Browse entries in the PDBbind-CN Database
HEADER 4QF7_COMPLEX COMPND 4QF7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET C A 0R 53 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 12.487 11.165 -3.861 1.00 20.12 N ATOM 2 CA SER A 1 13.246 11.156 -5.119 1.00 22.21 C ATOM 3 C SER A 1 14.616 10.560 -4.836 1.00 22.56 C ATOM 4 O SER A 1 15.031 10.506 -3.708 1.00 21.51 O ATOM 5 CB SER A 1 13.373 12.566 -5.656 1.00 23.75 C ATOM 6 OG SER A 1 14.204 13.306 -4.783 1.00 25.12 O ATOM 7 HG SER A 1 15.096 12.879 -4.738 1.00 0.00 H ATOM 8 HN3 SER A 1 12.992 11.741 -3.157 1.00 0.00 H ATOM 9 HN2 SER A 1 12.390 10.191 -3.509 1.00 0.00 H ATOM 10 HN1 SER A 1 11.544 11.569 -4.030 1.00 0.00 H ATOM 11 N LEU A 2 15.315 10.160 -5.894 1.00 24.97 N ATOM 12 CA LEU A 2 16.567 9.515 -5.827 1.00 26.58 C ATOM 13 C LEU A 2 17.643 10.362 -5.091 1.00 26.54 C ATOM 14 O LEU A 2 18.411 9.871 -4.251 1.00 27.80 O ATOM 15 CB LEU A 2 17.060 9.079 -7.230 1.00 30.19 C ATOM 16 CG LEU A 2 16.714 7.656 -7.667 1.00 31.09 C ATOM 17 CD1 LEU A 2 16.639 7.523 -9.155 1.00 33.10 C ATOM 18 CD2 LEU A 2 17.740 6.701 -7.130 1.00 32.30 C ATOM 19 H LEU A 2 14.910 10.335 -6.836 1.00 0.00 H ATOM 20 N LEU A 3 17.688 11.640 -5.419 1.00 27.61 N ATOM 21 CA LEU A 3 18.635 12.556 -4.755 1.00 27.58 C ATOM 22 C LEU A 3 18.358 12.690 -3.255 1.00 26.98 C ATOM 23 O LEU A 3 19.288 12.675 -2.462 1.00 27.73 O ATOM 24 CB LEU A 3 18.716 13.907 -5.474 1.00 30.45 C ATOM 25 CG LEU A 3 19.373 13.716 -6.836 1.00 32.30 C ATOM 26 CD1 LEU A 3 19.020 14.839 -7.783 1.00 34.54 C ATOM 27 CD2 LEU A 3 20.887 13.643 -6.696 1.00 33.73 C ATOM 28 H LEU A 3 17.049 12.005 -6.154 1.00 0.00 H ATOM 29 N GLU A 4 17.086 12.755 -2.870 1.00 24.63 N ATOM 30 CA GLU A 4 16.684 12.752 -1.467 1.00 23.27 C ATOM 31 C GLU A 4 17.032 11.484 -0.730 1.00 21.38 C ATOM 32 O GLU A 4 17.384 11.544 0.450 1.00 21.18 O ATOM 33 CB GLU A 4 15.180 12.887 -1.347 1.00 23.41 C ATOM 34 CG GLU A 4 14.674 14.252 -1.631 1.00 26.14 C ATOM 35 CD GLU A 4 13.227 14.351 -1.249 1.00 25.22 C ATOM 36 OE1 GLU A 4 12.522 13.331 -1.423 1.00 23.42 O ATOM 37 OE2 GLU A 4 12.844 15.464 -0.811 1.00 29.04 O ATOM 38 H GLU A 4 16.347 12.810 -3.600 1.00 0.00 H ATOM 39 N PHE A 5 16.845 10.327 -1.381 1.00 20.17 N ATOM 40 CA PHE A 5 17.195 9.051 -0.810 1.00 18.44 C ATOM 41 C PHE A 5 18.698 9.046 -0.606 1.00 19.45 C ATOM 42 O PHE A 5 19.173 8.648 0.438 1.00 20.46 O ATOM 43 CB PHE A 5 16.781 7.911 -1.763 1.00 17.91 C ATOM 44 CG PHE A 5 16.993 6.509 -1.230 1.00 17.13 C ATOM 45 CD1 PHE A 5 16.896 6.221 0.140 1.00 15.75 C ATOM 46 CD2 PHE A 5 17.239 5.454 -2.112 1.00 17.08 C ATOM 47 CE1 PHE A 5 17.026 4.928 0.604 1.00 15.63 C ATOM 48 CE2 PHE A 5 17.403 4.172 -1.653 1.00 17.01 C ATOM 49 CZ PHE A 5 17.294 3.904 -0.282 1.00 15.79 C ATOM 50 H PHE A 5 16.431 10.351 -2.335 1.00 0.00 H ATOM 51 N GLY A 6 19.413 9.529 -1.597 1.00 20.64 N ATOM 52 CA GLY A 6 20.882 9.604 -1.509 1.00 21.80 C ATOM 53 C GLY A 6 21.358 10.359 -0.285 1.00 22.69 C ATOM 54 O GLY A 6 22.328 9.950 0.359 1.00 23.27 O ATOM 55 H GLY A 6 18.934 9.864 -2.457 1.00 0.00 H ATOM 56 N LYS A 7 20.742 11.474 -0.009 1.00 23.43 N ATOM 57 CA LYS A 7 21.037 12.306 1.152 1.00 24.76 C ATOM 58 C LYS A 7 20.676 11.720 2.521 1.00 23.57 C ATOM 59 O LYS A 7 21.387 11.814 3.482 1.00 23.43 O ATOM 60 CB LYS A 7 20.569 13.709 0.877 1.00 27.65 C ATOM 61 CG LYS A 7 20.759 14.724 1.938 1.00 28.45 C ATOM 62 CD LYS A 7 20.407 16.089 1.394 1.00 31.90 C ATOM 63 CE LYS A 7 19.129 16.144 0.560 1.00 32.71 C ATOM 64 NZ LYS A 7 17.868 16.370 1.330 1.00 33.39 N ATOM 65 HZ1 LYS A 7 17.739 15.599 2.016 1.00 0.00 H ATOM 66 HZ2 LYS A 7 17.929 17.277 1.835 1.00 0.00 H ATOM 67 HZ3 LYS A 7 17.061 16.391 0.674 1.00 0.00 H ATOM 68 H LYS A 7 19.993 11.790 -0.657 1.00 0.00 H ATOM 69 N MET A 8 19.567 11.066 2.530 1.00 21.28 N ATOM 70 CA MET A 8 19.133 10.340 3.702 1.00 19.93 C ATOM 71 C MET A 8 20.158 9.230 4.049 1.00 20.13 C ATOM 72 O MET A 8 20.589 9.097 5.201 1.00 21.44 O ATOM 73 CB MET A 8 17.719 9.803 3.456 1.00 19.88 C ATOM 74 CG MET A 8 17.036 9.194 4.668 1.00 19.46 C ATOM 75 SD MET A 8 15.561 8.257 4.159 1.00 17.73 S ATOM 76 CE MET A 8 14.301 9.500 4.131 1.00 18.76 C ATOM 77 H MET A 8 18.972 11.060 1.677 1.00 0.00 H ATOM 78 N ILE A 9 20.612 8.519 3.010 1.00 19.51 N ATOM 79 CA ILE A 9 21.622 7.442 3.169 1.00 19.42 C ATOM 80 C ILE A 9 22.922 8.015 3.738 1.00 20.65 C ATOM 81 O ILE A 9 23.502 7.474 4.689 1.00 20.50 O ATOM 82 CB ILE A 9 21.900 6.766 1.806 1.00 19.24 C ATOM 83 CG1 ILE A 9 20.679 5.917 1.428 1.00 17.65 C ATOM 84 CG2 ILE A 9 23.213 5.959 1.802 1.00 20.04 C ATOM 85 CD1 ILE A 9 20.733 5.424 0.007 1.00 18.23 C ATOM 86 H ILE A 9 20.245 8.728 2.059 1.00 0.00 H ATOM 87 N LEU A 10 23.391 9.129 3.140 1.00 21.33 N ATOM 88 CA LEU A 10 24.608 9.787 3.607 1.00 23.11 C ATOM 89 C LEU A 10 24.483 10.235 5.063 1.00 23.76 C ATOM 90 O LEU A 10 25.335 9.952 5.872 1.00 24.87 O ATOM 91 CB LEU A 10 24.990 10.935 2.679 1.00 24.41 C ATOM 92 CG LEU A 10 26.099 11.859 3.172 1.00 26.53 C ATOM 93 CD1 LEU A 10 27.461 11.178 3.344 1.00 27.98 C ATOM 94 CD2 LEU A 10 26.310 13.112 2.314 1.00 27.62 C ATOM 95 H LEU A 10 22.875 9.528 2.330 1.00 0.00 H ATOM 96 N GLU A 11 23.404 10.932 5.381 1.00 23.75 N ATOM 97 CA GLU A 11 23.036 11.251 6.750 1.00 24.12 C ATOM 98 C GLU A 11 23.122 10.081 7.725 1.00 23.41 C ATOM 99 O GLU A 11 23.745 10.187 8.765 1.00 24.82 O ATOM 100 CB GLU A 11 21.592 11.764 6.756 1.00 23.42 C ATOM 101 CG GLU A 11 21.454 13.203 6.338 1.00 25.18 C ATOM 102 CD GLU A 11 20.020 13.705 6.332 1.00 24.98 C ATOM 103 OE1 GLU A 11 19.050 12.919 6.445 1.00 23.15 O ATOM 104 OE2 GLU A 11 19.909 14.934 6.274 1.00 27.25 O ATOM 105 H GLU A 11 22.789 11.268 4.613 1.00 0.00 H ATOM 106 N GLU A 12 22.511 8.955 7.367 1.00 21.49 N ATOM 107 CA GLU A 12 22.418 7.802 8.277 1.00 21.57 C ATOM 108 C GLU A 12 23.777 7.172 8.495 1.00 22.59 C ATOM 109 O GLU A 12 24.125 6.791 9.605 1.00 23.22 O ATOM 110 CB GLU A 12 21.484 6.723 7.715 1.00 20.72 C ATOM 111 CG GLU A 12 20.001 6.881 8.002 1.00 20.74 C ATOM 112 CD GLU A 12 19.682 7.022 9.472 1.00 20.57 C ATOM 113 OE1 GLU A 12 19.822 6.055 10.261 1.00 21.19 O ATOM 114 OE2 GLU A 12 19.236 8.121 9.817 1.00 21.76 O ATOM 115 H GLU A 12 22.088 8.888 6.419 1.00 0.00 H ATOM 116 N THR A 13 24.519 7.061 7.397 1.00 22.58 N ATOM 117 CA THR A 13 25.642 6.136 7.321 1.00 23.45 C ATOM 118 C THR A 13 27.005 6.771 7.171 1.00 25.12 C ATOM 119 O THR A 13 27.987 6.093 7.403 1.00 25.75 O ATOM 120 CB THR A 13 25.466 5.162 6.132 1.00 22.32 C ATOM 121 OG1 THR A 13 25.743 5.871 4.922 1.00 21.98 O ATOM 122 CG2 THR A 13 24.067 4.531 6.116 1.00 21.36 C ATOM 123 HG1 THR A 13 25.114 6.630 4.834 1.00 0.00 H ATOM 124 H THR A 13 24.292 7.650 6.571 1.00 0.00 H ATOM 125 N GLY A 14 27.087 8.042 6.773 1.00 25.71 N ATOM 126 CA GLY A 14 28.371 8.682 6.538 1.00 28.14 C ATOM 127 C GLY A 14 28.858 8.498 5.118 1.00 28.03 C ATOM 128 O GLY A 14 30.027 8.700 4.807 1.00 31.23 O ATOM 129 H GLY A 14 26.213 8.587 6.628 1.00 0.00 H ATOM 130 N LYS A 16 28.257 7.163 4.257 1.00 25.70 N ATOM 131 CA LYS A 16 28.666 6.822 2.916 1.00 25.81 C ATOM 132 C LYS A 16 27.842 7.591 1.896 1.00 25.26 C ATOM 133 O LYS A 16 26.663 7.849 2.088 1.00 23.97 O ATOM 134 CB LYS A 16 28.487 5.326 2.705 1.00 24.98 C ATOM 135 CG LYS A 16 29.285 4.486 3.669 1.00 25.98 C ATOM 136 CD LYS A 16 29.205 3.012 3.303 1.00 25.60 C ATOM 137 CE LYS A 16 30.033 2.179 4.262 1.00 26.68 C ATOM 138 NZ LYS A 16 31.453 2.100 3.877 1.00 29.28 N ATOM 139 HZ1 LYS A 16 31.532 1.669 2.934 1.00 0.00 H ATOM 140 HZ2 LYS A 16 31.859 3.057 3.857 1.00 0.00 H ATOM 141 HZ3 LYS A 16 31.967 1.518 4.569 1.00 0.00 H ATOM 142 H LYS A 16 27.553 6.556 4.724 1.00 0.00 H ATOM 143 N LEU A 17 28.483 7.961 0.805 1.00 26.76 N ATOM 144 CA LEU A 17 27.803 8.531 -0.323 1.00 26.75 C ATOM 145 C LEU A 17 27.041 7.414 -0.966 1.00 25.98 C ATOM 146 O LEU A 17 27.582 6.334 -1.158 1.00 26.55 O ATOM 147 CB LEU A 17 28.831 9.096 -1.299 1.00 28.79 C ATOM 148 CG LEU A 17 29.436 10.419 -0.846 1.00 30.65 C ATOM 149 CD1 LEU A 17 30.727 10.616 -1.598 1.00 33.40 C ATOM 150 CD2 LEU A 17 28.400 11.491 -1.166 1.00 30.24 C ATOM 151 H LEU A 17 29.514 7.836 0.760 1.00 0.00 H ATOM 152 N ALA A 18 25.779 7.663 -1.289 1.00 24.72 N ATOM 153 CA ALA A 18 24.954 6.628 -1.917 1.00 24.03 C ATOM 154 C ALA A 18 25.505 6.121 -3.252 1.00 26.08 C ATOM 155 O ALA A 18 25.486 4.908 -3.501 1.00 26.76 O ATOM 156 CB ALA A 18 23.501 7.083 -2.057 1.00 22.96 C ATOM 157 H ALA A 18 25.372 8.600 -1.095 1.00 0.00 H ATOM 158 N ILE A 19 25.950 7.040 -4.108 1.00 28.11 N ATOM 159 CA ILE A 19 26.835 6.689 -5.224 1.00 30.28 C ATOM 160 C ILE A 19 28.271 7.005 -4.788 1.00 32.02 C ATOM 161 O ILE A 19 28.621 8.173 -4.629 1.00 33.01 O ATOM 162 CB ILE A 19 26.521 7.448 -6.540 1.00 32.06 C ATOM 163 CG1 ILE A 19 25.047 7.339 -6.935 1.00 31.26 C ATOM 164 CG2 ILE A 19 27.425 6.975 -7.685 1.00 35.00 C ATOM 165 CD1 ILE A 19 24.777 7.921 -8.300 1.00 35.09 C ATOM 166 H ILE A 19 25.663 8.031 -3.982 1.00 0.00 H ATOM 167 N PRO A 20 29.131 5.987 -4.657 1.00 32.24 N ATOM 168 CA PRO A 20 29.190 4.618 -5.146 1.00 32.02 C ATOM 169 C PRO A 20 29.009 3.493 -4.130 1.00 30.97 C ATOM 170 O PRO A 20 29.114 2.317 -4.516 1.00 31.35 O ATOM 171 CB PRO A 20 30.629 4.544 -5.640 1.00 34.72 C ATOM 172 CG PRO A 20 31.370 5.345 -4.607 1.00 35.68 C ATOM 173 CD PRO A 20 30.428 6.383 -4.077 1.00 34.01 C ATOM 174 N SER A 21 28.737 3.822 -2.861 1.00 29.12 N ATOM 175 CA SER A 21 28.730 2.799 -1.826 1.00 29.49 C ATOM 176 C SER A 21 27.538 1.874 -1.898 1.00 27.15 C ATOM 177 O SER A 21 27.670 0.696 -1.542 1.00 27.53 O ATOM 178 CB SER A 21 28.879 3.415 -0.432 1.00 29.20 C ATOM 179 OG SER A 21 30.009 4.235 -0.393 1.00 31.11 O ATOM 180 HG SER A 21 30.098 4.629 0.511 1.00 0.00 H ATOM 181 H SER A 21 28.530 4.811 -2.614 1.00 0.00 H ATOM 182 N TYR A 22 26.375 2.374 -2.363 1.00 25.57 N ATOM 183 CA TYR A 22 25.172 1.576 -2.436 1.00 23.97 C ATOM 184 C TYR A 22 24.518 1.478 -3.826 1.00 23.98 C ATOM 185 O TYR A 22 23.596 0.699 -4.019 1.00 24.56 O ATOM 186 CB TYR A 22 24.182 2.075 -1.407 1.00 21.95 C ATOM 187 CG TYR A 22 24.629 1.913 0.017 1.00 21.57 C ATOM 188 CD1 TYR A 22 24.511 0.680 0.669 1.00 21.33 C ATOM 189 CD2 TYR A 22 25.094 3.003 0.757 1.00 22.27 C ATOM 190 CE1 TYR A 22 24.897 0.527 1.997 1.00 20.97 C ATOM 191 CE2 TYR A 22 25.488 2.848 2.085 1.00 21.58 C ATOM 192 CZ TYR A 22 25.366 1.606 2.701 1.00 21.21 C ATOM 193 OH TYR A 22 25.712 1.416 4.007 1.00 21.89 O ATOM 194 HH TYR A 22 25.553 0.471 4.255 1.00 0.00 H ATOM 195 H TYR A 22 26.343 3.364 -2.679 1.00 0.00 H ATOM 196 N SER A 23 24.924 2.268 -4.786 1.00 25.06 N ATOM 197 CA SER A 23 24.264 2.297 -6.068 1.00 25.67 C ATOM 198 C SER A 23 24.437 1.047 -6.888 1.00 25.65 C ATOM 199 O SER A 23 23.696 0.797 -7.731 1.00 25.28 O ATOM 200 CB SER A 23 24.673 3.533 -6.851 1.00 26.61 C ATOM 201 OG SER A 23 26.053 3.554 -6.968 1.00 28.77 O ATOM 202 HG SER A 23 26.328 4.357 -7.477 1.00 0.00 H ATOM 203 H SER A 23 25.741 2.889 -4.621 1.00 0.00 H ATOM 204 N SER A 24 25.517 0.348 -6.655 1.00 26.46 N ATOM 205 CA SER A 24 25.797 -0.879 -7.374 1.00 27.47 C ATOM 206 C SER A 24 26.113 -2.143 -6.541 1.00 26.90 C ATOM 207 O SER A 24 26.789 -3.009 -7.021 1.00 28.37 O ATOM 208 CB SER A 24 26.871 -0.618 -8.420 1.00 29.92 C ATOM 209 OG SER A 24 28.040 -0.349 -7.788 1.00 30.14 O ATOM 210 HG SER A 24 27.928 0.450 -7.215 1.00 0.00 H ATOM 211 H SER A 24 26.191 0.680 -5.936 1.00 0.00 H ATOM 212 N TYR A 25 25.636 -2.180 -5.295 1.00 24.67 N ATOM 213 CA TYR A 25 26.026 -3.150 -4.303 1.00 24.08 C ATOM 214 C TYR A 25 25.238 -4.446 -4.358 1.00 23.12 C ATOM 215 O TYR A 25 24.072 -4.461 -4.245 1.00 22.38 O ATOM 216 CB TYR A 25 25.926 -2.514 -2.909 1.00 22.72 C ATOM 217 CG TYR A 25 26.437 -3.296 -1.745 1.00 22.32 C ATOM 218 CD1 TYR A 25 25.764 -4.387 -1.258 1.00 21.44 C ATOM 219 CD2 TYR A 25 27.578 -2.901 -1.102 1.00 23.38 C ATOM 220 CE1 TYR A 25 26.237 -5.089 -0.165 1.00 21.37 C ATOM 221 CE2 TYR A 25 28.047 -3.552 -0.002 1.00 23.64 C ATOM 222 CZ TYR A 25 27.419 -4.659 0.458 1.00 22.69 C ATOM 223 OH TYR A 25 27.954 -5.252 1.537 1.00 23.40 O ATOM 224 HH TYR A 25 27.413 -6.045 1.779 1.00 0.00 H ATOM 225 H TYR A 25 24.936 -1.461 -5.022 1.00 0.00 H ATOM 226 N GLY A 26 25.922 -5.535 -4.569 1.00 24.47 N ATOM 227 CA GLY A 26 25.280 -6.842 -4.556 1.00 24.26 C ATOM 228 C GLY A 26 24.291 -7.054 -5.691 1.00 23.75 C ATOM 229 O GLY A 26 24.470 -6.530 -6.783 1.00 24.47 O ATOM 230 H GLY A 26 26.944 -5.470 -4.750 1.00 0.00 H ATOM 231 N CYS A 27 23.255 -7.844 -5.420 1.00 23.45 N ATOM 232 CA CYS A 27 22.277 -8.256 -6.429 1.00 23.51 C ATOM 233 C CYS A 27 21.020 -7.400 -6.475 1.00 22.31 C ATOM 234 O CYS A 27 20.269 -7.449 -7.455 1.00 23.09 O ATOM 235 CB CYS A 27 21.843 -9.691 -6.118 1.00 23.50 C ATOM 236 SG CYS A 27 23.154 -10.878 -6.478 1.00 24.63 S ATOM 237 H CYS A 27 23.134 -8.185 -4.445 1.00 0.00 H ATOM 238 N TYR A 28 20.797 -6.608 -5.429 1.00 20.21 N ATOM 239 CA TYR A 28 19.551 -5.827 -5.380 1.00 19.06 C ATOM 240 C TYR A 28 19.690 -4.315 -5.338 1.00 18.31 C ATOM 241 O TYR A 28 18.740 -3.642 -5.678 1.00 18.04 O ATOM 242 CB TYR A 28 18.636 -6.337 -4.283 1.00 18.95 C ATOM 243 CG TYR A 28 18.058 -7.646 -4.722 1.00 20.37 C ATOM 244 CD1 TYR A 28 18.718 -8.820 -4.452 1.00 21.75 C ATOM 245 CD2 TYR A 28 16.840 -7.698 -5.447 1.00 21.54 C ATOM 246 CE1 TYR A 28 18.217 -10.020 -4.883 1.00 23.42 C ATOM 247 CE2 TYR A 28 16.328 -8.897 -5.888 1.00 23.29 C ATOM 248 CZ TYR A 28 17.017 -10.064 -5.603 1.00 23.96 C ATOM 249 OH TYR A 28 16.521 -11.278 -6.030 1.00 26.37 O ATOM 250 HH TYR A 28 17.132 -12.002 -5.744 1.00 0.00 H ATOM 251 H TYR A 28 21.492 -6.542 -4.658 1.00 0.00 H ATOM 252 N CYS A 29 20.792 -3.780 -4.846 1.00 18.56 N ATOM 253 CA CYS A 29 20.931 -2.334 -4.723 1.00 18.43 C ATOM 254 C CYS A 29 21.049 -1.608 -6.091 1.00 20.27 C ATOM 255 O CYS A 29 21.846 -1.977 -6.890 1.00 21.30 O ATOM 256 CB CYS A 29 22.136 -1.984 -3.847 1.00 18.70 C ATOM 257 SG CYS A 29 22.170 -2.648 -2.178 1.00 17.52 S ATOM 258 H CYS A 29 21.571 -4.398 -4.542 1.00 0.00 H ATOM 259 N GLY A 30 20.278 -0.568 -6.304 1.00 20.51 N ATOM 260 CA GLY A 30 20.282 0.226 -7.521 1.00 23.33 C ATOM 261 C GLY A 30 19.512 -0.386 -8.652 1.00 25.25 C ATOM 262 O GLY A 30 18.713 -1.200 -8.445 1.00 25.71 O ATOM 263 H GLY A 30 19.618 -0.293 -5.549 1.00 0.00 H ATOM 264 N TRP A 31 19.912 -0.116 -9.873 1.00 29.36 N ATOM 265 CA TRP A 31 19.515 -0.972 -11.018 1.00 32.80 C ATOM 266 C TRP A 31 19.721 -2.472 -10.566 1.00 33.92 C ATOM 267 O TRP A 31 20.561 -2.658 -9.702 1.00 34.46 O ATOM 268 CB TRP A 31 20.558 -0.680 -12.200 1.00 35.80 C ATOM 269 CG TRP A 31 20.676 -1.919 -13.174 1.00 35.58 C ATOM 270 CD1 TRP A 31 20.057 -2.079 -14.331 1.00 36.79 C ATOM 271 CD2 TRP A 31 21.260 -3.217 -12.848 1.00 35.78 C ATOM 272 NE1 TRP A 31 20.235 -3.337 -14.791 1.00 37.49 N ATOM 273 CE2 TRP A 31 20.987 -4.055 -13.898 1.00 37.08 C ATOM 274 CE3 TRP A 31 22.028 -3.697 -11.797 1.00 35.33 C ATOM 275 CZ2 TRP A 31 21.435 -5.380 -13.927 1.00 36.81 C ATOM 276 CZ3 TRP A 31 22.476 -5.001 -11.823 1.00 35.45 C ATOM 277 CH2 TRP A 31 22.184 -5.825 -12.895 1.00 35.49 C ATOM 278 HE1 TRP A 31 19.858 -3.705 -15.688 1.00 0.00 H ATOM 279 H TRP A 31 20.518 0.713 -10.041 1.00 0.00 H ATOM 280 N GLY A 32 18.935 -3.451 -10.938 1.00 34.72 N ATOM 281 CA GLY A 32 19.425 -4.820 -10.804 1.00 35.85 C ATOM 282 C GLY A 32 18.734 -6.097 -10.486 1.00 34.56 C ATOM 283 O GLY A 32 18.984 -7.088 -11.274 1.00 35.29 O ATOM 284 H GLY A 32 17.987 -3.259 -11.319 1.00 0.00 H ATOM 285 N GLY A 33 17.741 -6.041 -9.561 1.00 31.56 N ATOM 286 CA GLY A 33 17.462 -7.019 -8.541 1.00 28.95 C ATOM 287 C GLY A 33 16.883 -8.364 -8.963 1.00 29.43 C ATOM 288 O GLY A 33 15.748 -8.514 -9.336 1.00 30.29 O ATOM 289 H GLY A 33 17.119 -5.208 -9.592 1.00 0.00 H ATOM 290 N LYS A 34 17.736 -9.344 -8.805 1.00 29.31 N ATOM 291 CA LYS A 34 17.510 -10.726 -9.106 1.00 30.27 C ATOM 292 C LYS A 34 18.443 -11.546 -8.248 1.00 29.61 C ATOM 293 O LYS A 34 19.404 -11.061 -7.739 1.00 27.74 O ATOM 294 CB LYS A 34 17.826 -10.955 -10.547 1.00 33.21 C ATOM 295 CG LYS A 34 16.959 -11.949 -11.243 1.00 35.33 C ATOM 296 CD LYS A 34 15.776 -11.278 -11.928 1.00 36.31 C ATOM 297 CE LYS A 34 14.815 -12.310 -12.468 1.00 38.30 C ATOM 298 NZ LYS A 34 13.778 -12.725 -11.470 1.00 36.63 N ATOM 299 HZ1 LYS A 34 14.245 -13.134 -10.636 1.00 0.00 H ATOM 300 HZ2 LYS A 34 13.222 -11.894 -11.184 1.00 0.00 H ATOM 301 HZ3 LYS A 34 13.149 -13.434 -11.899 1.00 0.00 H ATOM 302 H LYS A 34 18.671 -9.095 -8.423 1.00 0.00 H ATOM 303 N GLY A 35 18.126 -12.812 -8.105 1.00 29.83 N ATOM 304 CA GLY A 35 18.909 -13.726 -7.319 1.00 30.85 C ATOM 305 C GLY A 35 18.864 -13.636 -5.808 1.00 29.19 C ATOM 306 O GLY A 35 18.000 -13.025 -5.245 1.00 28.46 O ATOM 307 H GLY A 35 17.272 -13.169 -8.580 1.00 0.00 H ATOM 308 N THR A 36 19.822 -14.279 -5.171 1.00 30.06 N ATOM 309 CA THR A 36 19.883 -14.343 -3.702 1.00 28.81 C ATOM 310 C THR A 36 20.722 -13.173 -3.176 1.00 27.23 C ATOM 311 O THR A 36 21.868 -13.045 -3.597 1.00 27.41 O ATOM 312 CB THR A 36 20.548 -15.660 -3.225 1.00 31.15 C ATOM 313 OG1 THR A 36 19.748 -16.791 -3.593 1.00 33.19 O ATOM 314 CG2 THR A 36 20.755 -15.668 -1.693 1.00 31.24 C ATOM 315 HG1 THR A 36 20.188 -17.621 -3.280 1.00 0.00 H ATOM 316 H THR A 36 20.560 -14.758 -5.726 1.00 0.00 H ATOM 317 N PRO A 37 20.184 -12.354 -2.243 1.00 25.18 N ATOM 318 CA PRO A 37 20.991 -11.242 -1.737 1.00 23.98 C ATOM 319 C PRO A 37 22.270 -11.743 -1.058 1.00 24.48 C ATOM 320 O PRO A 37 22.318 -12.810 -0.436 1.00 25.96 O ATOM 321 CB PRO A 37 20.064 -10.547 -0.741 1.00 22.14 C ATOM 322 CG PRO A 37 18.701 -10.854 -1.242 1.00 22.78 C ATOM 323 CD PRO A 37 18.805 -12.283 -1.718 1.00 24.30 C ATOM 324 N LYS A 38 23.319 -10.984 -1.231 1.00 23.45 N ATOM 325 CA LYS A 38 24.627 -11.408 -0.741 1.00 24.29 C ATOM 326 C LYS A 38 24.879 -11.330 0.735 1.00 24.06 C ATOM 327 O LYS A 38 25.674 -12.010 1.236 1.00 25.71 O ATOM 328 CB LYS A 38 25.781 -10.770 -1.514 1.00 25.41 C ATOM 329 CG LYS A 38 25.643 -10.718 -2.999 1.00 25.70 C ATOM 330 CD LYS A 38 25.524 -12.105 -3.545 1.00 26.93 C ATOM 331 CE LYS A 38 26.745 -12.923 -3.298 1.00 28.78 C ATOM 332 NZ LYS A 38 26.812 -14.140 -4.140 1.00 30.77 N ATOM 333 HZ1 LYS A 38 25.986 -14.741 -3.945 1.00 0.00 H ATOM 334 HZ2 LYS A 38 26.814 -13.866 -5.143 1.00 0.00 H ATOM 335 HZ3 LYS A 38 27.683 -14.664 -3.921 1.00 0.00 H ATOM 336 H LYS A 38 23.222 -10.072 -1.721 1.00 0.00 H ATOM 337 N ASP A 39 24.235 -10.384 1.382 1.00 22.38 N ATOM 338 CA ASP A 39 24.530 -10.024 2.707 1.00 22.20 C ATOM 339 C ASP A 39 23.396 -9.165 3.267 1.00 20.23 C ATOM 340 O ASP A 39 22.415 -8.977 2.608 1.00 18.60 O ATOM 341 CB ASP A 39 25.943 -9.450 2.840 1.00 22.38 C ATOM 342 CG ASP A 39 26.043 -8.005 2.397 1.00 21.91 C ATOM 343 OD1 ASP A 39 25.143 -7.537 1.720 1.00 20.50 O ATOM 344 OD2 ASP A 39 27.025 -7.396 2.761 1.00 23.22 O ATOM 345 H ASP A 39 23.471 -9.878 0.889 1.00 0.00 H ATOM 346 N ALA A 40 23.512 -8.740 4.507 1.00 20.68 N ATOM 347 CA ALA A 40 22.425 -8.010 5.131 1.00 19.54 C ATOM 348 C ALA A 40 22.156 -6.703 4.372 1.00 17.61 C ATOM 349 O ALA A 40 21.024 -6.361 4.144 1.00 17.31 O ATOM 350 CB ALA A 40 22.697 -7.753 6.584 1.00 20.96 C ATOM 351 H ALA A 40 24.385 -8.928 5.041 1.00 0.00 H ATOM 352 N THR A 41 23.205 -6.022 3.967 1.00 18.72 N ATOM 353 CA THR A 41 23.013 -4.737 3.303 1.00 17.16 C ATOM 354 C THR A 41 22.234 -4.935 2.006 1.00 17.05 C ATOM 355 O THR A 41 21.330 -4.220 1.729 1.00 16.02 O ATOM 356 CB THR A 41 24.363 -4.086 2.983 1.00 18.80 C ATOM 357 OG1 THR A 41 24.986 -3.688 4.179 1.00 19.95 O ATOM 358 CG2 THR A 41 24.204 -2.875 2.062 1.00 17.83 C ATOM 359 HG1 THR A 41 25.129 -4.481 4.755 1.00 0.00 H ATOM 360 H THR A 41 24.164 -6.396 4.119 1.00 0.00 H ATOM 361 N ASP A 42 22.627 -5.952 1.250 1.00 17.32 N ATOM 362 CA ASP A 42 21.902 -6.318 0.024 1.00 16.77 C ATOM 363 C ASP A 42 20.448 -6.655 0.330 1.00 15.67 C ATOM 364 O ASP A 42 19.552 -6.325 -0.444 1.00 14.80 O ATOM 365 CB ASP A 42 22.587 -7.524 -0.635 1.00 18.31 C ATOM 366 CG ASP A 42 22.374 -7.591 -2.140 1.00 18.84 C ATOM 367 OD1 ASP A 42 21.912 -6.609 -2.753 1.00 18.32 O ATOM 368 OD2 ASP A 42 22.683 -8.648 -2.739 1.00 19.80 O ATOM 369 H ASP A 42 23.465 -6.501 1.530 1.00 0.00 H ATOM 370 N ARG A 43 20.220 -7.340 1.454 1.00 15.94 N ATOM 371 CA ARG A 43 18.842 -7.622 1.862 1.00 15.82 C ATOM 372 C ARG A 43 18.036 -6.363 2.113 1.00 14.90 C ATOM 373 O ARG A 43 16.861 -6.308 1.724 1.00 13.98 O ATOM 374 CB ARG A 43 18.802 -8.616 3.020 1.00 17.01 C ATOM 375 CG ARG A 43 19.152 -10.050 2.628 1.00 19.53 C ATOM 376 CD ARG A 43 18.924 -11.069 3.754 1.00 21.84 C ATOM 377 NE ARG A 43 19.919 -10.997 4.839 1.00 23.38 N ATOM 378 CZ ARG A 43 21.123 -11.544 4.840 1.00 25.13 C ATOM 379 NH1 ARG A 43 21.571 -12.255 3.807 1.00 25.75 N ATOM 380 NH2 ARG A 43 21.918 -11.377 5.896 1.00 27.05 N ATOM 381 HE ARG A 43 19.647 -10.463 5.689 1.00 0.00 H ATOM 382 HH12 ARG A 43 22.523 -12.673 3.837 1.00 0.00 H ATOM 383 HH11 ARG A 43 20.969 -12.392 2.970 1.00 0.00 H ATOM 384 HH22 ARG A 43 22.866 -11.804 5.905 1.00 0.00 H ATOM 385 HH21 ARG A 43 21.590 -10.820 6.711 1.00 0.00 H ATOM 386 H ARG A 43 21.016 -7.671 2.036 1.00 0.00 H ATOM 387 N CYS A 44 18.681 -5.331 2.665 1.00 14.93 N ATOM 388 CA CYS A 44 18.050 -4.000 2.727 1.00 14.30 C ATOM 389 C CYS A 44 17.559 -3.526 1.358 1.00 13.40 C ATOM 390 O CYS A 44 16.424 -3.067 1.211 1.00 13.03 O ATOM 391 CB CYS A 44 18.947 -2.940 3.305 1.00 14.77 C ATOM 392 SG CYS A 44 19.734 -3.303 4.869 1.00 16.81 S ATOM 393 H CYS A 44 19.636 -5.468 3.054 1.00 0.00 H ATOM 394 N CYS A 45 18.392 -3.725 0.337 1.00 14.26 N ATOM 395 CA CYS A 45 18.078 -3.314 -0.995 1.00 14.60 C ATOM 396 C CYS A 45 16.955 -4.182 -1.541 1.00 13.69 C ATOM 397 O CYS A 45 16.034 -3.676 -2.197 1.00 15.46 O ATOM 398 CB CYS A 45 19.277 -3.346 -1.927 1.00 15.52 C ATOM 399 SG CYS A 45 20.368 -2.012 -1.469 1.00 16.40 S ATOM 400 H CYS A 45 19.302 -4.196 0.516 1.00 0.00 H ATOM 401 N PHE A 46 17.014 -5.488 -1.277 1.00 15.20 N ATOM 402 CA PHE A 46 15.952 -6.355 -1.688 1.00 15.49 C ATOM 403 C PHE A 46 14.590 -5.883 -1.159 1.00 14.15 C ATOM 404 O PHE A 46 13.588 -5.767 -1.915 1.00 13.43 O ATOM 405 CB PHE A 46 16.224 -7.808 -1.220 1.00 17.62 C ATOM 406 CG PHE A 46 15.211 -8.782 -1.742 1.00 19.09 C ATOM 407 CD1 PHE A 46 15.348 -9.341 -2.994 1.00 21.31 C ATOM 408 CD2 PHE A 46 14.055 -9.086 -0.997 1.00 19.88 C ATOM 409 CE1 PHE A 46 14.381 -10.213 -3.496 1.00 23.41 C ATOM 410 CE2 PHE A 46 13.104 -9.970 -1.488 1.00 22.14 C ATOM 411 CZ PHE A 46 13.251 -10.526 -2.738 1.00 23.21 C ATOM 412 H PHE A 46 17.835 -5.878 -0.771 1.00 0.00 H ATOM 413 N VAL A 47 14.534 -5.670 0.156 1.00 13.11 N ATOM 414 CA VAL A 47 13.307 -5.213 0.821 1.00 12.58 C ATOM 415 C VAL A 47 12.880 -3.828 0.278 1.00 12.28 C ATOM 416 O VAL A 47 11.683 -3.578 0.040 1.00 11.98 O ATOM 417 CB VAL A 47 13.509 -5.121 2.334 1.00 11.97 C ATOM 418 CG1 VAL A 47 12.251 -4.473 2.956 1.00 12.91 C ATOM 419 CG2 VAL A 47 13.705 -6.505 2.869 1.00 12.98 C ATOM 420 H VAL A 47 15.386 -5.833 0.729 1.00 0.00 H ATOM 421 N HIS A 48 13.851 -2.947 0.010 1.00 12.39 N ATOM 422 CA HIS A 48 13.582 -1.643 -0.541 1.00 12.62 C ATOM 423 C HIS A 48 12.971 -1.769 -1.921 1.00 12.62 C ATOM 424 O HIS A 48 11.981 -1.100 -2.228 1.00 12.55 O ATOM 425 CB HIS A 48 14.844 -0.815 -0.545 1.00 12.98 C ATOM 426 CG HIS A 48 14.643 0.637 -0.976 1.00 12.31 C ATOM 427 ND1 HIS A 48 15.147 1.124 -2.119 1.00 12.97 N ATOM 428 CD2 HIS A 48 13.968 1.694 -0.355 1.00 11.82 C ATOM 429 CE1 HIS A 48 14.845 2.431 -2.227 1.00 13.06 C ATOM 430 NE2 HIS A 48 14.100 2.785 -1.153 1.00 12.25 N ATOM 431 H HIS A 48 14.837 -3.213 0.207 1.00 0.00 H ATOM 432 N ASP A 49 13.573 -2.625 -2.754 1.00 12.87 N ATOM 433 CA ASP A 49 13.048 -2.956 -4.058 1.00 14.20 C ATOM 434 C ASP A 49 11.611 -3.431 -3.949 1.00 13.77 C ATOM 435 O ASP A 49 10.737 -3.020 -4.727 1.00 14.18 O ATOM 436 CB ASP A 49 13.922 -4.004 -4.722 1.00 15.16 C ATOM 437 CG ASP A 49 15.289 -3.467 -5.157 1.00 15.83 C ATOM 438 OD1 ASP A 49 15.517 -2.232 -5.152 1.00 15.79 O ATOM 439 OD2 ASP A 49 16.095 -4.331 -5.535 1.00 16.71 O ATOM 440 H ASP A 49 14.460 -3.073 -2.448 1.00 0.00 H ATOM 441 N CYS A 50 11.380 -4.347 -3.015 1.00 13.89 N ATOM 442 CA CYS A 50 10.024 -4.847 -2.787 1.00 13.83 C ATOM 443 C CYS A 50 9.046 -3.749 -2.383 1.00 13.51 C ATOM 444 O CYS A 50 7.893 -3.689 -2.850 1.00 13.67 O ATOM 445 CB CYS A 50 10.032 -5.969 -1.724 1.00 15.10 C ATOM 446 SG CYS A 50 10.808 -7.489 -2.305 1.00 16.32 S ATOM 447 H CYS A 50 12.168 -4.711 -2.442 1.00 0.00 H ATOM 448 N CYS A 51 9.570 -2.845 -1.553 1.00 12.94 N ATOM 449 CA CYS A 51 8.834 -1.697 -1.017 1.00 12.30 C ATOM 450 C CYS A 51 8.350 -0.781 -2.148 1.00 12.41 C ATOM 451 O CYS A 51 7.134 -0.487 -2.256 1.00 12.63 O ATOM 452 CB CYS A 51 9.652 -0.903 -0.020 1.00 11.93 C ATOM 453 SG CYS A 51 8.628 0.061 1.092 1.00 13.01 S ATOM 454 H CYS A 51 10.563 -2.963 -1.269 1.00 0.00 H ATOM 455 N TYR A 52 9.234 -0.502 -3.096 1.00 12.27 N ATOM 456 CA TYR A 52 8.894 0.254 -4.270 1.00 12.87 C ATOM 457 C TYR A 52 7.931 -0.503 -5.174 1.00 13.79 C ATOM 458 O TYR A 52 6.980 0.063 -5.747 1.00 15.06 O ATOM 459 CB TYR A 52 10.180 0.552 -5.049 1.00 12.57 C ATOM 460 CG TYR A 52 10.988 1.746 -4.583 1.00 12.49 C ATOM 461 CD1 TYR A 52 10.657 2.459 -3.430 1.00 11.79 C ATOM 462 CD2 TYR A 52 12.099 2.132 -5.320 1.00 12.64 C ATOM 463 CE1 TYR A 52 11.428 3.529 -3.003 1.00 12.07 C ATOM 464 CE2 TYR A 52 12.876 3.206 -4.941 1.00 13.16 C ATOM 465 CZ TYR A 52 12.548 3.906 -3.780 1.00 13.08 C ATOM 466 OH TYR A 52 13.310 4.998 -3.418 1.00 13.19 O ATOM 467 HH TYR A 52 12.954 5.384 -2.579 1.00 0.00 H ATOM 468 H TYR A 52 10.210 -0.843 -2.986 1.00 0.00 H ATOM 469 N GLY A 53 8.143 -1.824 -5.284 1.00 14.26 N ATOM 470 CA GLY A 53 7.278 -2.691 -6.059 1.00 16.12 C ATOM 471 C GLY A 53 5.841 -2.713 -5.531 1.00 16.07 C ATOM 472 O GLY A 53 4.900 -2.962 -6.342 1.00 18.85 O ATOM 473 H GLY A 53 8.960 -2.242 -4.794 1.00 0.00 H ATOM 474 N ASN A 54 5.658 -2.473 -4.242 1.00 16.48 N ATOM 475 CA ASN A 54 4.360 -2.390 -3.595 1.00 17.27 C ATOM 476 C ASN A 54 3.603 -1.122 -4.082 1.00 17.32 C ATOM 477 O ASN A 54 2.442 -0.964 -3.793 1.00 17.96 O ATOM 478 CB ASN A 54 4.444 -2.276 -2.037 1.00 18.92 C ATOM 479 CG ASN A 54 5.015 -3.489 -1.286 1.00 19.75 C ATOM 480 OD1 ASN A 54 4.783 -4.640 -1.583 1.00 24.03 O ATOM 481 ND2 ASN A 54 5.729 -3.179 -0.248 1.00 17.94 N ATOM 482 HD22 ASN A 54 5.910 -2.180 -0.021 1.00 0.00 H ATOM 483 HD21 ASN A 54 6.121 -3.929 0.357 1.00 0.00 H ATOM 484 H ASN A 54 6.503 -2.334 -3.651 1.00 0.00 H ATOM 485 N LEU A 55 4.296 -0.267 -4.830 1.00 17.00 N ATOM 486 CA LEU A 55 3.768 1.009 -5.324 1.00 17.12 C ATOM 487 C LEU A 55 3.971 1.253 -6.830 1.00 18.03 C ATOM 488 O LEU A 55 4.558 2.170 -7.289 1.00 16.90 O ATOM 489 CB LEU A 55 4.385 2.167 -4.560 1.00 16.59 C ATOM 490 CG LEU A 55 4.833 2.056 -3.125 1.00 15.43 C ATOM 491 CD1 LEU A 55 5.792 3.183 -2.728 1.00 15.03 C ATOM 492 CD2 LEU A 55 3.584 2.069 -2.269 1.00 17.26 C ATOM 493 H LEU A 55 5.273 -0.519 -5.080 1.00 0.00 H ATOM 494 N PRO A 56 3.298 0.310 -7.597 1.00 19.18 N ATOM 495 CA PRO A 56 3.494 0.422 -9.047 1.00 20.82 C ATOM 496 C PRO A 56 3.071 1.754 -9.705 1.00 21.08 C ATOM 497 O PRO A 56 3.479 2.022 -10.802 1.00 22.57 O ATOM 498 CB PRO A 56 2.596 -0.663 -9.584 1.00 22.18 C ATOM 499 CG PRO A 56 1.480 -0.700 -8.625 1.00 22.48 C ATOM 500 CD PRO A 56 2.298 -0.852 -7.421 1.00 20.67 C ATOM 501 N ASP A 59 1.955 2.611 -8.952 1.00 19.98 N ATOM 502 CA ASP A 59 1.623 3.847 -9.623 1.00 20.52 C ATOM 503 C ASP A 59 2.159 4.995 -8.817 1.00 19.43 C ATOM 504 O ASP A 59 1.828 6.141 -9.063 1.00 19.58 O ATOM 505 CB ASP A 59 0.123 3.954 -9.767 1.00 22.26 C ATOM 506 CG ASP A 59 -0.450 2.742 -10.437 1.00 24.24 C ATOM 507 OD1 ASP A 59 0.132 2.314 -11.469 1.00 24.83 O ATOM 508 OD2 ASP A 59 -1.453 2.202 -9.893 1.00 25.46 O ATOM 509 H ASP A 59 1.509 2.309 -8.063 1.00 0.00 H ATOM 510 N CYS A 61 3.435 4.687 -8.178 1.00 16.94 N ATOM 511 CA CYS A 61 4.294 5.718 -7.648 1.00 16.41 C ATOM 512 C CYS A 61 5.619 5.728 -8.386 1.00 16.64 C ATOM 513 O CYS A 61 5.934 4.846 -9.164 1.00 17.80 O ATOM 514 CB CYS A 61 4.528 5.594 -6.152 1.00 14.82 C ATOM 515 SG CYS A 61 2.994 5.496 -5.191 1.00 14.78 S ATOM 516 H CYS A 61 3.734 3.694 -8.102 1.00 0.00 H ATOM 517 N ASN A 67 6.347 6.985 -8.318 1.00 15.69 N ATOM 518 CA ASN A 67 7.539 7.195 -9.090 1.00 16.78 C ATOM 519 C ASN A 67 8.640 7.644 -8.135 1.00 16.78 C ATOM 520 O ASN A 67 8.938 8.842 -8.015 1.00 17.41 O ATOM 521 CB ASN A 67 7.240 8.153 -10.239 1.00 18.26 C ATOM 522 CG ASN A 67 6.167 7.600 -11.144 1.00 19.23 C ATOM 523 OD1 ASN A 67 4.977 7.868 -10.968 1.00 19.55 O ATOM 524 ND2 ASN A 67 6.570 6.806 -12.123 1.00 20.34 N ATOM 525 HD22 ASN A 67 7.583 6.601 -12.243 1.00 0.00 H ATOM 526 HD21 ASN A 67 5.874 6.387 -12.773 1.00 0.00 H ATOM 527 H ASN A 67 5.998 7.745 -7.700 1.00 0.00 H ATOM 528 N PRO A 68 9.238 6.688 -7.456 1.00 16.53 N ATOM 529 CA PRO A 68 10.155 7.080 -6.406 1.00 16.61 C ATOM 530 C PRO A 68 11.439 7.755 -6.809 1.00 18.34 C ATOM 531 O PRO A 68 12.031 8.417 -5.951 1.00 18.11 O ATOM 532 CB PRO A 68 10.443 5.775 -5.653 1.00 15.71 C ATOM 533 CG PRO A 68 10.005 4.704 -6.537 1.00 16.21 C ATOM 534 CD PRO A 68 8.910 5.255 -7.377 1.00 15.92 C ATOM 535 N LYS A 69 11.837 7.688 -8.077 1.00 20.16 N ATOM 536 CA LYS A 69 13.045 8.382 -8.511 1.00 22.60 C ATOM 537 C LYS A 69 12.824 9.883 -8.576 1.00 23.65 C ATOM 538 O LYS A 69 13.728 10.668 -8.293 1.00 25.20 O ATOM 539 CB LYS A 69 13.517 7.878 -9.881 1.00 25.69 C ATOM 540 CG LYS A 69 13.411 6.372 -10.074 1.00 26.97 C ATOM 541 CD LYS A 69 13.982 5.540 -8.946 1.00 27.34 C ATOM 542 CE LYS A 69 13.618 4.074 -9.175 1.00 28.00 C ATOM 543 NZ LYS A 69 13.977 3.116 -8.090 1.00 25.69 N ATOM 544 HZ1 LYS A 69 15.006 3.132 -7.942 1.00 0.00 H ATOM 545 HZ2 LYS A 69 13.495 3.393 -7.211 1.00 0.00 H ATOM 546 HZ3 LYS A 69 13.679 2.158 -8.363 1.00 0.00 H ATOM 547 H LYS A 69 11.283 7.137 -8.764 1.00 0.00 H ATOM 548 N SER A 70 11.609 10.264 -8.952 1.00 23.34 N ATOM 549 CA SER A 70 11.287 11.628 -9.322 1.00 24.15 C ATOM 550 C SER A 70 10.415 12.313 -8.291 1.00 22.29 C ATOM 551 O SER A 70 10.331 13.545 -8.238 1.00 22.69 O ATOM 552 CB SER A 70 10.555 11.656 -10.672 1.00 26.85 C ATOM 553 OG SER A 70 9.271 11.044 -10.571 1.00 26.78 O ATOM 554 HG SER A 70 8.822 11.075 -11.453 1.00 0.00 H ATOM 555 H SER A 70 10.853 9.550 -8.982 1.00 0.00 H ATOM 556 N ASP A 71 9.696 11.535 -7.506 1.00 19.65 N ATOM 557 CA ASP A 71 8.739 12.143 -6.604 1.00 19.17 C ATOM 558 C ASP A 71 9.441 12.580 -5.307 1.00 18.18 C ATOM 559 O ASP A 71 9.959 11.742 -4.564 1.00 17.15 O ATOM 560 CB ASP A 71 7.616 11.158 -6.302 1.00 17.98 C ATOM 561 CG ASP A 71 6.376 11.841 -5.776 1.00 18.10 C ATOM 562 OD1 ASP A 71 6.379 13.074 -5.538 1.00 18.83 O ATOM 563 OD2 ASP A 71 5.394 11.116 -5.603 1.00 16.66 O ATOM 564 H ASP A 71 9.814 10.502 -7.534 1.00 0.00 H ATOM 565 N ARG A 72 9.440 13.894 -5.049 1.00 19.49 N ATOM 566 CA ARG A 72 10.068 14.441 -3.820 1.00 20.44 C ATOM 567 C ARG A 72 9.119 14.398 -2.645 1.00 19.49 C ATOM 568 O ARG A 72 7.960 14.782 -2.763 1.00 20.12 O ATOM 569 CB ARG A 72 10.516 15.891 -4.054 1.00 22.83 C ATOM 570 CG ARG A 72 11.740 15.999 -4.964 1.00 24.35 C ATOM 571 CD ARG A 72 12.429 17.343 -4.890 1.00 26.55 C ATOM 572 NE ARG A 72 13.429 17.442 -5.950 1.00 28.08 N ATOM 573 CZ ARG A 72 14.151 18.531 -6.193 1.00 30.66 C ATOM 574 NH1 ARG A 72 15.017 18.532 -7.193 1.00 33.07 N ATOM 575 NH2 ARG A 72 14.003 19.620 -5.446 1.00 32.13 N ATOM 576 HE ARG A 72 13.586 16.609 -6.552 1.00 0.00 H ATOM 577 HH12 ARG A 72 15.585 19.381 -7.388 1.00 0.00 H ATOM 578 HH11 ARG A 72 15.130 17.684 -7.784 1.00 0.00 H ATOM 579 HH22 ARG A 72 14.572 20.468 -5.644 1.00 0.00 H ATOM 580 HH21 ARG A 72 13.318 19.625 -4.664 1.00 0.00 H ATOM 581 H ARG A 72 8.990 14.545 -5.724 1.00 0.00 H ATOM 582 N TYR A 73 9.607 13.905 -1.516 1.00 19.47 N ATOM 583 CA TYR A 73 8.840 13.934 -0.275 1.00 19.93 C ATOM 584 C TYR A 73 9.552 14.827 0.739 1.00 21.80 C ATOM 585 O TYR A 73 10.717 15.210 0.547 1.00 23.12 O ATOM 586 CB TYR A 73 8.608 12.510 0.268 1.00 18.59 C ATOM 587 CG TYR A 73 9.888 11.724 0.325 1.00 17.27 C ATOM 588 CD1 TYR A 73 10.765 11.901 1.405 1.00 17.14 C ATOM 589 CD2 TYR A 73 10.264 10.808 -0.688 1.00 16.68 C ATOM 590 CE1 TYR A 73 11.962 11.230 1.472 1.00 17.13 C ATOM 591 CE2 TYR A 73 11.486 10.110 -0.631 1.00 16.54 C ATOM 592 CZ TYR A 73 12.302 10.282 0.484 1.00 15.33 C ATOM 593 OH TYR A 73 13.543 9.691 0.638 1.00 15.61 O ATOM 594 HH TYR A 73 13.444 8.706 0.611 1.00 0.00 H ATOM 595 H TYR A 73 10.559 13.487 -1.514 1.00 0.00 H ATOM 596 N LYS A 74 8.854 15.183 1.815 1.00 22.73 N ATOM 597 CA LYS A 74 9.518 15.881 2.901 1.00 23.79 C ATOM 598 C LYS A 74 9.672 14.979 4.131 1.00 21.66 C ATOM 599 O LYS A 74 8.822 14.162 4.442 1.00 20.13 O ATOM 600 CB LYS A 74 8.809 17.192 3.249 1.00 27.32 C ATOM 601 CG LYS A 74 8.854 18.261 2.159 1.00 31.23 C ATOM 602 CD LYS A 74 10.251 18.836 1.944 1.00 33.23 C ATOM 603 CE LYS A 74 10.375 19.373 0.519 1.00 35.76 C ATOM 604 NZ LYS A 74 11.555 20.253 0.290 1.00 39.25 N ATOM 605 HZ1 LYS A 74 11.498 21.078 0.921 1.00 0.00 H ATOM 606 HZ2 LYS A 74 12.426 19.722 0.490 1.00 0.00 H ATOM 607 HZ3 LYS A 74 11.561 20.572 -0.700 1.00 0.00 H ATOM 608 H LYS A 74 7.840 14.963 1.877 1.00 0.00 H ATOM 609 N TYR A 75 10.806 15.116 4.793 1.00 20.85 N ATOM 610 CA TYR A 75 10.989 14.491 6.081 1.00 20.18 C ATOM 611 C TYR A 75 11.779 15.390 7.009 1.00 21.85 C ATOM 612 O TYR A 75 12.500 16.311 6.589 1.00 22.72 O ATOM 613 CB TYR A 75 11.667 13.124 5.975 1.00 19.24 C ATOM 614 CG TYR A 75 13.126 13.162 5.599 1.00 19.32 C ATOM 615 CD1 TYR A 75 13.500 13.292 4.276 1.00 18.95 C ATOM 616 CD2 TYR A 75 14.115 13.052 6.566 1.00 19.47 C ATOM 617 CE1 TYR A 75 14.810 13.285 3.914 1.00 19.29 C ATOM 618 CE2 TYR A 75 15.453 13.037 6.224 1.00 19.76 C ATOM 619 CZ TYR A 75 15.781 13.177 4.889 1.00 20.05 C ATOM 620 OH TYR A 75 17.082 13.139 4.502 1.00 21.66 O ATOM 621 HH TYR A 75 17.137 13.254 3.520 1.00 0.00 H ATOM 622 H TYR A 75 11.576 15.681 4.382 1.00 0.00 H ATOM 623 N LYS A 76 11.630 15.103 8.285 1.00 22.34 N ATOM 624 CA LYS A 76 12.334 15.853 9.286 1.00 23.49 C ATOM 625 C LYS A 76 13.049 14.918 10.210 1.00 23.77 C ATOM 626 O LYS A 76 12.987 13.682 10.071 1.00 21.64 O ATOM 627 CB LYS A 76 11.338 16.673 10.082 1.00 25.29 C ATOM 628 CG LYS A 76 10.375 15.826 10.875 1.00 25.35 C ATOM 629 CD LYS A 76 9.432 16.768 11.587 1.00 27.03 C ATOM 630 CE LYS A 76 8.141 16.100 12.020 1.00 27.64 C ATOM 631 NZ LYS A 76 7.477 16.947 13.045 1.00 30.30 N ATOM 632 HZ1 LYS A 76 8.108 17.056 13.865 1.00 0.00 H ATOM 633 HZ2 LYS A 76 7.270 17.882 12.639 1.00 0.00 H ATOM 634 HZ3 LYS A 76 6.591 16.494 13.346 1.00 0.00 H ATOM 635 H LYS A 76 10.998 14.328 8.570 1.00 0.00 H ATOM 636 N ARG A 77 13.769 15.505 11.123 1.00 26.47 N ATOM 637 CA ARG A 77 14.409 14.737 12.154 1.00 28.09 C ATOM 638 C ARG A 77 13.913 15.085 13.574 1.00 30.80 C ATOM 639 O ARG A 77 13.857 16.228 13.979 1.00 32.51 O ATOM 640 CB ARG A 77 15.900 14.754 11.960 1.00 28.51 C ATOM 641 CG ARG A 77 16.257 13.926 10.758 1.00 26.98 C ATOM 642 CD ARG A 77 17.634 13.345 10.882 1.00 27.25 C ATOM 643 NE ARG A 77 18.076 12.646 9.723 1.00 24.67 N ATOM 644 CZ ARG A 77 18.367 11.354 9.677 1.00 23.45 C ATOM 645 NH1 ARG A 77 18.257 10.620 10.741 1.00 23.94 N ATOM 646 NH2 ARG A 77 18.794 10.817 8.592 1.00 22.21 N ATOM 647 HE ARG A 77 18.178 13.192 8.844 1.00 0.00 H ATOM 648 HH12 ARG A 77 18.487 9.607 10.700 1.00 0.00 H ATOM 649 HH11 ARG A 77 17.939 11.045 11.635 1.00 0.00 H ATOM 650 HH22 ARG A 77 19.019 9.802 8.568 1.00 0.00 H ATOM 651 HH21 ARG A 77 18.915 11.397 7.737 1.00 0.00 H ATOM 652 H ARG A 77 13.881 16.539 11.105 1.00 0.00 H ATOM 653 N VAL A 78 13.505 14.034 14.285 1.00 31.87 N ATOM 654 CA VAL A 78 13.019 14.161 15.635 1.00 34.77 C ATOM 655 C VAL A 78 13.831 13.246 16.545 1.00 36.65 C ATOM 656 O VAL A 78 13.472 12.138 16.746 1.00 36.97 O ATOM 657 CB VAL A 78 11.530 13.873 15.721 1.00 34.11 C ATOM 658 CG1 VAL A 78 11.041 14.002 17.142 1.00 36.63 C ATOM 659 CG2 VAL A 78 10.758 14.844 14.898 1.00 34.24 C ATOM 660 H VAL A 78 13.539 13.090 13.850 1.00 0.00 H ATOM 661 N ASN A 79 14.858 13.776 17.160 1.00 39.06 N ATOM 662 CA ASN A 79 15.885 13.003 17.874 1.00 40.40 C ATOM 663 C ASN A 79 17.050 12.494 17.084 1.00 38.88 C ATOM 664 O ASN A 79 17.826 11.722 17.574 1.00 39.55 O ATOM 665 CB ASN A 79 15.342 11.837 18.673 1.00 41.55 C ATOM 666 CG ASN A 79 14.788 12.254 19.985 1.00 44.95 C ATOM 667 OD1 ASN A 79 13.629 12.470 20.111 1.00 45.79 O ATOM 668 ND2 ASN A 79 15.618 12.323 20.975 1.00 47.81 N ATOM 669 HD22 ASN A 79 16.628 12.126 20.822 1.00 0.00 H ATOM 670 HD21 ASN A 79 15.276 12.576 21.924 1.00 0.00 H ATOM 671 H ASN A 79 14.954 14.811 17.142 1.00 0.00 H ATOM 672 N GLY A 80 17.141 12.905 15.853 1.00 36.37 N ATOM 673 CA GLY A 80 17.964 12.225 14.907 1.00 33.76 C ATOM 674 C GLY A 80 17.143 11.145 14.244 1.00 30.30 C ATOM 675 O GLY A 80 17.632 10.541 13.375 1.00 30.13 O ATOM 676 H GLY A 80 16.604 13.744 15.553 1.00 0.00 H ATOM 677 N ALA A 81 15.912 10.917 14.683 1.00 29.18 N ATOM 678 CA ALA A 81 15.061 9.921 14.029 1.00 26.39 C ATOM 679 C ALA A 81 14.442 10.548 12.804 1.00 24.42 C ATOM 680 O ALA A 81 14.028 11.686 12.876 1.00 25.70 O ATOM 681 CB ALA A 81 13.965 9.429 14.961 1.00 27.55 C ATOM 682 H ALA A 81 15.548 11.450 15.499 1.00 0.00 H ATOM 683 N ILE A 82 14.404 9.800 11.707 1.00 21.65 N ATOM 684 CA ILE A 82 13.683 10.227 10.484 1.00 19.30 C ATOM 685 C ILE A 82 12.174 10.170 10.715 1.00 19.52 C ATOM 686 O ILE A 82 11.638 9.146 11.126 1.00 19.94 O ATOM 687 CB ILE A 82 14.044 9.343 9.251 1.00 17.54 C ATOM 688 CG1 ILE A 82 15.566 9.359 9.032 1.00 18.03 C ATOM 689 CG2 ILE A 82 13.250 9.751 8.004 1.00 17.14 C ATOM 690 CD1 ILE A 82 16.054 8.343 8.026 1.00 17.98 C ATOM 691 H ILE A 82 14.897 8.884 11.706 1.00 0.00 H ATOM 692 N VAL A 83 11.499 11.262 10.420 1.00 19.08 N ATOM 693 CA VAL A 83 10.029 11.326 10.519 1.00 19.09 C ATOM 694 C VAL A 83 9.524 11.817 9.180 1.00 17.88 C ATOM 695 O VAL A 83 9.746 12.966 8.795 1.00 18.64 O ATOM 696 CB VAL A 83 9.530 12.190 11.693 1.00 21.30 C ATOM 697 CG1 VAL A 83 8.023 12.173 11.728 1.00 22.07 C ATOM 698 CG2 VAL A 83 10.075 11.662 13.019 1.00 22.77 C ATOM 699 H VAL A 83 12.020 12.106 10.107 1.00 0.00 H ATOM 700 N CYS A 84 8.902 10.926 8.438 1.00 16.47 N ATOM 701 CA CYS A 84 8.257 11.286 7.187 1.00 16.60 C ATOM 702 C CYS A 84 7.100 12.252 7.418 1.00 18.25 C ATOM 703 O CYS A 84 6.311 12.088 8.326 1.00 20.83 O ATOM 704 CB CYS A 84 7.767 10.009 6.470 1.00 15.66 C ATOM 705 SG CYS A 84 9.153 9.001 5.867 1.00 15.29 S ATOM 706 H CYS A 84 8.871 9.936 8.756 1.00 0.00 H ATOM 707 N GLU A 85 7.074 13.327 6.656 1.00 18.85 N ATOM 708 CA GLU A 85 6.011 14.311 6.821 1.00 20.41 C ATOM 709 C GLU A 85 4.956 14.182 5.752 1.00 20.03 C ATOM 710 O GLU A 85 5.218 13.656 4.667 1.00 19.13 O ATOM 711 CB GLU A 85 6.580 15.727 6.849 1.00 21.87 C ATOM 712 CG GLU A 85 7.463 15.991 8.049 1.00 23.72 C ATOM 713 CD GLU A 85 8.334 17.215 7.857 1.00 25.63 C ATOM 714 OE1 GLU A 85 9.185 17.169 6.946 1.00 26.23 O ATOM 715 OE2 GLU A 85 8.193 18.188 8.624 1.00 27.21 O ATOM 716 H GLU A 85 7.811 13.473 5.937 1.00 0.00 H ATOM 717 N LYS A 86 3.755 14.669 6.056 1.00 20.85 N ATOM 718 CA LYS A 86 2.580 14.544 5.203 1.00 21.40 C ATOM 719 C LYS A 86 2.812 15.046 3.822 1.00 20.40 C ATOM 720 O LYS A 86 2.996 16.166 3.664 1.00 22.15 O ATOM 721 CB LYS A 86 1.391 15.290 5.785 1.00 23.13 C ATOM 722 CG LYS A 86 0.125 15.180 4.922 1.00 24.58 C ATOM 723 CD LYS A 86 -1.193 15.507 5.606 1.00 26.49 C ATOM 724 CE LYS A 86 -1.901 16.593 4.848 1.00 29.60 C ATOM 725 NZ LYS A 86 -3.083 16.272 4.002 1.00 31.64 N ATOM 726 HZ1 LYS A 86 -2.806 15.594 3.264 1.00 0.00 H ATOM 727 HZ2 LYS A 86 -3.829 15.855 4.595 1.00 0.00 H ATOM 728 HZ3 LYS A 86 -3.437 17.143 3.558 1.00 0.00 H ATOM 729 H LYS A 86 3.648 15.171 6.961 1.00 0.00 H ATOM 730 N GLY A 88 2.664 14.178 2.661 1.00 18.80 N ATOM 731 CA GLY A 88 2.538 14.716 1.328 1.00 19.05 C ATOM 732 C GLY A 88 1.400 13.988 0.670 1.00 19.14 C ATOM 733 O GLY A 88 0.358 13.744 1.289 1.00 21.19 O ATOM 734 H GLY A 88 2.649 13.147 2.796 1.00 0.00 H ATOM 735 N THR A 89 1.612 13.633 -0.586 1.00 18.12 N ATOM 736 CA THR A 89 0.691 12.754 -1.316 1.00 17.39 C ATOM 737 C THR A 89 0.836 11.363 -0.772 1.00 16.32 C ATOM 738 O THR A 89 1.861 11.024 -0.151 1.00 15.51 O ATOM 739 CB THR A 89 0.996 12.716 -2.825 1.00 17.00 C ATOM 740 OG1 THR A 89 2.276 12.101 -3.028 1.00 15.48 O ATOM 741 CG2 THR A 89 1.014 14.145 -3.433 1.00 18.26 C ATOM 742 HG1 THR A 89 2.478 12.074 -3.997 1.00 0.00 H ATOM 743 H THR A 89 2.460 13.989 -1.073 1.00 0.00 H ATOM 744 N SER A 90 -0.157 10.517 -1.013 1.00 17.27 N ATOM 745 CA SER A 90 -0.025 9.134 -0.550 1.00 16.41 C ATOM 746 C SER A 90 1.245 8.454 -1.064 1.00 15.05 C ATOM 747 O SER A 90 1.945 7.831 -0.294 1.00 14.57 O ATOM 748 CB SER A 90 -1.224 8.259 -0.854 1.00 18.43 C ATOM 749 OG SER A 90 -1.823 8.596 -2.050 1.00 22.12 O ATOM 750 HG SER A 90 -1.169 8.491 -2.786 1.00 0.00 H ATOM 751 H SER A 90 -1.010 10.829 -1.519 1.00 0.00 H ATOM 752 N CYS A 91 1.563 8.670 -2.355 1.00 15.00 N ATOM 753 CA CYS A 91 2.791 8.163 -2.928 1.00 14.16 C ATOM 754 C CYS A 91 4.016 8.662 -2.191 1.00 13.60 C ATOM 755 O CYS A 91 4.912 7.893 -1.870 1.00 13.42 O ATOM 756 CB CYS A 91 2.924 8.501 -4.409 1.00 15.10 C ATOM 757 SG CYS A 91 2.080 7.346 -5.533 1.00 15.84 S ATOM 758 H CYS A 91 0.910 9.214 -2.954 1.00 0.00 H ATOM 759 N GLU A 92 4.060 9.972 -1.929 1.00 14.17 N ATOM 760 CA GLU A 92 5.226 10.525 -1.243 1.00 14.36 C ATOM 761 C GLU A 92 5.371 9.965 0.157 1.00 13.88 C ATOM 762 O GLU A 92 6.471 9.699 0.588 1.00 14.58 O ATOM 763 CB GLU A 92 5.133 12.049 -1.246 1.00 14.98 C ATOM 764 CG GLU A 92 5.420 12.625 -2.611 1.00 15.84 C ATOM 765 CD GLU A 92 4.791 13.997 -2.855 1.00 16.99 C ATOM 766 OE1 GLU A 92 4.181 14.609 -1.936 1.00 17.53 O ATOM 767 OE2 GLU A 92 4.923 14.524 -3.987 1.00 17.80 O ATOM 768 H GLU A 92 3.273 10.591 -2.210 1.00 0.00 H ATOM 769 N ASN A 93 4.256 9.771 0.853 1.00 14.83 N ATOM 770 CA ASN A 93 4.298 9.223 2.204 1.00 15.01 C ATOM 771 C ASN A 93 4.907 7.829 2.186 1.00 13.81 C ATOM 772 O ASN A 93 5.835 7.546 2.975 1.00 14.04 O ATOM 773 CB ASN A 93 2.880 9.213 2.825 1.00 16.07 C ATOM 774 CG ASN A 93 2.329 10.600 3.084 1.00 17.71 C ATOM 775 OD1 ASN A 93 3.061 11.582 3.137 1.00 19.25 O ATOM 776 ND2 ASN A 93 1.001 10.694 3.209 1.00 18.40 N ATOM 777 HD22 ASN A 93 0.412 9.838 3.159 1.00 0.00 H ATOM 778 HD21 ASN A 93 0.557 11.623 3.357 1.00 0.00 H ATOM 779 H ASN A 93 3.339 10.014 0.428 1.00 0.00 H ATOM 780 N ARG A 94 4.451 6.999 1.235 1.00 13.81 N ATOM 781 CA ARG A 94 4.829 5.612 1.123 1.00 13.25 C ATOM 782 C ARG A 94 6.241 5.470 0.627 1.00 11.81 C ATOM 783 O ARG A 94 7.030 4.693 1.192 1.00 13.52 O ATOM 784 CB ARG A 94 3.873 4.888 0.211 1.00 14.14 C ATOM 785 CG ARG A 94 2.497 4.813 0.862 1.00 16.04 C ATOM 786 CD ARG A 94 1.472 4.410 -0.154 1.00 17.33 C ATOM 787 NE ARG A 94 1.340 2.961 -0.203 1.00 19.76 N ATOM 788 CZ ARG A 94 0.481 2.332 -0.997 1.00 21.56 C ATOM 789 NH1 ARG A 94 -0.253 3.044 -1.860 1.00 24.60 N ATOM 790 NH2 ARG A 94 0.379 0.995 -0.945 1.00 22.52 N ATOM 791 HE ARG A 94 1.950 2.389 0.416 1.00 0.00 H ATOM 792 HH12 ARG A 94 -0.929 2.564 -2.487 1.00 0.00 H ATOM 793 HH11 ARG A 94 -0.147 4.078 -1.903 1.00 0.00 H ATOM 794 HH22 ARG A 94 -0.293 0.500 -1.566 1.00 0.00 H ATOM 795 HH21 ARG A 94 0.972 0.454 -0.284 1.00 0.00 H ATOM 796 H ARG A 94 3.783 7.380 0.535 1.00 0.00 H ATOM 797 N ILE A 95 6.609 6.321 -0.335 1.00 11.93 N ATOM 798 CA ILE A 95 8.000 6.277 -0.793 1.00 11.31 C ATOM 799 C ILE A 95 8.920 6.664 0.356 1.00 11.12 C ATOM 800 O ILE A 95 9.930 6.020 0.579 1.00 11.41 O ATOM 801 CB ILE A 95 8.231 7.248 -1.953 1.00 11.55 C ATOM 802 CG1 ILE A 95 7.412 6.795 -3.182 1.00 12.37 C ATOM 803 CG2 ILE A 95 9.711 7.320 -2.298 1.00 12.02 C ATOM 804 CD1 ILE A 95 7.456 7.762 -4.321 1.00 13.27 C ATOM 805 H ILE A 95 5.930 6.993 -0.746 1.00 0.00 H ATOM 806 N CYS A 96 8.552 7.730 1.085 1.00 11.56 N ATOM 807 CA CYS A 96 9.349 8.147 2.229 1.00 11.88 C ATOM 808 C CYS A 96 9.575 6.989 3.198 1.00 11.27 C ATOM 809 O CYS A 96 10.700 6.745 3.652 1.00 11.51 O ATOM 810 CB CYS A 96 8.707 9.363 2.933 1.00 12.99 C ATOM 811 SG CYS A 96 9.813 9.978 4.211 1.00 14.01 S ATOM 812 H CYS A 96 7.694 8.260 0.831 1.00 0.00 H ATOM 813 N GLU A 97 8.500 6.299 3.531 1.00 11.59 N ATOM 814 CA GLU A 97 8.648 5.147 4.453 1.00 11.95 C ATOM 815 C GLU A 97 9.523 4.019 3.902 1.00 11.82 C ATOM 816 O GLU A 97 10.308 3.418 4.641 1.00 11.87 O ATOM 817 CB GLU A 97 7.300 4.613 4.930 1.00 13.57 C ATOM 818 CG GLU A 97 6.497 5.600 5.761 1.00 15.31 C ATOM 819 CD GLU A 97 7.058 5.903 7.135 1.00 16.06 C ATOM 820 OE1 GLU A 97 7.866 5.131 7.707 1.00 17.26 O ATOM 821 OE2 GLU A 97 6.658 6.963 7.663 1.00 17.93 O ATOM 822 H GLU A 97 7.566 6.559 3.154 1.00 0.00 H ATOM 823 N CYS A 98 9.462 3.782 2.604 1.00 11.43 N ATOM 824 CA CYS A 98 10.387 2.852 2.001 1.00 10.98 C ATOM 825 C CYS A 98 11.832 3.265 2.154 1.00 10.38 C ATOM 826 O CYS A 98 12.682 2.482 2.528 1.00 10.86 O ATOM 827 CB CYS A 98 10.137 2.550 0.525 1.00 11.20 C ATOM 828 SG CYS A 98 8.538 1.825 0.183 1.00 12.27 S ATOM 829 H CYS A 98 8.750 4.264 2.018 1.00 0.00 H ATOM 830 N ASP A 99 12.064 4.562 1.831 1.00 10.70 N ATOM 831 CA ASP A 99 13.459 5.071 1.861 1.00 10.72 C ATOM 832 C ASP A 99 14.014 5.129 3.269 1.00 10.90 C ATOM 833 O ASP A 99 15.175 4.755 3.549 1.00 11.99 O ATOM 834 CB ASP A 99 13.528 6.474 1.243 1.00 11.67 C ATOM 835 CG ASP A 99 13.361 6.459 -0.283 1.00 12.00 C ATOM 836 OD1 ASP A 99 13.236 5.388 -0.878 1.00 12.82 O ATOM 837 OD2 ASP A 99 13.387 7.548 -0.886 1.00 13.63 O ATOM 838 H ASP A 99 11.278 5.190 1.567 1.00 0.00 H ATOM 839 N LYS A 100 13.190 5.615 4.185 1.00 11.52 N ATOM 840 CA LYS A 100 13.557 5.633 5.597 1.00 12.01 C ATOM 841 C LYS A 100 13.992 4.228 6.140 1.00 11.69 C ATOM 842 O LYS A 100 15.041 4.058 6.806 1.00 12.12 O ATOM 843 CB LYS A 100 12.356 6.124 6.426 1.00 12.89 C ATOM 844 CG LYS A 100 12.588 5.979 7.915 1.00 13.72 C ATOM 845 CD LYS A 100 11.367 6.425 8.697 1.00 14.69 C ATOM 846 CE LYS A 100 11.498 6.094 10.180 1.00 16.77 C ATOM 847 NZ LYS A 100 10.247 6.577 10.848 1.00 17.15 N ATOM 848 HZ1 LYS A 100 10.154 7.603 10.706 1.00 0.00 H ATOM 849 HZ2 LYS A 100 9.425 6.093 10.434 1.00 0.00 H ATOM 850 HZ3 LYS A 100 10.297 6.369 11.866 1.00 0.00 H ATOM 851 H LYS A 100 12.265 5.990 3.893 1.00 0.00 H ATOM 852 N ALA A 101 13.208 3.231 5.818 1.00 11.42 N ATOM 853 CA ALA A 101 13.533 1.879 6.224 1.00 11.41 C ATOM 854 C ALA A 101 14.882 1.419 5.671 1.00 12.23 C ATOM 855 O ALA A 101 15.704 0.867 6.384 1.00 12.50 O ATOM 856 CB ALA A 101 12.429 0.920 5.796 1.00 11.17 C ATOM 857 H ALA A 101 12.345 3.411 5.266 1.00 0.00 H ATOM 858 N ALA A 102 15.089 1.676 4.394 1.00 11.75 N ATOM 859 CA ALA A 102 16.342 1.274 3.754 1.00 12.20 C ATOM 860 C ALA A 102 17.538 1.981 4.405 1.00 12.79 C ATOM 861 O ALA A 102 18.531 1.360 4.728 1.00 13.82 O ATOM 862 CB ALA A 102 16.291 1.627 2.282 1.00 12.27 C ATOM 863 H ALA A 102 14.359 2.166 3.840 1.00 0.00 H ATOM 864 N ALA A 103 17.434 3.311 4.606 1.00 12.73 N ATOM 865 CA ALA A 103 18.540 4.042 5.223 1.00 13.83 C ATOM 866 C ALA A 103 18.866 3.512 6.634 1.00 13.67 C ATOM 867 O ALA A 103 20.014 3.358 7.043 1.00 14.47 O ATOM 868 CB ALA A 103 18.243 5.533 5.261 1.00 14.03 C ATOM 869 H ALA A 103 16.569 3.815 4.323 1.00 0.00 H ATOM 870 N ILE A 104 17.830 3.244 7.416 1.00 13.82 N ATOM 871 CA ILE A 104 18.008 2.660 8.729 1.00 14.69 C ATOM 872 C ILE A 104 18.620 1.266 8.666 1.00 14.75 C ATOM 873 O ILE A 104 19.517 0.954 9.451 1.00 15.40 O ATOM 874 CB ILE A 104 16.694 2.662 9.541 1.00 14.74 C ATOM 875 CG1 ILE A 104 16.341 4.103 9.905 1.00 15.79 C ATOM 876 CG2 ILE A 104 16.786 1.748 10.777 1.00 15.90 C ATOM 877 CD1 ILE A 104 14.908 4.290 10.360 1.00 15.72 C ATOM 878 H ILE A 104 16.869 3.458 7.080 1.00 0.00 H ATOM 879 N CYS A 105 18.166 0.469 7.708 1.00 14.34 N ATOM 880 CA CYS A 105 18.700 -0.850 7.493 1.00 14.49 C ATOM 881 C CYS A 105 20.155 -0.767 7.101 1.00 14.91 C ATOM 882 O CYS A 105 20.949 -1.499 7.675 1.00 15.28 O ATOM 883 CB CYS A 105 17.917 -1.544 6.387 1.00 13.58 C ATOM 884 SG CYS A 105 18.195 -3.318 6.208 1.00 15.68 S ATOM 885 H CYS A 105 17.399 0.808 7.092 1.00 0.00 H ATOM 886 N PHE A 106 20.530 0.150 6.193 1.00 14.87 N ATOM 887 CA PHE A 106 21.960 0.318 5.893 1.00 15.81 C ATOM 888 C PHE A 106 22.682 0.574 7.213 1.00 16.61 C ATOM 889 O PHE A 106 23.714 -0.053 7.495 1.00 17.73 O ATOM 890 CB PHE A 106 22.174 1.466 4.869 1.00 16.11 C ATOM 891 CG PHE A 106 21.602 1.188 3.487 1.00 15.68 C ATOM 892 CD1 PHE A 106 21.428 -0.127 3.021 1.00 15.97 C ATOM 893 CD2 PHE A 106 21.318 2.238 2.618 1.00 15.63 C ATOM 894 CE1 PHE A 106 20.910 -0.352 1.745 1.00 16.02 C ATOM 895 CE2 PHE A 106 20.828 2.021 1.347 1.00 16.02 C ATOM 896 CZ PHE A 106 20.629 0.708 0.911 1.00 15.50 C ATOM 897 H PHE A 106 19.818 0.733 5.709 1.00 0.00 H ATOM 898 N ARG A 107 22.183 1.524 8.005 1.00 16.77 N ATOM 899 CA ARG A 107 22.843 1.917 9.264 1.00 18.70 C ATOM 900 C ARG A 107 23.057 0.733 10.198 1.00 19.71 C ATOM 901 O ARG A 107 24.152 0.562 10.788 1.00 21.91 O ATOM 902 CB ARG A 107 21.958 2.960 9.963 1.00 19.14 C ATOM 903 CG ARG A 107 22.391 3.343 11.370 1.00 21.23 C ATOM 904 CD ARG A 107 23.720 4.063 11.288 1.00 22.87 C ATOM 905 NE ARG A 107 24.279 4.440 12.578 1.00 24.77 N ATOM 906 CZ ARG A 107 25.132 3.697 13.271 1.00 26.64 C ATOM 907 NH1 ARG A 107 25.618 4.138 14.420 1.00 28.80 N ATOM 908 NH2 ARG A 107 25.508 2.500 12.809 1.00 26.39 N ATOM 909 HE ARG A 107 23.990 5.353 12.984 1.00 0.00 H ATOM 910 HH12 ARG A 107 26.287 3.553 14.961 1.00 0.00 H ATOM 911 HH11 ARG A 107 25.331 5.070 14.782 1.00 0.00 H ATOM 912 HH22 ARG A 107 26.177 1.919 13.354 1.00 0.00 H ATOM 913 HH21 ARG A 107 25.132 2.150 11.905 1.00 0.00 H ATOM 914 H ARG A 107 21.302 2.002 7.727 1.00 0.00 H ATOM 915 N GLN A 108 22.002 -0.076 10.322 1.00 19.25 N ATOM 916 CA GLN A 108 22.016 -1.245 11.185 1.00 20.72 C ATOM 917 C GLN A 108 23.049 -2.264 10.726 1.00 21.03 C ATOM 918 O GLN A 108 23.512 -3.067 11.533 1.00 23.49 O ATOM 919 CB GLN A 108 20.610 -1.853 11.231 1.00 20.52 C ATOM 920 CG GLN A 108 20.392 -2.976 12.226 1.00 22.94 C ATOM 921 CD GLN A 108 18.997 -3.009 12.788 1.00 23.14 C ATOM 922 OE1 GLN A 108 18.798 -3.057 14.017 1.00 26.16 O ATOM 923 NE2 GLN A 108 18.028 -2.993 11.915 1.00 22.37 N ATOM 924 HE22 GLN A 108 18.244 -2.952 10.899 1.00 0.00 H ATOM 925 HE21 GLN A 108 17.039 -3.021 12.235 1.00 0.00 H ATOM 926 H GLN A 108 21.140 0.138 9.782 1.00 0.00 H ATOM 927 N ASN A 109 23.401 -2.224 9.440 1.00 19.92 N ATOM 928 CA ASN A 109 24.266 -3.254 8.861 1.00 20.62 C ATOM 929 C ASN A 109 25.654 -2.778 8.353 1.00 21.47 C ATOM 930 O ASN A 109 26.342 -3.504 7.622 1.00 21.44 O ATOM 931 CB ASN A 109 23.469 -4.040 7.826 1.00 19.43 C ATOM 932 CG ASN A 109 22.360 -4.853 8.458 1.00 18.88 C ATOM 933 OD1 ASN A 109 22.602 -5.741 9.284 1.00 20.22 O ATOM 934 ND2 ASN A 109 21.121 -4.529 8.109 1.00 17.73 N ATOM 935 HD22 ASN A 109 20.958 -3.776 7.410 1.00 0.00 H ATOM 936 HD21 ASN A 109 20.314 -5.028 8.534 1.00 0.00 H ATOM 937 H ASN A 109 23.056 -1.449 8.839 1.00 0.00 H ATOM 938 N LEU A 110 26.035 -1.557 8.754 1.00 22.11 N ATOM 939 CA LEU A 110 27.384 -1.050 8.486 1.00 23.53 C ATOM 940 C LEU A 110 28.469 -1.967 8.990 1.00 26.02 C ATOM 941 O LEU A 110 29.540 -2.038 8.407 1.00 27.35 O ATOM 942 CB LEU A 110 27.559 0.340 9.090 1.00 24.03 C ATOM 943 CG LEU A 110 26.737 1.402 8.377 1.00 23.02 C ATOM 944 CD1 LEU A 110 26.854 2.751 9.082 1.00 23.82 C ATOM 945 CD2 LEU A 110 27.205 1.492 6.920 1.00 22.55 C ATOM 946 H LEU A 110 25.358 -0.956 9.267 1.00 0.00 H ATOM 947 N ASN A 111 28.140 -2.712 10.041 1.00 27.12 N ATOM 948 CA ASN A 111 29.088 -3.654 10.651 1.00 29.59 C ATOM 949 C ASN A 111 29.428 -4.850 9.766 1.00 29.28 C ATOM 950 O ASN A 111 30.443 -5.524 10.010 1.00 30.92 O ATOM 951 CB ASN A 111 28.628 -4.094 12.057 1.00 31.69 C ATOM 952 CG ASN A 111 27.333 -4.914 12.057 1.00 31.18 C ATOM 953 OD1 ASN A 111 27.012 -5.568 13.066 1.00 33.95 O ATOM 954 ND2 ASN A 111 26.606 -4.912 10.951 1.00 28.64 N ATOM 955 HD22 ASN A 111 26.910 -4.351 10.130 1.00 0.00 H ATOM 956 HD21 ASN A 111 25.730 -5.471 10.903 1.00 0.00 H ATOM 957 H ASN A 111 27.185 -2.625 10.443 1.00 0.00 H ATOM 958 N THR A 112 28.623 -5.096 8.732 1.00 27.55 N ATOM 959 CA THR A 112 28.963 -6.160 7.795 1.00 27.65 C ATOM 960 C THR A 112 29.031 -5.661 6.347 1.00 27.29 C ATOM 961 O THR A 112 29.150 -6.468 5.424 1.00 27.90 O ATOM 962 CB THR A 112 28.015 -7.373 7.922 1.00 26.48 C ATOM 963 OG1 THR A 112 26.678 -6.954 7.632 1.00 24.20 O ATOM 964 CG2 THR A 112 28.038 -7.955 9.317 1.00 27.61 C ATOM 965 HG1 THR A 112 26.639 -6.595 6.710 1.00 0.00 H ATOM 966 H THR A 112 27.759 -4.533 8.595 1.00 0.00 H ATOM 967 N TYR A 113 28.965 -4.339 6.152 1.00 26.74 N ATOM 968 CA TYR A 113 29.152 -3.763 4.815 1.00 26.43 C ATOM 969 C TYR A 113 30.508 -4.224 4.259 1.00 28.56 C ATOM 970 O TYR A 113 31.523 -4.158 4.946 1.00 29.59 O ATOM 971 CB TYR A 113 29.026 -2.226 4.822 1.00 26.17 C ATOM 972 CG TYR A 113 29.212 -1.595 3.431 1.00 25.99 C ATOM 973 CD1 TYR A 113 30.472 -1.446 2.880 1.00 27.81 C ATOM 974 CD2 TYR A 113 28.121 -1.128 2.686 1.00 24.67 C ATOM 975 CE1 TYR A 113 30.656 -0.907 1.626 1.00 28.04 C ATOM 976 CE2 TYR A 113 28.303 -0.584 1.419 1.00 25.09 C ATOM 977 CZ TYR A 113 29.578 -0.483 0.891 1.00 26.70 C ATOM 978 OH TYR A 113 29.861 0.053 -0.359 1.00 27.77 O ATOM 979 HH TYR A 113 29.394 -0.473 -1.056 1.00 0.00 H ATOM 980 H TYR A 113 28.779 -3.711 6.959 1.00 0.00 H ATOM 981 N SER A 114 30.498 -4.701 3.018 1.00 28.69 N ATOM 982 CA SER A 114 31.698 -5.236 2.375 1.00 31.30 C ATOM 983 C SER A 114 31.918 -4.618 0.987 1.00 31.61 C ATOM 984 O SER A 114 31.052 -4.718 0.100 1.00 30.39 O ATOM 985 CB SER A 114 31.588 -6.757 2.277 1.00 32.62 C ATOM 986 OG SER A 114 31.469 -7.334 3.572 1.00 34.60 O ATOM 987 HG SER A 114 30.658 -6.981 4.016 1.00 0.00 H ATOM 988 H SER A 114 29.605 -4.693 2.485 1.00 0.00 H ATOM 989 N LYS A 115 33.062 -3.963 0.813 1.00 33.85 N ATOM 990 CA LYS A 115 33.406 -3.282 -0.441 1.00 34.36 C ATOM 991 C LYS A 115 33.472 -4.266 -1.612 1.00 34.48 C ATOM 992 O LYS A 115 33.346 -3.861 -2.764 1.00 34.61 O ATOM 993 CB LYS A 115 34.748 -2.541 -0.308 1.00 37.92 C ATOM 994 CG LYS A 115 34.692 -1.299 0.562 1.00 38.92 C ATOM 995 CD LYS A 115 36.045 -0.616 0.639 1.00 43.13 C ATOM 996 CE LYS A 115 35.937 0.694 1.401 1.00 43.75 C ATOM 997 NZ LYS A 115 37.274 1.294 1.668 1.00 46.34 N ATOM 998 HZ1 LYS A 115 37.842 0.633 2.235 1.00 0.00 H ATOM 999 HZ2 LYS A 115 37.755 1.481 0.765 1.00 0.00 H ATOM 1000 HZ3 LYS A 115 37.155 2.186 2.189 1.00 0.00 H ATOM 1001 H LYS A 115 33.742 -3.932 1.599 1.00 0.00 H ATOM 1002 N LYS A 116 33.685 -5.550 -1.309 1.00 34.68 N ATOM 1003 CA LYS A 116 33.758 -6.585 -2.339 1.00 35.67 C ATOM 1004 C LYS A 116 32.454 -6.736 -3.110 1.00 33.16 C ATOM 1005 O LYS A 116 32.444 -7.271 -4.220 1.00 33.93 O ATOM 1006 CB LYS A 116 34.136 -7.925 -1.742 1.00 37.18 C ATOM 1007 CG LYS A 116 33.193 -8.430 -0.686 1.00 36.42 C ATOM 1008 CD LYS A 116 33.457 -9.887 -0.377 1.00 37.67 C ATOM 1009 CE LYS A 116 32.804 -10.275 0.935 1.00 37.02 C ATOM 1010 NZ LYS A 116 33.265 -11.627 1.346 1.00 39.88 N ATOM 1011 HZ1 LYS A 116 33.005 -12.318 0.614 1.00 0.00 H ATOM 1012 HZ2 LYS A 116 34.298 -11.618 1.465 1.00 0.00 H ATOM 1013 HZ3 LYS A 116 32.814 -11.887 2.246 1.00 0.00 H ATOM 1014 H LYS A 116 33.802 -5.821 -0.312 1.00 0.00 H ATOM 1015 N TYR A 117 31.344 -6.284 -2.518 1.00 30.81 N ATOM 1016 CA TYR A 117 30.089 -6.363 -3.222 1.00 29.13 C ATOM 1017 C TYR A 117 29.780 -5.159 -4.091 1.00 28.82 C ATOM 1018 O TYR A 117 28.776 -5.156 -4.800 1.00 27.65 O ATOM 1019 CB TYR A 117 28.935 -6.643 -2.257 1.00 26.88 C ATOM 1020 CG TYR A 117 29.080 -7.982 -1.561 1.00 27.68 C ATOM 1021 CD1 TYR A 117 29.250 -9.158 -2.299 1.00 29.04 C ATOM 1022 CD2 TYR A 117 29.041 -8.078 -0.171 1.00 27.44 C ATOM 1023 CE1 TYR A 117 29.395 -10.389 -1.671 1.00 30.23 C ATOM 1024 CE2 TYR A 117 29.189 -9.308 0.466 1.00 28.56 C ATOM 1025 CZ TYR A 117 29.361 -10.452 -0.284 1.00 29.72 C ATOM 1026 OH TYR A 117 29.484 -11.686 0.331 1.00 31.38 O ATOM 1027 HH TYR A 117 29.599 -12.387 -0.358 1.00 0.00 H ATOM 1028 H TYR A 117 31.386 -5.880 -1.561 1.00 0.00 H ATOM 1029 N MET A 118 30.628 -4.131 -4.047 1.00 30.16 N ATOM 1030 CA MET A 118 30.449 -2.998 -4.947 1.00 30.37 C ATOM 1031 C MET A 118 30.709 -3.476 -6.366 1.00 31.60 C ATOM 1032 O MET A 118 31.664 -4.235 -6.596 1.00 33.10 O ATOM 1033 CB MET A 118 31.423 -1.867 -4.606 1.00 32.69 C ATOM 1034 CG MET A 118 31.145 -1.204 -3.270 1.00 32.11 C ATOM 1035 SD MET A 118 32.317 0.086 -2.820 1.00 36.41 S ATOM 1036 CE MET A 118 32.281 1.153 -4.267 1.00 36.55 C ATOM 1037 H MET A 118 31.418 -4.137 -3.370 1.00 0.00 H ATOM 1038 N LEU A 119 29.864 -3.014 -7.300 1.00 30.59 N ATOM 1039 CA LEU A 119 29.984 -3.333 -8.748 1.00 32.04 C ATOM 1040 C LEU A 119 29.831 -4.838 -8.996 1.00 31.94 C ATOM 1041 O LEU A 119 30.418 -5.408 -9.933 1.00 34.53 O ATOM 1042 CB LEU A 119 31.290 -2.779 -9.364 1.00 34.69 C ATOM 1043 CG LEU A 119 31.414 -1.245 -9.400 1.00 35.02 C ATOM 1044 CD1 LEU A 119 32.796 -0.809 -9.827 1.00 37.55 C ATOM 1045 CD2 LEU A 119 30.353 -0.630 -10.296 1.00 34.66 C ATOM 1046 H LEU A 119 29.082 -2.399 -6.995 1.00 0.00 H ATOM 1047 N TYR A 120 29.016 -5.467 -8.147 1.00 29.79 N ATOM 1048 CA TYR A 120 28.879 -6.919 -8.189 1.00 29.97 C ATOM 1049 C TYR A 120 28.311 -7.386 -9.520 1.00 30.60 C ATOM 1050 O TYR A 120 27.322 -6.817 -9.986 1.00 29.53 O ATOM 1051 CB TYR A 120 27.959 -7.376 -7.074 1.00 28.05 C ATOM 1052 CG TYR A 120 28.066 -8.845 -6.799 1.00 28.88 C ATOM 1053 CD1 TYR A 120 29.191 -9.369 -6.201 1.00 30.11 C ATOM 1054 CD2 TYR A 120 27.017 -9.692 -7.096 1.00 28.62 C ATOM 1055 CE1 TYR A 120 29.293 -10.717 -5.942 1.00 31.24 C ATOM 1056 CE2 TYR A 120 27.081 -11.034 -6.820 1.00 29.36 C ATOM 1057 CZ TYR A 120 28.230 -11.553 -6.252 1.00 30.82 C ATOM 1058 OH TYR A 120 28.314 -12.904 -5.977 1.00 32.16 O ATOM 1059 HH TYR A 120 29.197 -13.104 -5.576 1.00 0.00 H ATOM 1060 H TYR A 120 28.474 -4.918 -7.450 1.00 0.00 H ATOM 1061 N PRO A 121 28.908 -8.438 -10.115 1.00 32.43 N ATOM 1062 CA PRO A 121 28.515 -8.971 -11.424 1.00 33.94 C ATOM 1063 C PRO A 121 27.098 -9.518 -11.495 1.00 32.67 C ATOM 1064 O PRO A 121 26.674 -10.296 -10.618 1.00 31.50 O ATOM 1065 CB PRO A 121 29.527 -10.104 -11.666 1.00 36.07 C ATOM 1066 CG PRO A 121 30.709 -9.710 -10.867 1.00 36.46 C ATOM 1067 CD PRO A 121 30.136 -9.091 -9.623 1.00 33.80 C ATOM 1068 N ASP A 122 26.373 -9.101 -12.529 1.00 33.21 N ATOM 1069 CA ASP A 122 24.962 -9.462 -12.664 1.00 32.45 C ATOM 1070 C ASP A 122 24.827 -10.979 -12.672 1.00 33.55 C ATOM 1071 O ASP A 122 23.931 -11.549 -12.045 1.00 31.94 O ATOM 1072 CB ASP A 122 24.347 -8.916 -13.953 1.00 33.73 C ATOM 1073 CG ASP A 122 22.967 -9.533 -14.238 1.00 33.51 C ATOM 1074 OD1 ASP A 122 22.951 -10.703 -14.660 1.00 35.45 O ATOM 1075 OD2 ASP A 122 21.920 -8.868 -14.000 1.00 32.01 O ATOM 1076 H ASP A 122 26.818 -8.506 -13.256 1.00 0.00 H ATOM 1077 N PHE A 124 25.827 -11.767 -13.381 1.00 36.31 N ATOM 1078 CA PHE A 124 25.538 -13.178 -13.607 1.00 37.91 C ATOM 1079 C PHE A 124 25.651 -13.994 -12.317 1.00 37.04 C ATOM 1080 O PHE A 124 25.283 -15.171 -12.292 1.00 37.96 O ATOM 1081 CB PHE A 124 26.473 -13.745 -14.679 1.00 41.24 C ATOM 1082 CG PHE A 124 27.851 -14.066 -14.179 1.00 42.17 C ATOM 1083 CD1 PHE A 124 28.642 -13.088 -13.591 1.00 41.30 C ATOM 1084 CD2 PHE A 124 28.360 -15.344 -14.310 1.00 44.38 C ATOM 1085 CE1 PHE A 124 29.909 -13.379 -13.131 1.00 42.25 C ATOM 1086 CE2 PHE A 124 29.654 -15.648 -13.880 1.00 45.48 C ATOM 1087 CZ PHE A 124 30.419 -14.663 -13.271 1.00 44.53 C ATOM 1088 H PHE A 124 26.714 -11.339 -13.714 1.00 0.00 H ATOM 1089 N LEU A 125 26.193 -13.395 -11.260 1.00 35.82 N ATOM 1090 CA LEU A 125 26.305 -14.101 -9.986 1.00 35.55 C ATOM 1091 C LEU A 125 25.053 -13.935 -9.172 1.00 33.64 C ATOM 1092 O LEU A 125 25.013 -14.297 -8.003 1.00 33.33 O ATOM 1093 CB LEU A 125 27.470 -13.581 -9.171 1.00 35.09 C ATOM 1094 CG LEU A 125 28.870 -13.886 -9.670 1.00 37.51 C ATOM 1095 CD1 LEU A 125 29.807 -13.174 -8.720 1.00 37.08 C ATOM 1096 CD2 LEU A 125 29.092 -15.387 -9.692 1.00 39.09 C ATOM 1097 H LEU A 125 26.539 -12.418 -11.341 1.00 0.00 H ATOM 1098 N CYS A 126 24.036 -13.342 -9.776 1.00 32.94 N ATOM 1099 CA CYS A 126 22.776 -13.110 -9.090 1.00 31.93 C ATOM 1100 C CYS A 126 21.803 -14.078 -9.682 1.00 34.62 C ATOM 1101 O CYS A 126 21.131 -13.800 -10.677 1.00 35.16 O ATOM 1102 CB CYS A 126 22.331 -11.699 -9.308 1.00 29.63 C ATOM 1103 SG CYS A 126 23.443 -10.559 -8.483 1.00 27.01 S ATOM 1104 H CYS A 126 24.141 -13.035 -10.764 1.00 0.00 H ATOM 1105 N LYS A 127 21.822 -15.263 -9.098 1.00 37.87 N ATOM 1106 CA LYS A 127 20.826 -16.281 -9.328 1.00 41.20 C ATOM 1107 C LYS A 127 20.622 -16.997 -8.012 1.00 42.35 C ATOM 1108 O LYS A 127 21.463 -16.939 -7.104 1.00 42.70 O ATOM 1109 CB LYS A 127 21.151 -17.233 -10.489 1.00 43.95 C ATOM 1110 CG LYS A 127 22.584 -17.247 -11.007 1.00 45.60 C ATOM 1111 CD LYS A 127 23.305 -18.571 -10.778 1.00 48.69 C ATOM 1112 CE LYS A 127 24.400 -18.437 -9.731 1.00 48.38 C ATOM 1113 NZ LYS A 127 25.110 -19.717 -9.466 1.00 51.77 N ATOM 1114 HZ1 LYS A 127 24.430 -20.425 -9.124 1.00 0.00 H ATOM 1115 HZ2 LYS A 127 25.552 -20.055 -10.345 1.00 0.00 H ATOM 1116 HZ3 LYS A 127 25.843 -19.562 -8.745 1.00 0.00 H ATOM 1117 H LYS A 127 22.597 -15.473 -8.437 1.00 0.00 H ATOM 1118 N GLY A 128 19.443 -17.521 -7.883 1.00 44.13 N ATOM 1119 CA GLY A 128 18.902 -17.825 -6.614 1.00 44.04 C ATOM 1120 C GLY A 128 17.674 -17.015 -6.850 1.00 43.74 C ATOM 1121 O GLY A 128 17.636 -16.211 -7.759 1.00 43.19 O ATOM 1122 H GLY A 128 18.882 -17.722 -8.735 1.00 0.00 H ATOM 1123 N GLU A 129 16.674 -17.241 -6.055 1.00 44.64 N ATOM 1124 CA GLU A 129 15.429 -16.610 -6.249 1.00 44.91 C ATOM 1125 C GLU A 129 14.842 -16.157 -4.919 1.00 42.54 C ATOM 1126 O GLU A 129 15.063 -16.804 -3.889 1.00 43.54 O ATOM 1127 CB GLU A 129 14.529 -17.624 -6.910 1.00 48.34 C ATOM 1128 CG GLU A 129 13.043 -17.283 -6.849 1.00 48.07 C ATOM 1129 CD GLU A 129 12.201 -18.532 -6.806 1.00 50.61 C ATOM 1130 OE1 GLU A 129 11.659 -18.862 -5.735 1.00 50.77 O ATOM 1131 OE2 GLU A 129 12.078 -19.212 -7.844 1.00 54.26 O ATOM 1132 H GLU A 129 16.793 -17.900 -5.260 1.00 0.00 H ATOM 1133 N LEU A 130 14.113 -15.049 -4.942 1.00 40.33 N ATOM 1134 CA LEU A 130 13.444 -14.653 -3.741 1.00 37.22 C ATOM 1135 C LEU A 130 12.218 -13.778 -3.917 1.00 35.35 C ATOM 1136 O LEU A 130 12.290 -12.683 -4.457 1.00 34.47 O ATOM 1137 CB LEU A 130 14.455 -14.166 -2.729 1.00 36.09 C ATOM 1138 CG LEU A 130 14.174 -13.759 -1.271 1.00 35.16 C ATOM 1139 CD1 LEU A 130 14.044 -14.956 -0.388 1.00 36.73 C ATOM 1140 CD2 LEU A 130 15.146 -12.776 -0.631 1.00 33.05 C ATOM 1141 H LEU A 130 14.030 -14.483 -5.810 1.00 0.00 H ATOM 1142 N LYS A 131 11.117 -14.304 -3.427 1.00 34.33 N ATOM 1143 CA LYS A 131 9.784 -13.736 -3.470 1.00 33.36 C ATOM 1144 C LYS A 131 9.703 -12.706 -2.359 1.00 29.83 C ATOM 1145 O LYS A 131 10.388 -12.816 -1.413 1.00 28.31 O ATOM 1146 CB LYS A 131 8.817 -14.846 -3.117 1.00 35.97 C ATOM 1147 CG LYS A 131 7.689 -15.130 -4.033 1.00 38.19 C ATOM 1148 CD LYS A 131 6.538 -15.694 -3.216 1.00 39.74 C ATOM 1149 CE LYS A 131 6.897 -16.965 -2.484 1.00 41.20 C ATOM 1150 NZ LYS A 131 6.150 -18.116 -3.027 1.00 43.69 N ATOM 1151 HZ1 LYS A 131 5.129 -17.946 -2.922 1.00 0.00 H ATOM 1152 HZ2 LYS A 131 6.381 -18.234 -4.034 1.00 0.00 H ATOM 1153 HZ3 LYS A 131 6.415 -18.976 -2.507 1.00 0.00 H ATOM 1154 H LYS A 131 11.213 -15.227 -2.958 1.00 0.00 H ATOM 1155 N CYS A 133 9.085 -11.403 -2.720 1.00 23.57 N ATOM 1156 CA CYS A 133 9.033 -10.317 -1.759 1.00 22.56 C ATOM 1157 C CYS A 133 8.200 -10.762 -0.540 1.00 23.68 C ATOM 1158 O CYS A 133 8.435 -10.279 0.576 1.00 25.45 O ATOM 1159 CB CYS A 133 8.379 -9.140 -2.438 1.00 20.70 C ATOM 1160 SG CYS A 133 9.457 -8.250 -3.576 1.00 19.60 S ATOM 1161 OXT CYS A 133 7.351 -11.632 -0.654 1.00 26.25 O ATOM 1162 H CYS A 133 8.686 -11.268 -3.671 1.00 0.00 H TER 1163 CYS A 133 HETATM 1164 O HOH 1 15.099 -1.601 3.206 1.00 14.47 O HETATM 1165 O HOH 2 4.395 8.142 6.395 1.00 27.81 O HETATM 1166 O HOH 3 26.613 -13.424 4.048 1.00 36.10 O HETATM 1167 O HOH 4 35.233 -6.477 1.642 1.00 36.29 O HETATM 1168 O HOH 5 12.137 15.843 -9.152 1.00 27.70 O HETATM 1169 O HOH 6 12.699 -0.416 2.446 1.00 13.74 O HETATM 1170 O HOH 7 15.846 -2.576 -12.155 1.00 34.35 O HETATM 1171 O HOH 8 18.885 5.947 12.690 1.00 26.83 O HETATM 1172 O HOH 9 9.888 3.299 7.422 1.00 13.05 O HETATM 1173 O HOH 10 -2.364 11.655 -2.421 1.00 14.23 O HETATM 1174 O HOH 11 14.648 -6.117 -7.970 1.00 25.14 O HETATM 1175 O HOH 12 -2.608 5.580 -3.909 1.00 34.72 O HETATM 1176 O HOH 13 2.932 12.115 -5.646 1.00 11.56 O HETATM 1177 O HOH 14 16.548 -2.499 -8.160 1.00 24.34 O HETATM 1178 O HOH 15 25.429 -9.778 6.379 1.00 28.84 O HETATM 1179 O HOH 16 24.485 -7.125 -9.699 1.00 22.35 O HETATM 1180 O HOH 17 -0.388 9.514 -4.277 1.00 13.50 O HETATM 1181 O HOH 18 -4.824 8.218 -1.538 1.00 22.33 O HETATM 1182 O HOH 19 10.604 19.371 6.140 1.00 29.83 O HETATM 1183 O HOH 20 24.686 10.227 -0.941 1.00 21.20 O HETATM 1184 O HOH 21 11.557 -2.210 -7.288 1.00 22.75 O HETATM 1185 O HOH 22 9.284 0.685 4.979 1.00 12.86 O HETATM 1186 O HOH 23 4.598 16.619 10.829 1.00 34.18 O HETATM 1187 O HOH 24 21.070 -12.585 -13.685 1.00 34.39 O HETATM 1188 O HOH 25 21.602 -4.138 15.124 1.00 35.67 O HETATM 1189 O HOH 26 5.010 9.042 -7.015 1.00 11.97 O HETATM 1190 O HOH 27 8.190 8.340 9.613 1.00 18.18 O HETATM 1191 O HOH 28 18.729 -6.654 6.111 1.00 16.97 O HETATM 1192 O HOH 29 15.417 -15.681 -9.570 1.00 36.78 O HETATM 1193 O HOH 30 10.831 -1.439 4.191 1.00 14.10 O HETATM 1194 O HOH 31 31.144 6.420 0.285 1.00 26.21 O HETATM 1195 O HOH 32 16.931 -0.726 -3.237 1.00 17.15 O HETATM 1196 O HOH 33 6.788 8.570 11.857 1.00 33.14 O HETATM 1197 O HOH 34 -4.649 16.936 5.865 1.00 63.14 O HETATM 1198 O HOH 35 26.001 -6.142 4.961 1.00 17.82 O HETATM 1199 O HOH 36 0.916 2.353 -6.391 1.00 22.82 O HETATM 1200 O HOH 37 -2.377 13.911 1.652 1.00 31.45 O HETATM 1201 O HOH 38 7.378 15.997 -6.145 1.00 26.56 O HETATM 1202 O HOH 39 7.221 2.521 -7.129 1.00 21.28 O HETATM 1203 O HOH 40 29.624 -14.794 -1.684 1.00 34.18 O HETATM 1204 O HOH 41 10.595 5.750 -10.104 1.00 21.05 O HETATM 1205 O HOH 42 29.154 -8.719 3.927 1.00 21.38 O HETATM 1206 O HOH 43 27.839 -10.482 6.152 1.00 31.38 O HETATM 1207 O HOH 44 15.329 16.919 5.218 1.00 34.32 O HETATM 1208 O HOH 45 14.462 16.975 18.415 1.00 46.32 O HETATM 1209 O HOH 46 5.820 14.065 1.887 1.00 28.19 O HETATM 1210 O HOH 47 12.663 8.443 -3.321 1.00 16.05 O HETATM 1211 O HOH 48 10.872 22.587 2.500 1.00 42.09 O HETATM 1212 O HOH 49 24.096 13.171 -1.244 1.00 37.25 O HETATM 1213 O HOH 50 5.667 2.596 2.371 1.00 14.80 O HETATM 1214 O HOH 51 9.044 18.746 -5.244 1.00 28.40 O HETATM 1215 O HOH 52 25.280 -0.842 5.089 1.00 18.43 O HETATM 1216 O HOH 53 31.888 1.850 0.355 1.00 33.12 O HETATM 1217 O HOH 54 31.218 11.085 5.719 1.00 30.46 O HETATM 1218 O HOH 55 16.783 -5.404 12.355 1.00 28.03 O HETATM 1219 O HOH 56 3.209 6.323 4.685 1.00 30.36 O HETATM 1220 O HOH 57 -3.182 1.441 -2.187 1.00 48.26 O HETATM 1221 O HOH 58 25.263 9.743 -3.731 1.00 26.26 O HETATM 1222 O HOH 59 -0.739 4.899 -5.666 1.00 19.17 O HETATM 1223 O HOH 60 18.265 2.527 -11.184 1.00 37.21 O HETATM 1224 O HOH 61 5.741 -17.464 -6.327 1.00 41.46 O HETATM 1225 O HOH 62 6.486 -5.889 -3.674 1.00 32.34 O HETATM 1226 O HOH 63 31.925 -8.375 6.839 1.00 30.38 O HETATM 1227 O HOH 64 26.338 -14.732 0.234 1.00 27.65 O HETATM 1228 O HOH 65 14.072 -6.406 -11.366 1.00 35.01 O HETATM 1229 O HOH 66 3.823 3.541 4.431 1.00 24.34 O HETATM 1230 O HOH 67 22.019 12.400 -3.549 1.00 34.63 O HETATM 1231 O HOH 68 12.095 20.420 -2.403 1.00 45.95 O HETATM 1232 O HOH 69 27.597 11.293 -4.623 1.00 42.62 O HETATM 1233 O HOH 70 15.163 -0.144 -6.898 1.00 30.11 O HETATM 1234 O HOH 71 12.602 17.132 3.413 1.00 32.12 O HETATM 1235 O HOH 72 1.465 -0.318 -13.141 1.00 35.73 O HETATM 1236 O HOH 73 -0.687 7.824 3.056 1.00 30.70 O HETATM 1237 O HOH 74 26.877 -17.755 -12.184 1.00 46.15 O HETATM 1238 O HOH 75 7.955 -6.324 -6.359 1.00 40.86 O HETATM 1239 O HOH 76 8.235 6.698 16.370 1.00 40.85 O HETATM 1240 O HOH 77 18.116 -16.122 -10.681 1.00 36.39 O HETATM 1241 O HOH 78 26.064 -1.996 12.460 1.00 53.81 O HETATM 1242 O HOH 79 18.103 -3.839 17.288 1.00 35.17 O HETATM 1243 O HOH 80 7.082 2.397 -10.368 1.00 35.59 O HETATM 1244 O HOH 81 21.703 -7.986 10.430 1.00 34.17 O HETATM 1245 O HOH 82 23.974 -14.866 -1.995 1.00 41.71 O HETATM 1246 O HOH 83 17.151 17.660 -0.909 1.00 47.81 O HETATM 1247 O HOH 84 10.502 -7.596 -6.681 1.00 44.19 O HETATM 1248 O HOH 85 18.457 -5.585 8.614 1.00 19.96 O HETATM 1249 O HOH 86 39.485 -1.067 0.708 1.00 38.73 O HETATM 1250 O HOH 87 32.544 7.154 4.601 1.00 36.54 O HETATM 1251 O HOH 88 13.893 10.925 23.612 1.00 40.37 O HETATM 1252 O HOH 89 10.358 -10.596 -6.148 1.00 41.41 O HETATM 1253 O HOH 90 20.339 -13.360 1.388 1.00 34.21 O HETATM 1254 O HOH 91 28.104 1.498 14.319 1.00 24.95 O HETATM 1255 O HOH 92 4.623 10.072 10.114 1.00 34.46 O HETATM 1256 O HOH 93 14.490 18.104 11.232 1.00 33.95 O HETATM 1257 O HOH 94 9.209 19.067 14.742 1.00 29.69 O HETATM 1258 O HOH 95 -2.121 12.490 4.022 1.00 41.70 O HETATM 1259 O HOH 96 17.742 15.293 8.231 1.00 29.88 O HETATM 1260 O HOH 97 5.988 5.692 11.652 1.00 35.06 O HETATM 1261 O HOH 98 8.556 -5.553 -9.047 1.00 39.26 O HETATM 1262 O HOH 99 24.178 -11.748 -16.923 1.00 21.47 O HETATM 1263 O HOH 100 -1.676 1.214 0.880 1.00 28.96 O HETATM 1264 O HOH 101 7.309 17.410 -1.688 1.00 31.59 O HETATM 1265 O HOH 102 18.851 18.980 3.289 1.00 46.90 O HETATM 1266 O HOH 103 22.791 -4.661 -7.931 1.00 38.14 O HETATM 1267 O HOH 104 17.859 -6.429 -13.554 1.00 36.55 O HETATM 1268 O HOH 105 11.288 -16.429 -1.674 1.00 32.29 O HETATM 1269 O HOH 106 6.800 11.843 3.285 1.00 24.59 O HETATM 1270 O HOH 107 31.812 -3.209 8.050 1.00 34.13 O HETATM 1271 O HOH 108 14.036 19.908 1.897 1.00 42.30 O HETATM 1272 O HOH 109 16.175 12.751 -7.608 1.00 30.01 O HETATM 1273 O HOH 110 10.619 22.226 5.141 1.00 49.74 O HETATM 1274 O HOH 111 5.333 0.020 -0.254 1.00 24.92 O HETATM 1275 O HOH 112 14.072 -8.316 -13.577 1.00 47.24 O HETATM 1276 O HOH 113 35.255 -9.218 2.873 1.00 38.39 O HETATM 1277 O HOH 114 24.633 -9.548 9.563 1.00 36.39 O HETATM 1278 O HOH 115 18.102 16.137 16.455 1.00 47.94 O HETATM 1279 O HOH 116 6.743 0.628 3.958 1.00 14.89 O HETATM 1280 O HOH 117 8.810 -2.977 2.963 1.00 13.30 O HETATM 1281 O HOH 118 7.224 -0.241 -9.467 1.00 38.11 O HETATM 1282 O HOH 119 24.139 -14.349 -17.419 1.00 39.52 O HETATM 1283 O HOH 120 31.876 9.219 7.890 1.00 36.89 O HETATM 1284 O HOH 121 3.669 5.062 10.877 1.00 35.07 O HETATM 1285 O HOH 122 8.191 8.629 18.914 1.00 34.96 O HETATM 1286 O HOH 123 18.716 15.668 14.049 1.00 33.65 O HETATM 1287 O HOH 124 19.718 21.331 2.891 1.00 49.61 O HETATM 1288 O HOH 125 22.460 -15.259 -14.914 1.00 34.02 O HETATM 1289 O HOH 126 16.509 20.903 4.904 1.00 40.58 O HETATM 1290 O HOH 127 10.630 9.567 20.720 1.00 48.28 O HETATM 1291 O HOH 128 21.110 -18.647 -15.028 1.00 37.18 O HETATM 1292 O HOH 129 22.316 -20.976 -17.856 1.00 37.54 O HETATM 1293 O HOH 130 8.711 8.274 22.851 1.00 42.09 O HETATM 1294 O HOH 131 20.739 -18.835 -18.255 1.00 37.82 O HETATM 1295 O HOH 132 16.337 21.608 -8.051 1.00 42.99 O HETATM 1296 O HOH 133 3.031 14.786 -6.428 1.00 14.46 O HETATM 1297 O HOH 134 15.655 15.297 -7.183 1.00 32.73 O HETATM 1298 O HOH 135 30.555 -13.744 -4.847 1.00 33.81 O HETATM 1299 O HOH 136 23.788 -5.550 13.012 1.00 28.71 O HETATM 1300 O HOH 137 24.216 -13.376 4.783 1.00 35.53 O HETATM 1301 O HOH 138 17.215 -3.266 9.555 1.00 17.98 O HETATM 1302 O HOH 139 4.279 10.935 5.697 1.00 30.98 O HETATM 1303 O HOH 140 5.315 -12.031 -2.246 1.00 30.30 O HETATM 1304 O HOH 141 23.895 -11.810 7.705 1.00 40.19 O HETATM 1305 O HOH 142 18.762 -16.622 -13.849 1.00 41.16 O HETATM 1306 O HOH 143 4.173 -9.364 -2.314 1.00 37.74 O HETATM 1307 O HOH 144 38.122 2.815 -0.571 1.00 29.76 O HETATM 1308 O HOH 145 1.420 11.235 6.928 1.00 37.55 O HETATM 1309 O HOH 146 -0.139 5.814 -3.011 1.00 37.74 O HETATM 1310 O HOH 147 13.202 19.010 7.984 1.00 43.00 O HETATM 1311 O HOH 148 28.233 -0.326 12.625 1.00 43.54 O HETATM 1312 O HOH 149 15.682 22.223 -5.495 1.00 46.75 O HETATM 1313 O HOH 150 1.155 -9.407 -2.281 1.00 42.95 O HETATM 1314 O HOH 151 8.575 4.834 -11.665 1.00 30.07 O HETATM 1315 O HOH 152 35.809 1.055 -2.280 1.00 33.30 O HETATM 1316 O HOH 153 13.428 19.505 13.863 1.00 36.84 O HETATM 1317 O HOH 154 32.241 -14.250 1.972 1.00 45.98 O HETATM 1318 O HOH 155 38.375 2.087 4.121 1.00 37.43 O HETATM 1319 O HOH 156 36.323 3.872 5.122 1.00 30.47 O HETATM 1320 O HOH 157 34.506 3.434 -3.701 1.00 27.05 O HETATM 1321 O HOH 158 15.149 22.034 8.623 1.00 39.77 O HETATM 1322 O HOH 159 40.542 1.176 2.370 1.00 36.30 O HETATM 1323 O HOH 160 18.310 22.078 9.535 1.00 56.13 O HETATM 1324 O HOH 161 14.904 23.362 11.038 1.00 44.55 O HETATM 1325 O HOH 162 15.236 16.460 2.384 1.00 36.64 O HETATM 1326 O HOH 163 14.602 6.544 -5.270 1.00 21.72 O HETATM 1327 O HOH 164 4.137 -5.837 -4.726 1.00 41.60 O HETATM 1328 O HOH 165 17.913 8.556 16.351 1.00 37.30 O HETATM 1329 O HOH 166 36.989 -6.366 -1.213 1.00 37.98 O HETATM 1330 O HOH 167 1.087 -6.243 -4.286 1.00 40.40 O HETATM 1331 O HOH 168 28.910 -12.255 3.534 1.00 38.92 O HETATM 1332 O HOH 169 16.897 6.754 14.423 1.00 42.21 O HETATM 1333 O HOH 170 27.722 0.117 -4.900 1.00 23.63 O HETATM 1334 O HOH 171 3.559 -15.832 -6.656 1.00 46.29 O HETATM 1335 O HOH 172 7.673 -10.912 -5.383 1.00 42.24 O HETATM 1336 O HOH 173 40.005 4.342 2.526 1.00 34.91 O HETATM 1337 O HOH 174 34.105 3.889 1.695 1.00 42.02 O HETATM 1338 O HOH 175 26.420 -16.142 -6.261 1.00 29.65 O HETATM 1339 O HOH 176 20.879 -18.985 -3.992 1.00 39.94 O HETATM 1340 O HOH 177 10.505 -17.983 0.954 1.00 38.52 O HETATM 1341 O HOH 178 14.772 7.147 12.332 1.00 28.75 O HETATM 1342 O HOH 179 23.234 -14.384 -5.475 1.00 28.63 O HETATM 1343 O HOH 180 12.461 5.730 13.554 1.00 41.22 O HETATM 1344 O HOH 181 15.777 -5.506 -15.199 1.00 39.48 O HETATM 1345 O HOH 182 11.528 3.510 12.443 1.00 25.71 O HETATM 1346 O HOH 183 7.734 -8.745 -7.300 1.00 45.52 O HETATM 1347 O HOH 184 17.198 13.769 1.825 1.00 26.25 O HETATM 1348 O HOH 185 17.129 20.257 7.797 1.00 34.52 O HETATM 1349 O HOH 186 9.690 2.216 -9.065 1.00 34.47 O HETATM 1350 O HOH 187 3.686 -16.206 -3.272 1.00 51.60 O HETATM 1351 O HOH 188 21.706 14.492 -1.797 1.00 41.38 O HETATM 1352 O HOH 189 15.820 17.002 -3.058 1.00 44.86 O HETATM 1353 O HOH 190 2.376 -14.226 -4.738 1.00 39.11 O HETATM 1354 O HOH 191 18.502 10.538 19.895 1.00 48.52 O HETATM 1355 O HOH 192 5.176 14.104 10.505 1.00 41.24 O HETATM 1356 O HOH 193 9.585 18.863 -2.736 1.00 38.05 O HETATM 1357 O HOH 194 14.220 -11.866 -6.820 1.00 35.22 O HETATM 1358 O HOH 195 4.931 -3.525 -9.029 1.00 33.44 O HETATM 1359 O HOH 196 30.845 6.195 7.090 1.00 37.70 O HETATM 1360 O HOH 197 20.375 17.282 7.840 1.00 40.96 O HETATM 1361 O HOH 198 11.339 10.871 17.546 1.00 44.30 O HETATM 1362 O HOH 199 13.881 17.583 -10.324 1.00 40.54 O HETATM 1363 O HOH 200 12.173 8.175 18.529 1.00 39.12 O HETATM 1364 O HOH 201 12.241 5.972 16.743 1.00 43.59 O HETATM 1365 O HOH 202 15.024 7.584 18.175 1.00 37.39 O HETATM 1366 O HOH 203 10.269 6.762 14.659 1.00 43.57 O HETATM 1367 O HOH 204 9.882 -18.968 -2.056 1.00 42.86 O HETATM 1368 C1 C A 0 21.886 9.797 -7.078 1.00 -0.06 C HETATM 1369 C2 C A 0 21.716 10.868 -8.135 1.00 0.02 C HETATM 1370 C3 C A 0 22.134 10.353 -9.464 1.00 0.18 C HETATM 1371 C4 C A 0 21.818 8.950 -9.799 1.00 0.05 C HETATM 1372 C5 C A 0 21.554 8.076 -8.806 1.00 -0.04 C HETATM 1373 C6 C A 0 21.584 6.614 -9.184 1.00 -0.02 C HETATM 1374 C7 C A 0 21.781 5.671 -8.055 1.00 -0.04 C HETATM 1375 C8 C A 0 21.245 6.156 -6.719 1.00 -0.03 C HETATM 1376 C9 C A 0 21.618 7.538 -6.292 1.00 0.01 C HETATM 1377 C10 C A 0 21.209 8.538 -7.397 1.00 -0.02 C HETATM 1378 C19 C A 0 20.000 8.883 -8.088 1.00 -0.09 C HETATM 1379 H C A 0 20.209 9.682 -8.815 1.00 0.01 H HETATM 1380 H C A 0 19.251 9.234 -7.363 1.00 0.01 H HETATM 1381 H C A 0 19.614 7.998 -8.616 1.00 0.01 H HETATM 1382 C11 C A 0 21.187 7.914 -4.815 1.00 0.10 C HETATM 1383 C12 C A 0 20.517 6.780 -3.984 1.00 0.03 C HETATM 1384 C13 C A 0 20.490 5.353 -4.554 1.00 0.01 C HETATM 1385 C14 C A 0 21.577 5.236 -5.595 1.00 -0.03 C HETATM 1386 C15 C A 0 21.819 3.822 -5.887 1.00 -0.05 C HETATM 1387 C16 C A 0 22.020 3.522 -4.465 1.00 -0.03 C HETATM 1388 C17 C A 0 20.849 4.098 -3.736 1.00 0.04 C HETATM 1389 C20 C A 0 20.090 2.787 -3.735 1.00 0.13 C HETATM 1390 C21 C A 0 18.946 2.376 -4.579 1.00 0.12 C HETATM 1391 O4 C A 0 18.938 0.960 -4.546 1.00 -0.38 O HETATM 1392 H C A 0 18.831 0.666 -3.649 1.00 0.21 H HETATM 1393 H C A 0 19.081 2.735 -5.610 1.00 0.08 H HETATM 1394 H C A 0 18.005 2.775 -4.172 1.00 0.08 H HETATM 1395 O3 C A 0 20.430 1.920 -3.002 1.00 -0.39 O HETATM 1396 H C A 0 21.055 4.412 -2.702 1.00 0.05 H HETATM 1397 H C A 0 22.953 3.983 -4.108 1.00 0.03 H HETATM 1398 H C A 0 22.066 2.434 -4.310 1.00 0.03 H HETATM 1399 H C A 0 22.710 3.644 -6.508 1.00 0.03 H HETATM 1400 H C A 0 20.954 3.307 -6.330 1.00 0.03 H HETATM 1401 H C A 0 22.511 5.616 -5.155 1.00 0.03 H HETATM 1402 C18 C A 0 19.119 5.278 -5.142 1.00 -0.05 C HETATM 1403 H C A 0 18.915 6.195 -5.713 1.00 0.02 H HETATM 1404 H C A 0 18.379 5.176 -4.335 1.00 0.02 H HETATM 1405 H C A 0 19.054 4.407 -5.811 1.00 0.02 H HETATM 1406 H C A 0 19.472 7.079 -3.815 1.00 0.05 H HETATM 1407 H C A 0 21.045 6.732 -3.020 1.00 0.05 H HETATM 1408 O2 C A 0 20.822 9.147 -4.711 1.00 -0.39 O HETATM 1409 H C A 0 22.718 7.558 -6.270 1.00 0.04 H HETATM 1410 H C A 0 20.151 6.153 -6.828 1.00 0.03 H HETATM 1411 H C A 0 22.860 5.489 -7.945 1.00 0.03 H HETATM 1412 H C A 0 21.274 4.727 -8.305 1.00 0.03 H HETATM 1413 H C A 0 22.407 6.465 -9.899 1.00 0.04 H HETATM 1414 H C A 0 20.628 6.369 -9.669 1.00 0.04 H HETATM 1415 H C A 0 21.798 8.624 -10.838 1.00 0.13 H HETATM 1416 O1 C A 0 22.628 11.119 -10.230 1.00 -0.34 O HETATM 1417 H C A 0 22.335 11.738 -7.872 1.00 0.05 H HETATM 1418 H C A 0 20.659 11.170 -8.179 1.00 0.05 H HETATM 1419 H C A 0 21.480 10.178 -6.130 1.00 0.02 H HETATM 1420 H C A 0 22.960 9.593 -6.961 1.00 0.02 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 236 235 1103 CONECT 257 256 399 CONECT 392 391 884 CONECT 399 257 398 CONECT 446 445 1160 CONECT 453 452 828 CONECT 515 514 757 CONECT 705 704 811 CONECT 757 515 756 CONECT 811 705 810 CONECT 828 453 827 CONECT 884 392 883 CONECT 1103 236 1102 CONECT 1160 446 1159 CONECT 1368 1369 1377 1419 1420 CONECT 1369 1368 1370 1417 1418 CONECT 1370 1369 1371 1416 CONECT 1371 1370 1372 1415 CONECT 1372 1371 1373 1377 CONECT 1373 1372 1374 1413 1414 CONECT 1374 1373 1375 1411 1412 CONECT 1375 1374 1376 1385 1410 CONECT 1376 1375 1377 1382 1409 CONECT 1377 1368 1372 1376 1378 CONECT 1378 1377 1379 1380 1381 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1378 CONECT 1382 1376 1383 1408 CONECT 1383 1382 1384 1406 1407 CONECT 1384 1383 1385 1388 1402 CONECT 1385 1375 1384 1386 1401 CONECT 1386 1385 1387 1399 1400 CONECT 1387 1386 1388 1397 1398 CONECT 1388 1384 1387 1389 1396 CONECT 1389 1388 1390 1395 CONECT 1390 1389 1391 1393 1394 CONECT 1391 1390 1392 CONECT 1392 1391 CONECT 1393 1390 CONECT 1394 1390 CONECT 1395 1389 CONECT 1396 1388 CONECT 1397 1387 CONECT 1398 1387 CONECT 1399 1386 CONECT 1400 1386 CONECT 1401 1385 CONECT 1402 1384 1403 1404 1405 CONECT 1403 1402 CONECT 1404 1402 CONECT 1405 1402 CONECT 1406 1383 CONECT 1407 1383 CONECT 1408 1382 CONECT 1409 1376 CONECT 1410 1375 CONECT 1411 1374 CONECT 1412 1374 CONECT 1413 1373 CONECT 1414 1373 CONECT 1415 1371 CONECT 1416 1370 CONECT 1417 1369 CONECT 1418 1369 CONECT 1419 1368 CONECT 1420 1368 MASTER 0 0 0 0 0 0 0 0 1419 1 71 10 END
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Related entries of code: 4qf7
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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PDBbind
121aa, >1SV3_1|Chain... at 100%
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PDBbind
121aa, >2ARM_1|Chain... at 100%
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RCSB PDB
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121aa, >2B17_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >3H1X_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6hgi
RCSB PDB
PDBbind
C0R
Entry Information
PDB ID
4qf7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Phospholipase A2 VRV-PL-VIIIa
Ligand Name
C0R
EC.Number
E.C.3.1.1.4
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
Kd=2.5nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochim.Biophys.Acta Vol. 1854: pp. 269-277
Ligand Properties
Formula
C
2
1
H
2
8
O
4
Molecular Weight
344.445
Exact Mass
344.199
No. of atoms
53
No. of bonds
56
Polar Surface Area
71.44
LOGP Value
1.72 (
Computed with XLOGP3
)
2.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
InChI String
InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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