Browse entries in the PDBbind-CN Database
HEADER 6BID_COMPLEX COMPND 6BID_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 HIS ALA PRO PRO THR LEU TRP SER ARG VAL THR LYS PHE SEQRES 2 A 130 GLY SER GLY TRP GLY PHE TRP VAL SER PRO THR VAL PHE SEQRES 3 A 130 ILE THR THR THR HIS VAL VAL PRO THR GLY VAL LYS GLU SEQRES 4 A 130 PHE PHE GLY GLU PRO LEU SER SER ILE ALA ILE HIS GLN SEQRES 5 A 130 ALA GLY GLU PHE THR GLN PHE ARG PHE SER LYS LYS MET SEQRES 6 A 130 ARG PRO ASP LEU THR GLY MET VAL LEU GLU GLU GLY CYS SEQRES 7 A 130 PRO GLU GLY THR VAL CYS SER VAL LEU ILE LYS ARG ASP SEQRES 8 A 130 SER GLY GLU LEU LEU PRO LEU ALA VAL ARG MET GLY ALA SEQRES 9 A 130 ILE ALA SER MET ARG ILE GLN GLY ARG LEU VAL HIS GLY SEQRES 10 A 130 GLN SER GLY MET LEU LEU THR GLY ALA ASN ALA LYS GLY SEQRES 1 A 43 ASP LEU GLY THR ILE PRO GLY ASP CYS GLY ALA PRO TYR SEQRES 2 A 43 VAL HIS LYS ARG GLY ASN ASP TRP VAL VAL CYS GLY VAL SEQRES 3 A 43 HIS ALA ALA ALA THR LYS SER GLY ASN THR VAL VAL CYS SEQRES 4 A 43 ALA VAL GLN ALA HET DW A 4 83 ATOM 1 N HIS A 0 87.202 -22.342 128.448 1.00 28.97 N ATOM 2 CA HIS A 0 87.206 -23.563 127.590 1.00 26.84 C ATOM 3 C HIS A 0 88.611 -23.975 127.205 1.00 24.44 C ATOM 4 O HIS A 0 89.432 -23.138 126.839 1.00 23.83 O ATOM 5 CB HIS A 0 86.393 -23.323 126.322 1.00 27.86 C ATOM 6 CG HIS A 0 84.929 -23.199 126.575 1.00 28.60 C ATOM 7 ND1 HIS A 0 84.146 -24.269 126.946 1.00 28.68 N ATOM 8 CD2 HIS A 0 84.107 -22.125 126.537 1.00 29.28 C ATOM 9 CE1 HIS A 0 82.899 -23.863 127.109 1.00 28.90 C ATOM 10 NE2 HIS A 0 82.851 -22.565 126.872 1.00 29.43 N ATOM 11 HN3 HIS A 0 87.644 -21.555 127.931 1.00 0.00 H ATOM 12 HN2 HIS A 0 87.738 -22.530 129.319 1.00 0.00 H ATOM 13 HN1 HIS A 0 86.222 -22.093 128.690 1.00 0.00 H ATOM 14 N ALA A 1 88.889 -25.267 127.308 1.00 23.50 N ATOM 15 CA ALA A 1 90.164 -25.784 126.838 1.00 22.69 C ATOM 16 C ALA A 1 90.340 -25.399 125.372 1.00 22.55 C ATOM 17 O ALA A 1 89.455 -25.683 124.556 1.00 23.58 O ATOM 18 CB ALA A 1 90.183 -27.304 126.972 1.00 22.64 C ATOM 19 H ALA A 1 88.191 -25.914 127.727 1.00 0.00 H ATOM 20 N PRO A 2 91.448 -24.768 124.993 1.00 22.29 N ATOM 21 CA PRO A 2 91.590 -24.303 123.603 1.00 21.96 C ATOM 22 C PRO A 2 91.959 -25.434 122.659 1.00 20.72 C ATOM 23 O PRO A 2 92.380 -26.518 123.092 1.00 20.10 O ATOM 24 CB PRO A 2 92.729 -23.277 123.689 1.00 22.95 C ATOM 25 CG PRO A 2 93.520 -23.697 124.853 1.00 23.22 C ATOM 26 CD PRO A 2 92.536 -24.267 125.851 1.00 23.16 C ATOM 27 N PRO A 3 91.856 -25.198 121.345 1.00 21.68 N ATOM 28 CA PRO A 3 92.179 -26.257 120.373 1.00 21.05 C ATOM 29 C PRO A 3 93.552 -26.875 120.553 1.00 19.35 C ATOM 30 O PRO A 3 93.675 -28.097 120.422 1.00 18.76 O ATOM 31 CB PRO A 3 92.029 -25.548 119.013 1.00 22.51 C ATOM 32 CG PRO A 3 91.047 -24.472 119.282 1.00 23.09 C ATOM 33 CD PRO A 3 91.312 -23.999 120.682 1.00 22.95 C ATOM 34 N THR A 4 94.588 -26.082 120.847 1.00 20.32 N ATOM 35 CA THR A 4 95.917 -26.656 120.996 1.00 20.58 C ATOM 36 C THR A 4 95.967 -27.618 122.165 1.00 18.33 C ATOM 37 O THR A 4 96.659 -28.640 122.100 1.00 18.66 O ATOM 38 CB THR A 4 96.965 -25.551 121.156 1.00 22.82 C ATOM 39 OG1 THR A 4 96.651 -24.741 122.297 1.00 26.41 O ATOM 40 CG2 THR A 4 97.018 -24.681 119.904 1.00 23.04 C ATOM 41 HG1 THR A 4 96.645 -25.306 123.110 1.00 0.00 H ATOM 42 H THR A 4 94.444 -25.059 120.969 1.00 0.00 H ATOM 43 N LEU A 5 95.219 -27.331 123.229 1.00 16.90 N ATOM 44 CA LEU A 5 95.193 -28.242 124.357 1.00 15.38 C ATOM 45 C LEU A 5 94.550 -29.572 123.965 1.00 14.60 C ATOM 46 O LEU A 5 95.098 -30.642 124.244 1.00 13.70 O ATOM 47 CB LEU A 5 94.476 -27.577 125.533 1.00 17.29 C ATOM 48 CG LEU A 5 94.580 -28.289 126.869 1.00 18.52 C ATOM 49 CD1 LEU A 5 96.001 -28.386 127.329 1.00 20.74 C ATOM 50 CD2 LEU A 5 93.788 -27.561 127.921 1.00 18.75 C ATOM 51 H LEU A 5 94.656 -26.457 123.251 1.00 0.00 H ATOM 52 N TRP A 6 93.429 -29.525 123.244 1.00 14.65 N ATOM 53 CA TRP A 6 92.814 -30.758 122.760 1.00 14.21 C ATOM 54 C TRP A 6 93.713 -31.520 121.788 1.00 13.97 C ATOM 55 O TRP A 6 93.643 -32.751 121.713 1.00 14.58 O ATOM 56 CB TRP A 6 91.489 -30.463 122.077 1.00 15.10 C ATOM 57 CG TRP A 6 90.356 -30.190 122.990 1.00 15.30 C ATOM 58 CD1 TRP A 6 89.817 -28.973 123.294 1.00 16.81 C ATOM 59 CD2 TRP A 6 89.580 -31.162 123.701 1.00 15.01 C ATOM 60 NE1 TRP A 6 88.751 -29.128 124.144 1.00 16.71 N ATOM 61 CE2 TRP A 6 88.580 -30.460 124.406 1.00 15.99 C ATOM 62 CE3 TRP A 6 89.616 -32.553 123.791 1.00 14.76 C ATOM 63 CZ2 TRP A 6 87.626 -31.106 125.186 1.00 16.19 C ATOM 64 CZ3 TRP A 6 88.671 -33.189 124.576 1.00 14.92 C ATOM 65 CH2 TRP A 6 87.688 -32.469 125.247 1.00 15.81 C ATOM 66 HE1 TRP A 6 88.167 -28.357 124.527 1.00 0.00 H ATOM 67 H TRP A 6 92.991 -28.607 123.026 1.00 0.00 H ATOM 68 N SER A 7 94.542 -30.815 121.016 1.00 14.08 N ATOM 69 CA SER A 7 95.404 -31.483 120.041 1.00 14.33 C ATOM 70 C SER A 7 96.430 -32.397 120.691 1.00 13.29 C ATOM 71 O SER A 7 97.068 -33.205 120.006 1.00 14.30 O ATOM 72 CB SER A 7 96.137 -30.449 119.182 1.00 15.22 C ATOM 73 OG SER A 7 97.286 -29.922 119.830 1.00 16.68 O ATOM 74 HG SER A 7 97.015 -29.481 120.674 1.00 0.00 H ATOM 75 H SER A 7 94.576 -29.780 121.108 1.00 0.00 H ATOM 76 N ARG A 8 96.618 -32.271 121.993 1.00 13.33 N ATOM 77 CA ARG A 8 97.515 -33.135 122.745 1.00 12.17 C ATOM 78 C ARG A 8 96.901 -34.488 123.089 1.00 11.26 C ATOM 79 O ARG A 8 97.641 -35.429 123.398 1.00 10.76 O ATOM 80 CB ARG A 8 97.890 -32.429 124.041 1.00 11.96 C ATOM 81 CG ARG A 8 98.629 -31.113 123.837 1.00 12.80 C ATOM 82 CD ARG A 8 98.682 -30.298 125.119 1.00 13.51 C ATOM 83 NE ARG A 8 99.345 -29.005 124.951 1.00 14.40 N ATOM 84 CZ ARG A 8 100.626 -28.762 125.214 1.00 15.89 C ATOM 85 NH1 ARG A 8 101.434 -29.720 125.629 1.00 14.95 N ATOM 86 NH2 ARG A 8 101.112 -27.534 125.059 1.00 17.79 N ATOM 87 HE ARG A 8 98.770 -28.214 124.598 1.00 0.00 H ATOM 88 HH12 ARG A 8 102.432 -29.508 125.829 1.00 0.00 H ATOM 89 HH11 ARG A 8 101.072 -30.687 125.756 1.00 0.00 H ATOM 90 HH22 ARG A 8 102.113 -27.341 125.264 1.00 0.00 H ATOM 91 HH21 ARG A 8 100.491 -26.766 124.733 1.00 0.00 H ATOM 92 H ARG A 8 96.104 -31.523 122.501 1.00 0.00 H ATOM 93 N VAL A 9 95.581 -34.604 123.044 1.00 11.05 N ATOM 94 CA VAL A 9 94.880 -35.832 123.419 1.00 10.58 C ATOM 95 C VAL A 9 94.962 -36.797 122.242 1.00 10.96 C ATOM 96 O VAL A 9 94.554 -36.465 121.120 1.00 13.09 O ATOM 97 CB VAL A 9 93.420 -35.532 123.792 1.00 11.50 C ATOM 98 CG1 VAL A 9 92.691 -36.803 124.194 1.00 12.05 C ATOM 99 CG2 VAL A 9 93.350 -34.498 124.897 1.00 11.13 C ATOM 100 H VAL A 9 95.020 -33.787 122.729 1.00 0.00 H ATOM 101 N THR A 10 95.502 -37.983 122.485 1.00 10.60 N ATOM 102 CA THR A 10 95.959 -38.873 121.423 1.00 10.55 C ATOM 103 C THR A 10 95.493 -40.289 121.695 1.00 10.90 C ATOM 104 O THR A 10 95.698 -40.815 122.796 1.00 11.52 O ATOM 105 CB THR A 10 97.497 -38.851 121.399 1.00 11.72 C ATOM 106 OG1 THR A 10 97.957 -37.505 121.297 1.00 12.96 O ATOM 107 CG2 THR A 10 98.057 -39.653 120.235 1.00 13.51 C ATOM 108 HG1 THR A 10 97.609 -37.101 120.463 1.00 0.00 H ATOM 109 H THR A 10 95.604 -38.292 123.473 1.00 0.00 H ATOM 110 N LYS A 11 94.896 -40.917 120.699 1.00 11.64 N ATOM 111 CA LYS A 11 94.468 -42.295 120.831 1.00 12.66 C ATOM 112 C LYS A 11 95.672 -43.156 121.197 1.00 11.69 C ATOM 113 O LYS A 11 96.744 -43.028 120.605 1.00 12.56 O ATOM 114 CB LYS A 11 93.863 -42.761 119.506 1.00 14.44 C ATOM 115 CG LYS A 11 93.261 -44.163 119.567 1.00 18.01 C ATOM 116 CD LYS A 11 91.939 -44.174 120.350 1.00 21.83 C ATOM 117 CE LYS A 11 91.404 -45.573 120.580 1.00 25.07 C ATOM 118 NZ LYS A 11 92.076 -46.243 121.732 1.00 26.66 N ATOM 119 HZ1 LYS A 11 93.097 -46.311 121.545 1.00 0.00 H ATOM 120 HZ2 LYS A 11 91.917 -45.687 122.596 1.00 0.00 H ATOM 121 HZ3 LYS A 11 91.681 -47.197 121.855 1.00 0.00 H ATOM 122 H LYS A 11 94.730 -40.414 119.804 1.00 0.00 H ATOM 123 N PHE A 12 95.511 -44.045 122.168 1.00 12.26 N ATOM 124 CA PHE A 12 96.648 -44.835 122.633 1.00 12.83 C ATOM 125 C PHE A 12 96.148 -46.109 123.282 1.00 13.47 C ATOM 126 O PHE A 12 95.382 -46.052 124.249 1.00 13.16 O ATOM 127 CB PHE A 12 97.470 -44.029 123.620 1.00 13.15 C ATOM 128 CG PHE A 12 98.784 -44.655 123.946 1.00 12.92 C ATOM 129 CD1 PHE A 12 99.771 -44.734 122.983 1.00 14.97 C ATOM 130 CD2 PHE A 12 99.036 -45.182 125.200 1.00 13.57 C ATOM 131 CE1 PHE A 12 100.985 -45.301 123.262 1.00 16.77 C ATOM 132 CE2 PHE A 12 100.266 -45.752 125.477 1.00 14.76 C ATOM 133 CZ PHE A 12 101.230 -45.814 124.502 1.00 16.29 C ATOM 134 H PHE A 12 94.574 -44.180 122.599 1.00 0.00 H ATOM 135 N GLY A 13 96.599 -47.245 122.785 1.00 14.78 N ATOM 136 CA GLY A 13 96.198 -48.498 123.383 1.00 16.31 C ATOM 137 C GLY A 13 94.690 -48.618 123.403 1.00 17.38 C ATOM 138 O GLY A 13 94.005 -48.343 122.412 1.00 18.67 O ATOM 139 H GLY A 13 97.240 -47.239 121.966 1.00 0.00 H ATOM 140 N SER A 14 94.152 -49.005 124.557 1.00 17.93 N ATOM 141 CA SER A 14 92.714 -49.136 124.721 1.00 19.15 C ATOM 142 C SER A 14 92.055 -47.861 125.214 1.00 18.57 C ATOM 143 O SER A 14 90.891 -47.902 125.614 1.00 21.76 O ATOM 144 CB SER A 14 92.392 -50.289 125.670 1.00 20.56 C ATOM 145 OG SER A 14 92.995 -50.096 126.938 1.00 21.70 O ATOM 146 HG SER A 14 92.658 -49.255 127.338 1.00 0.00 H ATOM 147 H SER A 14 94.776 -49.219 125.361 1.00 0.00 H ATOM 148 N GLY A 15 92.756 -46.731 125.161 1.00 15.18 N ATOM 149 CA GLY A 15 92.204 -45.464 125.594 1.00 14.03 C ATOM 150 C GLY A 15 92.905 -44.310 124.937 1.00 12.30 C ATOM 151 O GLY A 15 92.993 -44.248 123.709 1.00 12.64 O ATOM 152 H GLY A 15 93.730 -46.759 124.798 1.00 0.00 H ATOM 153 N TRP A 16 93.424 -43.407 125.750 1.00 11.04 N ATOM 154 CA TRP A 16 94.008 -42.167 125.298 1.00 10.52 C ATOM 155 C TRP A 16 95.262 -41.892 126.102 1.00 9.54 C ATOM 156 O TRP A 16 95.443 -42.419 127.203 1.00 10.18 O ATOM 157 CB TRP A 16 93.029 -40.990 125.474 1.00 11.55 C ATOM 158 CG TRP A 16 91.753 -41.230 124.752 1.00 12.05 C ATOM 159 CD1 TRP A 16 90.674 -41.886 125.212 1.00 14.08 C ATOM 160 CD2 TRP A 16 91.471 -40.910 123.379 1.00 12.27 C ATOM 161 NE1 TRP A 16 89.713 -41.979 124.235 1.00 14.35 N ATOM 162 CE2 TRP A 16 90.180 -41.380 123.098 1.00 13.82 C ATOM 163 CE3 TRP A 16 92.176 -40.247 122.363 1.00 13.02 C ATOM 164 CZ2 TRP A 16 89.585 -41.243 121.835 1.00 14.30 C ATOM 165 CZ3 TRP A 16 91.573 -40.113 121.100 1.00 14.34 C ATOM 166 CH2 TRP A 16 90.294 -40.596 120.862 1.00 14.56 C ATOM 167 HE1 TRP A 16 88.783 -42.431 124.342 1.00 0.00 H ATOM 168 H TRP A 16 93.411 -43.600 126.772 1.00 0.00 H ATOM 169 N GLY A 17 96.079 -40.990 125.579 1.00 10.04 N ATOM 170 CA GLY A 17 97.101 -40.330 126.360 1.00 10.22 C ATOM 171 C GLY A 17 97.192 -38.871 125.986 1.00 9.47 C ATOM 172 O GLY A 17 96.384 -38.366 125.193 1.00 9.97 O ATOM 173 H GLY A 17 95.982 -40.748 124.572 1.00 0.00 H ATOM 174 N PHE A 18 98.191 -38.195 126.540 1.00 9.77 N ATOM 175 CA PHE A 18 98.258 -36.748 126.437 1.00 9.36 C ATOM 176 C PHE A 18 99.704 -36.290 126.329 1.00 9.31 C ATOM 177 O PHE A 18 100.524 -36.655 127.173 1.00 10.03 O ATOM 178 CB PHE A 18 97.618 -36.155 127.698 1.00 9.95 C ATOM 179 CG PHE A 18 97.573 -34.665 127.748 1.00 9.71 C ATOM 180 CD1 PHE A 18 96.611 -33.969 127.055 1.00 11.10 C ATOM 181 CD2 PHE A 18 98.444 -33.946 128.540 1.00 11.05 C ATOM 182 CE1 PHE A 18 96.502 -32.597 127.158 1.00 11.37 C ATOM 183 CE2 PHE A 18 98.340 -32.572 128.639 1.00 12.37 C ATOM 184 CZ PHE A 18 97.361 -31.900 127.947 1.00 11.78 C ATOM 185 H PHE A 18 98.935 -38.708 127.054 1.00 0.00 H ATOM 186 N TRP A 19 99.998 -35.453 125.326 1.00 9.88 N ATOM 187 CA TRP A 19 101.326 -34.849 125.202 1.00 9.83 C ATOM 188 C TRP A 19 101.442 -33.635 126.125 1.00 10.03 C ATOM 189 O TRP A 19 100.838 -32.588 125.871 1.00 11.51 O ATOM 190 CB TRP A 19 101.614 -34.439 123.757 1.00 10.41 C ATOM 191 CG TRP A 19 101.776 -35.590 122.843 1.00 10.25 C ATOM 192 CD1 TRP A 19 100.862 -36.092 122.009 1.00 10.56 C ATOM 193 CD2 TRP A 19 102.952 -36.389 122.686 1.00 10.13 C ATOM 194 NE1 TRP A 19 101.380 -37.169 121.314 1.00 10.99 N ATOM 195 CE2 TRP A 19 102.667 -37.367 121.722 1.00 10.50 C ATOM 196 CE3 TRP A 19 104.219 -36.361 123.253 1.00 10.75 C ATOM 197 CZ2 TRP A 19 103.598 -38.336 121.347 1.00 11.12 C ATOM 198 CZ3 TRP A 19 105.136 -37.322 122.880 1.00 12.15 C ATOM 199 CH2 TRP A 19 104.817 -38.294 121.937 1.00 11.35 C ATOM 200 HE1 TRP A 19 100.874 -37.733 120.601 1.00 0.00 H ATOM 201 H TRP A 19 99.268 -35.227 124.620 1.00 0.00 H ATOM 202 N VAL A 20 102.260 -33.766 127.175 1.00 11.11 N ATOM 203 CA VAL A 20 102.598 -32.655 128.067 1.00 11.58 C ATOM 204 C VAL A 20 103.564 -31.686 127.396 1.00 12.76 C ATOM 205 O VAL A 20 103.548 -30.482 127.680 1.00 14.36 O ATOM 206 CB VAL A 20 103.212 -33.221 129.367 1.00 12.62 C ATOM 207 CG1 VAL A 20 103.620 -32.098 130.335 1.00 13.99 C ATOM 208 CG2 VAL A 20 102.279 -34.192 130.037 1.00 12.68 C ATOM 209 H VAL A 20 102.675 -34.700 127.367 1.00 0.00 H ATOM 210 N SER A 21 104.415 -32.186 126.505 1.00 13.14 N ATOM 211 CA SER A 21 105.428 -31.388 125.833 1.00 14.04 C ATOM 212 C SER A 21 105.809 -32.136 124.562 1.00 13.43 C ATOM 213 O SER A 21 105.269 -33.216 124.293 1.00 13.28 O ATOM 214 CB SER A 21 106.646 -31.252 126.740 1.00 15.45 C ATOM 215 OG SER A 21 107.351 -32.479 126.772 1.00 16.94 O ATOM 216 HG SER A 21 108.141 -32.389 127.361 1.00 0.00 H ATOM 217 H SER A 21 104.353 -33.199 126.277 1.00 0.00 H ATOM 218 N PRO A 22 106.763 -31.633 123.776 1.00 13.93 N ATOM 219 CA PRO A 22 107.161 -32.378 122.569 1.00 14.48 C ATOM 220 C PRO A 22 107.702 -33.760 122.850 1.00 13.33 C ATOM 221 O PRO A 22 107.724 -34.600 121.934 1.00 14.07 O ATOM 222 CB PRO A 22 108.235 -31.479 121.948 1.00 15.65 C ATOM 223 CG PRO A 22 107.838 -30.118 122.377 1.00 15.65 C ATOM 224 CD PRO A 22 107.355 -30.285 123.793 1.00 16.03 C ATOM 225 N THR A 23 108.194 -34.006 124.068 1.00 14.21 N ATOM 226 CA THR A 23 108.853 -35.256 124.400 1.00 14.25 C ATOM 227 C THR A 23 108.142 -36.083 125.462 1.00 13.14 C ATOM 228 O THR A 23 108.504 -37.247 125.642 1.00 14.01 O ATOM 229 CB THR A 23 110.292 -35.001 124.889 1.00 16.53 C ATOM 230 OG1 THR A 23 110.239 -34.125 126.021 1.00 18.04 O ATOM 231 CG2 THR A 23 111.175 -34.391 123.775 1.00 17.79 C ATOM 232 HG1 THR A 23 111.158 -33.952 126.346 1.00 0.00 H ATOM 233 H THR A 23 108.102 -33.277 124.803 1.00 0.00 H ATOM 234 N VAL A 24 107.172 -35.525 126.195 1.00 12.73 N ATOM 235 CA VAL A 24 106.579 -36.204 127.351 1.00 12.29 C ATOM 236 C VAL A 24 105.122 -36.525 127.054 1.00 11.53 C ATOM 237 O VAL A 24 104.336 -35.627 126.742 1.00 11.27 O ATOM 238 CB VAL A 24 106.712 -35.369 128.631 1.00 13.64 C ATOM 239 CG1 VAL A 24 105.955 -36.018 129.780 1.00 14.35 C ATOM 240 CG2 VAL A 24 108.198 -35.228 128.996 1.00 14.72 C ATOM 241 H VAL A 24 106.827 -34.579 125.936 1.00 0.00 H ATOM 242 N PHE A 25 104.779 -37.810 127.177 1.00 10.82 N ATOM 243 CA PHE A 25 103.444 -38.343 126.932 1.00 10.31 C ATOM 244 C PHE A 25 102.999 -39.074 128.189 1.00 10.39 C ATOM 245 O PHE A 25 103.761 -39.861 128.747 1.00 12.39 O ATOM 246 CB PHE A 25 103.512 -39.320 125.749 1.00 10.58 C ATOM 247 CG PHE A 25 102.178 -39.805 125.277 1.00 10.51 C ATOM 248 CD1 PHE A 25 101.367 -38.998 124.515 1.00 10.73 C ATOM 249 CD2 PHE A 25 101.758 -41.099 125.540 1.00 11.72 C ATOM 250 CE1 PHE A 25 100.165 -39.457 124.031 1.00 12.35 C ATOM 251 CE2 PHE A 25 100.532 -41.560 125.046 1.00 12.91 C ATOM 252 CZ PHE A 25 99.756 -40.727 124.278 1.00 12.64 C ATOM 253 H PHE A 25 105.519 -38.480 127.469 1.00 0.00 H ATOM 254 N ILE A 26 101.770 -38.824 128.633 1.00 9.90 N ATOM 255 CA ILE A 26 101.245 -39.467 129.834 1.00 9.96 C ATOM 256 C ILE A 26 99.965 -40.220 129.500 1.00 9.55 C ATOM 257 O ILE A 26 99.208 -39.857 128.592 1.00 9.78 O ATOM 258 CB ILE A 26 101.023 -38.458 130.984 1.00 10.25 C ATOM 259 CG1 ILE A 26 99.955 -37.414 130.624 1.00 10.03 C ATOM 260 CG2 ILE A 26 102.362 -37.820 131.354 1.00 10.91 C ATOM 261 CD1 ILE A 26 99.620 -36.455 131.764 1.00 10.58 C ATOM 262 H ILE A 26 101.169 -38.154 128.112 1.00 0.00 H ATOM 263 N THR A 27 99.703 -41.260 130.281 1.00 10.05 N ATOM 264 CA THR A 27 98.507 -42.067 130.108 1.00 10.40 C ATOM 265 C THR A 27 98.282 -42.874 131.379 1.00 10.70 C ATOM 266 O THR A 27 99.047 -42.788 132.345 1.00 11.09 O ATOM 267 CB THR A 27 98.631 -42.972 128.869 1.00 11.79 C ATOM 268 OG1 THR A 27 97.398 -43.635 128.590 1.00 12.77 O ATOM 269 CG2 THR A 27 99.697 -44.017 129.050 1.00 13.17 C ATOM 270 HG1 THR A 27 96.693 -42.961 128.421 1.00 0.00 H ATOM 271 H THR A 27 100.372 -41.505 131.038 1.00 0.00 H ATOM 272 N THR A 28 97.213 -43.666 131.372 1.00 11.54 N ATOM 273 CA THR A 28 96.898 -44.555 132.477 1.00 11.87 C ATOM 274 C THR A 28 97.468 -45.933 132.176 1.00 13.61 C ATOM 275 O THR A 28 97.314 -46.440 131.066 1.00 13.64 O ATOM 276 CB THR A 28 95.389 -44.628 132.674 1.00 11.27 C ATOM 277 OG1 THR A 28 94.876 -43.295 132.730 1.00 9.35 O ATOM 278 CG2 THR A 28 95.095 -45.390 133.959 1.00 11.18 C ATOM 279 HG1 THR A 28 93.895 -43.325 132.858 1.00 0.00 H ATOM 280 H THR A 28 96.581 -43.648 130.547 1.00 0.00 H ATOM 281 N THR A 29 98.117 -46.529 133.162 1.00 14.55 N ATOM 282 CA THR A 29 98.911 -47.725 132.905 1.00 15.76 C ATOM 283 C THR A 29 98.094 -48.843 132.269 1.00 16.83 C ATOM 284 O THR A 29 98.569 -49.488 131.322 1.00 17.38 O ATOM 285 CB THR A 29 99.577 -48.190 134.195 1.00 16.65 C ATOM 286 OG1 THR A 29 100.319 -47.094 134.742 1.00 16.63 O ATOM 287 CG2 THR A 29 100.490 -49.405 133.940 1.00 17.77 C ATOM 288 HG1 THR A 29 101.006 -46.805 134.091 1.00 0.00 H ATOM 289 H THR A 29 98.061 -46.143 134.126 1.00 0.00 H ATOM 290 N HIS A 30 96.860 -49.077 132.736 1.00 16.90 N ATOM 291 CA HIS A 30 96.121 -50.224 132.216 1.00 17.21 C ATOM 292 C HIS A 30 95.724 -50.104 130.754 1.00 17.18 C ATOM 293 O HIS A 30 95.311 -51.115 130.175 1.00 18.75 O ATOM 294 CB HIS A 30 94.917 -50.617 133.085 1.00 17.68 C ATOM 295 CG HIS A 30 93.727 -49.699 132.997 1.00 17.53 C ATOM 296 ND1 HIS A 30 93.554 -48.613 133.827 1.00 17.80 N ATOM 297 CD2 HIS A 30 92.622 -49.748 132.214 1.00 19.10 C ATOM 298 CE1 HIS A 30 92.405 -48.021 133.545 1.00 18.30 C ATOM 299 NE2 HIS A 30 91.816 -48.695 132.576 1.00 19.09 N ATOM 300 H HIS A 30 96.437 -48.455 133.454 1.00 0.00 H ATOM 301 N VAL A 31 95.831 -48.926 130.143 1.00 15.47 N ATOM 302 CA VAL A 31 95.522 -48.825 128.718 1.00 15.79 C ATOM 303 C VAL A 31 96.748 -49.067 127.835 1.00 16.95 C ATOM 304 O VAL A 31 96.595 -49.231 126.616 1.00 17.92 O ATOM 305 CB VAL A 31 94.781 -47.528 128.322 1.00 17.26 C ATOM 306 CG1 VAL A 31 93.703 -47.155 129.340 1.00 18.75 C ATOM 307 CG2 VAL A 31 95.754 -46.396 128.105 1.00 17.49 C ATOM 308 H VAL A 31 96.132 -48.085 130.675 1.00 0.00 H ATOM 309 N VAL A 32 97.944 -49.116 128.410 1.00 17.65 N ATOM 310 CA VAL A 32 99.182 -49.251 127.626 1.00 18.71 C ATOM 311 C VAL A 32 99.262 -50.650 127.029 1.00 21.68 C ATOM 312 O VAL A 32 99.118 -51.642 127.765 1.00 22.05 O ATOM 313 CB VAL A 32 100.405 -48.982 128.505 1.00 18.34 C ATOM 314 CG1 VAL A 32 101.697 -49.108 127.699 1.00 18.84 C ATOM 315 CG2 VAL A 32 100.325 -47.611 129.137 1.00 18.94 C ATOM 316 H VAL A 32 98.008 -49.057 129.446 1.00 0.00 H ATOM 317 N PRO A 33 99.556 -50.779 125.732 1.00 23.83 N ATOM 318 CA PRO A 33 99.823 -52.105 125.154 1.00 26.01 C ATOM 319 C PRO A 33 101.058 -52.747 125.775 1.00 26.55 C ATOM 320 O PRO A 33 102.025 -52.070 126.115 1.00 27.57 O ATOM 321 CB PRO A 33 100.066 -51.802 123.670 1.00 27.01 C ATOM 322 CG PRO A 33 99.542 -50.449 123.428 1.00 26.51 C ATOM 323 CD PRO A 33 99.633 -49.708 124.725 1.00 24.59 C ATOM 324 N THR A 34 101.030 -54.070 125.913 1.00 28.46 N ATOM 325 CA THR A 34 102.182 -54.805 126.420 1.00 30.00 C ATOM 326 C THR A 34 102.778 -55.682 125.328 1.00 28.51 C ATOM 327 O THR A 34 102.120 -56.034 124.347 1.00 27.21 O ATOM 328 CB THR A 34 101.812 -55.673 127.627 1.00 33.97 C ATOM 329 OG1 THR A 34 100.938 -56.728 127.213 1.00 35.99 O ATOM 330 CG2 THR A 34 101.142 -54.835 128.704 1.00 35.13 C ATOM 331 HG1 THR A 34 100.115 -56.339 126.823 1.00 0.00 H ATOM 332 H THR A 34 100.168 -54.591 125.654 1.00 0.00 H ATOM 333 N GLY A 35 104.049 -56.026 125.513 1.00 28.18 N ATOM 334 CA GLY A 35 104.734 -56.874 124.566 1.00 28.39 C ATOM 335 C GLY A 35 105.092 -56.203 123.259 1.00 27.84 C ATOM 336 O GLY A 35 105.354 -56.896 122.278 1.00 29.12 O ATOM 337 H GLY A 35 104.557 -55.679 126.352 1.00 0.00 H ATOM 338 N VAL A 36 105.115 -54.874 123.214 1.00 25.58 N ATOM 339 CA VAL A 36 105.396 -54.147 121.981 1.00 24.21 C ATOM 340 C VAL A 36 106.841 -53.671 121.989 1.00 22.61 C ATOM 341 O VAL A 36 107.469 -53.522 123.038 1.00 24.21 O ATOM 342 CB VAL A 36 104.428 -52.958 121.759 1.00 24.04 C ATOM 343 CG1 VAL A 36 103.005 -53.451 121.587 1.00 25.11 C ATOM 344 CG2 VAL A 36 104.515 -51.955 122.902 1.00 23.88 C ATOM 345 H VAL A 36 104.927 -54.337 124.084 1.00 0.00 H ATOM 346 N LYS A 37 107.365 -53.389 120.797 1.00 21.57 N ATOM 347 CA LYS A 37 108.763 -53.001 120.633 1.00 20.86 C ATOM 348 C LYS A 37 108.940 -51.502 120.481 1.00 18.86 C ATOM 349 O LYS A 37 110.079 -51.026 120.419 1.00 17.86 O ATOM 350 CB LYS A 37 109.377 -53.687 119.404 1.00 20.87 C ATOM 351 CG LYS A 37 109.364 -55.185 119.436 1.00 21.80 C ATOM 352 CD LYS A 37 110.122 -55.762 118.231 1.00 22.55 C ATOM 353 CE LYS A 37 110.117 -57.282 118.267 1.00 24.02 C ATOM 354 NZ LYS A 37 110.756 -57.806 119.520 1.00 24.90 N ATOM 355 HZ1 LYS A 37 111.742 -57.479 119.568 1.00 0.00 H ATOM 356 HZ2 LYS A 37 110.233 -57.455 120.347 1.00 0.00 H ATOM 357 HZ3 LYS A 37 110.735 -58.846 119.510 1.00 0.00 H ATOM 358 H LYS A 37 106.758 -53.447 119.955 1.00 0.00 H ATOM 359 N GLU A 38 107.850 -50.752 120.399 1.00 17.94 N ATOM 360 CA GLU A 38 107.930 -49.344 120.077 1.00 17.02 C ATOM 361 C GLU A 38 106.632 -48.691 120.508 1.00 16.34 C ATOM 362 O GLU A 38 105.600 -49.349 120.661 1.00 17.16 O ATOM 363 CB GLU A 38 108.161 -49.133 118.572 1.00 19.37 C ATOM 364 CG GLU A 38 107.218 -49.914 117.677 1.00 23.49 C ATOM 365 CD GLU A 38 105.844 -49.310 117.587 1.00 26.84 C ATOM 366 OE1 GLU A 38 104.869 -50.085 117.457 1.00 29.12 O ATOM 367 OE2 GLU A 38 105.742 -48.066 117.659 1.00 27.37 O ATOM 368 H GLU A 38 106.920 -51.184 120.569 1.00 0.00 H ATOM 369 N PHE A 39 106.715 -47.389 120.712 1.00 15.01 N ATOM 370 CA PHE A 39 105.553 -46.529 120.877 1.00 15.57 C ATOM 371 C PHE A 39 105.721 -45.377 119.897 1.00 15.02 C ATOM 372 O PHE A 39 106.785 -44.753 119.847 1.00 14.70 O ATOM 373 CB PHE A 39 105.432 -46.010 122.315 1.00 17.42 C ATOM 374 CG PHE A 39 105.219 -47.105 123.341 1.00 19.26 C ATOM 375 CD1 PHE A 39 103.999 -47.748 123.441 1.00 20.90 C ATOM 376 CD2 PHE A 39 106.239 -47.493 124.190 1.00 21.94 C ATOM 377 CE1 PHE A 39 103.792 -48.746 124.384 1.00 21.51 C ATOM 378 CE2 PHE A 39 106.035 -48.491 125.133 1.00 22.89 C ATOM 379 CZ PHE A 39 104.815 -49.114 125.217 1.00 21.38 C ATOM 380 H PHE A 39 107.660 -46.956 120.757 1.00 0.00 H ATOM 381 N PHE A 40 104.688 -45.129 119.097 1.00 16.60 N ATOM 382 CA PHE A 40 104.720 -44.076 118.086 1.00 17.08 C ATOM 383 C PHE A 40 105.945 -44.197 117.189 1.00 17.28 C ATOM 384 O PHE A 40 106.530 -43.196 116.768 1.00 17.12 O ATOM 385 CB PHE A 40 104.642 -42.687 118.713 1.00 15.88 C ATOM 386 CG PHE A 40 103.399 -42.460 119.529 1.00 14.88 C ATOM 387 CD1 PHE A 40 102.160 -42.719 119.003 1.00 15.62 C ATOM 388 CD2 PHE A 40 103.473 -41.989 120.809 1.00 15.08 C ATOM 389 CE1 PHE A 40 101.011 -42.508 119.748 1.00 14.73 C ATOM 390 CE2 PHE A 40 102.330 -41.781 121.549 1.00 14.97 C ATOM 391 CZ PHE A 40 101.103 -42.038 121.018 1.00 14.78 C ATOM 392 H PHE A 40 103.828 -45.705 119.195 1.00 0.00 H ATOM 393 N GLY A 41 106.338 -45.443 116.901 1.00 17.49 N ATOM 394 CA GLY A 41 107.437 -45.731 116.013 1.00 17.70 C ATOM 395 C GLY A 41 108.803 -45.668 116.649 1.00 16.77 C ATOM 396 O GLY A 41 109.786 -46.011 115.982 1.00 18.12 O ATOM 397 H GLY A 41 105.829 -46.238 117.336 1.00 0.00 H ATOM 398 N GLU A 42 108.903 -45.249 117.898 1.00 15.10 N ATOM 399 CA GLU A 42 110.184 -45.130 118.568 1.00 14.61 C ATOM 400 C GLU A 42 110.484 -46.396 119.355 1.00 14.34 C ATOM 401 O GLU A 42 109.615 -46.905 120.077 1.00 14.61 O ATOM 402 CB GLU A 42 110.171 -43.948 119.531 1.00 14.55 C ATOM 403 CG GLU A 42 110.043 -42.626 118.815 1.00 15.84 C ATOM 404 CD GLU A 42 111.257 -42.362 117.959 1.00 18.14 C ATOM 405 OE1 GLU A 42 112.350 -42.182 118.546 1.00 18.87 O ATOM 406 OE2 GLU A 42 111.123 -42.383 116.716 1.00 20.16 O ATOM 407 H GLU A 42 108.037 -44.997 118.416 1.00 0.00 H ATOM 408 N PRO A 43 111.716 -46.880 119.248 1.00 13.82 N ATOM 409 CA PRO A 43 112.073 -48.109 119.950 1.00 15.04 C ATOM 410 C PRO A 43 112.102 -47.875 121.446 1.00 15.59 C ATOM 411 O PRO A 43 112.389 -46.777 121.918 1.00 15.64 O ATOM 412 CB PRO A 43 113.482 -48.406 119.421 1.00 14.66 C ATOM 413 CG PRO A 43 114.028 -47.062 119.132 1.00 15.10 C ATOM 414 CD PRO A 43 112.886 -46.279 118.580 1.00 14.42 C ATOM 415 N LEU A 44 111.831 -48.945 122.192 1.00 16.89 N ATOM 416 CA LEU A 44 111.901 -48.875 123.650 1.00 18.16 C ATOM 417 C LEU A 44 113.223 -48.296 124.130 1.00 18.18 C ATOM 418 O LEU A 44 113.255 -47.582 125.145 1.00 19.48 O ATOM 419 CB LEU A 44 111.724 -50.263 124.248 1.00 19.48 C ATOM 420 CG LEU A 44 110.400 -50.959 123.953 1.00 21.36 C ATOM 421 CD1 LEU A 44 110.366 -52.296 124.678 1.00 22.31 C ATOM 422 CD2 LEU A 44 109.201 -50.106 124.349 1.00 21.98 C ATOM 423 H LEU A 44 111.567 -49.840 121.732 1.00 0.00 H ATOM 424 N SER A 45 114.325 -48.601 123.436 1.00 18.33 N ATOM 425 CA SER A 45 115.632 -48.145 123.882 1.00 19.46 C ATOM 426 C SER A 45 115.786 -46.633 123.840 1.00 20.53 C ATOM 427 O SER A 45 116.766 -46.112 124.386 1.00 22.82 O ATOM 428 CB SER A 45 116.711 -48.797 123.022 1.00 20.08 C ATOM 429 OG SER A 45 116.505 -48.487 121.660 1.00 20.55 O ATOM 430 HG SER A 45 116.542 -47.505 121.537 1.00 0.00 H ATOM 431 H SER A 45 114.246 -49.170 122.569 1.00 0.00 H ATOM 432 N SER A 46 114.850 -45.927 123.215 1.00 17.86 N ATOM 433 CA SER A 46 114.899 -44.476 123.111 1.00 17.19 C ATOM 434 C SER A 46 113.833 -43.800 123.964 1.00 17.21 C ATOM 435 O SER A 46 113.583 -42.603 123.797 1.00 19.36 O ATOM 436 CB SER A 46 114.714 -44.051 121.655 1.00 16.64 C ATOM 437 OG SER A 46 113.373 -44.261 121.285 1.00 16.77 O ATOM 438 HG SER A 46 113.151 -45.221 121.385 1.00 0.00 H ATOM 439 H SER A 46 114.050 -46.432 122.783 1.00 0.00 H ATOM 440 N ILE A 47 113.194 -44.530 124.872 1.00 14.64 N ATOM 441 CA ILE A 47 112.116 -43.980 125.687 1.00 14.36 C ATOM 442 C ILE A 47 112.442 -44.234 127.151 1.00 14.97 C ATOM 443 O ILE A 47 112.780 -45.360 127.530 1.00 16.92 O ATOM 444 CB ILE A 47 110.766 -44.624 125.334 1.00 14.33 C ATOM 445 CG1 ILE A 47 110.492 -44.551 123.830 1.00 15.31 C ATOM 446 CG2 ILE A 47 109.643 -43.948 126.104 1.00 14.90 C ATOM 447 CD1 ILE A 47 109.315 -45.412 123.361 1.00 16.47 C ATOM 448 H ILE A 47 113.471 -45.524 125.006 1.00 0.00 H ATOM 449 N ALA A 48 112.339 -43.196 127.971 1.00 14.28 N ATOM 450 CA ALA A 48 112.433 -43.362 129.411 1.00 15.41 C ATOM 451 C ALA A 48 111.017 -43.518 129.953 1.00 15.85 C ATOM 452 O ALA A 48 110.181 -42.630 129.771 1.00 15.47 O ATOM 453 CB ALA A 48 113.112 -42.159 130.069 1.00 17.06 C ATOM 454 H ALA A 48 112.188 -42.246 127.575 1.00 0.00 H ATOM 455 N ILE A 49 110.735 -44.660 130.539 1.00 17.72 N ATOM 456 CA ILE A 49 109.419 -44.953 131.095 1.00 20.72 C ATOM 457 C ILE A 49 109.460 -44.747 132.599 1.00 22.43 C ATOM 458 O ILE A 49 110.405 -45.172 133.282 1.00 24.94 O ATOM 459 CB ILE A 49 108.993 -46.387 130.738 1.00 23.86 C ATOM 460 CG1 ILE A 49 108.914 -46.544 129.219 1.00 25.91 C ATOM 461 CG2 ILE A 49 107.656 -46.723 131.367 1.00 25.02 C ATOM 462 CD1 ILE A 49 108.912 -47.978 128.738 1.00 28.07 C ATOM 463 H ILE A 49 111.479 -45.383 130.609 1.00 0.00 H ATOM 464 N HIS A 50 108.425 -44.100 133.126 1.00 23.18 N ATOM 465 CA HIS A 50 108.264 -43.929 134.568 1.00 24.36 C ATOM 466 C HIS A 50 106.794 -44.165 134.856 1.00 24.96 C ATOM 467 O HIS A 50 105.945 -43.356 134.458 1.00 26.15 O ATOM 468 CB HIS A 50 108.672 -42.522 134.993 1.00 26.32 C ATOM 469 H HIS A 50 107.705 -43.702 132.490 1.00 0.00 H ATOM 470 N GLN A 51 106.484 -45.289 135.487 1.00 25.73 N ATOM 471 CA GLN A 51 105.103 -45.570 135.833 1.00 27.13 C ATOM 472 C GLN A 51 104.990 -46.134 137.237 1.00 25.46 C ATOM 473 O GLN A 51 105.851 -46.874 137.734 1.00 26.93 O ATOM 474 CB GLN A 51 104.417 -46.504 134.840 1.00 31.68 C ATOM 475 CG GLN A 51 105.004 -47.857 134.739 1.00 34.46 C ATOM 476 CD GLN A 51 104.887 -48.410 133.342 1.00 36.42 C ATOM 477 OE1 GLN A 51 104.030 -47.987 132.571 1.00 35.31 O ATOM 478 NE2 GLN A 51 105.760 -49.351 132.998 1.00 37.72 N ATOM 479 HE22 GLN A 51 106.469 -49.679 133.685 1.00 0.00 H ATOM 480 HE21 GLN A 51 105.734 -49.760 132.042 1.00 0.00 H ATOM 481 H GLN A 51 107.231 -45.969 135.734 1.00 0.00 H ATOM 482 N ALA A 52 103.895 -45.763 137.877 1.00 23.48 N ATOM 483 CA ALA A 52 103.581 -46.208 139.221 1.00 22.39 C ATOM 484 C ALA A 52 102.141 -45.819 139.498 1.00 20.04 C ATOM 485 O ALA A 52 101.698 -44.745 139.081 1.00 18.70 O ATOM 486 CB ALA A 52 104.481 -45.508 140.240 1.00 24.11 C ATOM 487 H ALA A 52 103.230 -45.124 137.396 1.00 0.00 H ATOM 488 N GLY A 53 101.416 -46.670 140.226 1.00 19.96 N ATOM 489 CA GLY A 53 100.111 -46.272 140.728 1.00 19.37 C ATOM 490 C GLY A 53 99.095 -45.939 139.663 1.00 18.52 C ATOM 491 O GLY A 53 98.219 -45.111 139.905 1.00 17.88 O ATOM 492 H GLY A 53 101.785 -47.620 140.435 1.00 0.00 H ATOM 493 N GLU A 54 99.170 -46.605 138.514 1.00 17.67 N ATOM 494 CA GLU A 54 98.327 -46.423 137.329 1.00 17.14 C ATOM 495 C GLU A 54 98.620 -45.157 136.531 1.00 15.06 C ATOM 496 O GLU A 54 97.901 -44.869 135.563 1.00 14.25 O ATOM 497 CB GLU A 54 96.826 -46.574 137.608 1.00 18.70 C ATOM 498 CG GLU A 54 96.361 -48.028 137.644 1.00 20.55 C ATOM 499 CD GLU A 54 96.537 -48.743 136.307 1.00 20.67 C ATOM 500 OE1 GLU A 54 97.260 -49.764 136.279 1.00 23.13 O ATOM 501 OE2 GLU A 54 95.966 -48.270 135.287 1.00 19.00 O ATOM 502 H GLU A 54 99.908 -47.335 138.449 1.00 0.00 H ATOM 503 N PHE A 55 99.672 -44.424 136.873 1.00 14.35 N ATOM 504 CA PHE A 55 100.133 -43.297 136.075 1.00 13.84 C ATOM 505 C PHE A 55 101.373 -43.710 135.287 1.00 14.17 C ATOM 506 O PHE A 55 102.355 -44.172 135.876 1.00 15.59 O ATOM 507 CB PHE A 55 100.482 -42.100 136.957 1.00 14.30 C ATOM 508 CG PHE A 55 100.674 -40.835 136.203 1.00 13.75 C ATOM 509 CD1 PHE A 55 101.866 -40.575 135.546 1.00 15.13 C ATOM 510 CD2 PHE A 55 99.663 -39.903 136.119 1.00 13.51 C ATOM 511 CE1 PHE A 55 102.031 -39.396 134.831 1.00 15.33 C ATOM 512 CE2 PHE A 55 99.834 -38.736 135.410 1.00 13.68 C ATOM 513 CZ PHE A 55 101.022 -38.476 134.775 1.00 13.78 C ATOM 514 H PHE A 55 100.187 -44.664 137.744 1.00 0.00 H ATOM 515 N THR A 56 101.336 -43.523 133.970 1.00 13.93 N ATOM 516 CA THR A 56 102.468 -43.824 133.100 1.00 14.09 C ATOM 517 C THR A 56 102.940 -42.562 132.395 1.00 13.70 C ATOM 518 O THR A 56 102.136 -41.842 131.779 1.00 13.68 O ATOM 519 CB THR A 56 102.085 -44.878 132.055 1.00 15.70 C ATOM 520 OG1 THR A 56 101.870 -46.133 132.708 1.00 16.25 O ATOM 521 CG2 THR A 56 103.187 -45.045 130.982 1.00 16.58 C ATOM 522 HG1 THR A 56 101.139 -46.039 133.369 1.00 0.00 H ATOM 523 H THR A 56 100.465 -43.147 133.544 1.00 0.00 H ATOM 524 N GLN A 57 104.244 -42.325 132.456 1.00 13.81 N ATOM 525 CA GLN A 57 104.896 -41.279 131.688 1.00 14.41 C ATOM 526 C GLN A 57 105.943 -41.888 130.763 1.00 13.95 C ATOM 527 O GLN A 57 106.730 -42.750 131.183 1.00 15.45 O ATOM 528 CB GLN A 57 105.563 -40.253 132.612 1.00 15.98 C ATOM 529 CG GLN A 57 106.346 -39.195 131.832 1.00 17.90 C ATOM 530 CD GLN A 57 107.046 -38.198 132.722 1.00 20.69 C ATOM 531 OE1 GLN A 57 106.428 -37.276 133.240 1.00 22.08 O ATOM 532 NE2 GLN A 57 108.344 -38.378 132.896 1.00 23.20 N ATOM 533 HE22 GLN A 57 108.825 -39.177 132.435 1.00 0.00 H ATOM 534 HE21 GLN A 57 108.884 -37.721 133.494 1.00 0.00 H ATOM 535 H GLN A 57 104.826 -42.916 133.083 1.00 0.00 H ATOM 536 N PHE A 58 105.930 -41.455 129.505 1.00 12.69 N ATOM 537 CA PHE A 58 106.995 -41.738 128.556 1.00 12.94 C ATOM 538 C PHE A 58 107.724 -40.449 128.240 1.00 13.01 C ATOM 539 O PHE A 58 107.091 -39.440 127.923 1.00 13.87 O ATOM 540 CB PHE A 58 106.427 -42.213 127.227 1.00 13.21 C ATOM 541 CG PHE A 58 105.718 -43.504 127.288 1.00 13.72 C ATOM 542 CD1 PHE A 58 105.987 -44.433 128.272 1.00 14.46 C ATOM 543 CD2 PHE A 58 104.772 -43.803 126.327 1.00 15.26 C ATOM 544 CE1 PHE A 58 105.315 -45.646 128.294 1.00 15.12 C ATOM 545 CE2 PHE A 58 104.098 -45.000 126.347 1.00 17.10 C ATOM 546 CZ PHE A 58 104.366 -45.923 127.333 1.00 16.34 C ATOM 547 H PHE A 58 105.120 -40.887 129.185 1.00 0.00 H ATOM 548 N ARG A 59 109.049 -40.487 128.287 1.00 13.36 N ATOM 549 CA ARG A 59 109.861 -39.364 127.841 1.00 15.12 C ATOM 550 C ARG A 59 110.677 -39.857 126.658 1.00 14.26 C ATOM 551 O ARG A 59 111.575 -40.694 126.813 1.00 14.52 O ATOM 552 CB ARG A 59 110.791 -38.831 128.926 1.00 18.39 C ATOM 553 CG ARG A 59 111.547 -37.590 128.471 1.00 21.30 C ATOM 554 CD ARG A 59 112.520 -37.073 129.530 1.00 24.86 C ATOM 555 NE ARG A 59 111.808 -36.586 130.711 1.00 27.60 N ATOM 556 CZ ARG A 59 111.297 -35.361 130.838 1.00 29.61 C ATOM 557 NH1 ARG A 59 111.431 -34.475 129.860 1.00 30.09 N ATOM 558 NH2 ARG A 59 110.648 -35.017 131.947 1.00 30.67 N ATOM 559 HE ARG A 59 111.692 -37.242 131.509 1.00 0.00 H ATOM 560 HH12 ARG A 59 111.031 -33.521 129.964 1.00 0.00 H ATOM 561 HH11 ARG A 59 111.937 -34.734 128.989 1.00 0.00 H ATOM 562 HH22 ARG A 59 110.251 -34.060 132.042 1.00 0.00 H ATOM 563 HH21 ARG A 59 110.538 -35.705 132.719 1.00 0.00 H ATOM 564 H ARG A 59 109.519 -41.340 128.651 1.00 0.00 H ATOM 565 N PHE A 60 110.353 -39.347 125.484 1.00 14.01 N ATOM 566 CA PHE A 60 111.004 -39.758 124.257 1.00 14.29 C ATOM 567 C PHE A 60 112.310 -39.005 124.113 1.00 16.71 C ATOM 568 O PHE A 60 112.417 -37.833 124.479 1.00 17.83 O ATOM 569 CB PHE A 60 110.072 -39.461 123.080 1.00 14.14 C ATOM 570 CG PHE A 60 108.859 -40.352 123.039 1.00 12.30 C ATOM 571 CD1 PHE A 60 107.707 -40.044 123.767 1.00 11.81 C ATOM 572 CD2 PHE A 60 108.873 -41.516 122.300 1.00 12.50 C ATOM 573 CE1 PHE A 60 106.614 -40.894 123.755 1.00 11.84 C ATOM 574 CE2 PHE A 60 107.765 -42.349 122.261 1.00 12.94 C ATOM 575 CZ PHE A 60 106.625 -42.035 122.997 1.00 11.96 C ATOM 576 H PHE A 60 109.605 -38.626 125.439 1.00 0.00 H ATOM 577 N SER A 61 113.320 -39.696 123.595 1.00 18.83 N ATOM 578 CA SER A 61 114.605 -39.052 123.349 1.00 20.62 C ATOM 579 C SER A 61 114.498 -38.028 122.238 1.00 22.32 C ATOM 580 O SER A 61 115.209 -37.022 122.252 1.00 25.88 O ATOM 581 CB SER A 61 115.668 -40.095 123.002 1.00 21.56 C ATOM 582 OG SER A 61 115.821 -41.010 124.062 1.00 23.00 O ATOM 583 HG SER A 61 116.511 -41.678 123.823 1.00 0.00 H ATOM 584 H SER A 61 113.193 -40.702 123.364 1.00 0.00 H ATOM 585 N LYS A 62 113.620 -38.260 121.267 1.00 23.77 N ATOM 586 CA LYS A 62 113.441 -37.281 120.208 1.00 25.99 C ATOM 587 C LYS A 62 112.162 -36.488 120.414 1.00 22.82 C ATOM 588 O LYS A 62 111.213 -36.948 121.061 1.00 21.13 O ATOM 589 CB LYS A 62 113.471 -37.892 118.805 1.00 30.46 C ATOM 590 CG LYS A 62 112.295 -38.748 118.428 1.00 32.60 C ATOM 591 CD LYS A 62 112.251 -39.008 116.909 1.00 33.80 C ATOM 592 CE LYS A 62 113.390 -39.896 116.432 1.00 34.19 C ATOM 593 NZ LYS A 62 113.029 -40.693 115.216 1.00 34.33 N ATOM 594 HZ1 LYS A 62 112.216 -41.304 115.432 1.00 0.00 H ATOM 595 HZ2 LYS A 62 112.781 -40.046 114.440 1.00 0.00 H ATOM 596 HZ3 LYS A 62 113.840 -41.280 114.934 1.00 0.00 H ATOM 597 H LYS A 62 113.064 -39.139 121.265 1.00 0.00 H ATOM 598 N LYS A 63 112.180 -35.262 119.905 1.00 22.43 N ATOM 599 CA LYS A 63 111.007 -34.394 119.913 1.00 22.84 C ATOM 600 C LYS A 63 109.953 -34.978 118.982 1.00 19.39 C ATOM 601 O LYS A 63 110.092 -34.924 117.766 1.00 20.63 O ATOM 602 CB LYS A 63 111.393 -32.993 119.449 1.00 27.82 C ATOM 603 CG LYS A 63 111.823 -32.012 120.544 1.00 31.89 C ATOM 604 CD LYS A 63 111.430 -30.586 120.126 1.00 34.90 C ATOM 605 CE LYS A 63 112.107 -29.504 120.956 1.00 37.32 C ATOM 606 NZ LYS A 63 111.970 -28.161 120.299 1.00 38.70 N ATOM 607 HZ1 LYS A 63 112.414 -28.189 119.359 1.00 0.00 H ATOM 608 HZ2 LYS A 63 110.962 -27.926 120.200 1.00 0.00 H ATOM 609 HZ3 LYS A 63 112.440 -27.441 120.884 1.00 0.00 H ATOM 610 H LYS A 63 113.063 -34.907 119.485 1.00 0.00 H ATOM 611 N MET A 64 108.879 -35.498 119.547 1.00 15.50 N ATOM 612 CA MET A 64 107.817 -36.154 118.789 1.00 13.48 C ATOM 613 C MET A 64 106.725 -35.191 118.359 1.00 13.24 C ATOM 614 O MET A 64 106.125 -35.374 117.294 1.00 13.33 O ATOM 615 CB MET A 64 107.201 -37.252 119.659 1.00 13.96 C ATOM 616 CG MET A 64 108.206 -38.307 120.054 1.00 16.70 C ATOM 617 SD MET A 64 108.757 -39.268 118.637 1.00 19.92 S ATOM 618 CE MET A 64 107.300 -40.274 118.416 1.00 22.37 C ATOM 619 H MET A 64 108.785 -35.438 120.581 1.00 0.00 H ATOM 620 N ARG A 65 106.455 -34.174 119.170 1.00 12.31 N ATOM 621 CA ARG A 65 105.393 -33.206 118.912 1.00 12.88 C ATOM 622 C ARG A 65 105.978 -31.807 119.082 1.00 13.84 C ATOM 623 O ARG A 65 105.601 -31.058 119.996 1.00 14.77 O ATOM 624 CB ARG A 65 104.196 -33.472 119.827 1.00 11.99 C ATOM 625 CG ARG A 65 103.395 -34.734 119.434 1.00 12.22 C ATOM 626 CD ARG A 65 102.628 -34.606 118.107 1.00 13.88 C ATOM 627 NE ARG A 65 101.772 -33.430 118.177 1.00 15.10 N ATOM 628 CZ ARG A 65 100.523 -33.413 118.652 1.00 15.86 C ATOM 629 NH1 ARG A 65 99.897 -34.537 119.005 1.00 15.22 N ATOM 630 NH2 ARG A 65 99.868 -32.254 118.731 1.00 16.83 N ATOM 631 HE ARG A 65 102.164 -32.532 117.830 1.00 0.00 H ATOM 632 HH12 ARG A 65 98.925 -34.497 119.372 1.00 0.00 H ATOM 633 HH11 ARG A 65 100.381 -35.453 118.913 1.00 0.00 H ATOM 634 HH22 ARG A 65 98.896 -32.230 119.099 1.00 0.00 H ATOM 635 HH21 ARG A 65 100.330 -31.374 118.424 1.00 0.00 H ATOM 636 H ARG A 65 107.028 -34.062 120.031 1.00 0.00 H ATOM 637 N PRO A 66 106.923 -31.428 118.210 1.00 14.83 N ATOM 638 CA PRO A 66 107.545 -30.095 118.320 1.00 16.19 C ATOM 639 C PRO A 66 106.578 -28.942 118.112 1.00 16.40 C ATOM 640 O PRO A 66 106.925 -27.793 118.416 1.00 17.84 O ATOM 641 CB PRO A 66 108.630 -30.120 117.225 1.00 16.64 C ATOM 642 CG PRO A 66 108.130 -31.109 116.243 1.00 16.39 C ATOM 643 CD PRO A 66 107.453 -32.180 117.052 1.00 15.74 C ATOM 644 N ASP A 67 105.367 -29.206 117.622 1.00 16.07 N ATOM 645 CA ASP A 67 104.346 -28.167 117.576 1.00 16.80 C ATOM 646 C ASP A 67 103.916 -27.680 118.958 1.00 17.14 C ATOM 647 O ASP A 67 103.328 -26.606 119.055 1.00 19.24 O ATOM 648 CB ASP A 67 103.132 -28.673 116.810 1.00 16.43 C ATOM 649 CG ASP A 67 102.510 -29.889 117.461 1.00 16.60 C ATOM 650 OD1 ASP A 67 103.243 -30.873 117.691 1.00 16.94 O ATOM 651 OD2 ASP A 67 101.292 -29.872 117.751 1.00 18.11 O ATOM 652 H ASP A 67 105.149 -30.160 117.270 1.00 0.00 H ATOM 653 N LEU A 68 104.158 -28.446 120.015 1.00 16.22 N ATOM 654 CA LEU A 68 103.611 -28.145 121.332 1.00 16.05 C ATOM 655 C LEU A 68 104.611 -27.441 122.237 1.00 18.54 C ATOM 656 O LEU A 68 105.801 -27.771 122.253 1.00 20.02 O ATOM 657 CB LEU A 68 103.216 -29.444 122.025 1.00 15.43 C ATOM 658 CG LEU A 68 102.132 -30.268 121.329 1.00 14.46 C ATOM 659 CD1 LEU A 68 101.965 -31.615 122.049 1.00 14.89 C ATOM 660 CD2 LEU A 68 100.801 -29.506 121.264 1.00 15.93 C ATOM 661 H LEU A 68 104.757 -29.288 119.900 1.00 0.00 H ATOM 662 N THR A 69 104.105 -26.487 123.010 1.00 19.24 N ATOM 663 CA THR A 69 104.845 -25.983 124.147 1.00 22.09 C ATOM 664 C THR A 69 104.812 -27.016 125.268 1.00 21.54 C ATOM 665 O THR A 69 103.928 -27.880 125.335 1.00 21.87 O ATOM 666 CB THR A 69 104.198 -24.697 124.657 1.00 24.00 C ATOM 667 OG1 THR A 69 102.870 -24.994 125.111 1.00 25.97 O ATOM 668 CG2 THR A 69 104.141 -23.631 123.557 1.00 25.59 C ATOM 669 HG1 THR A 69 102.340 -25.361 124.360 1.00 0.00 H ATOM 670 H THR A 69 103.165 -26.097 122.796 1.00 0.00 H ATOM 671 N GLY A 70 105.784 -26.916 126.170 1.00 21.80 N ATOM 672 CA GLY A 70 105.753 -27.717 127.377 1.00 22.11 C ATOM 673 C GLY A 70 104.851 -27.054 128.393 1.00 22.14 C ATOM 674 O GLY A 70 104.968 -25.853 128.652 1.00 24.56 O ATOM 675 H GLY A 70 106.573 -26.258 126.008 1.00 0.00 H ATOM 676 N MET A 71 103.934 -27.819 128.956 1.00 20.45 N ATOM 677 CA MET A 71 103.070 -27.293 129.999 1.00 20.53 C ATOM 678 C MET A 71 103.367 -27.982 131.325 1.00 20.05 C ATOM 679 O MET A 71 104.142 -28.937 131.408 1.00 20.38 O ATOM 680 CB MET A 71 101.601 -27.398 129.594 1.00 21.41 C ATOM 681 CG MET A 71 101.159 -28.788 129.348 1.00 20.16 C ATOM 682 SD MET A 71 99.451 -28.955 128.724 1.00 19.10 S ATOM 683 CE MET A 71 98.512 -28.568 130.193 1.00 18.84 C ATOM 684 H MET A 71 103.829 -28.807 128.650 1.00 0.00 H ATOM 685 N VAL A 72 102.770 -27.455 132.380 1.00 18.71 N ATOM 686 CA VAL A 72 103.039 -27.948 133.725 1.00 19.27 C ATOM 687 C VAL A 72 102.191 -29.180 133.988 1.00 17.18 C ATOM 688 O VAL A 72 100.972 -29.160 133.800 1.00 16.60 O ATOM 689 CB VAL A 72 102.768 -26.852 134.766 1.00 21.47 C ATOM 690 CG1 VAL A 72 102.865 -27.412 136.187 1.00 22.85 C ATOM 691 CG2 VAL A 72 103.731 -25.686 134.567 1.00 22.58 C ATOM 692 H VAL A 72 102.096 -26.674 132.248 1.00 0.00 H ATOM 693 N LEU A 73 102.853 -30.251 134.413 1.00 16.89 N ATOM 694 CA LEU A 73 102.233 -31.442 134.977 1.00 16.40 C ATOM 695 C LEU A 73 102.441 -31.409 136.493 1.00 16.48 C ATOM 696 O LEU A 73 103.586 -31.331 136.956 1.00 18.58 O ATOM 697 CB LEU A 73 102.895 -32.688 134.389 1.00 16.58 C ATOM 698 CG LEU A 73 102.575 -34.041 135.021 1.00 15.91 C ATOM 699 CD1 LEU A 73 101.093 -34.378 134.930 1.00 15.82 C ATOM 700 CD2 LEU A 73 103.431 -35.130 134.367 1.00 17.71 C ATOM 701 H LEU A 73 103.890 -30.238 134.337 1.00 0.00 H ATOM 702 N GLU A 74 101.346 -31.491 137.250 1.00 17.28 N ATOM 703 CA GLU A 74 101.383 -31.527 138.703 1.00 18.05 C ATOM 704 C GLU A 74 100.788 -32.832 139.210 1.00 17.18 C ATOM 705 O GLU A 74 100.041 -33.504 138.500 1.00 16.31 O ATOM 706 CB GLU A 74 100.617 -30.332 139.294 1.00 20.80 C ATOM 707 CG GLU A 74 101.343 -29.040 139.010 1.00 23.62 C ATOM 708 CD GLU A 74 100.791 -27.835 139.741 1.00 25.77 C ATOM 709 OE1 GLU A 74 99.631 -27.879 140.207 1.00 26.16 O ATOM 710 OE2 GLU A 74 101.537 -26.835 139.832 1.00 27.80 O ATOM 711 H GLU A 74 100.420 -31.531 136.778 1.00 0.00 H ATOM 712 N GLU A 75 101.138 -33.188 140.454 1.00 17.46 N ATOM 713 CA GLU A 75 100.607 -34.383 141.117 1.00 18.22 C ATOM 714 C GLU A 75 99.249 -34.034 141.718 1.00 16.92 C ATOM 715 O GLU A 75 99.134 -33.630 142.875 1.00 18.28 O ATOM 716 CB GLU A 75 101.568 -34.890 142.190 1.00 21.13 C ATOM 717 CG GLU A 75 101.015 -36.115 142.965 1.00 25.07 C ATOM 718 CD GLU A 75 101.981 -36.700 143.982 1.00 28.43 C ATOM 719 OE1 GLU A 75 103.078 -36.140 144.171 1.00 29.84 O ATOM 720 OE2 GLU A 75 101.628 -37.726 144.605 1.00 30.22 O ATOM 721 H GLU A 75 101.815 -32.591 140.971 1.00 0.00 H ATOM 722 N GLY A 76 98.200 -34.188 140.923 1.00 15.67 N ATOM 723 CA GLY A 76 96.874 -33.790 141.349 1.00 14.91 C ATOM 724 C GLY A 76 96.778 -32.284 141.478 1.00 14.63 C ATOM 725 O GLY A 76 97.636 -31.542 141.019 1.00 15.56 O ATOM 726 H GLY A 76 98.331 -34.601 139.978 1.00 0.00 H ATOM 727 N CYS A 77 95.702 -31.845 142.125 1.00 14.61 N ATOM 728 CA CYS A 77 95.406 -30.427 142.267 1.00 15.03 C ATOM 729 C CYS A 77 94.823 -30.174 143.653 1.00 16.10 C ATOM 730 O CYS A 77 94.407 -31.114 144.344 1.00 16.12 O ATOM 731 CB CYS A 77 94.416 -29.975 141.192 1.00 15.26 C ATOM 732 SG CYS A 77 92.863 -30.868 141.166 1.00 15.16 S ATOM 733 H CYS A 77 95.050 -32.539 142.544 1.00 0.00 H ATOM 734 N PRO A 78 94.754 -28.922 144.085 1.00 16.69 N ATOM 735 CA PRO A 78 94.136 -28.632 145.383 1.00 17.53 C ATOM 736 C PRO A 78 92.706 -29.144 145.453 1.00 16.81 C ATOM 737 O PRO A 78 91.956 -29.102 144.478 1.00 15.78 O ATOM 738 CB PRO A 78 94.186 -27.102 145.456 1.00 18.15 C ATOM 739 CG PRO A 78 95.378 -26.743 144.619 1.00 18.13 C ATOM 740 CD PRO A 78 95.322 -27.712 143.462 1.00 17.43 C ATOM 741 N GLU A 79 92.312 -29.613 146.633 1.00 16.46 N ATOM 742 CA GLU A 79 90.929 -30.029 146.803 1.00 16.33 C ATOM 743 C GLU A 79 90.011 -28.868 146.470 1.00 16.61 C ATOM 744 O GLU A 79 90.301 -27.711 146.795 1.00 17.96 O ATOM 745 CB GLU A 79 90.683 -30.508 148.230 1.00 17.68 C ATOM 746 CG GLU A 79 91.478 -31.745 148.502 1.00 18.43 C ATOM 747 CD GLU A 79 91.166 -32.409 149.813 1.00 18.70 C ATOM 748 OE1 GLU A 79 90.146 -32.075 150.481 1.00 18.14 O ATOM 749 OE2 GLU A 79 91.980 -33.292 150.178 1.00 20.12 O ATOM 750 H GLU A 79 92.984 -29.681 147.424 1.00 0.00 H ATOM 751 N GLY A 80 88.922 -29.186 145.781 1.00 15.81 N ATOM 752 CA GLY A 80 87.953 -28.203 145.372 1.00 16.32 C ATOM 753 C GLY A 80 88.189 -27.633 143.994 1.00 15.51 C ATOM 754 O GLY A 80 87.310 -26.938 143.472 1.00 16.90 O ATOM 755 H GLY A 80 88.763 -30.182 145.527 1.00 0.00 H ATOM 756 N THR A 81 89.348 -27.892 143.385 1.00 15.20 N ATOM 757 CA THR A 81 89.581 -27.461 142.013 1.00 15.21 C ATOM 758 C THR A 81 88.549 -28.107 141.100 1.00 13.90 C ATOM 759 O THR A 81 88.256 -29.298 141.211 1.00 14.77 O ATOM 760 CB THR A 81 90.987 -27.889 141.555 1.00 16.29 C ATOM 761 OG1 THR A 81 91.990 -27.382 142.448 1.00 17.78 O ATOM 762 CG2 THR A 81 91.278 -27.413 140.134 1.00 17.50 C ATOM 763 HG1 THR A 81 92.884 -27.669 142.135 1.00 0.00 H ATOM 764 H THR A 81 90.093 -28.407 143.896 1.00 0.00 H ATOM 765 N VAL A 82 88.021 -27.328 140.172 1.00 15.01 N ATOM 766 CA VAL A 82 87.189 -27.867 139.109 1.00 14.93 C ATOM 767 C VAL A 82 88.103 -28.186 137.930 1.00 14.60 C ATOM 768 O VAL A 82 88.769 -27.299 137.389 1.00 17.19 O ATOM 769 CB VAL A 82 86.071 -26.886 138.728 1.00 17.71 C ATOM 770 CG1 VAL A 82 85.288 -27.403 137.526 1.00 18.67 C ATOM 771 CG2 VAL A 82 85.145 -26.683 139.921 1.00 19.14 C ATOM 772 H VAL A 82 88.205 -26.305 140.203 1.00 0.00 H ATOM 773 N CYS A 83 88.144 -29.446 137.538 1.00 13.09 N ATOM 774 CA CYS A 83 88.902 -29.877 136.379 1.00 12.55 C ATOM 775 C CYS A 83 87.965 -30.184 135.228 1.00 12.73 C ATOM 776 O CYS A 83 86.766 -30.428 135.392 1.00 14.15 O ATOM 777 CB CYS A 83 89.726 -31.135 136.694 1.00 13.78 C ATOM 778 SG CYS A 83 91.140 -30.859 137.756 1.00 15.51 S ATOM 779 H CYS A 83 87.613 -30.156 138.081 1.00 0.00 H ATOM 780 N SER A 84 88.563 -30.184 134.050 1.00 11.96 N ATOM 781 CA SER A 84 87.937 -30.704 132.850 1.00 12.20 C ATOM 782 C SER A 84 88.672 -31.975 132.452 1.00 11.33 C ATOM 783 O SER A 84 89.906 -31.977 132.351 1.00 11.75 O ATOM 784 CB SER A 84 88.014 -29.666 131.732 1.00 14.48 C ATOM 785 OG SER A 84 87.198 -30.011 130.628 1.00 16.71 O ATOM 786 HG SER A 84 86.256 -30.077 130.924 1.00 0.00 H ATOM 787 H SER A 84 89.525 -29.794 133.980 1.00 0.00 H ATOM 788 N VAL A 85 87.928 -33.052 132.233 1.00 10.32 N ATOM 789 CA VAL A 85 88.492 -34.296 131.724 1.00 10.70 C ATOM 790 C VAL A 85 88.308 -34.250 130.211 1.00 10.99 C ATOM 791 O VAL A 85 87.177 -34.167 129.728 1.00 11.77 O ATOM 792 CB VAL A 85 87.815 -35.530 132.341 1.00 11.37 C ATOM 793 CG1 VAL A 85 88.579 -36.778 131.921 1.00 11.92 C ATOM 794 CG2 VAL A 85 87.743 -35.420 133.858 1.00 12.09 C ATOM 795 H VAL A 85 86.908 -33.007 132.431 1.00 0.00 H ATOM 796 N LEU A 86 89.420 -34.267 129.472 1.00 10.68 N ATOM 797 CA LEU A 86 89.370 -34.029 128.028 1.00 11.18 C ATOM 798 C LEU A 86 89.144 -35.353 127.305 1.00 11.18 C ATOM 799 O LEU A 86 90.061 -35.988 126.778 1.00 11.64 O ATOM 800 CB LEU A 86 90.633 -33.329 127.562 1.00 12.11 C ATOM 801 CG LEU A 86 90.998 -32.024 128.259 1.00 12.50 C ATOM 802 CD1 LEU A 86 92.186 -31.398 127.557 1.00 13.10 C ATOM 803 CD2 LEU A 86 89.824 -31.039 128.334 1.00 13.24 C ATOM 804 H LEU A 86 90.336 -34.452 129.929 1.00 0.00 H ATOM 805 N ILE A 87 87.886 -35.768 127.280 1.00 12.03 N ATOM 806 CA ILE A 87 87.475 -37.000 126.620 1.00 12.45 C ATOM 807 C ILE A 87 87.200 -36.724 125.148 1.00 13.42 C ATOM 808 O ILE A 87 86.406 -35.844 124.809 1.00 15.63 O ATOM 809 CB ILE A 87 86.243 -37.594 127.314 1.00 14.62 C ATOM 810 CG1 ILE A 87 86.629 -38.028 128.731 1.00 17.04 C ATOM 811 CG2 ILE A 87 85.697 -38.786 126.541 1.00 16.63 C ATOM 812 CD1 ILE A 87 85.470 -38.439 129.550 1.00 18.47 C ATOM 813 H ILE A 87 87.161 -35.190 127.751 1.00 0.00 H ATOM 814 N LYS A 88 87.867 -37.467 124.284 1.00 13.28 N ATOM 815 CA LYS A 88 87.597 -37.481 122.865 1.00 13.98 C ATOM 816 C LYS A 88 86.900 -38.787 122.542 1.00 13.97 C ATOM 817 O LYS A 88 87.081 -39.796 123.236 1.00 14.75 O ATOM 818 CB LYS A 88 88.903 -37.451 122.075 1.00 15.92 C ATOM 819 CG LYS A 88 89.562 -36.104 121.941 1.00 18.34 C ATOM 820 CD LYS A 88 90.745 -36.192 121.000 1.00 19.57 C ATOM 821 CE LYS A 88 91.277 -34.818 120.643 1.00 20.50 C ATOM 822 NZ LYS A 88 92.473 -34.934 119.797 1.00 20.56 N ATOM 823 HZ1 LYS A 88 93.209 -35.460 120.310 1.00 0.00 H ATOM 824 HZ2 LYS A 88 92.229 -35.441 118.922 1.00 0.00 H ATOM 825 HZ3 LYS A 88 92.824 -33.983 119.562 1.00 0.00 H ATOM 826 H LYS A 88 88.629 -38.076 124.645 1.00 0.00 H ATOM 827 N ARG A 89 86.137 -38.782 121.461 1.00 14.87 N ATOM 828 CA ARG A 89 85.571 -40.021 120.955 1.00 16.24 C ATOM 829 C ARG A 89 86.144 -40.281 119.568 1.00 15.38 C ATOM 830 O ARG A 89 86.832 -39.437 118.988 1.00 14.36 O ATOM 831 CB ARG A 89 84.033 -40.018 121.029 1.00 20.57 C ATOM 832 CG ARG A 89 83.488 -39.996 122.496 1.00 23.02 C ATOM 833 CD ARG A 89 83.639 -41.353 123.199 1.00 23.83 C ATOM 834 NE ARG A 89 83.380 -41.312 124.649 1.00 24.21 N ATOM 835 CZ ARG A 89 82.173 -41.374 125.211 1.00 26.31 C ATOM 836 NH1 ARG A 89 82.067 -41.345 126.536 1.00 27.25 N ATOM 837 NH2 ARG A 89 81.077 -41.465 124.462 1.00 27.50 N ATOM 838 HE ARG A 89 84.201 -41.228 125.282 1.00 0.00 H ATOM 839 HH12 ARG A 89 81.130 -41.393 126.984 1.00 0.00 H ATOM 840 HH11 ARG A 89 82.922 -41.274 127.125 1.00 0.00 H ATOM 841 HH22 ARG A 89 80.141 -41.513 124.913 1.00 0.00 H ATOM 842 HH21 ARG A 89 81.156 -41.488 123.425 1.00 0.00 H ATOM 843 H ARG A 89 85.941 -37.886 120.971 1.00 0.00 H ATOM 844 N ASP A 90 85.864 -41.476 119.044 1.00 16.05 N ATOM 845 CA ASP A 90 86.515 -41.925 117.811 1.00 17.58 C ATOM 846 C ASP A 90 86.243 -41.001 116.628 1.00 16.02 C ATOM 847 O ASP A 90 87.098 -40.859 115.750 1.00 16.93 O ATOM 848 CB ASP A 90 86.052 -43.341 117.477 1.00 20.32 C ATOM 849 CG ASP A 90 86.637 -44.385 118.409 1.00 24.80 C ATOM 850 OD1 ASP A 90 87.627 -44.066 119.103 1.00 26.59 O ATOM 851 OD2 ASP A 90 86.105 -45.520 118.440 1.00 27.32 O ATOM 852 H ASP A 90 85.175 -42.096 119.517 1.00 0.00 H ATOM 853 N SER A 91 85.083 -40.370 116.574 1.00 14.49 N ATOM 854 CA SER A 91 84.800 -39.456 115.469 1.00 13.81 C ATOM 855 C SER A 91 85.638 -38.185 115.509 1.00 13.37 C ATOM 856 O SER A 91 85.629 -37.419 114.537 1.00 13.66 O ATOM 857 CB SER A 91 83.351 -39.003 115.521 1.00 13.44 C ATOM 858 OG SER A 91 83.157 -38.294 116.739 1.00 13.04 O ATOM 859 HG SER A 91 82.217 -37.988 116.795 1.00 0.00 H ATOM 860 H SER A 91 84.372 -40.524 117.317 1.00 0.00 H ATOM 861 N GLY A 92 86.291 -37.905 116.633 1.00 14.83 N ATOM 862 CA GLY A 92 86.946 -36.639 116.850 1.00 15.44 C ATOM 863 C GLY A 92 86.128 -35.653 117.652 1.00 15.32 C ATOM 864 O GLY A 92 86.628 -34.580 117.985 1.00 16.80 O ATOM 865 H GLY A 92 86.331 -38.625 117.382 1.00 0.00 H ATOM 866 N GLU A 93 84.891 -35.999 117.975 1.00 14.73 N ATOM 867 CA GLU A 93 84.069 -35.174 118.849 1.00 14.32 C ATOM 868 C GLU A 93 84.754 -34.997 120.203 1.00 13.70 C ATOM 869 O GLU A 93 85.385 -35.919 120.735 1.00 14.15 O ATOM 870 CB GLU A 93 82.709 -35.839 119.043 1.00 14.51 C ATOM 871 CG GLU A 93 81.726 -35.046 119.898 1.00 17.84 C ATOM 872 CD GLU A 93 80.401 -35.752 120.107 1.00 19.06 C ATOM 873 OE1 GLU A 93 80.294 -36.950 119.759 1.00 18.23 O ATOM 874 OE2 GLU A 93 79.462 -35.106 120.646 1.00 21.57 O ATOM 875 H GLU A 93 84.497 -36.883 117.594 1.00 0.00 H ATOM 876 N LEU A 94 84.655 -33.783 120.738 1.00 13.69 N ATOM 877 CA LEU A 94 85.274 -33.395 122.001 1.00 13.77 C ATOM 878 C LEU A 94 84.196 -33.317 123.065 1.00 14.15 C ATOM 879 O LEU A 94 83.206 -32.603 122.895 1.00 15.35 O ATOM 880 CB LEU A 94 85.913 -32.015 121.863 1.00 15.02 C ATOM 881 CG LEU A 94 86.804 -31.791 120.651 1.00 16.46 C ATOM 882 CD1 LEU A 94 87.369 -30.380 120.702 1.00 18.01 C ATOM 883 CD2 LEU A 94 87.915 -32.820 120.591 1.00 15.75 C ATOM 884 H LEU A 94 84.103 -33.067 120.225 1.00 0.00 H ATOM 885 N LEU A 95 84.379 -34.031 124.174 1.00 15.09 N ATOM 886 CA LEU A 95 83.338 -34.138 125.196 1.00 17.42 C ATOM 887 C LEU A 95 83.963 -33.876 126.557 1.00 18.19 C ATOM 888 O LEU A 95 84.223 -34.812 127.327 1.00 20.51 O ATOM 889 CB LEU A 95 82.637 -35.493 125.117 1.00 20.47 C ATOM 890 CG LEU A 95 81.838 -35.702 123.825 1.00 23.51 C ATOM 891 CD1 LEU A 95 81.367 -37.145 123.680 1.00 25.46 C ATOM 892 CD2 LEU A 95 80.639 -34.763 123.757 1.00 24.00 C ATOM 893 H LEU A 95 85.283 -34.524 124.317 1.00 0.00 H ATOM 894 N PRO A 96 84.223 -32.612 126.885 1.00 18.53 N ATOM 895 CA PRO A 96 84.814 -32.310 128.195 1.00 18.53 C ATOM 896 C PRO A 96 83.852 -32.637 129.324 1.00 17.61 C ATOM 897 O PRO A 96 82.650 -32.352 129.246 1.00 18.92 O ATOM 898 CB PRO A 96 85.081 -30.803 128.125 1.00 20.25 C ATOM 899 CG PRO A 96 84.126 -30.296 127.096 1.00 20.99 C ATOM 900 CD PRO A 96 83.970 -31.394 126.099 1.00 20.05 C ATOM 901 N LEU A 97 84.401 -33.213 130.387 1.00 15.45 N ATOM 902 CA LEU A 97 83.637 -33.610 131.560 1.00 14.72 C ATOM 903 C LEU A 97 84.105 -32.771 132.745 1.00 13.21 C ATOM 904 O LEU A 97 85.291 -32.780 133.086 1.00 13.36 O ATOM 905 CB LEU A 97 83.881 -35.095 131.794 1.00 17.82 C ATOM 906 CG LEU A 97 83.380 -35.710 133.079 1.00 21.60 C ATOM 907 CD1 LEU A 97 81.864 -35.713 133.102 1.00 24.29 C ATOM 908 CD2 LEU A 97 83.926 -37.111 133.220 1.00 22.28 C ATOM 909 H LEU A 97 85.426 -33.389 130.381 1.00 0.00 H ATOM 910 N ALA A 98 83.189 -32.033 133.365 1.00 13.01 N ATOM 911 CA ALA A 98 83.539 -31.167 134.486 1.00 12.80 C ATOM 912 C ALA A 98 83.416 -31.943 135.790 1.00 12.44 C ATOM 913 O ALA A 98 82.385 -32.579 136.037 1.00 13.03 O ATOM 914 CB ALA A 98 82.613 -29.955 134.532 1.00 14.43 C ATOM 915 H ALA A 98 82.201 -32.074 133.044 1.00 0.00 H ATOM 916 N VAL A 99 84.452 -31.861 136.620 1.00 11.55 N ATOM 917 CA VAL A 99 84.570 -32.636 137.855 1.00 11.58 C ATOM 918 C VAL A 99 85.109 -31.725 138.952 1.00 11.97 C ATOM 919 O VAL A 99 85.999 -30.912 138.704 1.00 14.59 O ATOM 920 CB VAL A 99 85.536 -33.822 137.637 1.00 12.21 C ATOM 921 CG1 VAL A 99 85.662 -34.676 138.887 1.00 12.02 C ATOM 922 CG2 VAL A 99 85.092 -34.673 136.450 1.00 12.95 C ATOM 923 H VAL A 99 85.224 -31.207 136.377 1.00 0.00 H ATOM 924 N ARG A 100 84.588 -31.868 140.160 1.00 11.49 N ATOM 925 CA ARG A 100 85.103 -31.175 141.333 1.00 12.35 C ATOM 926 C ARG A 100 85.968 -32.158 142.107 1.00 11.58 C ATOM 927 O ARG A 100 85.505 -33.233 142.488 1.00 11.72 O ATOM 928 CB ARG A 100 83.953 -30.677 142.204 1.00 14.92 C ATOM 929 CG ARG A 100 84.439 -29.789 143.360 1.00 20.59 C ATOM 930 CD ARG A 100 83.587 -28.512 143.512 1.00 26.52 C ATOM 931 NE ARG A 100 84.325 -27.399 144.091 1.00 31.89 N ATOM 932 CZ ARG A 100 83.835 -26.170 144.201 1.00 35.69 C ATOM 933 NH1 ARG A 100 82.617 -25.899 143.746 1.00 37.06 N ATOM 934 NH2 ARG A 100 84.562 -25.212 144.763 1.00 37.08 N ATOM 935 HE ARG A 100 85.289 -27.576 144.438 1.00 0.00 H ATOM 936 HH12 ARG A 100 82.232 -24.937 143.832 1.00 0.00 H ATOM 937 HH11 ARG A 100 82.048 -26.649 143.304 1.00 0.00 H ATOM 938 HH22 ARG A 100 84.177 -24.250 144.849 1.00 0.00 H ATOM 939 HH21 ARG A 100 85.516 -25.424 145.118 1.00 0.00 H ATOM 940 H ARG A 100 83.774 -32.504 140.277 1.00 0.00 H ATOM 941 N MET A 101 87.217 -31.794 142.341 1.00 12.04 N ATOM 942 CA MET A 101 88.167 -32.747 142.878 1.00 11.74 C ATOM 943 C MET A 101 88.158 -32.785 144.403 1.00 11.86 C ATOM 944 O MET A 101 87.962 -31.772 145.093 1.00 12.81 O ATOM 945 CB MET A 101 89.571 -32.433 142.362 1.00 13.18 C ATOM 946 CG MET A 101 89.674 -32.455 140.806 1.00 13.78 C ATOM 947 SD MET A 101 89.056 -33.974 140.026 1.00 13.44 S ATOM 948 CE MET A 101 90.282 -35.132 140.585 1.00 14.97 C ATOM 949 H MET A 101 87.519 -30.820 142.139 1.00 0.00 H ATOM 950 N GLY A 102 88.404 -33.987 144.903 1.00 11.91 N ATOM 951 CA GLY A 102 88.533 -34.259 146.317 1.00 12.62 C ATOM 952 C GLY A 102 89.937 -34.695 146.675 1.00 13.38 C ATOM 953 O GLY A 102 90.908 -34.151 146.153 1.00 14.74 O ATOM 954 H GLY A 102 88.510 -34.781 144.240 1.00 0.00 H ATOM 955 N ALA A 103 90.069 -35.637 147.605 1.00 13.41 N ATOM 956 CA ALA A 103 91.371 -35.942 148.174 1.00 14.06 C ATOM 957 C ALA A 103 92.259 -36.760 147.247 1.00 13.86 C ATOM 958 O ALA A 103 91.808 -37.682 146.558 1.00 13.94 O ATOM 959 CB ALA A 103 91.192 -36.726 149.471 1.00 15.61 C ATOM 960 H ALA A 103 89.231 -36.161 147.929 1.00 0.00 H ATOM 961 N ILE A 104 93.544 -36.447 147.299 1.00 14.44 N ATOM 962 CA ILE A 104 94.592 -37.295 146.744 1.00 15.80 C ATOM 963 C ILE A 104 94.902 -38.404 147.735 1.00 16.94 C ATOM 964 O ILE A 104 95.125 -38.135 148.920 1.00 18.74 O ATOM 965 CB ILE A 104 95.853 -36.461 146.475 1.00 17.43 C ATOM 966 CG1 ILE A 104 95.526 -35.349 145.483 1.00 18.67 C ATOM 967 CG2 ILE A 104 96.966 -37.337 145.988 1.00 18.29 C ATOM 968 CD1 ILE A 104 96.621 -34.344 145.303 1.00 20.36 C ATOM 969 H ILE A 104 93.819 -35.555 147.757 1.00 0.00 H ATOM 970 N ALA A 105 94.925 -39.649 147.269 1.00 17.04 N ATOM 971 CA ALA A 105 95.210 -40.769 148.154 1.00 19.48 C ATOM 972 C ALA A 105 95.634 -41.985 147.347 1.00 21.16 C ATOM 973 O ALA A 105 95.384 -42.074 146.147 1.00 20.80 O ATOM 974 CB ALA A 105 93.978 -41.122 148.983 1.00 20.82 C ATOM 975 H ALA A 105 94.737 -39.825 146.261 1.00 0.00 H ATOM 976 N SER A 106 96.267 -42.932 148.030 1.00 23.92 N ATOM 977 CA SER A 106 96.517 -44.249 147.466 1.00 26.80 C ATOM 978 C SER A 106 95.331 -45.145 147.787 1.00 27.00 C ATOM 979 O SER A 106 94.892 -45.208 148.938 1.00 27.66 O ATOM 980 CB SER A 106 97.801 -44.834 148.054 1.00 29.89 C ATOM 981 OG SER A 106 98.927 -44.203 147.471 1.00 31.49 O ATOM 982 HG SER A 106 99.755 -44.586 147.856 1.00 0.00 H ATOM 983 H SER A 106 96.593 -42.726 148.996 1.00 0.00 H ATOM 984 N MET A 107 94.795 -45.814 146.771 1.00 26.85 N ATOM 985 CA MET A 107 93.616 -46.645 146.950 1.00 30.08 C ATOM 986 C MET A 107 93.741 -47.853 146.036 1.00 29.94 C ATOM 987 O MET A 107 94.465 -47.827 145.041 1.00 31.40 O ATOM 988 CB MET A 107 92.334 -45.863 146.645 1.00 33.38 C ATOM 989 CG MET A 107 92.256 -45.420 145.207 1.00 35.46 C ATOM 990 SD MET A 107 91.104 -44.069 144.836 1.00 37.09 S ATOM 991 CE MET A 107 92.109 -42.610 145.093 1.00 37.16 C ATOM 992 H MET A 107 95.228 -45.741 145.828 1.00 0.00 H ATOM 993 N ARG A 108 93.031 -48.916 146.380 1.00 29.81 N ATOM 994 CA ARG A 108 93.039 -50.145 145.603 1.00 30.03 C ATOM 995 C ARG A 108 91.745 -50.235 144.811 1.00 29.79 C ATOM 996 O ARG A 108 90.654 -50.122 145.381 1.00 30.54 O ATOM 997 CB ARG A 108 93.180 -51.355 146.526 1.00 31.34 C ATOM 998 CG ARG A 108 94.623 -51.775 146.752 1.00 32.28 C ATOM 999 H ARG A 108 92.445 -48.870 147.238 1.00 0.00 H ATOM 1000 N ILE A 109 91.877 -50.424 143.500 1.00 29.12 N ATOM 1001 CA ILE A 109 90.747 -50.528 142.584 1.00 29.20 C ATOM 1002 C ILE A 109 90.962 -51.781 141.756 1.00 30.38 C ATOM 1003 O ILE A 109 92.015 -51.936 141.124 1.00 29.82 O ATOM 1004 CB ILE A 109 90.628 -49.286 141.684 1.00 27.79 C ATOM 1005 CG1 ILE A 109 90.459 -48.040 142.554 1.00 27.95 C ATOM 1006 CG2 ILE A 109 89.462 -49.437 140.702 1.00 27.69 C ATOM 1007 CD1 ILE A 109 90.338 -46.745 141.804 1.00 28.11 C ATOM 1008 H ILE A 109 92.837 -50.502 143.108 1.00 0.00 H ATOM 1009 N GLN A 110 89.975 -52.677 141.765 1.00 32.28 N ATOM 1010 CA GLN A 110 90.100 -53.969 141.095 1.00 34.12 C ATOM 1011 C GLN A 110 91.444 -54.612 141.410 1.00 34.98 C ATOM 1012 O GLN A 110 92.134 -55.131 140.531 1.00 35.87 O ATOM 1013 CB GLN A 110 89.893 -53.843 139.588 1.00 34.66 C ATOM 1014 CG GLN A 110 88.463 -53.595 139.173 1.00 35.36 C ATOM 1015 CD GLN A 110 88.337 -53.385 137.678 1.00 35.97 C ATOM 1016 OE1 GLN A 110 87.646 -52.482 137.234 1.00 34.15 O ATOM 1017 NE2 GLN A 110 89.008 -54.228 136.891 1.00 37.67 N ATOM 1018 HE22 GLN A 110 89.585 -54.984 137.311 1.00 0.00 H ATOM 1019 HE21 GLN A 110 88.954 -54.129 135.857 1.00 0.00 H ATOM 1020 H GLN A 110 89.091 -52.450 142.263 1.00 0.00 H ATOM 1021 N GLY A 111 91.831 -54.550 142.682 1.00 35.00 N ATOM 1022 CA GLY A 111 93.046 -55.182 143.138 1.00 35.64 C ATOM 1023 C GLY A 111 94.334 -54.528 142.692 1.00 35.42 C ATOM 1024 O GLY A 111 95.406 -55.073 142.978 1.00 36.32 O ATOM 1025 H GLY A 111 91.242 -54.032 143.366 1.00 0.00 H ATOM 1026 N ARG A 112 94.281 -53.393 141.999 1.00 33.32 N ATOM 1027 CA ARG A 112 95.479 -52.671 141.601 1.00 32.63 C ATOM 1028 C ARG A 112 95.616 -51.401 142.431 1.00 31.52 C ATOM 1029 O ARG A 112 94.621 -50.736 142.744 1.00 31.48 O ATOM 1030 CB ARG A 112 95.439 -52.304 140.112 1.00 32.61 C ATOM 1031 H ARG A 112 93.352 -53.010 141.733 1.00 0.00 H ATOM 1032 N LEU A 113 96.853 -51.062 142.771 1.00 30.08 N ATOM 1033 CA LEU A 113 97.131 -49.809 143.460 1.00 30.34 C ATOM 1034 C LEU A 113 96.969 -48.639 142.492 1.00 26.70 C ATOM 1035 O LEU A 113 97.635 -48.574 141.449 1.00 26.66 O ATOM 1036 CB LEU A 113 98.551 -49.840 144.016 1.00 33.74 C ATOM 1037 CG LEU A 113 99.090 -48.525 144.585 1.00 37.16 C ATOM 1038 CD1 LEU A 113 98.211 -48.022 145.721 1.00 38.08 C ATOM 1039 CD2 LEU A 113 100.533 -48.701 145.046 1.00 38.44 C ATOM 1040 H LEU A 113 97.639 -51.703 142.541 1.00 0.00 H ATOM 1041 N VAL A 114 96.087 -47.713 142.837 1.00 23.91 N ATOM 1042 CA VAL A 114 95.930 -46.458 142.121 1.00 22.39 C ATOM 1043 C VAL A 114 96.370 -45.352 143.059 1.00 21.38 C ATOM 1044 O VAL A 114 95.770 -45.161 144.118 1.00 22.64 O ATOM 1045 CB VAL A 114 94.478 -46.246 141.674 1.00 22.33 C ATOM 1046 CG1 VAL A 114 94.347 -44.925 140.950 1.00 21.58 C ATOM 1047 CG2 VAL A 114 94.029 -47.389 140.785 1.00 23.07 C ATOM 1048 H VAL A 114 95.477 -47.893 143.660 1.00 0.00 H ATOM 1049 N HIS A 115 97.419 -44.626 142.691 1.00 19.34 N ATOM 1050 CA HIS A 115 97.758 -43.394 143.386 1.00 18.60 C ATOM 1051 C HIS A 115 96.996 -42.298 142.671 1.00 16.34 C ATOM 1052 O HIS A 115 97.308 -41.972 141.523 1.00 16.35 O ATOM 1053 CB HIS A 115 99.258 -43.118 143.384 1.00 22.24 C ATOM 1054 CG HIS A 115 99.617 -41.871 144.124 1.00 23.78 C ATOM 1055 ND1 HIS A 115 99.397 -41.712 145.477 1.00 25.45 N ATOM 1056 CD2 HIS A 115 100.138 -40.702 143.685 1.00 25.36 C ATOM 1057 CE1 HIS A 115 99.786 -40.502 145.842 1.00 25.66 C ATOM 1058 NE2 HIS A 115 100.241 -39.871 144.774 1.00 25.83 N ATOM 1059 H HIS A 115 98.007 -44.943 141.894 1.00 0.00 H ATOM 1060 N GLY A 116 95.955 -41.778 143.307 1.00 15.89 N ATOM 1061 CA GLY A 116 95.005 -41.019 142.530 1.00 15.70 C ATOM 1062 C GLY A 116 94.362 -39.897 143.303 1.00 14.80 C ATOM 1063 O GLY A 116 94.705 -39.598 144.447 1.00 16.48 O ATOM 1064 H GLY A 116 95.828 -41.913 144.330 1.00 0.00 H ATOM 1065 N GLN A 117 93.433 -39.250 142.633 1.00 12.85 N ATOM 1066 CA GLN A 117 92.620 -38.217 143.239 1.00 11.78 C ATOM 1067 C GLN A 117 91.177 -38.484 142.849 1.00 11.26 C ATOM 1068 O GLN A 117 90.866 -38.690 141.673 1.00 11.61 O ATOM 1069 CB GLN A 117 93.091 -36.830 142.791 1.00 12.20 C ATOM 1070 CG GLN A 117 92.446 -35.723 143.549 1.00 12.34 C ATOM 1071 CD GLN A 117 93.075 -34.380 143.317 1.00 13.06 C ATOM 1072 OE1 GLN A 117 93.961 -34.241 142.470 1.00 14.42 O ATOM 1073 NE2 GLN A 117 92.619 -33.372 144.042 1.00 13.56 N ATOM 1074 HE22 GLN A 117 91.870 -33.534 144.746 1.00 0.00 H ATOM 1075 HE21 GLN A 117 93.009 -32.417 143.908 1.00 0.00 H ATOM 1076 H GLN A 117 93.277 -39.489 141.633 1.00 0.00 H ATOM 1077 N SER A 118 90.297 -38.540 143.842 1.00 11.42 N ATOM 1078 CA SER A 118 88.880 -38.734 143.597 1.00 11.61 C ATOM 1079 C SER A 118 88.249 -37.401 143.213 1.00 11.14 C ATOM 1080 O SER A 118 88.764 -36.325 143.541 1.00 12.10 O ATOM 1081 CB SER A 118 88.184 -39.286 144.850 1.00 12.89 C ATOM 1082 OG SER A 118 88.702 -40.548 145.268 1.00 13.36 O ATOM 1083 HG SER A 118 89.666 -40.455 145.476 1.00 0.00 H ATOM 1084 H SER A 118 90.632 -38.442 144.822 1.00 0.00 H ATOM 1085 N GLY A 119 87.115 -37.476 142.537 1.00 10.96 N ATOM 1086 CA GLY A 119 86.373 -36.279 142.201 1.00 10.94 C ATOM 1087 C GLY A 119 84.926 -36.643 141.978 1.00 10.42 C ATOM 1088 O GLY A 119 84.567 -37.815 141.840 1.00 11.83 O ATOM 1089 H GLY A 119 86.752 -38.405 142.243 1.00 0.00 H ATOM 1090 N MET A 120 84.094 -35.614 141.948 1.00 10.61 N ATOM 1091 CA MET A 120 82.659 -35.772 141.773 1.00 12.20 C ATOM 1092 C MET A 120 82.243 -35.123 140.467 1.00 11.66 C ATOM 1093 O MET A 120 82.561 -33.961 140.220 1.00 12.02 O ATOM 1094 CB MET A 120 81.904 -35.103 142.922 1.00 15.01 C ATOM 1095 CG MET A 120 82.353 -35.542 144.306 1.00 18.69 C ATOM 1096 SD MET A 120 81.096 -36.438 145.225 1.00 21.42 S ATOM 1097 CE MET A 120 80.906 -37.823 144.128 1.00 17.21 C ATOM 1098 H MET A 120 84.482 -34.655 142.054 1.00 0.00 H ATOM 1099 N LEU A 121 81.511 -35.867 139.653 1.00 12.44 N ATOM 1100 CA LEU A 121 80.975 -35.282 138.442 1.00 14.74 C ATOM 1101 C LEU A 121 80.052 -34.136 138.820 1.00 14.19 C ATOM 1102 O LEU A 121 79.228 -34.265 139.727 1.00 14.94 O ATOM 1103 CB LEU A 121 80.180 -36.356 137.701 1.00 20.06 C ATOM 1104 CG LEU A 121 79.558 -36.014 136.353 1.00 25.30 C ATOM 1105 CD1 LEU A 121 79.603 -37.236 135.454 1.00 27.39 C ATOM 1106 CD2 LEU A 121 78.137 -35.554 136.552 1.00 26.36 C ATOM 1107 H LEU A 121 81.322 -36.864 139.882 1.00 0.00 H ATOM 1108 N LEU A 122 80.176 -33.013 138.111 1.00 14.45 N ATOM 1109 CA LEU A 122 79.299 -31.859 138.320 1.00 15.98 C ATOM 1110 C LEU A 122 78.084 -32.019 137.418 1.00 18.45 C ATOM 1111 O LEU A 122 78.152 -31.747 136.217 1.00 19.36 O ATOM 1112 CB LEU A 122 80.046 -30.561 138.037 1.00 16.94 C ATOM 1113 CG LEU A 122 81.140 -30.218 139.059 1.00 17.49 C ATOM 1114 CD1 LEU A 122 82.085 -29.158 138.544 1.00 18.65 C ATOM 1115 CD2 LEU A 122 80.504 -29.765 140.358 1.00 19.19 C ATOM 1116 H LEU A 122 80.920 -32.955 137.386 1.00 0.00 H ATOM 1117 N THR A 123 76.965 -32.459 138.000 1.00 20.86 N ATOM 1118 CA THR A 123 75.729 -32.609 137.239 1.00 24.34 C ATOM 1119 C THR A 123 75.317 -31.298 136.580 1.00 24.68 C ATOM 1120 O THR A 123 74.763 -31.303 135.475 1.00 28.51 O ATOM 1121 CB THR A 123 74.591 -33.077 138.150 1.00 25.59 C ATOM 1122 OG1 THR A 123 74.964 -34.297 138.805 1.00 26.50 O ATOM 1123 CG2 THR A 123 73.303 -33.286 137.361 1.00 27.30 C ATOM 1124 HG1 THR A 123 75.147 -34.993 138.125 1.00 0.00 H ATOM 1125 H THR A 123 76.975 -32.699 139.012 1.00 0.00 H ATOM 1126 N GLY A 124 75.586 -30.171 137.230 1.00 25.04 N ATOM 1127 CA GLY A 124 75.161 -28.867 136.763 1.00 25.40 C ATOM 1128 C GLY A 124 76.089 -28.191 135.783 1.00 25.01 C ATOM 1129 O GLY A 124 75.783 -27.075 135.341 1.00 26.49 O ATOM 1130 H GLY A 124 76.127 -30.227 138.116 1.00 0.00 H ATOM 1131 N ALA A 125 77.188 -28.842 135.393 1.00 23.02 N ATOM 1132 CA ALA A 125 78.120 -28.283 134.420 1.00 22.15 C ATOM 1133 C ALA A 125 78.323 -29.211 133.234 1.00 21.66 C ATOM 1134 O ALA A 125 79.215 -28.970 132.415 1.00 22.59 O ATOM 1135 CB ALA A 125 79.464 -27.956 135.077 1.00 23.26 C ATOM 1136 H ALA A 125 77.386 -29.780 135.797 1.00 0.00 H ATOM 1137 N ASN A 126 77.492 -30.236 133.097 1.00 21.10 N ATOM 1138 CA ASN A 126 77.665 -31.256 132.078 1.00 21.23 C ATOM 1139 C ASN A 126 76.319 -31.508 131.420 1.00 23.37 C ATOM 1140 O ASN A 126 75.272 -31.397 132.065 1.00 25.80 O ATOM 1141 CB ASN A 126 78.206 -32.587 132.665 1.00 20.76 C ATOM 1142 CG ASN A 126 79.669 -32.503 133.091 1.00 19.99 C ATOM 1143 OD1 ASN A 126 80.540 -32.217 132.293 1.00 19.67 O ATOM 1144 ND2 ASN A 126 79.930 -32.755 134.353 1.00 21.19 N ATOM 1145 HD22 ASN A 126 79.157 -32.996 135.006 1.00 0.00 H ATOM 1146 HD21 ASN A 126 80.910 -32.713 134.700 1.00 0.00 H ATOM 1147 H ASN A 126 76.683 -30.312 133.746 1.00 0.00 H ATOM 1148 N ALA A 127 76.357 -31.835 130.129 1.00 24.61 N ATOM 1149 CA ALA A 127 75.148 -32.206 129.405 1.00 27.70 C ATOM 1150 C ALA A 127 74.736 -33.621 129.794 1.00 31.70 C ATOM 1151 O ALA A 127 75.584 -34.488 130.026 1.00 32.78 O ATOM 1152 CB ALA A 127 75.385 -32.117 127.896 1.00 27.74 C ATOM 1153 H ALA A 127 77.268 -31.825 129.628 1.00 0.00 H ATOM 1154 N LYS A 128 73.427 -33.843 129.901 1.00 34.56 N ATOM 1155 CA LYS A 128 72.911 -35.147 130.293 1.00 37.75 C ATOM 1156 C LYS A 128 72.997 -36.099 129.106 1.00 40.20 C ATOM 1157 O LYS A 128 72.612 -35.745 127.988 1.00 39.64 O ATOM 1158 CB LYS A 128 71.463 -35.021 130.763 1.00 38.06 C ATOM 1159 H LYS A 128 72.761 -33.070 129.701 1.00 0.00 H ATOM 1160 N GLY A 129 73.524 -37.296 129.344 1.00 42.66 N ATOM 1161 CA GLY A 129 73.641 -38.290 128.292 1.00 44.49 C ATOM 1162 C GLY A 129 74.099 -39.635 128.812 1.00 45.90 C ATOM 1163 O GLY A 129 73.757 -40.674 128.249 1.00 46.91 O ATOM 1164 H GLY A 129 73.859 -37.525 130.302 1.00 0.00 H TER 1165 GLY A 129 ATOM 1166 N ASP A 131 77.566 -40.678 128.529 1.00 36.52 N ATOM 1167 CA ASP A 131 78.260 -41.726 129.265 1.00 36.50 C ATOM 1168 C ASP A 131 79.724 -41.377 129.396 1.00 33.24 C ATOM 1169 O ASP A 131 80.606 -42.226 129.238 1.00 32.54 O ATOM 1170 CB ASP A 131 78.107 -43.069 128.561 1.00 39.27 C ATOM 1171 CG ASP A 131 78.354 -42.977 127.080 1.00 42.03 C ATOM 1172 OD1 ASP A 131 79.157 -42.118 126.660 1.00 42.05 O ATOM 1173 OD2 ASP A 131 77.735 -43.766 126.333 1.00 44.26 O ATOM 1174 HN3 ASP A 131 77.984 -40.587 127.581 1.00 0.00 H ATOM 1175 HN2 ASP A 131 77.661 -39.777 129.039 1.00 0.00 H ATOM 1176 HN1 ASP A 131 76.559 -40.925 128.443 1.00 0.00 H ATOM 1177 N LEU A 132 79.976 -40.113 129.698 1.00 30.65 N ATOM 1178 CA LEU A 132 81.347 -39.642 129.740 1.00 28.71 C ATOM 1179 C LEU A 132 82.075 -40.222 130.953 1.00 24.76 C ATOM 1180 O LEU A 132 81.605 -40.135 132.094 1.00 24.97 O ATOM 1181 CB LEU A 132 81.392 -38.116 129.757 1.00 31.33 C ATOM 1182 CG LEU A 132 80.774 -37.353 128.581 1.00 32.58 C ATOM 1183 CD1 LEU A 132 81.288 -35.923 128.601 1.00 32.58 C ATOM 1184 CD2 LEU A 132 81.062 -38.004 127.236 1.00 33.03 C ATOM 1185 H LEU A 132 79.193 -39.460 129.904 1.00 0.00 H ATOM 1186 N GLY A 133 83.240 -40.811 130.693 1.00 22.69 N ATOM 1187 CA GLY A 133 84.070 -41.391 131.715 1.00 21.89 C ATOM 1188 C GLY A 133 83.700 -42.794 132.136 1.00 21.14 C ATOM 1189 O GLY A 133 84.407 -43.375 132.968 1.00 20.17 O ATOM 1190 H GLY A 133 83.565 -40.854 129.706 1.00 0.00 H ATOM 1191 N THR A 134 82.637 -43.372 131.573 1.00 22.49 N ATOM 1192 CA THR A 134 82.113 -44.653 132.039 1.00 25.08 C ATOM 1193 C THR A 134 82.154 -45.737 130.966 1.00 27.06 C ATOM 1194 O THR A 134 81.391 -46.707 131.044 1.00 29.08 O ATOM 1195 CB THR A 134 80.699 -44.487 132.613 1.00 25.93 C ATOM 1196 OG1 THR A 134 79.823 -43.961 131.612 1.00 27.77 O ATOM 1197 CG2 THR A 134 80.718 -43.542 133.807 1.00 25.92 C ATOM 1198 HG1 THR A 134 80.159 -43.079 131.312 1.00 0.00 H ATOM 1199 H THR A 134 82.167 -42.895 130.777 1.00 0.00 H ATOM 1200 N ILE A 135 83.039 -45.601 129.980 1.00 27.13 N ATOM 1201 CA ILE A 135 83.327 -46.672 129.028 1.00 28.67 C ATOM 1202 C ILE A 135 84.833 -46.926 129.039 1.00 27.50 C ATOM 1203 O ILE A 135 85.610 -46.013 129.364 1.00 26.76 O ATOM 1204 CB ILE A 135 82.807 -46.337 127.618 1.00 30.59 C ATOM 1205 CG1 ILE A 135 83.440 -45.044 127.086 1.00 31.50 C ATOM 1206 CG2 ILE A 135 81.295 -46.220 127.627 1.00 31.44 C ATOM 1207 CD1 ILE A 135 83.211 -44.792 125.600 1.00 32.77 C ATOM 1208 H ILE A 135 83.545 -44.697 129.884 1.00 0.00 H ATOM 1209 N PRO A 136 85.294 -48.142 128.725 1.00 27.34 N ATOM 1210 CA PRO A 136 86.738 -48.419 128.806 1.00 26.89 C ATOM 1211 C PRO A 136 87.578 -47.481 127.967 1.00 24.72 C ATOM 1212 O PRO A 136 88.705 -47.137 128.350 1.00 24.46 O ATOM 1213 CB PRO A 136 86.852 -49.861 128.288 1.00 28.19 C ATOM 1214 CG PRO A 136 85.536 -50.448 128.496 1.00 29.12 C ATOM 1215 CD PRO A 136 84.521 -49.345 128.376 1.00 28.59 C ATOM 1216 N GLY A 137 87.062 -47.068 126.816 1.00 22.26 N ATOM 1217 CA GLY A 137 87.832 -46.260 125.899 1.00 19.58 C ATOM 1218 C GLY A 137 88.146 -44.885 126.402 1.00 16.90 C ATOM 1219 O GLY A 137 88.997 -44.220 125.811 1.00 16.32 O ATOM 1220 H GLY A 137 86.086 -47.331 126.570 1.00 0.00 H ATOM 1221 N ASP A 138 87.485 -44.433 127.469 1.00 16.14 N ATOM 1222 CA ASP A 138 87.747 -43.095 127.987 1.00 15.07 C ATOM 1223 C ASP A 138 88.955 -43.044 128.928 1.00 12.62 C ATOM 1224 O ASP A 138 89.404 -41.949 129.284 1.00 13.24 O ATOM 1225 CB ASP A 138 86.512 -42.534 128.718 1.00 16.39 C ATOM 1226 CG ASP A 138 85.334 -42.196 127.782 1.00 18.26 C ATOM 1227 OD1 ASP A 138 85.473 -42.229 126.545 1.00 19.16 O ATOM 1228 OD2 ASP A 138 84.253 -41.863 128.309 1.00 19.70 O ATOM 1229 H ASP A 138 86.779 -45.038 127.934 1.00 0.00 H ATOM 1230 N CYS A 139 89.491 -44.180 129.367 1.00 13.50 N ATOM 1231 CA CYS A 139 90.631 -44.115 130.265 1.00 13.24 C ATOM 1232 C CYS A 139 91.859 -43.530 129.572 1.00 12.48 C ATOM 1233 O CYS A 139 92.070 -43.696 128.368 1.00 12.84 O ATOM 1234 CB CYS A 139 90.927 -45.471 130.914 1.00 15.05 C ATOM 1235 SG CYS A 139 89.930 -45.745 132.401 1.00 15.78 S ATOM 1236 H CYS A 139 89.101 -45.098 129.073 1.00 0.00 H ATOM 1237 N GLY A 140 92.650 -42.809 130.360 1.00 11.26 N ATOM 1238 CA GLY A 140 93.807 -42.078 129.905 1.00 11.72 C ATOM 1239 C GLY A 140 93.534 -40.627 129.584 1.00 10.94 C ATOM 1240 O GLY A 140 94.480 -39.852 129.421 1.00 11.93 O ATOM 1241 H GLY A 140 92.419 -42.769 131.373 1.00 0.00 H ATOM 1242 N ALA A 141 92.274 -40.235 129.485 1.00 10.98 N ATOM 1243 CA ALA A 141 91.962 -38.848 129.191 1.00 10.90 C ATOM 1244 C ALA A 141 92.517 -37.933 130.285 1.00 10.78 C ATOM 1245 O ALA A 141 92.419 -38.243 131.486 1.00 10.33 O ATOM 1246 CB ALA A 141 90.452 -38.668 129.088 1.00 11.72 C ATOM 1247 H ALA A 141 91.505 -40.922 129.618 1.00 0.00 H ATOM 1248 N PRO A 142 93.090 -36.793 129.934 1.00 10.59 N ATOM 1249 CA PRO A 142 93.732 -35.949 130.939 1.00 9.76 C ATOM 1250 C PRO A 142 92.739 -35.112 131.726 1.00 9.56 C ATOM 1251 O PRO A 142 91.729 -34.647 131.207 1.00 10.28 O ATOM 1252 CB PRO A 142 94.627 -35.038 130.095 1.00 10.96 C ATOM 1253 CG PRO A 142 93.820 -34.879 128.847 1.00 11.13 C ATOM 1254 CD PRO A 142 93.256 -36.239 128.575 1.00 10.82 C ATOM 1255 N TYR A 143 93.099 -34.871 132.982 1.00 9.13 N ATOM 1256 CA TYR A 143 92.407 -33.928 133.860 1.00 9.86 C ATOM 1257 C TYR A 143 93.205 -32.629 133.843 1.00 9.51 C ATOM 1258 O TYR A 143 94.393 -32.628 134.179 1.00 10.97 O ATOM 1259 CB TYR A 143 92.343 -34.454 135.298 1.00 9.40 C ATOM 1260 CG TYR A 143 91.343 -35.553 135.544 1.00 9.36 C ATOM 1261 CD1 TYR A 143 91.230 -36.653 134.716 1.00 9.31 C ATOM 1262 CD2 TYR A 143 90.491 -35.485 136.640 1.00 9.56 C ATOM 1263 CE1 TYR A 143 90.317 -37.664 134.976 1.00 9.17 C ATOM 1264 CE2 TYR A 143 89.577 -36.476 136.898 1.00 9.96 C ATOM 1265 CZ TYR A 143 89.478 -37.564 136.071 1.00 10.23 C ATOM 1266 OH TYR A 143 88.553 -38.535 136.363 1.00 11.16 O ATOM 1267 HH TYR A 143 88.601 -39.250 135.680 1.00 0.00 H ATOM 1268 H TYR A 143 93.920 -35.383 133.363 1.00 0.00 H ATOM 1269 N VAL A 144 92.562 -31.535 133.434 1.00 10.29 N ATOM 1270 CA VAL A 144 93.226 -30.244 133.303 1.00 11.34 C ATOM 1271 C VAL A 144 92.438 -29.161 134.033 1.00 11.70 C ATOM 1272 O VAL A 144 91.233 -29.273 134.277 1.00 13.04 O ATOM 1273 CB VAL A 144 93.448 -29.838 131.828 1.00 11.61 C ATOM 1274 CG1 VAL A 144 94.261 -30.886 131.076 1.00 11.66 C ATOM 1275 CG2 VAL A 144 92.122 -29.587 131.128 1.00 12.20 C ATOM 1276 H VAL A 144 91.551 -31.605 133.200 1.00 0.00 H ATOM 1277 N HIS A 145 93.141 -28.079 134.366 1.00 12.75 N ATOM 1278 CA HIS A 145 92.486 -26.897 134.916 1.00 14.09 C ATOM 1279 C HIS A 145 93.292 -25.666 134.529 1.00 15.04 C ATOM 1280 O HIS A 145 94.497 -25.743 134.275 1.00 15.47 O ATOM 1281 CB HIS A 145 92.272 -26.988 136.439 1.00 14.57 C ATOM 1282 CG HIS A 145 93.526 -27.096 137.247 1.00 15.43 C ATOM 1283 ND1 HIS A 145 94.073 -26.028 137.926 1.00 16.71 N ATOM 1284 CD2 HIS A 145 94.304 -28.162 137.544 1.00 14.82 C ATOM 1285 CE1 HIS A 145 95.156 -26.427 138.570 1.00 17.18 C ATOM 1286 NE2 HIS A 145 95.323 -27.717 138.351 1.00 16.65 N ATOM 1287 H HIS A 145 94.172 -28.077 134.232 1.00 0.00 H ATOM 1288 N LYS A 146 92.627 -24.521 134.509 1.00 17.84 N ATOM 1289 CA LYS A 146 93.273 -23.294 134.071 1.00 21.11 C ATOM 1290 C LYS A 146 93.713 -22.494 135.280 1.00 23.83 C ATOM 1291 O LYS A 146 92.913 -22.230 136.186 1.00 24.69 O ATOM 1292 CB LYS A 146 92.361 -22.440 133.190 1.00 22.65 C ATOM 1293 CG LYS A 146 93.118 -21.327 132.482 1.00 24.94 C ATOM 1294 CD LYS A 146 92.220 -20.548 131.543 1.00 26.05 C ATOM 1295 H LYS A 146 91.632 -24.499 134.810 1.00 0.00 H ATOM 1296 N ARG A 147 94.981 -22.097 135.274 1.00 27.24 N ATOM 1297 CA ARG A 147 95.585 -21.307 136.340 1.00 30.66 C ATOM 1298 C ARG A 147 96.119 -20.033 135.700 1.00 32.98 C ATOM 1299 O ARG A 147 97.121 -20.068 134.977 1.00 33.26 O ATOM 1300 CB ARG A 147 96.703 -22.108 136.999 1.00 32.65 C ATOM 1301 CG ARG A 147 97.616 -21.312 137.904 1.00 34.74 C ATOM 1302 CD ARG A 147 98.771 -22.176 138.348 1.00 36.70 C ATOM 1303 NE ARG A 147 98.318 -23.288 139.172 1.00 37.43 N ATOM 1304 CZ ARG A 147 99.022 -24.393 139.397 1.00 38.01 C ATOM 1305 NH1 ARG A 147 98.522 -25.345 140.169 1.00 38.32 N ATOM 1306 NH2 ARG A 147 100.223 -24.549 138.857 1.00 37.87 N ATOM 1307 HE ARG A 147 97.380 -23.213 139.615 1.00 0.00 H ATOM 1308 HH12 ARG A 147 99.070 -26.211 140.347 1.00 0.00 H ATOM 1309 HH11 ARG A 147 97.582 -25.227 140.597 1.00 0.00 H ATOM 1310 HH22 ARG A 147 100.766 -25.417 139.039 1.00 0.00 H ATOM 1311 HH21 ARG A 147 100.622 -23.803 138.252 1.00 0.00 H ATOM 1312 H ARG A 147 95.576 -22.365 134.464 1.00 0.00 H ATOM 1313 N GLY A 148 95.451 -18.916 135.958 1.00 34.58 N ATOM 1314 CA GLY A 148 95.757 -17.703 135.221 1.00 35.85 C ATOM 1315 C GLY A 148 95.435 -17.910 133.756 1.00 36.75 C ATOM 1316 O GLY A 148 94.349 -18.375 133.395 1.00 37.12 O ATOM 1317 H GLY A 148 94.709 -18.909 136.687 1.00 0.00 H ATOM 1318 N ASN A 149 96.389 -17.574 132.893 1.00 37.40 N ATOM 1319 CA ASN A 149 96.242 -17.783 131.460 1.00 38.19 C ATOM 1320 C ASN A 149 96.846 -19.100 131.001 1.00 37.39 C ATOM 1321 O ASN A 149 96.976 -19.318 129.793 1.00 38.42 O ATOM 1322 CB ASN A 149 96.881 -16.628 130.686 1.00 39.83 C ATOM 1323 CG ASN A 149 96.212 -15.298 130.968 1.00 41.39 C ATOM 1324 OD1 ASN A 149 95.064 -15.241 131.416 1.00 42.35 O ATOM 1325 ND2 ASN A 149 96.928 -14.220 130.704 1.00 41.57 N ATOM 1326 HD22 ASN A 149 97.892 -14.316 130.327 1.00 0.00 H ATOM 1327 HD21 ASN A 149 96.527 -13.275 130.873 1.00 0.00 H ATOM 1328 H ASN A 149 97.267 -17.149 133.253 1.00 0.00 H ATOM 1329 N ASP A 150 97.207 -19.980 131.933 1.00 35.48 N ATOM 1330 CA ASP A 150 97.897 -21.223 131.624 1.00 33.38 C ATOM 1331 C ASP A 150 97.041 -22.412 132.028 1.00 29.22 C ATOM 1332 O ASP A 150 96.340 -22.375 133.041 1.00 30.52 O ATOM 1333 CB ASP A 150 99.214 -21.311 132.392 1.00 36.56 C ATOM 1334 CG ASP A 150 100.198 -20.246 131.982 1.00 39.73 C ATOM 1335 OD1 ASP A 150 100.386 -20.038 130.763 1.00 40.68 O ATOM 1336 OD2 ASP A 150 100.779 -19.612 132.885 1.00 41.21 O ATOM 1337 H ASP A 150 96.986 -19.769 132.927 1.00 0.00 H ATOM 1338 N TRP A 151 97.120 -23.476 131.246 1.00 24.68 N ATOM 1339 CA TRP A 151 96.479 -24.729 131.594 1.00 21.25 C ATOM 1340 C TRP A 151 97.499 -25.651 132.242 1.00 18.72 C ATOM 1341 O TRP A 151 98.678 -25.657 131.870 1.00 19.68 O ATOM 1342 CB TRP A 151 95.877 -25.364 130.346 1.00 21.52 C ATOM 1343 CG TRP A 151 94.675 -24.625 129.895 1.00 21.72 C ATOM 1344 CD1 TRP A 151 94.635 -23.542 129.056 1.00 23.64 C ATOM 1345 CD2 TRP A 151 93.323 -24.893 130.271 1.00 21.78 C ATOM 1346 NE1 TRP A 151 93.335 -23.126 128.893 1.00 24.04 N ATOM 1347 CE2 TRP A 151 92.511 -23.937 129.627 1.00 23.01 C ATOM 1348 CE3 TRP A 151 92.719 -25.850 131.093 1.00 20.92 C ATOM 1349 CZ2 TRP A 151 91.126 -23.920 129.767 1.00 22.62 C ATOM 1350 CZ3 TRP A 151 91.338 -25.827 131.231 1.00 22.02 C ATOM 1351 CH2 TRP A 151 90.561 -24.863 130.578 1.00 22.58 C ATOM 1352 HE1 TRP A 151 93.027 -22.324 128.307 1.00 0.00 H ATOM 1353 H TRP A 151 97.657 -23.412 130.357 1.00 0.00 H ATOM 1354 N VAL A 152 97.037 -26.395 133.237 1.00 16.42 N ATOM 1355 CA VAL A 152 97.836 -27.343 133.996 1.00 15.50 C ATOM 1356 C VAL A 152 97.191 -28.702 133.807 1.00 13.82 C ATOM 1357 O VAL A 152 95.960 -28.806 133.793 1.00 14.54 O ATOM 1358 CB VAL A 152 97.826 -26.945 135.490 1.00 16.99 C ATOM 1359 CG1 VAL A 152 98.536 -27.980 136.353 1.00 17.48 C ATOM 1360 CG2 VAL A 152 98.472 -25.579 135.685 1.00 19.03 C ATOM 1361 H VAL A 152 96.034 -26.294 133.492 1.00 0.00 H ATOM 1362 N VAL A 153 98.005 -29.743 133.638 1.00 12.13 N ATOM 1363 CA VAL A 153 97.498 -31.108 133.628 1.00 11.63 C ATOM 1364 C VAL A 153 97.899 -31.751 134.942 1.00 11.22 C ATOM 1365 O VAL A 153 99.024 -31.560 135.425 1.00 12.96 O ATOM 1366 CB VAL A 153 97.962 -31.917 132.394 1.00 11.63 C ATOM 1367 CG1 VAL A 153 99.475 -31.992 132.305 1.00 12.36 C ATOM 1368 CG2 VAL A 153 97.357 -33.322 132.398 1.00 11.70 C ATOM 1369 H VAL A 153 99.024 -29.577 133.511 1.00 0.00 H ATOM 1370 N CYS A 154 96.967 -32.496 135.537 1.00 11.77 N ATOM 1371 CA CYS A 154 97.220 -33.019 136.867 1.00 12.34 C ATOM 1372 C CYS A 154 96.817 -34.466 137.071 1.00 11.48 C ATOM 1373 O CYS A 154 97.019 -34.978 138.175 1.00 12.49 O ATOM 1374 CB CYS A 154 96.562 -32.133 137.922 1.00 14.96 C ATOM 1375 SG CYS A 154 94.801 -31.998 137.812 1.00 17.32 S ATOM 1376 H CYS A 154 96.069 -32.700 135.054 1.00 0.00 H ATOM 1377 N GLY A 155 96.345 -35.163 136.045 1.00 10.98 N ATOM 1378 CA GLY A 155 96.027 -36.569 136.203 1.00 10.77 C ATOM 1379 C GLY A 155 95.498 -37.140 134.905 1.00 9.69 C ATOM 1380 O GLY A 155 95.307 -36.422 133.915 1.00 10.07 O ATOM 1381 H GLY A 155 96.203 -34.699 135.125 1.00 0.00 H ATOM 1382 N VAL A 156 95.274 -38.456 134.926 1.00 9.76 N ATOM 1383 CA VAL A 156 94.752 -39.207 133.788 1.00 9.93 C ATOM 1384 C VAL A 156 93.602 -40.096 134.258 1.00 9.60 C ATOM 1385 O VAL A 156 93.662 -40.702 135.331 1.00 10.48 O ATOM 1386 CB VAL A 156 95.866 -40.029 133.093 1.00 11.24 C ATOM 1387 CG1 VAL A 156 96.815 -39.105 132.363 1.00 11.86 C ATOM 1388 CG2 VAL A 156 96.625 -40.855 134.099 1.00 13.17 C ATOM 1389 H VAL A 156 95.483 -38.975 135.802 1.00 0.00 H ATOM 1390 N HIS A 157 92.553 -40.181 133.457 1.00 9.64 N ATOM 1391 CA HIS A 157 91.349 -40.865 133.911 1.00 10.17 C ATOM 1392 C HIS A 157 91.618 -42.349 134.113 1.00 10.61 C ATOM 1393 O HIS A 157 92.091 -43.038 133.195 1.00 11.27 O ATOM 1394 CB HIS A 157 90.238 -40.686 132.877 1.00 9.77 C ATOM 1395 CG HIS A 157 88.904 -41.152 133.348 1.00 10.42 C ATOM 1396 ND1 HIS A 157 88.299 -40.656 134.478 1.00 11.36 N ATOM 1397 CD2 HIS A 157 88.064 -42.078 132.832 1.00 11.73 C ATOM 1398 CE1 HIS A 157 87.130 -41.251 134.623 1.00 12.16 C ATOM 1399 NE2 HIS A 157 86.966 -42.121 133.645 1.00 12.83 N ATOM 1400 H HIS A 157 92.587 -39.761 132.506 1.00 0.00 H ATOM 1401 N ALA A 158 91.271 -42.858 135.295 1.00 10.66 N ATOM 1402 CA ALA A 158 91.551 -44.242 135.618 1.00 12.08 C ATOM 1403 C ALA A 158 90.328 -45.042 136.026 1.00 13.20 C ATOM 1404 O ALA A 158 90.294 -46.240 135.769 1.00 14.31 O ATOM 1405 CB ALA A 158 92.612 -44.328 136.721 1.00 13.33 C ATOM 1406 H ALA A 158 90.793 -42.254 135.994 1.00 0.00 H ATOM 1407 N ALA A 159 89.347 -44.433 136.700 1.00 12.98 N ATOM 1408 CA ALA A 159 88.257 -45.199 137.296 1.00 13.30 C ATOM 1409 C ALA A 159 87.038 -44.309 137.467 1.00 14.26 C ATOM 1410 O ALA A 159 87.129 -43.085 137.522 1.00 13.23 O ATOM 1411 CB ALA A 159 88.676 -45.833 138.630 1.00 14.42 C ATOM 1412 H ALA A 159 89.361 -43.398 136.801 1.00 0.00 H ATOM 1413 N ALA A 160 85.884 -44.956 137.520 1.00 14.63 N ATOM 1414 CA ALA A 160 84.651 -44.255 137.838 1.00 16.24 C ATOM 1415 C ALA A 160 83.639 -45.292 138.284 1.00 18.49 C ATOM 1416 O ALA A 160 83.696 -46.447 137.857 1.00 20.52 O ATOM 1417 CB ALA A 160 84.103 -43.476 136.641 1.00 17.35 C ATOM 1418 H ALA A 160 85.859 -45.979 137.332 1.00 0.00 H ATOM 1419 N THR A 161 82.723 -44.874 139.161 1.00 19.36 N ATOM 1420 CA THR A 161 81.623 -45.733 139.552 1.00 20.85 C ATOM 1421 C THR A 161 80.732 -46.018 138.350 1.00 23.06 C ATOM 1422 O THR A 161 80.826 -45.379 137.297 1.00 23.35 O ATOM 1423 CB THR A 161 80.785 -45.074 140.650 1.00 20.67 C ATOM 1424 OG1 THR A 161 80.340 -43.788 140.210 1.00 20.33 O ATOM 1425 CG2 THR A 161 81.583 -44.901 141.938 1.00 21.30 C ATOM 1426 HG1 THR A 161 79.799 -43.366 140.923 1.00 0.00 H ATOM 1427 H THR A 161 82.800 -43.920 139.569 1.00 0.00 H ATOM 1428 N LYS A 162 79.846 -47.000 138.535 1.00 25.33 N ATOM 1429 CA LYS A 162 78.953 -47.431 137.465 1.00 27.81 C ATOM 1430 C LYS A 162 78.241 -46.236 136.845 1.00 27.87 C ATOM 1431 O LYS A 162 78.131 -46.121 135.617 1.00 28.91 O ATOM 1432 CB LYS A 162 77.931 -48.403 138.066 1.00 30.09 C ATOM 1433 CG LYS A 162 77.150 -49.249 137.073 1.00 32.14 C ATOM 1434 CD LYS A 162 76.042 -50.026 137.775 1.00 33.08 C ATOM 1435 H LYS A 162 79.791 -47.468 139.462 1.00 0.00 H ATOM 1436 N SER A 163 77.758 -45.326 137.697 1.00 26.65 N ATOM 1437 CA SER A 163 76.997 -44.165 137.264 1.00 26.03 C ATOM 1438 C SER A 163 77.876 -43.051 136.723 1.00 25.33 C ATOM 1439 O SER A 163 77.360 -42.119 136.097 1.00 27.34 O ATOM 1440 CB SER A 163 76.248 -43.599 138.471 1.00 25.44 C ATOM 1441 OG SER A 163 77.183 -43.105 139.415 1.00 25.35 O ATOM 1442 HG SER A 163 77.775 -43.842 139.708 1.00 0.00 H ATOM 1443 H SER A 163 77.934 -45.454 138.714 1.00 0.00 H ATOM 1444 N GLY A 164 79.176 -43.093 136.996 1.00 23.20 N ATOM 1445 CA GLY A 164 80.061 -42.014 136.626 1.00 22.01 C ATOM 1446 C GLY A 164 80.060 -40.846 137.587 1.00 20.78 C ATOM 1447 O GLY A 164 80.794 -39.874 137.361 1.00 22.81 O ATOM 1448 H GLY A 164 79.565 -43.923 137.488 1.00 0.00 H ATOM 1449 N ASN A 165 79.284 -40.917 138.667 1.00 18.99 N ATOM 1450 CA ASN A 165 79.172 -39.773 139.570 1.00 18.08 C ATOM 1451 C ASN A 165 80.432 -39.540 140.391 1.00 16.25 C ATOM 1452 O ASN A 165 80.661 -38.417 140.848 1.00 16.83 O ATOM 1453 CB ASN A 165 77.969 -39.945 140.492 1.00 19.21 C ATOM 1454 CG ASN A 165 76.669 -39.597 139.800 1.00 21.51 C ATOM 1455 OD1 ASN A 165 76.645 -38.737 138.913 1.00 23.80 O ATOM 1456 ND2 ASN A 165 75.594 -40.278 140.163 1.00 21.73 N ATOM 1457 HD22 ASN A 165 75.661 -40.993 140.915 1.00 0.00 H ATOM 1458 HD21 ASN A 165 74.682 -40.098 139.696 1.00 0.00 H ATOM 1459 H ASN A 165 78.756 -41.790 138.869 1.00 0.00 H ATOM 1460 N THR A 166 81.234 -40.573 140.623 1.00 14.85 N ATOM 1461 CA THR A 166 82.504 -40.437 141.321 1.00 14.70 C ATOM 1462 C THR A 166 83.575 -40.980 140.400 1.00 13.10 C ATOM 1463 O THR A 166 83.418 -42.072 139.840 1.00 14.15 O ATOM 1464 CB THR A 166 82.504 -41.189 142.647 1.00 17.49 C ATOM 1465 OG1 THR A 166 81.445 -40.691 143.458 1.00 21.28 O ATOM 1466 CG2 THR A 166 83.806 -40.959 143.394 1.00 17.88 C ATOM 1467 HG1 THR A 166 80.582 -40.830 142.993 1.00 0.00 H ATOM 1468 H THR A 166 80.943 -41.515 140.293 1.00 0.00 H ATOM 1469 N VAL A 167 84.637 -40.204 140.212 1.00 11.74 N ATOM 1470 CA VAL A 167 85.725 -40.555 139.316 1.00 11.23 C ATOM 1471 C VAL A 167 87.036 -40.572 140.090 1.00 11.32 C ATOM 1472 O VAL A 167 87.161 -39.996 141.174 1.00 11.45 O ATOM 1473 CB VAL A 167 85.822 -39.586 138.122 1.00 13.11 C ATOM 1474 CG1 VAL A 167 84.554 -39.596 137.300 1.00 14.95 C ATOM 1475 CG2 VAL A 167 86.160 -38.179 138.578 1.00 13.56 C ATOM 1476 H VAL A 167 84.692 -39.304 140.730 1.00 0.00 H ATOM 1477 N VAL A 168 88.045 -41.189 139.480 1.00 11.50 N ATOM 1478 CA VAL A 168 89.409 -41.150 139.996 1.00 11.31 C ATOM 1479 C VAL A 168 90.358 -40.929 138.823 1.00 10.88 C ATOM 1480 O VAL A 168 90.318 -41.666 137.830 1.00 11.41 O ATOM 1481 CB VAL A 168 89.797 -42.459 140.699 1.00 12.70 C ATOM 1482 CG1 VAL A 168 91.253 -42.422 141.151 1.00 14.31 C ATOM 1483 CG2 VAL A 168 88.901 -42.719 141.881 1.00 14.60 C ATOM 1484 H VAL A 168 87.855 -41.717 138.605 1.00 0.00 H ATOM 1485 N CYS A 169 91.239 -39.950 138.952 1.00 10.37 N ATOM 1486 CA CYS A 169 92.392 -39.858 138.060 1.00 10.48 C ATOM 1487 C CYS A 169 93.632 -40.376 138.767 1.00 11.20 C ATOM 1488 O CYS A 169 93.825 -40.139 139.961 1.00 12.06 O ATOM 1489 CB CYS A 169 92.651 -38.437 137.560 1.00 11.25 C ATOM 1490 SG CYS A 169 92.931 -37.198 138.838 1.00 11.98 S ATOM 1491 H CYS A 169 91.109 -39.237 139.698 1.00 0.00 H ATOM 1492 N ALA A 170 94.469 -41.089 138.024 1.00 11.11 N ATOM 1493 CA ALA A 170 95.793 -41.402 138.522 1.00 11.37 C ATOM 1494 C ALA A 170 96.650 -40.157 138.455 1.00 11.52 C ATOM 1495 O ALA A 170 96.504 -39.344 137.533 1.00 11.40 O ATOM 1496 CB ALA A 170 96.414 -42.516 137.702 1.00 12.39 C ATOM 1497 H ALA A 170 94.175 -41.423 137.084 1.00 0.00 H ATOM 1498 N VAL A 171 97.540 -40.003 139.441 1.00 12.01 N ATOM 1499 CA VAL A 171 98.409 -38.844 139.534 1.00 13.38 C ATOM 1500 C VAL A 171 99.845 -39.313 139.689 1.00 14.85 C ATOM 1501 O VAL A 171 100.120 -40.409 140.190 1.00 16.63 O ATOM 1502 CB VAL A 171 98.012 -37.890 140.673 1.00 13.74 C ATOM 1503 CG1 VAL A 171 96.572 -37.447 140.529 1.00 12.97 C ATOM 1504 CG2 VAL A 171 98.227 -38.539 142.016 1.00 15.33 C ATOM 1505 H VAL A 171 97.612 -40.742 140.169 1.00 0.00 H ATOM 1506 N GLN A 172 100.764 -38.470 139.240 1.00 15.62 N ATOM 1507 CA GLN A 172 102.180 -38.803 139.224 1.00 19.33 C ATOM 1508 C GLN A 172 102.819 -38.496 140.568 1.00 23.68 C ATOM 1509 O GLN A 172 102.786 -37.354 141.027 1.00 26.83 O ATOM 1510 CB GLN A 172 102.883 -37.993 138.144 1.00 21.76 C ATOM 1511 CG GLN A 172 104.390 -38.212 138.085 1.00 23.64 C ATOM 1512 CD GLN A 172 105.022 -37.371 137.001 1.00 25.53 C ATOM 1513 OE1 GLN A 172 105.140 -36.154 137.137 1.00 27.81 O ATOM 1514 NE2 GLN A 172 105.406 -38.009 135.906 1.00 24.69 N ATOM 1515 HE22 GLN A 172 105.286 -39.040 135.836 1.00 0.00 H ATOM 1516 HE21 GLN A 172 105.827 -37.479 135.116 1.00 0.00 H ATOM 1517 H GLN A 172 100.463 -37.539 138.887 1.00 0.00 H ATOM 1518 N ALA A 173 103.455 -39.494 141.172 1.00 27.13 N ATOM 1519 CA ALA A 173 104.061 -39.320 142.484 1.00 30.55 C ATOM 1520 C ALA A 173 105.476 -38.771 142.376 1.00 33.14 C ATOM 1521 O ALA A 173 106.106 -38.859 141.330 1.00 34.48 O ATOM 1522 CB ALA A 173 104.066 -40.637 143.237 1.00 31.10 C ATOM 1523 H ALA A 173 103.521 -40.417 140.698 1.00 0.00 H TER 1524 ALA A 173 HETATM 1525 O HOH 1 74.781 -36.460 138.294 1.00 42.52 O HETATM 1526 O HOH 2 79.578 -41.829 144.291 1.00 34.89 O HETATM 1527 O HOH 3 112.443 -38.470 132.163 1.00 53.84 O HETATM 1528 O HOH 4 117.619 -46.332 120.815 1.00 40.49 O HETATM 1529 O HOH 5 112.874 -44.463 133.465 1.00 51.21 O HETATM 1530 O HOH 6 81.045 -39.420 119.751 1.00 39.90 O HETATM 1531 O HOH 7 104.451 -51.787 126.990 1.00 31.82 O HETATM 1532 O HOH 8 109.604 -27.241 119.755 1.00 24.97 O HETATM 1533 O HOH 9 107.357 -34.893 133.709 1.00 33.74 O HETATM 1534 O HOH 10 103.078 -49.559 120.044 1.00 47.90 O HETATM 1535 O HOH 11 76.403 -29.611 139.648 1.00 34.86 O HETATM 1536 O HOH 12 104.149 -26.616 139.755 1.00 38.60 O HETATM 1537 O HOH 13 97.605 -51.937 134.850 1.00 45.83 O HETATM 1538 O HOH 14 81.246 -20.482 126.880 1.00 30.36 O HETATM 1539 O HOH 15 99.004 -55.468 124.963 1.00 56.12 O HETATM 1540 O HOH 16 118.060 -42.082 123.153 1.00 57.53 O HETATM 1541 O HOH 17 101.240 -24.997 132.020 1.00 26.58 O HETATM 1542 O HOH 18 76.640 -36.920 129.937 1.00 32.50 O HETATM 1543 O HOH 19 99.380 -50.205 140.286 1.00 32.51 O HETATM 1544 O HOH 20 92.953 -24.911 142.619 1.00 36.29 O HETATM 1545 O HOH 21 92.813 -23.751 138.470 1.00 36.35 O HETATM 1546 O HOH 22 114.772 -43.122 117.977 1.00 45.41 O HETATM 1547 O HOH 23 94.327 -47.937 119.803 1.00 41.36 O HETATM 1548 O HOH 24 108.162 -26.563 122.039 1.00 34.58 O HETATM 1549 O HOH 25 112.573 -34.346 127.282 1.00 28.37 O HETATM 1550 O HOH 26 97.345 -29.124 139.630 1.00 18.69 O HETATM 1551 O HOH 27 90.263 -39.788 147.294 1.00 37.53 O HETATM 1552 O HOH 28 97.270 -42.751 118.003 1.00 29.17 O HETATM 1553 O HOH 29 113.938 -36.080 125.812 1.00 30.49 O HETATM 1554 O HOH 30 108.761 -42.575 115.391 1.00 22.54 O HETATM 1555 O HOH 31 86.839 -42.329 124.223 1.00 18.20 O HETATM 1556 O HOH 32 83.367 -24.072 141.911 1.00 50.68 O HETATM 1557 O HOH 33 80.719 -32.214 127.361 1.00 41.90 O HETATM 1558 O HOH 34 80.505 -37.786 116.976 1.00 17.29 O HETATM 1559 O HOH 35 86.321 -52.285 134.861 1.00 31.32 O HETATM 1560 O HOH 36 112.024 -48.194 127.506 1.00 37.91 O HETATM 1561 O HOH 37 99.603 -36.144 137.940 1.00 15.85 O HETATM 1562 O HOH 38 99.625 -50.157 137.597 1.00 34.87 O HETATM 1563 O HOH 39 112.177 -33.867 116.343 1.00 42.20 O HETATM 1564 O HOH 40 90.680 -49.014 128.672 1.00 33.99 O HETATM 1565 O HOH 41 85.370 -28.083 133.858 1.00 31.13 O HETATM 1566 O HOH 42 105.818 -53.679 118.542 1.00 39.22 O HETATM 1567 O HOH 43 87.793 -32.760 149.233 1.00 16.20 O HETATM 1568 O HOH 44 99.734 -51.907 130.714 1.00 27.17 O HETATM 1569 O HOH 45 101.841 -42.523 140.709 1.00 28.30 O HETATM 1570 O HOH 46 112.614 -52.048 120.034 1.00 25.58 O HETATM 1571 O HOH 47 71.512 -31.876 129.610 1.00 37.30 O HETATM 1572 O HOH 48 89.218 -24.572 137.393 1.00 48.94 O HETATM 1573 O HOH 49 97.236 -36.075 119.040 1.00 17.43 O HETATM 1574 O HOH 50 93.721 -34.397 139.713 1.00 42.95 O HETATM 1575 O HOH 51 84.435 -43.341 120.519 1.00 26.42 O HETATM 1576 O HOH 52 96.932 -42.337 150.670 1.00 48.45 O HETATM 1577 O HOH 53 92.560 -44.119 150.021 1.00 41.99 O HETATM 1578 O HOH 54 90.391 -53.906 144.989 1.00 44.39 O HETATM 1579 O HOH 55 100.330 -33.761 145.398 1.00 50.62 O HETATM 1580 O HOH 56 102.119 -49.321 140.771 1.00 35.64 O HETATM 1581 O HOH 57 106.532 -29.646 130.141 1.00 43.03 O HETATM 1582 O HOH 58 106.510 -57.510 119.800 1.00 47.75 O HETATM 1583 O HOH 59 101.350 -48.065 137.164 1.00 24.38 O HETATM 1584 O HOH 60 112.434 -41.388 121.238 1.00 17.30 O HETATM 1585 O HOH 61 92.144 -29.564 118.575 1.00 24.58 O HETATM 1586 O HOH 62 88.760 -33.100 116.900 1.00 30.74 O HETATM 1587 O HOH 63 107.933 -25.110 125.953 1.00 44.72 O HETATM 1588 O HOH 64 91.801 -48.982 148.913 1.00 44.44 O HETATM 1589 O HOH 65 106.866 -25.028 117.868 1.00 24.56 O HETATM 1590 O HOH 66 94.243 -34.012 148.655 1.00 20.70 O HETATM 1591 O HOH 67 94.803 -31.740 147.074 1.00 22.92 O HETATM 1592 O HOH 68 102.304 -46.609 119.486 1.00 34.96 O HETATM 1593 O HOH 69 90.001 -38.704 125.681 1.00 21.31 O HETATM 1594 O HOH 70 88.702 -24.574 140.197 1.00 39.97 O HETATM 1595 O HOH 71 98.992 -28.241 118.309 1.00 31.85 O HETATM 1596 O HOH 72 89.905 -25.072 145.824 1.00 53.70 O HETATM 1597 O HOH 73 81.564 -30.117 130.672 1.00 34.41 O HETATM 1598 O HOH 74 78.629 -43.160 142.394 1.00 31.70 O HETATM 1599 O HOH 75 84.601 -29.222 131.528 1.00 25.08 O HETATM 1600 O HOH 76 89.784 -45.076 123.206 1.00 37.18 O HETATM 1601 O HOH 77 78.532 -30.875 128.541 1.00 31.33 O HETATM 1602 O HOH 78 112.713 -46.712 130.790 1.00 33.97 O HETATM 1603 O HOH 79 89.773 -24.630 134.689 1.00 37.03 O HETATM 1604 O HOH 80 77.377 -45.651 140.710 1.00 36.23 O HETATM 1605 O HOH 81 103.520 -32.074 141.587 1.00 44.86 O HETATM 1606 O HOH 82 96.154 -51.904 125.684 1.00 40.16 O HETATM 1607 O HOH 83 82.740 -41.451 117.845 1.00 20.37 O HETATM 1608 O HOH 84 98.353 -47.508 120.504 1.00 31.45 O HETATM 1609 O HOH 85 81.514 -49.916 140.491 1.00 51.32 O HETATM 1610 O HOH 86 109.819 -40.664 131.908 1.00 25.22 O HETATM 1611 O HOH 87 94.193 -39.357 118.363 1.00 18.75 O HETATM 1612 O HOH 88 106.262 -49.028 139.634 1.00 31.73 O HETATM 1613 O HOH 89 98.804 -23.355 128.885 1.00 42.75 O HETATM 1614 O HOH 90 104.662 -31.946 115.397 1.00 29.12 O HETATM 1615 O HOH 91 84.182 -49.901 131.699 1.00 40.46 O HETATM 1616 O HOH 92 114.687 -34.785 118.511 1.00 34.93 O HETATM 1617 O HOH 93 92.535 -20.791 127.352 1.00 50.18 O HETATM 1618 O HOH 94 92.446 -37.120 117.874 1.00 40.47 O HETATM 1619 O HOH 95 93.902 -28.843 148.948 1.00 25.15 O HETATM 1620 O HOH 96 106.275 -53.561 125.696 1.00 33.51 O HETATM 1621 O HOH 97 98.717 -28.290 142.952 1.00 39.15 O HETATM 1622 O HOH 98 110.319 -31.368 125.044 1.00 44.88 O HETATM 1623 O HOH 99 89.482 -39.177 117.760 1.00 37.28 O HETATM 1624 O HOH 100 105.703 -30.331 133.688 1.00 35.51 O HETATM 1625 O HOH 101 114.388 -50.909 121.595 1.00 21.22 O HETATM 1626 O HOH 102 86.592 -27.336 125.080 1.00 39.07 O HETATM 1627 O HOH 103 75.968 -42.275 142.317 1.00 38.41 O HETATM 1628 O HOH 104 104.573 -59.752 122.165 1.00 47.96 O HETATM 1629 O HOH 105 92.374 -26.569 148.579 1.00 25.87 O HETATM 1630 O HOH 106 88.476 -51.010 131.561 1.00 46.58 O HETATM 1631 O HOH 107 80.039 -48.512 141.092 1.00 40.26 O HETATM 1632 O HOH 108 94.961 -14.600 134.329 1.00 39.91 O HETATM 1633 O HOH 109 84.897 -48.054 125.011 1.00 37.39 O HETATM 1634 O HOH 110 99.211 -52.668 141.884 1.00 45.94 O HETATM 1635 O HOH 111 105.214 -40.968 136.285 1.00 32.76 O HETATM 1636 O HOH 112 98.233 -26.237 124.555 1.00 23.99 O HETATM 1637 O HOH 113 87.833 -36.326 149.515 1.00 17.42 O HETATM 1638 O HOH 114 72.998 -40.463 138.614 1.00 41.94 O HETATM 1639 O HOH 115 92.642 -14.636 133.134 1.00 47.16 O HETATM 1640 O HOH 116 83.438 -31.282 119.495 1.00 22.01 O HETATM 1641 O HOH 117 88.285 -26.511 134.056 1.00 47.61 O HETATM 1642 O HOH 118 100.370 -26.087 119.745 1.00 42.53 O HETATM 1643 O HOH 119 101.160 -25.672 122.464 1.00 33.14 O HETATM 1644 O HOH 120 95.840 -24.640 141.650 1.00 36.61 O HETATM 1645 O HOH 121 105.912 -25.338 131.668 1.00 44.23 O HETATM 1646 O HOH 122 94.918 -26.466 117.589 1.00 28.99 O HETATM 1647 O HOH 123 118.885 -44.120 122.808 1.00 49.68 O HETATM 1648 O HOH 124 80.760 -28.665 143.474 1.00 25.62 O HETATM 1649 O HOH 125 106.637 -40.237 115.158 1.00 42.67 O HETATM 1650 O HOH 126 104.174 -41.846 138.788 1.00 43.53 O HETATM 1651 O HOH 127 87.716 -27.211 149.061 1.00 44.84 O HETATM 1652 O HOH 128 86.751 -19.815 126.051 1.00 50.96 O HETATM 1653 O HOH 129 108.788 -44.236 113.065 1.00 43.01 O HETATM 1654 O HOH 130 110.372 -27.693 123.455 1.00 53.35 O HETATM 1655 O HOH 131 101.872 -45.887 143.754 1.00 35.38 O HETATM 1656 O HOH 132 94.268 -42.858 151.802 1.00 48.96 O HETATM 1657 O HOH 133 103.179 -48.335 143.100 1.00 27.52 O HETATM 1658 O HOH 134 90.017 -37.844 115.761 1.00 32.94 O HETATM 1659 O HOH 135 102.444 -51.191 131.176 1.00 45.45 O HETATM 1660 O HOH 136 89.246 -53.319 133.167 1.00 51.36 O HETATM 1661 O HOH 137 98.545 -25.856 127.445 1.00 44.70 O HETATM 1662 O HOH 138 88.482 -26.862 120.247 1.00 40.80 O HETATM 1663 O HOH 139 93.091 -28.198 116.515 1.00 22.03 O HETATM 1664 O HOH 140 103.390 -49.886 136.852 1.00 38.89 O HETATM 1665 O HOH 141 86.052 -44.322 122.761 1.00 36.14 O HETATM 1666 O HOH 142 111.485 -41.320 133.774 1.00 41.40 O HETATM 1667 O HOH 143 82.315 -44.132 118.571 1.00 33.05 O HETATM 1668 O HOH 144 115.475 -37.744 127.135 1.00 37.54 O HETATM 1669 O HOH 145 90.745 -42.186 117.217 1.00 32.98 O HETATM 1670 O HOH 146 114.030 -32.144 127.705 1.00 41.74 O HETATM 1671 O HOH 147 94.577 -23.834 117.309 1.00 41.83 O HETATM 1672 O HOH 148 74.863 -46.593 140.524 1.00 41.80 O HETATM 1673 O HOH 149 100.245 -23.832 118.094 1.00 50.34 O HETATM 1674 O HOH 150 102.934 -43.716 143.051 1.00 31.93 O HETATM 1675 O HOH 151 99.473 -45.849 118.809 1.00 43.29 O HETATM 1676 O HOH 152 97.382 -26.777 116.684 1.00 44.44 O HETATM 1677 O HOH 153 89.639 -28.412 118.442 1.00 33.49 O HETATM 1678 O HOH 154 93.091 -41.021 116.515 1.00 24.27 O HETATM 1679 O HOH 155 106.689 -32.758 132.204 1.00 38.01 O HETATM 1680 O HOH 156 88.267 -30.393 117.129 1.00 32.95 O HETATM 1681 O HOH 157 85.321 -29.658 118.266 1.00 41.19 O HETATM 1682 O HOH 158 86.343 -20.556 123.908 1.00 51.83 O HETATM 1683 O HOH 159 93.911 -24.494 148.035 1.00 30.25 O HETATM 1684 O HOH 160 80.290 -31.218 143.885 1.00 19.28 O HETATM 1685 O HOH 161 93.522 -23.484 145.392 1.00 53.65 O HETATM 1686 O HOH 162 70.832 -31.239 139.377 1.00 46.59 O HETATM 1687 O HOH 163 88.468 -45.911 147.984 1.00 55.35 O HETATM 1688 O HOH 164 99.611 -51.993 120.077 1.00 52.36 O HETATM 1689 O HOH 165 85.961 -27.210 118.798 1.00 45.53 O HETATM 1690 C33 DW A 4 85.195 -48.528 140.821 1.00 0.32 C HETATM 1691 O42 DW A 4 85.801 -49.326 141.463 1.00 -0.38 O HETATM 1692 O34 DW A 4 84.402 -47.518 141.375 1.00 -0.25 O HETATM 1693 C35 DW A 4 84.184 -47.588 142.760 1.00 0.11 C HETATM 1694 C36 DW A 4 85.138 -46.611 143.448 1.00 -0.01 C HETATM 1695 C37 DW A 4 85.799 -46.988 144.605 1.00 -0.06 C HETATM 1696 C38 DW A 4 86.660 -46.100 145.237 1.00 -0.07 C HETATM 1697 C39 DW A 4 86.852 -44.838 144.710 1.00 -0.07 C HETATM 1698 C40 DW A 4 86.184 -44.460 143.553 1.00 -0.07 C HETATM 1699 C41 DW A 4 85.324 -45.346 142.926 1.00 -0.06 C HETATM 1700 H7 DW A 4 84.798 -45.047 142.027 1.00 0.06 H HETATM 1701 H6 DW A 4 86.336 -43.469 143.140 1.00 0.06 H HETATM 1702 H5 DW A 4 87.524 -44.143 145.200 1.00 0.06 H HETATM 1703 H4 DW A 4 87.180 -46.397 146.141 1.00 0.06 H HETATM 1704 H3 DW A 4 85.644 -47.978 145.018 1.00 0.06 H HETATM 1705 H1 DW A 4 84.379 -48.611 143.116 1.00 0.08 H HETATM 1706 H2 DW A 4 83.143 -47.313 142.987 1.00 0.08 H HETATM 1707 N32 DW A 4 85.244 -48.540 139.374 1.00 -0.24 N HETATM 1708 C25 DW A 4 85.987 -49.595 138.726 1.00 0.14 C HETATM 1709 C02 DW A 4 86.775 -48.969 137.569 1.00 0.21 C HETATM 1710 O01 DW A 4 86.535 -47.888 137.133 1.00 -0.39 O HETATM 1711 N03 DW A 4 87.867 -49.771 137.051 1.00 -0.26 N HETATM 1712 C04 DW A 4 88.683 -49.236 135.992 1.00 0.13 C HETATM 1713 C12 DW A 4 87.867 -48.876 134.753 1.00 0.20 C HETATM 1714 N13 DW A 4 88.285 -47.647 134.086 1.00 -0.28 N HETATM 1715 C14 DW A 4 87.622 -47.176 132.874 1.00 0.07 C HETATM 1716 C15 DW A 4 86.847 -45.902 133.203 1.00 -0.01 C HETATM 1717 C16 DW A 4 85.845 -46.111 134.316 1.00 0.04 C HETATM 1718 C17 DW A 4 84.502 -46.658 133.814 1.00 0.18 C HETATM 1719 N18 DW A 4 83.447 -46.861 134.792 1.00 -0.28 N HETATM 1720 C19 DW A 4 82.151 -47.372 134.356 1.00 0.06 C HETATM 1721 C20 DW A 4 82.075 -48.904 134.445 1.00 0.10 C HETATM 1722 N29 DW A 4 82.563 -49.385 135.729 1.00 -0.18 N HETATM 1723 C28 DW A 4 83.812 -49.780 136.048 1.00 0.07 C HETATM 1724 C27 DW A 4 83.896 -50.196 137.427 1.00 0.04 C HETATM 1725 C26 DW A 4 85.083 -50.711 138.225 1.00 0.02 C HETATM 1726 H14 DW A 4 84.706 -51.273 139.092 1.00 0.04 H HETATM 1727 H15 DW A 4 85.674 -51.380 137.583 1.00 0.04 H HETATM 1728 N31 DW A 4 82.643 -50.022 137.828 1.00 -0.23 N HETATM 1729 N30 DW A 4 81.874 -49.553 136.839 1.00 -0.10 N HETATM 1730 H16 DW A 4 84.651 -49.785 135.353 1.00 0.09 H HETATM 1731 H11 DW A 4 82.688 -49.340 133.643 1.00 0.07 H HETATM 1732 H12 DW A 4 81.028 -49.219 134.319 1.00 0.07 H HETATM 1733 H9 DW A 4 81.983 -47.069 133.312 1.00 0.06 H HETATM 1734 H10 DW A 4 81.366 -46.940 134.994 1.00 0.06 H HETATM 1735 H8 DW A 4 83.608 -46.652 135.757 1.00 0.19 H HETATM 1736 O21 DW A 4 84.311 -46.926 132.667 1.00 -0.40 O HETATM 1737 H22 DW A 4 85.667 -45.147 134.814 1.00 0.05 H HETATM 1738 H23 DW A 4 86.267 -46.825 135.039 1.00 0.05 H HETATM 1739 H20 DW A 4 86.310 -45.572 132.301 1.00 0.03 H HETATM 1740 H21 DW A 4 87.561 -45.123 133.511 1.00 0.03 H HETATM 1741 C22 DW A 4 88.680 -46.902 131.817 1.00 0.07 C HETATM 1742 O23 DW A 4 89.369 -48.084 131.498 1.00 -0.39 O HETATM 1743 H26 DW A 4 89.791 -48.424 132.279 1.00 0.21 H HETATM 1744 H24 DW A 4 89.394 -46.159 132.202 1.00 0.06 H HETATM 1745 H25 DW A 4 88.195 -46.509 130.911 1.00 0.06 H HETATM 1746 H19 DW A 4 86.926 -47.944 132.506 1.00 0.06 H HETATM 1747 H18 DW A 4 89.042 -47.116 134.468 1.00 0.19 H HETATM 1748 O24 DW A 4 86.975 -49.553 134.353 1.00 -0.39 O HETATM 1749 C05 DW A 4 89.740 -50.254 135.576 1.00 -0.01 C HETATM 1750 C06 DW A 4 90.784 -50.562 136.665 1.00 -0.04 C HETATM 1751 C11 DW A 4 91.806 -51.427 135.999 1.00 -0.05 C HETATM 1752 C10 DW A 4 92.952 -51.805 136.913 1.00 -0.05 C HETATM 1753 C09 DW A 4 93.622 -50.563 137.540 1.00 -0.05 C HETATM 1754 C08 DW A 4 92.636 -49.466 138.042 1.00 -0.05 C HETATM 1755 C07 DW A 4 91.426 -49.274 137.118 1.00 -0.05 C HETATM 1756 H40 DW A 4 90.671 -48.683 137.657 1.00 0.03 H HETATM 1757 H41 DW A 4 91.757 -48.721 136.226 1.00 0.03 H HETATM 1758 H38 DW A 4 93.179 -48.512 138.110 1.00 0.03 H HETATM 1759 H39 DW A 4 92.272 -49.753 139.040 1.00 0.03 H HETATM 1760 H36 DW A 4 94.279 -50.111 136.782 1.00 0.03 H HETATM 1761 H37 DW A 4 94.226 -50.897 138.397 1.00 0.03 H HETATM 1762 H34 DW A 4 93.703 -52.359 136.331 1.00 0.03 H HETATM 1763 H35 DW A 4 92.567 -52.447 137.719 1.00 0.03 H HETATM 1764 H32 DW A 4 92.213 -50.884 135.133 1.00 0.03 H HETATM 1765 H33 DW A 4 91.314 -52.349 135.655 1.00 0.03 H HETATM 1766 H31 DW A 4 90.325 -51.080 137.520 1.00 0.03 H HETATM 1767 H29 DW A 4 90.267 -49.862 134.694 1.00 0.03 H HETATM 1768 H30 DW A 4 89.230 -51.192 135.312 1.00 0.03 H HETATM 1769 H28 DW A 4 89.181 -48.328 136.364 1.00 0.08 H HETATM 1770 H27 DW A 4 88.050 -50.681 137.423 1.00 0.19 H HETATM 1771 H13 DW A 4 86.694 -50.026 139.450 1.00 0.08 H HETATM 1772 H17 DW A 4 84.776 -47.837 138.838 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1166 1167 1174 1175 1176 CONECT 1174 1166 CONECT 1175 1166 CONECT 1176 1166 CONECT 1690 1691 1692 1707 CONECT 1691 1690 CONECT 1692 1690 1693 CONECT 1693 1692 1694 1705 1706 CONECT 1694 1693 1695 1699 CONECT 1695 1694 1696 1704 CONECT 1696 1695 1697 1703 CONECT 1697 1696 1698 1702 CONECT 1698 1697 1699 1701 CONECT 1699 1694 1698 1700 CONECT 1700 1699 CONECT 1701 1698 CONECT 1702 1697 CONECT 1703 1696 CONECT 1704 1695 CONECT 1705 1693 CONECT 1706 1693 CONECT 1707 1690 1708 1772 CONECT 1708 1707 1709 1725 1771 CONECT 1709 1708 1710 1711 CONECT 1710 1709 CONECT 1711 1709 1712 1770 CONECT 1712 1711 1713 1749 1769 CONECT 1713 1712 1714 1748 CONECT 1714 1713 1715 1747 CONECT 1715 1714 1716 1741 1746 CONECT 1716 1715 1717 1739 1740 CONECT 1717 1716 1718 1737 1738 CONECT 1718 1717 1719 1736 CONECT 1719 1718 1720 1735 CONECT 1720 1719 1721 1733 1734 CONECT 1721 1720 1722 1731 1732 CONECT 1722 1721 1723 1729 CONECT 1723 1722 1724 1730 CONECT 1724 1723 1725 1728 CONECT 1725 1708 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 CONECT 1728 1724 1729 CONECT 1729 1722 1728 CONECT 1730 1723 CONECT 1731 1721 CONECT 1732 1721 CONECT 1733 1720 CONECT 1734 1720 CONECT 1735 1719 CONECT 1736 1718 CONECT 1737 1717 CONECT 1738 1717 CONECT 1739 1716 CONECT 1740 1716 CONECT 1741 1715 1742 1744 1745 CONECT 1742 1741 1743 CONECT 1743 1742 CONECT 1744 1741 CONECT 1745 1741 CONECT 1746 1715 CONECT 1747 1714 CONECT 1748 1713 CONECT 1749 1712 1750 1767 1768 CONECT 1750 1749 1751 1755 1766 CONECT 1751 1750 1752 1764 1765 CONECT 1752 1751 1753 1762 1763 CONECT 1753 1752 1754 1760 1761 CONECT 1754 1753 1755 1758 1759 CONECT 1755 1750 1754 1756 1757 CONECT 1756 1755 CONECT 1757 1755 CONECT 1758 1754 CONECT 1759 1754 CONECT 1760 1753 CONECT 1761 1753 CONECT 1762 1752 CONECT 1763 1752 CONECT 1764 1751 CONECT 1765 1751 CONECT 1766 1750 CONECT 1767 1749 CONECT 1768 1749 CONECT 1769 1712 CONECT 1770 1711 CONECT 1771 1708 CONECT 1772 1707 MASTER 0 0 0 0 0 0 0 0 1770 2 91 14 END
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Structure:
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Related entries of code: 6bid
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3ur9
RCSB PDB
PDBbind
188aa, >3UR9_1|Chains... *
4imq
RCSB PDB
PDBbind
183aa, >4IMQ_1|Chain... at 98%
4imz
RCSB PDB
PDBbind
183aa, >4IMZ_1|Chain... at 98%
4inh
RCSB PDB
PDBbind
185aa, >4INH_1|Chains... at 97%
4xbb
RCSB PDB
PDBbind
188aa, >4XBB_1|Chain... at 100%
4xbd
RCSB PDB
PDBbind
188aa, >4XBD_1|Chains... at 100%
5dg6
RCSB PDB
PDBbind
188aa, >5DG6_1|Chains... at 98%
5dgj
RCSB PDB
PDBbind
188aa, >5DGJ_1|Chain... at 98%
5e0g
RCSB PDB
PDBbind
188aa, >5E0G_1|Chain... at 98%
5e0h
RCSB PDB
PDBbind
188aa, >5E0H_1|Chains... at 98%
5e0j
RCSB PDB
PDBbind
188aa, >5E0J_1|Chain... at 98%
5t6f
RCSB PDB
PDBbind
188aa, >5T6F_1|Chains... at 98%
5t6g
RCSB PDB
PDBbind
188aa, >5T6G_1|Chains... at 98%
5tg1
RCSB PDB
PDBbind
188aa, >5TG1_1|Chain... at 98%
5tg2
RCSB PDB
PDBbind
188aa, >5TG2_1|Chain... at 98%
5wej
RCSB PDB
PDBbind
188aa, >5WEJ_1|Chains... at 98%
6bic
RCSB PDB
PDBbind
188aa, >6BIC_1|Chains... at 98%
6bib
RCSB PDB
PDBbind
188aa, >6BIB_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6bid
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
3C-like protease
Ligand Name
DW4
EC.Number
E.C.3.4.22.66 ;3.6.1.15;2.7.7.48
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
IC50=2.9uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proteins Vol. 87: pp. 579-587
Ligand Properties
Formula
C
2
9
H
4
1
N
7
O
6
Molecular Weight
583.679
Exact Mass
583.312
No. of atoms
83
No. of bonds
86
Polar Surface Area
176.57
LOGP Value
1.75 (
Computed with XLOGP3
)
2.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
OC[C@@H]1CCC(=O)NCCn2nnc(C[C@@H](C(=O)N[C@H](C(=O)N1)CC1CCCCC1)NC(=O)OCc1ccccc1)c2
InChI String
InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/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):
Q83883
Entrez Gene ID
NCBI Entrez Gene ID:
1491970
ASD
Information of known allosteric effects of PDB entries
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