 1.00 20.37 O ATOM 1399 CB ILE A 145 12.351 -28.613 20.160 1.00 21.52 C ATOM 1400 CG1 ILE A 145 11.258 -27.645 19.672 1.00 23.34 C ATOM 1401 CG2 ILE A 145 12.503 -29.779 19.186 1.00 21.97 C ATOM 1402 CD1 ILE A 145 11.677 -26.788 18.475 1.00 23.54 C ATOM 1403 H ILE A 145 12.664 -27.322 22.428 1.00 0.00 H ATOM 1404 N LEU A 146 12.521 -31.473 22.138 1.00 20.60 N ATOM 1405 CA LEU A 146 13.377 -32.587 22.549 1.00 20.80 C ATOM 1406 C LEU A 146 13.967 -33.330 21.347 1.00 20.39 C ATOM 1407 O LEU A 146 15.165 -33.659 21.350 1.00 19.93 O ATOM 1408 CB LEU A 146 12.617 -33.554 23.462 1.00 22.52 C ATOM 1409 CG LEU A 146 12.126 -32.923 24.778 1.00 24.37 C ATOM 1410 CD1 LEU A 146 11.229 -33.931 25.505 1.00 28.07 C ATOM 1411 CD2 LEU A 146 13.266 -32.491 25.681 1.00 26.44 C ATOM 1412 H LEU A 146 11.503 -31.640 22.004 1.00 0.00 H ATOM 1413 N ASP A 147 13.111 -33.618 20.374 1.00 18.33 N ATOM 1414 CA ASP A 147 13.447 -34.323 19.144 1.00 18.81 C ATOM 1415 C ASP A 147 12.735 -33.618 17.971 1.00 16.63 C ATOM 1416 O ASP A 147 11.620 -33.112 18.118 1.00 14.30 O ATOM 1417 CB ASP A 147 12.922 -35.790 19.040 1.00 21.06 C ATOM 1418 CG ASP A 147 13.201 -36.695 20.265 1.00 25.08 C ATOM 1419 OD1 ASP A 147 14.272 -36.650 20.867 1.00 23.50 O ATOM 1420 OD2 ASP A 147 12.292 -37.529 20.551 1.00 31.08 O ATOM 1421 H ASP A 147 12.123 -33.317 20.500 1.00 0.00 H ATOM 1422 N TYR A 148 13.338 -33.636 16.798 1.00 15.62 N ATOM 1423 CA TYR A 148 12.578 -33.284 15.611 1.00 16.18 C ATOM 1424 C TYR A 148 13.125 -33.927 14.375 1.00 15.72 C ATOM 1425 O TYR A 148 14.326 -34.242 14.313 1.00 16.37 O ATOM 1426 CB TYR A 148 12.514 -31.743 15.445 1.00 17.01 C ATOM 1427 CG TYR A 148 13.711 -31.105 14.823 1.00 18.04 C ATOM 1428 CD1 TYR A 148 13.802 -30.961 13.445 1.00 20.58 C ATOM 1429 CD2 TYR A 148 14.751 -30.619 15.607 1.00 20.53 C ATOM 1430 CE1 TYR A 148 14.910 -30.394 12.867 1.00 20.97 C ATOM 1431 CE2 TYR A 148 15.868 -30.033 15.038 1.00 23.20 C ATOM 1432 CZ TYR A 148 15.941 -29.941 13.655 1.00 21.98 C ATOM 1433 OH TYR A 148 17.024 -29.340 13.058 1.00 25.41 O ATOM 1434 HH TYR A 148 17.849 -29.826 13.308 1.00 0.00 H ATOM 1435 H TYR A 148 14.342 -33.898 16.724 1.00 0.00 H ATOM 1436 N THR A 149 12.260 -34.045 13.376 1.00 15.91 N ATOM 1437 CA THR A 149 12.691 -34.307 12.004 1.00 17.51 C ATOM 1438 C THR A 149 12.031 -33.337 11.025 1.00 16.90 C ATOM 1439 O THR A 149 10.908 -32.886 11.233 1.00 15.69 O ATOM 1440 CB THR A 149 12.387 -35.754 11.532 1.00 19.69 C ATOM 1441 OG1 THR A 149 10.978 -35.959 11.395 1.00 23.20 O ATOM 1442 CG2 THR A 149 12.959 -36.784 12.493 1.00 20.80 C ATOM 1443 HG1 THR A 149 10.808 -36.887 11.094 1.00 0.00 H ATOM 1444 H THR A 149 11.244 -33.948 13.575 1.00 0.00 H ATOM 1445 N LEU A 150 12.746 -33.016 9.957 1.00 15.64 N ATOM 1446 CA LEU A 150 12.233 -32.133 8.956 1.00 16.52 C ATOM 1447 C LEU A 150 12.829 -32.475 7.599 1.00 17.06 C ATOM 1448 O LEU A 150 14.035 -32.502 7.465 1.00 15.93 O ATOM 1449 CB LEU A 150 12.607 -30.690 9.336 1.00 17.69 C ATOM 1450 CG LEU A 150 12.084 -29.581 8.416 1.00 19.68 C ATOM 1451 CD1 LEU A 150 10.566 -29.584 8.399 1.00 19.89 C ATOM 1452 CD2 LEU A 150 12.626 -28.252 8.913 1.00 20.80 C ATOM 1453 H LEU A 150 13.700 -33.414 9.844 1.00 0.00 H ATOM 1454 N ARG A 151 11.991 -32.639 6.594 1.00 18.31 N ATOM 1455 CA ARG A 151 12.490 -32.887 5.238 1.00 20.17 C ATOM 1456 C ARG A 151 11.551 -32.228 4.249 1.00 20.81 C ATOM 1457 O ARG A 151 10.388 -31.912 4.569 1.00 17.24 O ATOM 1458 CB ARG A 151 12.589 -34.396 4.956 1.00 21.57 C ATOM 1459 CG ARG A 151 11.274 -35.139 4.750 1.00 23.12 C ATOM 1460 CD ARG A 151 11.561 -36.599 4.467 1.00 26.92 C ATOM 1461 NE ARG A 151 10.388 -37.360 4.058 1.00 29.42 N ATOM 1462 CZ ARG A 151 9.915 -37.453 2.808 1.00 32.70 C ATOM 1463 NH1 ARG A 151 10.470 -36.803 1.774 1.00 33.30 N ATOM 1464 NH2 ARG A 151 8.838 -38.194 2.585 1.00 33.39 N ATOM 1465 HE ARG A 151 9.873 -37.876 4.800 1.00 0.00 H ATOM 1466 HH12 ARG A 151 10.069 -36.905 0.820 1.00 0.00 H ATOM 1467 HH11 ARG A 151 11.301 -36.197 1.926 1.00 0.00 H ATOM 1468 HH22 ARG A 151 8.455 -38.279 1.622 1.00 0.00 H ATOM 1469 HH21 ARG A 151 8.376 -38.690 3.373 1.00 0.00 H ATOM 1470 H ARG A 151 10.966 -32.592 6.765 1.00 0.00 H ATOM 1471 N GLU A 152 12.073 -32.017 3.046 1.00 20.86 N ATOM 1472 CA GLU A 152 11.248 -31.539 1.958 1.00 24.42 C ATOM 1473 C GLU A 152 10.636 -32.727 1.265 1.00 22.64 C ATOM 1474 O GLU A 152 11.230 -33.800 1.228 1.00 22.85 O ATOM 1475 CB GLU A 152 12.061 -30.726 0.942 1.00 29.78 C ATOM 1476 CG GLU A 152 12.420 -29.349 1.440 1.00 36.08 C ATOM 1477 CD GLU A 152 13.899 -29.198 1.699 1.00 46.11 C ATOM 1478 OE1 GLU A 152 14.355 -29.631 2.793 1.00 45.77 O ATOM 1479 OE2 GLU A 152 14.586 -28.638 0.791 1.00 52.31 O ATOM 1480 H GLU A 152 13.084 -32.197 2.885 1.00 0.00 H ATOM 1481 N VAL A 153 9.459 -32.516 0.672 1.00 23.39 N ATOM 1482 CA VAL A 153 8.721 -33.596 0.035 1.00 23.84 C ATOM 1483 C VAL A 153 8.218 -33.110 -1.315 1.00 25.04 C ATOM 1484 O VAL A 153 8.109 -31.910 -1.558 1.00 23.90 O ATOM 1485 CB VAL A 153 7.495 -34.052 0.870 1.00 24.03 C ATOM 1486 CG1 VAL A 153 7.928 -34.522 2.269 1.00 24.87 C ATOM 1487 CG2 VAL A 153 6.456 -32.943 0.963 1.00 23.05 C ATOM 1488 H VAL A 153 9.060 -31.556 0.665 1.00 0.00 H ATOM 1489 N ASP A 154 7.876 -34.060 -2.164 1.00 28.88 N ATOM 1490 CA ASP A 154 7.245 -33.741 -3.448 1.00 32.96 C ATOM 1491 C ASP A 154 5.733 -33.650 -3.349 1.00 29.98 C ATOM 1492 O ASP A 154 5.137 -32.825 -4.023 1.00 32.76 O ATOM 1493 CB ASP A 154 7.670 -34.764 -4.502 1.00 38.47 C ATOM 1494 CG ASP A 154 9.140 -34.599 -4.903 1.00 44.29 C ATOM 1495 OD1 ASP A 154 9.563 -33.448 -5.171 1.00 46.36 O ATOM 1496 OD2 ASP A 154 9.863 -35.618 -4.952 1.00 51.95 O ATOM 1497 H ASP A 154 8.057 -35.054 -1.918 1.00 0.00 H ATOM 1498 N THR A 155 5.128 -34.477 -2.504 1.00 30.56 N ATOM 1499 CA THR A 155 3.674 -34.503 -2.281 1.00 31.05 C ATOM 1500 C THR A 155 3.399 -34.275 -0.793 1.00 33.13 C ATOM 1501 O THR A 155 3.928 -35.006 0.062 1.00 26.30 O ATOM 1502 CB THR A 155 3.079 -35.880 -2.696 1.00 34.21 C ATOM 1503 OG1 THR A 155 3.378 -36.140 -4.077 1.00 35.08 O ATOM 1504 CG2 THR A 155 1.538 -35.954 -2.502 1.00 33.78 C ATOM 1505 HG1 THR A 155 4.360 -36.154 -4.204 1.00 0.00 H ATOM 1506 H THR A 155 5.717 -35.146 -1.968 1.00 0.00 H ATOM 1507 N VAL A 156 2.582 -33.270 -0.469 1.00 34.34 N ATOM 1508 CA VAL A 156 2.294 -33.003 0.940 1.00 38.67 C ATOM 1509 C VAL A 156 1.451 -34.135 1.529 1.00 43.22 C ATOM 1510 O VAL A 156 0.522 -34.647 0.885 1.00 47.66 O ATOM 1511 CB VAL A 156 1.667 -31.621 1.191 1.00 37.04 C ATOM 1512 CG1 VAL A 156 1.271 -31.484 2.658 1.00 37.96 C ATOM 1513 CG2 VAL A 156 2.657 -30.533 0.834 1.00 35.43 C ATOM 1514 OXT VAL A 156 1.731 -34.578 2.665 1.00 46.95 O ATOM 1515 H VAL A 156 2.154 -32.682 -1.212 1.00 0.00 H TER 1516 VAL A 156 HETATM 1517 O HOH 1 5.969 -25.175 1.875 1.00 33.61 O HETATM 1518 O HOH 2 18.850 -28.666 14.396 1.00 35.25 O HETATM 1519 O HOH 3 -1.664 -16.264 8.164 1.00 27.35 O HETATM 1520 O HOH 4 8.708 -26.181 27.809 1.00 28.99 O HETATM 1521 O HOH 5 -21.102 -34.270 15.146 1.00 25.84 O HETATM 1522 O HOH 6 -11.280 -21.105 16.267 1.00 48.55 O HETATM 1523 O HOH 7 -8.348 -24.385 -2.636 1.00 31.80 O HETATM 1524 O HOH 8 4.113 -19.457 16.514 1.00 21.60 O HETATM 1525 O HOH 9 -16.190 -12.645 6.878 1.00 40.09 O HETATM 1526 O HOH 10 -5.506 -28.414 21.008 1.00 40.66 O HETATM 1527 O HOH 11 -8.611 -12.088 -3.543 1.00 42.83 O HETATM 1528 O HOH 12 -15.576 -24.225 5.741 1.00 40.35 O HETATM 1529 O HOH 13 10.076 -19.336 16.393 1.00 22.74 O HETATM 1530 O HOH 14 7.090 -5.799 9.730 1.00 32.16 O HETATM 1531 O HOH 15 5.463 -14.682 22.507 1.00 41.21 O HETATM 1532 O HOH 16 -16.824 -25.952 7.765 1.00 34.64 O HETATM 1533 O HOH 17 5.369 -37.774 -3.769 1.00 38.06 O HETATM 1534 O HOH 18 -10.810 -12.710 23.789 1.00 36.08 O HETATM 1535 O HOH 19 -12.737 -26.509 15.410 1.00 39.03 O HETATM 1536 O HOH 20 4.495 -5.729 11.770 1.00 34.41 O HETATM 1537 O HOH 21 1.483 -4.424 5.511 1.00 35.13 O HETATM 1538 O HOH 22 -3.229 -37.076 7.862 1.00 38.81 O HETATM 1539 O HOH 23 13.570 -37.190 23.386 1.00 39.03 O HETATM 1540 O HOH 24 -5.063 -32.851 20.090 1.00 33.67 O HETATM 1541 O HOH 25 -12.692 -29.476 0.621 1.00 35.49 O HETATM 1542 O HOH 26 -2.560 -33.238 21.482 1.00 30.90 O HETATM 1543 O HOH 27 -0.676 -19.241 -1.898 1.00 44.27 O HETATM 1544 O HOH 28 9.919 -38.424 11.791 1.00 34.56 O HETATM 1545 O HOH 29 10.285 -38.995 19.441 1.00 29.03 O HETATM 1546 O HOH 30 -15.962 -14.074 24.937 1.00 37.15 O HETATM 1547 O HOH 31 5.412 -25.204 28.981 1.00 38.06 O HETATM 1548 O HOH 32 -4.338 -5.355 14.667 1.00 29.03 O HETATM 1549 O HOH 33 0.522 -29.195 -2.459 1.00 38.43 O HETATM 1550 O HOH 34 -10.596 -33.768 4.293 1.00 29.23 O HETATM 1551 O HOH 35 -12.657 -19.112 2.444 1.00 19.58 O HETATM 1552 O HOH 36 -11.839 -18.360 4.964 1.00 24.61 O HETATM 1553 O HOH 37 -14.786 -11.919 2.442 1.00 40.99 O HETATM 1554 O HOH 38 -16.743 -31.994 15.561 1.00 43.84 O HETATM 1555 O HOH 39 1.192 -31.778 -2.395 1.00 36.72 O HETATM 1556 O HOH 40 0.775 -38.475 30.853 1.00 20.50 O HETATM 1557 O HOH 41 -3.851 -8.995 21.974 1.00 38.28 O HETATM 1558 O HOH 42 4.648 -21.487 0.564 1.00 34.06 O HETATM 1559 O HOH 43 13.834 -25.995 22.151 1.00 31.31 O HETATM 1560 O HOH 44 12.649 -14.326 7.565 1.00 41.81 O HETATM 1561 O HOH 45 -14.729 -10.259 16.160 1.00 46.27 O HETATM 1562 O HOH 46 12.006 -12.164 16.835 1.00 35.41 O HETATM 1563 O HOH 47 1.107 -35.637 22.181 1.00 23.22 O HETATM 1564 O HOH 48 10.153 -35.188 8.755 1.00 26.41 O HETATM 1565 O HOH 49 4.284 -31.421 27.304 1.00 30.65 O HETATM 1566 O HOH 50 -9.771 -26.846 11.138 1.00 28.42 O HETATM 1567 O HOH 51 6.722 -39.278 25.684 1.00 34.52 O HETATM 1568 O HOH 52 10.556 -19.126 20.259 1.00 44.94 O HETATM 1569 O HOH 53 -3.835 -35.393 24.060 1.00 38.43 O HETATM 1570 O HOH 54 7.078 -17.167 22.903 1.00 38.96 O HETATM 1571 O HOH 55 13.960 -22.388 17.951 1.00 32.12 O HETATM 1572 O HOH 56 4.938 -35.171 9.187 1.00 37.17 O HETATM 1573 O HOH 57 3.017 -38.433 24.462 1.00 31.24 O HETATM 1574 O HOH 58 -4.943 -5.023 5.653 1.00 37.52 O HETATM 1575 O HOH 59 -9.598 -31.276 2.322 1.00 21.01 O HETATM 1576 O HOH 60 12.350 -12.368 9.446 1.00 32.61 O HETATM 1577 O HOH 61 -1.681 -29.415 3.868 1.00 37.85 O HETATM 1578 O HOH 62 3.003 -7.894 -0.537 1.00 26.81 O HETATM 1579 O HOH 63 -15.030 -13.088 17.824 1.00 37.59 O HETATM 1580 O HOH 64 9.790 -38.743 26.933 1.00 35.64 O HETATM 1581 O HOH 65 -9.403 -25.434 17.887 1.00 36.88 O HETATM 1582 O HOH 66 4.577 -24.915 -2.435 1.00 35.54 O HETATM 1583 O HOH 67 -10.577 -8.939 23.774 1.00 38.01 O HETATM 1584 O HOH 68 -11.560 -33.112 20.480 1.00 41.90 O HETATM 1585 O HOH 69 -12.839 -9.127 19.875 1.00 34.82 O HETATM 1586 O HOH 70 1.522 -29.904 26.817 1.00 47.93 O HETATM 1587 O HOH 71 5.276 -23.803 -0.181 1.00 37.36 O HETATM 1588 O HOH 72 -3.645 -21.804 15.965 1.00 43.60 O HETATM 1589 O HOH 73 -1.899 -31.379 23.188 1.00 40.78 O HETATM 1590 O HOH 74 -3.968 -4.603 9.200 1.00 41.56 O HETATM 1591 O HOH 75 -7.246 -33.806 21.411 1.00 39.94 O HETATM 1592 O HOH 76 -6.801 -31.013 2.335 1.00 41.06 O HETATM 1593 C1 C A 9 2.237 -26.046 17.861 1.00 -0.04 C HETATM 1594 C2 C A 9 1.317 -25.232 17.188 1.00 -0.01 C HETATM 1595 C3 C A 9 1.829 -24.277 16.309 1.00 0.02 C HETATM 1596 C9 C A 9 3.190 -24.194 16.183 1.00 0.14 C HETATM 1597 N2 C A 9 3.470 -23.200 15.291 1.00 -0.25 N HETATM 1598 C5 C A 9 2.322 -22.599 14.826 1.00 0.14 C HETATM 1599 C4 C A 9 1.287 -23.255 15.470 1.00 -0.03 C HETATM 1600 H12 C A 9 0.228 -23.028 15.355 1.00 0.04 H HETATM 1601 C6 C A 9 2.182 -21.480 13.898 1.00 0.23 C HETATM 1602 O1 C A 9 1.096 -20.951 13.693 1.00 -0.38 O HETATM 1603 N1 C A 9 3.290 -21.014 13.220 1.00 -0.28 N HETATM 1604 C7 C A 9 3.295 -19.746 12.489 1.00 0.03 C HETATM 1605 C8 C A 9 4.383 -19.667 11.429 1.00 -0.04 C HETATM 1606 H4 C A 9 4.330 -18.693 10.921 1.00 0.02 H HETATM 1607 H5 C A 9 4.238 -20.472 10.694 1.00 0.02 H HETATM 1608 H6 C A 9 5.368 -19.778 11.906 1.00 0.02 H HETATM 1609 H2 C A 9 2.319 -19.623 11.997 1.00 0.05 H HETATM 1610 H3 C A 9 3.449 -18.929 13.209 1.00 0.05 H HETATM 1611 H14 C A 9 4.124 -21.566 13.229 1.00 0.18 H HETATM 1612 H13 C A 9 4.422 -22.933 15.002 1.00 0.23 H HETATM 1613 N3 C A 9 4.116 -24.934 16.787 1.00 -0.28 N HETATM 1614 C10 C A 9 3.576 -25.852 17.633 1.00 -0.00 C HETATM 1615 H7 C A 9 4.266 -26.488 18.176 1.00 0.08 H HETATM 1616 C11 C A 9 -0.131 -25.346 17.286 1.00 -0.01 C HETATM 1617 C12 C A 9 -0.880 -25.435 16.072 1.00 -0.04 C HETATM 1618 C13 C A 9 -2.268 -25.547 16.068 1.00 0.04 C HETATM 1619 C14 C A 9 -2.942 -25.592 17.280 1.00 -0.05 C HETATM 1620 C15 C A 9 -2.224 -25.543 18.476 1.00 -0.06 C HETATM 1621 C16 C A 9 -0.835 -25.416 18.477 1.00 -0.05 C HETATM 1622 H11 C A 9 -0.301 -25.372 19.419 1.00 0.06 H HETATM 1623 H10 C A 9 -2.755 -25.605 19.419 1.00 0.06 H HETATM 1624 H9 C A 9 -4.023 -25.665 17.298 1.00 0.06 H HETATM 1625 CL1 C A 9 -3.187 -25.622 14.579 1.00 -0.07 CL HETATM 1626 H8 C A 9 -0.352 -25.415 15.126 1.00 0.06 H HETATM 1627 H1 C A 9 1.898 -26.813 18.548 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1593 1594 1614 1627 CONECT 1594 1593 1595 1616 CONECT 1595 1594 1596 1599 CONECT 1596 1595 1597 1613 CONECT 1597 1596 1598 1612 CONECT 1598 1597 1599 1601 CONECT 1599 1595 1598 1600 CONECT 1600 1599 CONECT 1601 1598 1602 1603 CONECT 1602 1601 CONECT 1603 1601 1604 1611 CONECT 1604 1603 1605 1609 1610 CONECT 1605 1604 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1604 CONECT 1610 1604 CONECT 1611 1603 CONECT 1612 1597 CONECT 1613 1596 1614 CONECT 1614 1593 1613 1615 CONECT 1615 1614 CONECT 1616 1594 1617 1621 CONECT 1617 1616 1618 1626 CONECT 1618 1617 1619 1625 CONECT 1619 1618 1620 1624 CONECT 1620 1619 1621 1623 CONECT 1621 1616 1620 1622 CONECT 1622 1621 CONECT 1623 1620 CONECT 1624 1619 CONECT 1625 1618 CONECT 1626 1617 CONECT 1627 1593 MASTER 0 0 0 0 0 0 0 0 1626 1 39 12 END
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Related entries of code: 6f1x
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Protein Sequence Similarity
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RCSB PDB
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RCSB PDB
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6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
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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%
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RCSB PDB
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RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
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RCSB PDB
PDBbind
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6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6f23
RCSB PDB
PDBbind
C8Z
Entry Information
PDB ID
6f1x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MutT Homologue 1
Ligand Name
C8Z
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=0.02uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 2533-2551
Ligand Properties
Formula
C
1
6
H
1
4
ClN
3
O
Molecular Weight
299.755
Exact Mass
299.083
No. of atoms
35
No. of bonds
37
Polar Surface Area
57.78
LOGP Value
3.54 (
Computed with XLOGP3
)
4.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
CCNC(=O)c1cc2c([nH]1)nccc2c1cccc(c1)Cl
InChI String
InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
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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