Browse entries in the PDBbind-CN Database
HEADER 6NJZ_COMPLEX COMPND 6NJZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 179 GLY GLU VAL VAL LEU LEU ASP PHE ALA ALA ALA GLY GLY SEQRES 2 A 179 GLU LEU GLY TRP LEU THR HIS PRO TYR GLY LYS GLY TRP SEQRES 3 A 179 ASP LEU MET GLN ASN ILE MET ASN ASP MET PRO ILE TYR SEQRES 4 A 179 MET TYR SER VAL CYS ASN VAL MET SER GLY ASP GLN ASP SEQRES 5 A 179 ASN TRP LEU ARG THR ASN TRP VAL TYR ARG GLY GLU ALA SEQRES 6 A 179 GLU ARG ILE PHE ILE GLU LEU LYS PHE THR VAL ARG ASP SEQRES 7 A 179 CYS ASN SER PHE PRO GLY GLY ALA SER SER CYS LYS GLU SEQRES 8 A 179 THR PHE ASN LEU TYR TYR ALA GLU SER ASP LEU ASP TYR SEQRES 9 A 179 GLY THR ASN PHE GLN LYS ARG LEU PHE THR LYS ILE ASP SEQRES 10 A 179 THR ILE ALA PRO ASP GLU ILE THR VAL SER SER ASP PHE SEQRES 11 A 179 GLU ALA ARG HIS VAL LYS LEU ASN VAL GLU GLU ARG SER SEQRES 12 A 179 VAL GLY PRO LEU THR ARG LYS GLY PHE TYR LEU ALA PHE SEQRES 13 A 179 GLN ASP ILE GLY ALA CYS VAL ALA LEU LEU SER VAL ARG SEQRES 14 A 179 VAL TYR TYR LYS LYS ALA HIS HIS HIS HIS HET TYR A 298 150 SSBOND 1 CYS A 105 CYS A 115 SSBOND 2 CYS A 70 CYS A 188 ATOM 1 N GLY A 27 19.183 -4.887 54.923 1.00 60.22 N ATOM 2 CA GLY A 27 20.608 -4.844 54.654 1.00 64.53 C ATOM 3 C GLY A 27 21.044 -4.847 53.196 1.00 60.71 C ATOM 4 O GLY A 27 22.204 -5.133 52.915 1.00 60.30 O ATOM 5 HN3 GLY A 27 18.780 -5.755 54.515 1.00 0.00 H ATOM 6 HN2 GLY A 27 18.725 -4.057 54.495 1.00 0.00 H ATOM 7 HN1 GLY A 27 19.025 -4.880 55.951 1.00 0.00 H ATOM 8 N GLU A 28 20.142 -4.563 52.261 1.00 55.89 N ATOM 9 CA GLU A 28 20.488 -4.534 50.843 1.00 52.20 C ATOM 10 C GLU A 28 20.726 -3.106 50.361 1.00 50.09 C ATOM 11 O GLU A 28 20.050 -2.174 50.799 1.00 54.48 O ATOM 12 CB GLU A 28 19.381 -5.172 49.997 1.00 55.01 C ATOM 13 CG GLU A 28 19.068 -6.609 50.370 1.00 59.81 C ATOM 14 CD GLU A 28 17.981 -7.230 49.513 1.00 59.79 C ATOM 15 OE1 GLU A 28 17.373 -6.509 48.688 1.00 63.18 O ATOM 16 OE2 GLU A 28 17.759 -8.455 49.652 1.00 61.21 O ATOM 17 H GLU A 28 19.164 -4.356 52.548 1.00 0.00 H ATOM 18 N VAL A 29 21.669 -2.942 49.436 1.00 42.20 N ATOM 19 CA VAL A 29 21.938 -1.649 48.806 1.00 43.31 C ATOM 20 C VAL A 29 21.748 -1.820 47.308 1.00 38.00 C ATOM 21 O VAL A 29 22.392 -2.673 46.694 1.00 37.81 O ATOM 22 CB VAL A 29 23.352 -1.131 49.107 1.00 45.08 C ATOM 23 CG1 VAL A 29 23.648 0.154 48.319 1.00 43.44 C ATOM 24 CG2 VAL A 29 23.485 -0.844 50.573 1.00 47.33 C ATOM 25 H VAL A 29 22.237 -3.765 49.150 1.00 0.00 H ATOM 26 N VAL A 30 20.852 -1.033 46.730 1.00 37.39 N ATOM 27 CA VAL A 30 20.500 -1.180 45.321 1.00 39.62 C ATOM 28 C VAL A 30 21.458 -0.345 44.482 1.00 37.83 C ATOM 29 O VAL A 30 21.635 0.852 44.731 1.00 41.47 O ATOM 30 CB VAL A 30 19.036 -0.770 45.084 1.00 41.66 C ATOM 31 CG1 VAL A 30 18.702 -0.765 43.587 1.00 38.47 C ATOM 32 CG2 VAL A 30 18.112 -1.728 45.848 1.00 44.28 C ATOM 33 H VAL A 30 20.388 -0.293 47.294 1.00 0.00 H ATOM 34 N LEU A 31 22.068 -0.974 43.478 1.00 34.76 N ATOM 35 CA LEU A 31 23.005 -0.288 42.595 1.00 36.76 C ATOM 36 C LEU A 31 22.389 0.103 41.261 1.00 40.73 C ATOM 37 O LEU A 31 22.885 1.029 40.608 1.00 40.50 O ATOM 38 CB LEU A 31 24.227 -1.163 42.320 1.00 35.11 C ATOM 39 CG LEU A 31 25.096 -1.541 43.517 1.00 34.87 C ATOM 40 CD1 LEU A 31 26.128 -2.540 43.088 1.00 37.04 C ATOM 41 CD2 LEU A 31 25.773 -0.327 44.122 1.00 45.61 C ATOM 42 H LEU A 31 21.870 -1.983 43.319 1.00 0.00 H ATOM 43 N LEU A 32 21.326 -0.576 40.845 1.00 36.32 N ATOM 44 CA LEU A 32 20.748 -0.354 39.528 1.00 43.16 C ATOM 45 C LEU A 32 19.309 -0.829 39.613 1.00 36.87 C ATOM 46 O LEU A 32 19.048 -1.894 40.179 1.00 35.12 O ATOM 47 CB LEU A 32 21.546 -1.111 38.466 1.00 39.90 C ATOM 48 CG LEU A 32 21.157 -0.918 37.006 1.00 43.76 C ATOM 49 CD1 LEU A 32 21.399 0.528 36.605 1.00 44.69 C ATOM 50 CD2 LEU A 32 21.939 -1.840 36.115 1.00 38.33 C ATOM 51 H LEU A 32 20.897 -1.283 41.475 1.00 0.00 H ATOM 52 N ASP A 33 18.374 -0.031 39.103 1.00 34.16 N ATOM 53 CA ASP A 33 16.970 -0.431 39.152 1.00 38.36 C ATOM 54 C ASP A 33 16.290 0.146 37.913 1.00 39.35 C ATOM 55 O ASP A 33 15.799 1.279 37.941 1.00 49.62 O ATOM 56 CB ASP A 33 16.308 0.068 40.430 1.00 40.18 C ATOM 57 CG ASP A 33 14.913 -0.494 40.626 1.00 46.06 C ATOM 58 OD1 ASP A 33 14.316 -0.968 39.639 1.00 49.57 O ATOM 59 OD2 ASP A 33 14.375 -0.378 41.749 1.00 48.60 O ATOM 60 H ASP A 33 18.642 0.876 38.670 1.00 0.00 H ATOM 61 N PHE A 34 16.192 -0.675 36.867 1.00 35.78 N ATOM 62 CA PHE A 34 15.680 -0.205 35.584 1.00 36.40 C ATOM 63 C PHE A 34 14.243 0.292 35.709 1.00 43.19 C ATOM 64 O PHE A 34 13.907 1.378 35.224 1.00 50.91 O ATOM 65 CB PHE A 34 15.777 -1.327 34.548 1.00 33.97 C ATOM 66 CG PHE A 34 15.039 -1.044 33.260 1.00 35.28 C ATOM 67 CD1 PHE A 34 15.627 -0.275 32.264 1.00 37.59 C ATOM 68 CD2 PHE A 34 13.759 -1.532 33.050 1.00 42.87 C ATOM 69 CE1 PHE A 34 14.963 -0.010 31.073 1.00 37.54 C ATOM 70 CE2 PHE A 34 13.082 -1.259 31.864 1.00 46.47 C ATOM 71 CZ PHE A 34 13.691 -0.504 30.873 1.00 39.01 C ATOM 72 H PHE A 34 16.486 -1.668 36.967 1.00 0.00 H ATOM 73 N ALA A 35 13.369 -0.507 36.327 1.00 50.66 N ATOM 74 CA ALA A 35 11.949 -0.169 36.335 1.00 49.49 C ATOM 75 C ALA A 35 11.685 1.122 37.102 1.00 53.15 C ATOM 76 O ALA A 35 10.773 1.881 36.756 1.00 59.86 O ATOM 77 CB ALA A 35 11.135 -1.319 36.928 1.00 51.44 C ATOM 78 H ALA A 35 13.700 -1.370 36.803 1.00 0.00 H ATOM 79 N ALA A 36 12.443 1.374 38.165 1.00 50.67 N ATOM 80 CA ALA A 36 12.269 2.591 38.946 1.00 60.45 C ATOM 81 C ALA A 36 12.883 3.824 38.291 1.00 64.59 C ATOM 82 O ALA A 36 12.600 4.944 38.730 1.00 62.03 O ATOM 83 CB ALA A 36 12.874 2.405 40.340 1.00 57.82 C ATOM 84 H ALA A 36 13.174 0.689 38.444 1.00 0.00 H ATOM 85 N ALA A 37 13.730 3.655 37.278 1.00 51.64 N ATOM 86 CA ALA A 37 14.403 4.786 36.655 1.00 55.81 C ATOM 87 C ALA A 37 13.604 5.454 35.547 1.00 63.46 C ATOM 88 O ALA A 37 14.037 6.498 35.044 1.00 54.25 O ATOM 89 CB ALA A 37 15.751 4.337 36.086 1.00 59.75 C ATOM 90 H ALA A 37 13.915 2.695 36.924 1.00 0.00 H ATOM 91 N GLY A 38 12.453 4.898 35.175 1.00 79.99 N ATOM 92 CA GLY A 38 11.601 5.493 34.159 1.00 79.78 C ATOM 93 C GLY A 38 12.228 5.608 32.787 1.00 81.76 C ATOM 94 O GLY A 38 11.913 6.548 32.050 1.00 79.70 O ATOM 95 H GLY A 38 12.154 4.010 35.626 1.00 0.00 H ATOM 96 N GLY A 39 13.101 4.672 32.416 1.00104.78 N ATOM 97 CA GLY A 39 13.713 4.673 31.100 1.00108.74 C ATOM 98 C GLY A 39 14.758 5.740 30.877 1.00 89.64 C ATOM 99 O GLY A 39 15.194 5.938 29.739 1.00 84.73 O ATOM 100 H GLY A 39 13.351 3.919 33.089 1.00 0.00 H ATOM 101 N GLU A 40 15.191 6.414 31.933 1.00 64.90 N ATOM 102 CA GLU A 40 16.155 7.500 31.847 1.00 65.20 C ATOM 103 C GLU A 40 17.589 7.023 32.002 1.00 62.36 C ATOM 104 O GLU A 40 18.508 7.847 31.967 1.00 61.44 O ATOM 105 CB GLU A 40 15.848 8.562 32.908 1.00 71.69 C ATOM 106 CG GLU A 40 14.602 9.402 32.627 1.00 88.27 C ATOM 107 CD GLU A 40 14.742 10.309 31.405 1.00 96.09 C ATOM 108 OE1 GLU A 40 15.427 11.352 31.502 1.00 98.69 O ATOM 109 OE2 GLU A 40 14.154 9.985 30.350 1.00 99.71 O ATOM 110 H GLU A 40 14.823 6.153 32.870 1.00 0.00 H ATOM 111 N LEU A 41 17.807 5.721 32.158 1.00 53.91 N ATOM 112 CA LEU A 41 19.143 5.232 32.455 1.00 45.03 C ATOM 113 C LEU A 41 20.082 5.219 31.259 1.00 46.63 C ATOM 114 O LEU A 41 21.275 4.959 31.444 1.00 51.04 O ATOM 115 CB LEU A 41 19.062 3.810 33.010 1.00 40.30 C ATOM 116 CG LEU A 41 18.353 3.607 34.348 1.00 58.25 C ATOM 117 CD1 LEU A 41 18.468 2.156 34.799 1.00 56.24 C ATOM 118 CD2 LEU A 41 18.921 4.550 35.397 1.00 76.45 C ATOM 119 H LEU A 41 17.018 5.049 32.067 1.00 0.00 H ATOM 120 N GLY A 42 19.588 5.474 30.056 1.00 41.97 N ATOM 121 CA GLY A 42 20.422 5.498 28.868 1.00 42.06 C ATOM 122 C GLY A 42 21.278 4.264 28.649 1.00 40.01 C ATOM 123 O GLY A 42 22.515 4.321 28.667 1.00 39.51 O ATOM 124 H GLY A 42 18.570 5.663 29.960 1.00 0.00 H ATOM 125 N TRP A 43 20.623 3.161 28.309 1.00 37.49 N ATOM 126 CA TRP A 43 21.319 1.934 27.961 1.00 34.84 C ATOM 127 C TRP A 43 21.681 1.980 26.475 1.00 36.50 C ATOM 128 O TRP A 43 21.221 2.839 25.716 1.00 38.59 O ATOM 129 CB TRP A 43 20.467 0.714 28.322 1.00 33.33 C ATOM 130 CG TRP A 43 20.342 0.516 29.807 1.00 32.24 C ATOM 131 CD1 TRP A 43 20.800 1.352 30.776 1.00 32.61 C ATOM 132 CD2 TRP A 43 19.760 -0.601 30.487 1.00 30.89 C ATOM 133 NE1 TRP A 43 20.520 0.847 32.016 1.00 31.60 N ATOM 134 CE2 TRP A 43 19.884 -0.357 31.869 1.00 30.58 C ATOM 135 CE3 TRP A 43 19.125 -1.770 30.064 1.00 30.24 C ATOM 136 CZ2 TRP A 43 19.410 -1.243 32.829 1.00 29.70 C ATOM 137 CZ3 TRP A 43 18.658 -2.650 31.014 1.00 29.39 C ATOM 138 CH2 TRP A 43 18.797 -2.384 32.385 1.00 29.16 C ATOM 139 HE1 TRP A 43 20.752 1.303 32.922 1.00 0.00 H ATOM 140 H TRP A 43 19.583 3.175 28.291 1.00 0.00 H ATOM 141 N LEU A 44 22.559 1.072 26.073 1.00 36.38 N ATOM 142 CA LEU A 44 23.108 1.050 24.726 1.00 37.60 C ATOM 143 C LEU A 44 22.574 -0.171 23.996 1.00 37.66 C ATOM 144 O LEU A 44 22.432 -1.242 24.592 1.00 35.32 O ATOM 145 CB LEU A 44 24.637 1.021 24.767 1.00 39.41 C ATOM 146 CG LEU A 44 25.414 0.960 23.454 1.00 41.69 C ATOM 147 CD1 LEU A 44 26.820 1.514 23.664 1.00 44.32 C ATOM 148 CD2 LEU A 44 25.475 -0.461 22.915 1.00 36.39 C ATOM 149 H LEU A 44 22.868 0.345 26.749 1.00 0.00 H ATOM 150 N THR A 45 22.263 -0.010 22.714 1.00 39.12 N ATOM 151 CA THR A 45 21.786 -1.119 21.894 1.00 43.69 C ATOM 152 C THR A 45 22.732 -1.345 20.723 1.00 45.60 C ATOM 153 O THR A 45 23.306 -0.400 20.172 1.00 46.49 O ATOM 154 CB THR A 45 20.336 -0.917 21.373 1.00 42.94 C ATOM 155 OG1 THR A 45 20.204 0.344 20.703 1.00 44.24 O ATOM 156 CG2 THR A 45 19.328 -1.031 22.511 1.00 46.75 C ATOM 157 HG1 THR A 45 20.421 1.076 21.334 1.00 0.00 H ATOM 158 H THR A 45 22.362 0.932 22.284 1.00 0.00 H ATOM 159 N HIS A 46 22.907 -2.603 20.366 1.00 37.41 N ATOM 160 CA HIS A 46 23.768 -2.958 19.249 1.00 39.25 C ATOM 161 C HIS A 46 23.213 -4.215 18.600 1.00 41.03 C ATOM 162 O HIS A 46 23.116 -5.254 19.259 1.00 40.59 O ATOM 163 CB HIS A 46 25.201 -3.181 19.731 1.00 49.71 C ATOM 164 CG HIS A 46 26.168 -3.492 18.632 1.00 60.02 C ATOM 165 ND1 HIS A 46 26.478 -4.780 18.251 1.00 67.41 N ATOM 166 CD2 HIS A 46 26.903 -2.679 17.838 1.00 70.13 C ATOM 167 CE1 HIS A 46 27.359 -4.746 17.267 1.00 69.99 C ATOM 168 NE2 HIS A 46 27.631 -3.483 16.995 1.00 71.23 N ATOM 169 H HIS A 46 22.420 -3.355 20.894 1.00 0.00 H ATOM 170 N PRO A 47 22.854 -4.180 17.313 1.00 59.07 N ATOM 171 CA PRO A 47 22.856 -2.999 16.440 1.00 75.77 C ATOM 172 C PRO A 47 21.829 -1.957 16.880 1.00 77.24 C ATOM 173 O PRO A 47 20.779 -2.294 17.433 1.00 78.13 O ATOM 174 CB PRO A 47 22.509 -3.580 15.066 1.00 87.63 C ATOM 175 CG PRO A 47 21.724 -4.822 15.379 1.00 87.19 C ATOM 176 CD PRO A 47 22.374 -5.388 16.615 1.00 72.59 C ATOM 177 N TYR A 48 22.154 -0.686 16.665 1.00 93.99 N ATOM 178 CA TYR A 48 21.238 0.389 17.026 1.00106.05 C ATOM 179 C TYR A 48 20.101 0.392 16.008 1.00 95.15 C ATOM 180 O TYR A 48 20.335 0.527 14.802 1.00 95.67 O ATOM 181 CB TYR A 48 21.985 1.719 17.066 1.00124.51 C ATOM 182 CG TYR A 48 21.145 2.903 17.493 1.00119.06 C ATOM 183 CD1 TYR A 48 20.279 2.825 18.581 1.00 99.60 C ATOM 184 CD2 TYR A 48 21.230 4.108 16.809 1.00122.01 C ATOM 185 CE1 TYR A 48 19.508 3.919 18.960 1.00 93.47 C ATOM 186 CE2 TYR A 48 20.472 5.200 17.179 1.00112.09 C ATOM 187 CZ TYR A 48 19.615 5.106 18.251 1.00 93.73 C ATOM 188 OH TYR A 48 18.872 6.213 18.598 1.00 84.37 O ATOM 189 HH TYR A 48 18.306 5.997 19.381 1.00 0.00 H ATOM 190 H TYR A 48 23.072 -0.456 16.234 1.00 0.00 H ATOM 191 N GLY A 49 18.873 0.224 16.495 1.00 78.95 N ATOM 192 CA GLY A 49 17.720 0.085 15.628 1.00 68.85 C ATOM 193 C GLY A 49 17.507 -1.363 15.226 1.00 75.45 C ATOM 194 O GLY A 49 18.471 -2.116 15.059 1.00 56.90 O ATOM 195 H GLY A 49 18.738 0.192 17.526 1.00 0.00 H ATOM 196 N LYS A 50 16.247 -1.777 15.126 1.00103.65 N ATOM 197 CA LYS A 50 15.869 -3.132 14.738 1.00106.47 C ATOM 198 C LYS A 50 16.326 -4.262 15.661 1.00 87.99 C ATOM 199 O LYS A 50 16.113 -5.433 15.328 1.00 91.41 O ATOM 200 CB LYS A 50 16.327 -3.422 13.296 1.00110.58 C ATOM 201 CG LYS A 50 15.583 -2.612 12.228 1.00110.60 C ATOM 202 CD LYS A 50 15.828 -3.138 10.809 1.00119.45 C ATOM 203 CE LYS A 50 17.228 -2.842 10.294 1.00128.18 C ATOM 204 NZ LYS A 50 17.438 -1.388 10.058 1.00136.49 N ATOM 205 HZ1 LYS A 50 16.753 -1.050 9.352 1.00 0.00 H ATOM 206 HZ2 LYS A 50 17.303 -0.870 10.950 1.00 0.00 H ATOM 207 HZ3 LYS A 50 18.405 -1.231 9.708 1.00 0.00 H ATOM 208 H LYS A 50 15.489 -1.097 15.336 1.00 0.00 H ATOM 209 N GLY A 51 16.943 -3.950 16.803 1.00 50.79 N ATOM 210 CA GLY A 51 17.195 -4.989 17.791 1.00 38.03 C ATOM 211 C GLY A 51 16.393 -4.663 19.046 1.00 39.82 C ATOM 212 O GLY A 51 15.202 -4.351 18.934 1.00 38.96 O ATOM 213 H GLY A 51 17.242 -2.971 16.986 1.00 0.00 H ATOM 214 N TRP A 52 16.995 -4.648 20.226 1.00 33.85 N ATOM 215 CA TRP A 52 16.231 -4.276 21.409 1.00 33.57 C ATOM 216 C TRP A 52 15.741 -2.830 21.312 1.00 37.04 C ATOM 217 O TRP A 52 16.482 -1.948 20.877 1.00 35.16 O ATOM 218 CB TRP A 52 17.092 -4.416 22.645 1.00 31.24 C ATOM 219 CG TRP A 52 17.624 -5.752 23.012 1.00 34.87 C ATOM 220 CD1 TRP A 52 18.826 -6.312 22.650 1.00 29.77 C ATOM 221 CD2 TRP A 52 17.000 -6.674 23.895 1.00 31.00 C ATOM 222 NE1 TRP A 52 18.978 -7.535 23.264 1.00 29.36 N ATOM 223 CE2 TRP A 52 17.864 -7.782 24.027 1.00 34.11 C ATOM 224 CE3 TRP A 52 15.784 -6.675 24.588 1.00 33.87 C ATOM 225 CZ2 TRP A 52 17.550 -8.875 24.824 1.00 31.24 C ATOM 226 CZ3 TRP A 52 15.473 -7.755 25.373 1.00 29.85 C ATOM 227 CH2 TRP A 52 16.347 -8.847 25.481 1.00 33.48 C ATOM 228 HE1 TRP A 52 19.799 -8.166 23.166 1.00 0.00 H ATOM 229 H TRP A 52 18.001 -4.899 20.307 1.00 0.00 H ATOM 230 N ASP A 53 14.504 -2.565 21.760 1.00 34.29 N ATOM 231 CA ASP A 53 13.930 -1.221 21.709 1.00 38.13 C ATOM 232 C ASP A 53 13.316 -0.865 23.062 1.00 34.99 C ATOM 233 O ASP A 53 12.702 -1.714 23.712 1.00 33.84 O ATOM 234 CB ASP A 53 12.880 -1.129 20.570 1.00 46.87 C ATOM 235 CG ASP A 53 13.503 -1.253 19.160 1.00 56.21 C ATOM 236 OD1 ASP A 53 14.506 -0.562 18.869 1.00 55.56 O ATOM 237 OD2 ASP A 53 12.979 -2.037 18.334 1.00 57.44 O ATOM 238 H ASP A 53 13.935 -3.340 22.156 1.00 0.00 H ATOM 239 N LEU A 54 13.492 0.395 23.477 1.00 38.04 N ATOM 240 CA LEU A 54 12.906 0.923 24.707 1.00 40.63 C ATOM 241 C LEU A 54 11.432 1.246 24.490 1.00 37.48 C ATOM 242 O LEU A 54 11.097 2.024 23.595 1.00 39.53 O ATOM 243 CB LEU A 54 13.652 2.186 25.139 1.00 45.82 C ATOM 244 CG LEU A 54 13.180 2.872 26.420 1.00 42.82 C ATOM 245 CD1 LEU A 54 13.383 1.899 27.574 1.00 41.82 C ATOM 246 CD2 LEU A 54 13.940 4.151 26.658 1.00 46.14 C ATOM 247 H LEU A 54 14.075 1.030 22.895 1.00 0.00 H ATOM 248 N MET A 55 10.553 0.657 25.299 1.00 37.48 N ATOM 249 CA MET A 55 9.121 0.835 25.124 1.00 42.68 C ATOM 250 C MET A 55 8.504 1.170 26.476 1.00 38.32 C ATOM 251 O MET A 55 9.085 0.899 27.530 1.00 37.89 O ATOM 252 CB MET A 55 8.419 -0.431 24.595 1.00 41.36 C ATOM 253 CG MET A 55 9.140 -1.199 23.502 1.00 44.61 C ATOM 254 SD MET A 55 9.021 -0.450 21.882 1.00 59.43 S ATOM 255 CE MET A 55 7.329 -0.820 21.379 1.00 57.60 C ATOM 256 H MET A 55 10.899 0.056 26.074 1.00 0.00 H ATOM 257 N GLN A 56 7.297 1.703 26.452 1.00 40.27 N ATOM 258 CA GLN A 56 6.540 1.885 27.680 1.00 40.76 C ATOM 259 C GLN A 56 5.121 1.395 27.443 1.00 41.92 C ATOM 260 O GLN A 56 4.611 1.445 26.322 1.00 43.20 O ATOM 261 CB GLN A 56 6.491 3.329 28.153 1.00 53.43 C ATOM 262 CG GLN A 56 5.571 4.180 27.353 1.00 54.75 C ATOM 263 CD GLN A 56 5.646 5.633 27.744 1.00 62.18 C ATOM 264 OE1 GLN A 56 5.563 5.984 28.924 1.00 58.98 O ATOM 265 NE2 GLN A 56 5.873 6.487 26.757 1.00 58.82 N ATOM 266 HE22 GLN A 56 5.935 6.145 25.777 1.00 0.00 H ATOM 267 HE21 GLN A 56 5.989 7.500 26.962 1.00 0.00 H ATOM 268 H GLN A 56 6.882 1.996 25.544 1.00 0.00 H ATOM 269 N ASN A 57 4.490 0.922 28.511 1.00 41.82 N ATOM 270 CA ASN A 57 3.082 0.547 28.516 1.00 43.31 C ATOM 271 C ASN A 57 2.413 1.330 29.630 1.00 45.04 C ATOM 272 O ASN A 57 2.872 1.269 30.774 1.00 46.62 O ATOM 273 CB ASN A 57 2.913 -0.969 28.726 1.00 41.98 C ATOM 274 CG ASN A 57 1.464 -1.372 29.046 1.00 44.26 C ATOM 275 OD1 ASN A 57 0.809 -0.766 29.893 1.00 47.76 O ATOM 276 ND2 ASN A 57 0.966 -2.397 28.360 1.00 43.85 N ATOM 277 HD22 ASN A 57 1.553 -2.883 27.652 1.00 0.00 H ATOM 278 HD21 ASN A 57 -0.010 -2.712 28.532 1.00 0.00 H ATOM 279 H ASN A 57 5.031 0.813 29.393 1.00 0.00 H ATOM 280 N ILE A 58 1.334 2.058 29.318 1.00 47.58 N ATOM 281 CA ILE A 58 0.721 2.881 30.360 1.00 49.63 C ATOM 282 C ILE A 58 -0.724 2.454 30.593 1.00 51.44 C ATOM 283 O ILE A 58 -1.551 3.256 31.046 1.00 54.03 O ATOM 284 CB ILE A 58 0.773 4.388 30.015 1.00 51.75 C ATOM 285 CG1 ILE A 58 -0.005 4.680 28.728 1.00 53.58 C ATOM 286 CG2 ILE A 58 2.252 4.830 29.920 1.00 50.24 C ATOM 287 CD1 ILE A 58 -0.425 6.142 28.570 1.00 58.37 C ATOM 288 H ILE A 58 0.940 2.039 28.356 1.00 0.00 H ATOM 289 N MET A 59 -1.038 1.192 30.298 1.00 50.40 N ATOM 290 CA MET A 59 -2.397 0.694 30.493 1.00 52.29 C ATOM 291 C MET A 59 -2.719 0.403 31.953 1.00 52.96 C ATOM 292 O MET A 59 -3.892 0.239 32.299 1.00 55.18 O ATOM 293 CB MET A 59 -2.625 -0.567 29.655 1.00 53.29 C ATOM 294 CG MET A 59 -2.592 -0.328 28.142 1.00 55.75 C ATOM 295 SD MET A 59 -3.855 0.812 27.542 1.00 72.38 S ATOM 296 CE MET A 59 -2.858 2.289 27.410 1.00 62.06 C ATOM 297 H MET A 59 -0.306 0.555 29.924 1.00 0.00 H ATOM 298 N ASN A 60 -1.724 0.342 32.809 1.00 55.26 N ATOM 299 CA ASN A 60 -1.914 -0.018 34.199 1.00 55.70 C ATOM 300 C ASN A 60 -1.773 1.213 35.077 1.00 57.88 C ATOM 301 O ASN A 60 -1.479 2.314 34.609 1.00 61.58 O ATOM 302 CB ASN A 60 -0.903 -1.097 34.560 1.00 54.36 C ATOM 303 CG ASN A 60 -0.925 -2.236 33.569 1.00 55.76 C ATOM 304 OD1 ASN A 60 -0.001 -2.404 32.775 1.00 54.56 O ATOM 305 ND2 ASN A 60 -1.997 -3.012 33.591 1.00 58.35 N ATOM 306 HD22 ASN A 60 -2.755 -2.833 34.281 1.00 0.00 H ATOM 307 HD21 ASN A 60 -2.082 -3.801 32.919 1.00 0.00 H ATOM 308 H ASN A 60 -0.763 0.561 32.476 1.00 0.00 H ATOM 309 N ASP A 61 -2.026 1.007 36.367 1.00 66.23 N ATOM 310 CA ASP A 61 -1.908 2.069 37.357 1.00 77.06 C ATOM 311 C ASP A 61 -0.560 2.770 37.243 1.00 74.65 C ATOM 312 O ASP A 61 -0.494 3.990 37.051 1.00 74.82 O ATOM 313 CB ASP A 61 -2.126 1.438 38.735 1.00 89.20 C ATOM 314 CG ASP A 61 -2.111 2.436 39.858 1.00 87.32 C ATOM 315 OD1 ASP A 61 -2.892 3.412 39.817 1.00 86.04 O ATOM 316 OD2 ASP A 61 -1.333 2.203 40.808 1.00 80.46 O ATOM 317 H ASP A 61 -2.317 0.058 36.678 1.00 0.00 H ATOM 318 N MET A 62 0.542 1.987 37.325 1.00 63.01 N ATOM 319 CA MET A 62 1.933 2.410 37.227 1.00 64.33 C ATOM 320 C MET A 62 2.439 2.224 35.808 1.00 54.63 C ATOM 321 O MET A 62 2.207 1.163 35.208 1.00 47.75 O ATOM 322 CB MET A 62 2.808 1.609 38.192 1.00 90.74 C ATOM 323 CG MET A 62 2.341 1.639 39.639 1.00104.56 C ATOM 324 SD MET A 62 2.721 3.201 40.472 1.00 99.49 S ATOM 325 CE MET A 62 4.488 3.345 40.198 1.00105.49 C ATOM 326 H MET A 62 0.377 0.971 37.475 1.00 0.00 H ATOM 327 N PRO A 63 3.104 3.214 35.224 1.00 59.00 N ATOM 328 CA PRO A 63 3.735 2.983 33.922 1.00 51.65 C ATOM 329 C PRO A 63 4.679 1.795 33.985 1.00 45.05 C ATOM 330 O PRO A 63 5.337 1.543 34.998 1.00 48.44 O ATOM 331 CB PRO A 63 4.484 4.293 33.649 1.00 58.96 C ATOM 332 CG PRO A 63 3.686 5.327 34.421 1.00 61.50 C ATOM 333 CD PRO A 63 3.193 4.623 35.654 1.00 64.48 C ATOM 334 N ILE A 64 4.746 1.073 32.876 1.00 42.39 N ATOM 335 CA ILE A 64 5.658 -0.050 32.711 1.00 42.49 C ATOM 336 C ILE A 64 6.665 0.352 31.644 1.00 44.61 C ATOM 337 O ILE A 64 6.300 0.966 30.633 1.00 42.12 O ATOM 338 CB ILE A 64 4.906 -1.334 32.326 1.00 39.50 C ATOM 339 CG1 ILE A 64 3.937 -1.759 33.436 1.00 56.41 C ATOM 340 CG2 ILE A 64 5.851 -2.490 32.072 1.00 45.66 C ATOM 341 CD1 ILE A 64 3.002 -2.884 33.033 1.00 75.46 C ATOM 342 H ILE A 64 4.117 1.320 32.086 1.00 0.00 H ATOM 343 N TYR A 65 7.938 0.107 31.921 1.00 38.05 N ATOM 344 CA TYR A 65 9.020 0.363 30.985 1.00 37.21 C ATOM 345 C TYR A 65 9.672 -0.973 30.670 1.00 36.52 C ATOM 346 O TYR A 65 9.615 -1.911 31.472 1.00 37.13 O ATOM 347 CB TYR A 65 10.027 1.371 31.554 1.00 38.29 C ATOM 348 CG TYR A 65 9.347 2.673 31.936 1.00 44.95 C ATOM 349 CD1 TYR A 65 8.871 3.533 30.959 1.00 45.31 C ATOM 350 CD2 TYR A 65 9.143 3.020 33.267 1.00 48.13 C ATOM 351 CE1 TYR A 65 8.227 4.708 31.289 1.00 52.49 C ATOM 352 CE2 TYR A 65 8.490 4.206 33.608 1.00 47.73 C ATOM 353 CZ TYR A 65 8.045 5.044 32.609 1.00 48.69 C ATOM 354 OH TYR A 65 7.402 6.219 32.907 1.00 62.59 O ATOM 355 HH TYR A 65 7.159 6.683 32.067 1.00 0.00 H ATOM 356 H TYR A 65 8.174 -0.288 32.854 1.00 0.00 H ATOM 357 N MET A 66 10.287 -1.061 29.498 1.00 35.00 N ATOM 358 CA MET A 66 10.862 -2.333 29.095 1.00 37.92 C ATOM 359 C MET A 66 11.830 -2.135 27.942 1.00 36.78 C ATOM 360 O MET A 66 11.724 -1.174 27.181 1.00 34.08 O ATOM 361 CB MET A 66 9.765 -3.305 28.656 1.00 36.16 C ATOM 362 CG MET A 66 9.180 -2.937 27.289 1.00 43.22 C ATOM 363 SD MET A 66 7.591 -3.726 27.016 1.00 44.01 S ATOM 364 CE MET A 66 6.569 -2.776 28.157 1.00 43.98 C ATOM 365 H MET A 66 10.357 -0.231 28.876 1.00 0.00 H ATOM 366 N TYR A 67 12.769 -3.074 27.813 1.00 36.05 N ATOM 367 CA TYR A 67 13.494 -3.304 26.565 1.00 34.25 C ATOM 368 C TYR A 67 12.941 -4.587 25.956 1.00 29.69 C ATOM 369 O TYR A 67 12.869 -5.617 26.633 1.00 33.04 O ATOM 370 CB TYR A 67 15.014 -3.404 26.778 1.00 31.37 C ATOM 371 CG TYR A 67 15.708 -2.052 26.667 1.00 29.51 C ATOM 372 CD1 TYR A 67 15.899 -1.442 25.428 1.00 32.02 C ATOM 373 CD2 TYR A 67 16.124 -1.369 27.797 1.00 29.49 C ATOM 374 CE1 TYR A 67 16.505 -0.201 25.322 1.00 36.02 C ATOM 375 CE2 TYR A 67 16.716 -0.122 27.703 1.00 31.83 C ATOM 376 CZ TYR A 67 16.902 0.454 26.461 1.00 34.80 C ATOM 377 OH TYR A 67 17.502 1.679 26.353 1.00 46.75 O ATOM 378 HH TYR A 67 17.553 1.937 25.399 1.00 0.00 H ATOM 379 H TYR A 67 12.995 -3.668 28.636 1.00 0.00 H ATOM 380 N SER A 68 12.536 -4.538 24.698 1.00 32.57 N ATOM 381 CA SER A 68 11.946 -5.728 24.112 1.00 39.28 C ATOM 382 C SER A 68 12.417 -5.891 22.677 1.00 40.37 C ATOM 383 O SER A 68 12.833 -4.938 22.010 1.00 36.69 O ATOM 384 CB SER A 68 10.414 -5.694 24.154 1.00 38.05 C ATOM 385 OG SER A 68 9.947 -4.681 23.306 1.00 44.62 O ATOM 386 HG SER A 68 8.958 -4.659 23.333 1.00 0.00 H ATOM 387 H SER A 68 12.638 -3.666 24.141 1.00 0.00 H ATOM 388 N VAL A 69 12.332 -7.136 22.217 1.00 40.73 N ATOM 389 CA VAL A 69 12.706 -7.506 20.861 1.00 38.97 C ATOM 390 C VAL A 69 11.884 -8.723 20.471 1.00 41.23 C ATOM 391 O VAL A 69 11.531 -9.552 21.315 1.00 38.57 O ATOM 392 CB VAL A 69 14.229 -7.775 20.761 1.00 37.92 C ATOM 393 CG1 VAL A 69 14.669 -8.934 21.643 1.00 35.87 C ATOM 394 CG2 VAL A 69 14.629 -8.017 19.304 1.00 46.91 C ATOM 395 H VAL A 69 11.982 -7.879 22.856 1.00 0.00 H ATOM 396 N CYS A 70 11.604 -8.847 19.180 1.00 36.60 N ATOM 397 CA CYS A 70 10.780 -9.955 18.714 1.00 43.87 C ATOM 398 C CYS A 70 11.037 -10.233 17.239 1.00 41.09 C ATOM 399 O CYS A 70 10.104 -10.240 16.434 1.00 42.47 O ATOM 400 CB CYS A 70 9.305 -9.636 18.978 1.00 48.56 C ATOM 401 SG CYS A 70 8.131 -10.989 18.741 1.00 44.53 S ATOM 402 H CYS A 70 11.973 -8.152 18.500 1.00 0.00 H ATOM 403 N ASN A 71 12.289 -10.518 16.880 1.00 37.51 N ATOM 404 CA ASN A 71 12.628 -10.848 15.495 1.00 43.59 C ATOM 405 C ASN A 71 12.693 -12.365 15.329 1.00 44.40 C ATOM 406 O ASN A 71 13.755 -12.966 15.170 1.00 50.16 O ATOM 407 CB ASN A 71 13.948 -10.203 15.093 1.00 45.34 C ATOM 408 CG ASN A 71 13.896 -8.699 15.121 1.00 50.57 C ATOM 409 OD1 ASN A 71 12.824 -8.092 15.069 1.00 47.54 O ATOM 410 ND2 ASN A 71 15.065 -8.079 15.184 1.00 48.44 N ATOM 411 HD22 ASN A 71 15.945 -8.632 15.226 1.00 0.00 H ATOM 412 HD21 ASN A 71 15.103 -7.040 15.191 1.00 0.00 H ATOM 413 H ASN A 71 13.040 -10.506 17.599 1.00 0.00 H ATOM 414 N VAL A 72 11.511 -12.983 15.365 1.00 42.83 N ATOM 415 CA VAL A 72 11.438 -14.431 15.524 1.00 51.78 C ATOM 416 C VAL A 72 11.428 -15.196 14.213 1.00 56.77 C ATOM 417 O VAL A 72 11.533 -16.432 14.238 1.00 53.98 O ATOM 418 CB VAL A 72 10.190 -14.813 16.346 1.00 49.09 C ATOM 419 CG1 VAL A 72 10.381 -14.383 17.798 1.00 45.88 C ATOM 420 CG2 VAL A 72 8.932 -14.186 15.739 1.00 50.67 C ATOM 421 H VAL A 72 10.636 -12.428 15.279 1.00 0.00 H ATOM 422 N MET A 73 11.317 -14.509 13.075 1.00 56.70 N ATOM 423 CA MET A 73 11.238 -15.143 11.764 1.00 66.38 C ATOM 424 C MET A 73 12.561 -15.130 11.011 1.00 69.32 C ATOM 425 O MET A 73 12.817 -16.035 10.208 1.00 68.91 O ATOM 426 CB MET A 73 10.187 -14.436 10.898 1.00 70.12 C ATOM 427 CG MET A 73 8.777 -14.428 11.467 1.00 72.14 C ATOM 428 SD MET A 73 8.109 -16.062 11.849 1.00 67.49 S ATOM 429 CE MET A 73 7.916 -16.808 10.230 1.00 69.54 C ATOM 430 H MET A 73 11.285 -13.471 13.125 1.00 0.00 H ATOM 431 N SER A 74 13.392 -14.115 11.240 1.00 66.53 N ATOM 432 CA SER A 74 14.634 -13.932 10.504 1.00 66.16 C ATOM 433 C SER A 74 15.543 -15.146 10.608 1.00 62.45 C ATOM 434 O SER A 74 15.812 -15.807 9.601 1.00 70.05 O ATOM 435 CB SER A 74 15.355 -12.686 11.025 1.00 76.63 C ATOM 436 OG SER A 74 14.494 -11.561 10.989 1.00 91.22 O ATOM 437 HG SER A 74 13.702 -11.735 11.557 1.00 0.00 H ATOM 438 H SER A 74 13.143 -13.424 11.976 1.00 0.00 H ATOM 439 N GLY A 75 16.033 -15.444 11.805 1.00 60.89 N ATOM 440 CA GLY A 75 16.795 -16.654 12.030 1.00 67.09 C ATOM 441 C GLY A 75 18.269 -16.435 12.262 1.00 69.12 C ATOM 442 O GLY A 75 18.975 -17.390 12.610 1.00 68.31 O ATOM 443 H GLY A 75 15.866 -14.794 12.599 1.00 0.00 H ATOM 444 N ASP A 76 18.762 -15.228 12.086 1.00 56.62 N ATOM 445 CA ASP A 76 20.174 -14.934 12.253 1.00 60.69 C ATOM 446 C ASP A 76 20.385 -13.807 13.245 1.00 57.62 C ATOM 447 O ASP A 76 21.218 -12.928 13.049 1.00 52.76 O ATOM 448 CB ASP A 76 20.798 -14.570 10.913 1.00 80.17 C ATOM 449 CG ASP A 76 19.964 -13.538 10.148 1.00 99.13 C ATOM 450 OD1 ASP A 76 18.980 -13.016 10.722 1.00103.58 O ATOM 451 OD2 ASP A 76 20.279 -13.256 8.972 1.00108.21 O ATOM 452 H ASP A 76 18.117 -14.457 11.818 1.00 0.00 H ATOM 453 N GLN A 77 19.672 -13.842 14.365 1.00 53.86 N ATOM 454 CA GLN A 77 19.662 -12.704 15.270 1.00 44.32 C ATOM 455 C GLN A 77 20.788 -12.767 16.285 1.00 38.09 C ATOM 456 O GLN A 77 21.079 -13.827 16.848 1.00 42.54 O ATOM 457 CB GLN A 77 18.325 -12.605 16.000 1.00 40.09 C ATOM 458 CG GLN A 77 17.161 -12.358 15.069 1.00 40.59 C ATOM 459 CD GLN A 77 17.286 -11.047 14.332 1.00 45.31 C ATOM 460 OE1 GLN A 77 17.336 -9.980 14.944 1.00 39.38 O ATOM 461 NE2 GLN A 77 17.296 -11.114 13.011 1.00 55.60 N ATOM 462 HE22 GLN A 77 17.252 -12.039 12.537 1.00 0.00 H ATOM 463 HE21 GLN A 77 17.348 -10.242 12.446 1.00 0.00 H ATOM 464 H GLN A 77 19.116 -14.690 14.597 1.00 0.00 H ATOM 465 N ASP A 78 21.404 -11.603 16.525 1.00 37.79 N ATOM 466 CA ASP A 78 22.467 -11.417 17.503 1.00 36.36 C ATOM 467 C ASP A 78 22.359 -9.974 18.010 1.00 37.70 C ATOM 468 O ASP A 78 23.162 -9.101 17.689 1.00 40.10 O ATOM 469 CB ASP A 78 23.840 -11.704 16.891 1.00 40.55 C ATOM 470 CG ASP A 78 24.936 -11.842 17.933 1.00 41.39 C ATOM 471 OD1 ASP A 78 24.638 -11.911 19.146 1.00 40.60 O ATOM 472 OD2 ASP A 78 26.114 -11.879 17.526 1.00 46.94 O ATOM 473 H ASP A 78 21.102 -10.774 15.975 1.00 0.00 H ATOM 474 N ASN A 79 21.344 -9.708 18.831 1.00 30.84 N ATOM 475 CA ASN A 79 21.037 -8.357 19.286 1.00 34.84 C ATOM 476 C ASN A 79 21.472 -8.144 20.726 1.00 34.39 C ATOM 477 O ASN A 79 21.105 -8.923 21.611 1.00 30.39 O ATOM 478 CB ASN A 79 19.543 -8.086 19.187 1.00 31.54 C ATOM 479 CG ASN A 79 19.022 -8.308 17.814 1.00 36.57 C ATOM 480 OD1 ASN A 79 19.506 -7.711 16.859 1.00 36.26 O ATOM 481 ND2 ASN A 79 18.064 -9.210 17.685 1.00 35.22 N ATOM 482 HD22 ASN A 79 17.685 -9.690 18.526 1.00 0.00 H ATOM 483 HD21 ASN A 79 17.689 -9.439 16.742 1.00 0.00 H ATOM 484 H ASN A 79 20.748 -10.494 19.160 1.00 0.00 H ATOM 485 N TRP A 80 22.206 -7.064 20.966 1.00 32.48 N ATOM 486 CA TRP A 80 22.777 -6.806 22.277 1.00 26.62 C ATOM 487 C TRP A 80 22.244 -5.531 22.919 1.00 29.32 C ATOM 488 O TRP A 80 21.951 -4.537 22.246 1.00 32.44 O ATOM 489 CB TRP A 80 24.294 -6.750 22.167 1.00 29.18 C ATOM 490 CG TRP A 80 24.934 -8.097 21.931 1.00 32.04 C ATOM 491 CD1 TRP A 80 24.992 -8.800 20.760 1.00 33.44 C ATOM 492 CD2 TRP A 80 25.606 -8.895 22.908 1.00 29.62 C ATOM 493 NE1 TRP A 80 25.677 -9.981 20.950 1.00 31.51 N ATOM 494 CE2 TRP A 80 26.052 -10.065 22.264 1.00 30.35 C ATOM 495 CE3 TRP A 80 25.875 -8.731 24.265 1.00 29.61 C ATOM 496 CZ2 TRP A 80 26.755 -11.063 22.937 1.00 34.00 C ATOM 497 CZ3 TRP A 80 26.562 -9.717 24.926 1.00 30.32 C ATOM 498 CH2 TRP A 80 26.988 -10.873 24.268 1.00 31.67 C ATOM 499 HE1 TRP A 80 25.876 -10.691 20.216 1.00 0.00 H ATOM 500 H TRP A 80 22.377 -6.386 20.196 1.00 0.00 H ATOM 501 N LEU A 81 22.150 -5.590 24.251 1.00 28.54 N ATOM 502 CA LEU A 81 21.676 -4.521 25.122 1.00 29.85 C ATOM 503 C LEU A 81 22.649 -4.411 26.287 1.00 34.61 C ATOM 504 O LEU A 81 22.930 -5.417 26.945 1.00 30.45 O ATOM 505 CB LEU A 81 20.271 -4.829 25.644 1.00 27.69 C ATOM 506 CG LEU A 81 19.688 -3.891 26.703 1.00 28.72 C ATOM 507 CD1 LEU A 81 19.465 -2.491 26.071 1.00 35.05 C ATOM 508 CD2 LEU A 81 18.421 -4.477 27.333 1.00 30.73 C ATOM 509 H LEU A 81 22.441 -6.478 24.707 1.00 0.00 H ATOM 510 N ARG A 82 23.189 -3.209 26.524 1.00 30.40 N ATOM 511 CA ARG A 82 24.170 -3.012 27.590 1.00 28.79 C ATOM 512 C ARG A 82 23.727 -1.903 28.535 1.00 29.50 C ATOM 513 O ARG A 82 23.196 -0.879 28.096 1.00 28.24 O ATOM 514 CB ARG A 82 25.559 -2.688 27.018 1.00 30.36 C ATOM 515 CG ARG A 82 26.679 -2.853 28.024 1.00 28.95 C ATOM 516 CD ARG A 82 27.875 -1.991 27.684 1.00 32.69 C ATOM 517 NE ARG A 82 27.490 -0.598 27.824 1.00 34.14 N ATOM 518 CZ ARG A 82 28.183 0.445 27.385 1.00 39.96 C ATOM 519 NH1 ARG A 82 29.334 0.279 26.747 1.00 34.58 N ATOM 520 NH2 ARG A 82 27.694 1.664 27.582 1.00 40.11 N ATOM 521 HE ARG A 82 26.593 -0.400 28.311 1.00 0.00 H ATOM 522 HH12 ARG A 82 29.865 1.107 26.409 1.00 0.00 H ATOM 523 HH11 ARG A 82 29.705 -0.679 26.585 1.00 0.00 H ATOM 524 HH22 ARG A 82 28.220 2.496 27.246 1.00 0.00 H ATOM 525 HH21 ARG A 82 26.785 1.787 28.072 1.00 0.00 H ATOM 526 H ARG A 82 22.905 -2.399 25.938 1.00 0.00 H ATOM 527 N THR A 83 23.910 -2.123 29.836 1.00 25.15 N ATOM 528 CA THR A 83 23.539 -1.098 30.797 1.00 29.35 C ATOM 529 C THR A 83 24.523 0.071 30.722 1.00 28.38 C ATOM 530 O THR A 83 25.553 0.016 30.042 1.00 30.21 O ATOM 531 CB THR A 83 23.532 -1.646 32.226 1.00 29.55 C ATOM 532 OG1 THR A 83 24.874 -2.003 32.589 1.00 27.36 O ATOM 533 CG2 THR A 83 22.617 -2.869 32.350 1.00 28.61 C ATOM 534 HG1 THR A 83 25.453 -1.201 32.539 1.00 0.00 H ATOM 535 H THR A 83 24.316 -3.023 30.162 1.00 0.00 H ATOM 536 N ASN A 84 24.170 1.150 31.409 1.00 29.31 N ATOM 537 CA ASN A 84 25.130 2.177 31.754 1.00 31.99 C ATOM 538 C ASN A 84 26.182 1.573 32.680 1.00 31.02 C ATOM 539 O ASN A 84 26.074 0.424 33.123 1.00 27.72 O ATOM 540 CB ASN A 84 24.430 3.334 32.433 1.00 31.02 C ATOM 541 CG ASN A 84 23.646 2.886 33.635 1.00 36.52 C ATOM 542 OD1 ASN A 84 22.684 2.129 33.516 1.00 36.40 O ATOM 543 ND2 ASN A 84 24.112 3.273 34.815 1.00 39.97 N ATOM 544 HD22 ASN A 84 24.929 3.915 34.866 1.00 0.00 H ATOM 545 HD21 ASN A 84 23.661 2.935 35.689 1.00 0.00 H ATOM 546 H ASN A 84 23.180 1.260 31.707 1.00 0.00 H ATOM 547 N TRP A 85 27.234 2.338 32.932 1.00 28.67 N ATOM 548 CA TRP A 85 28.302 1.887 33.807 1.00 27.43 C ATOM 549 C TRP A 85 27.892 2.083 35.254 1.00 29.77 C ATOM 550 O TRP A 85 27.379 3.143 35.619 1.00 28.87 O ATOM 551 CB TRP A 85 29.571 2.663 33.523 1.00 31.79 C ATOM 552 CG TRP A 85 30.793 2.039 34.075 1.00 31.95 C ATOM 553 CD1 TRP A 85 31.280 0.786 33.824 1.00 40.56 C ATOM 554 CD2 TRP A 85 31.698 2.649 34.975 1.00 32.70 C ATOM 555 NE1 TRP A 85 32.450 0.586 34.518 1.00 37.97 N ATOM 556 CE2 TRP A 85 32.732 1.725 35.225 1.00 32.69 C ATOM 557 CE3 TRP A 85 31.738 3.896 35.598 1.00 37.06 C ATOM 558 CZ2 TRP A 85 33.785 2.007 36.079 1.00 45.85 C ATOM 559 CZ3 TRP A 85 32.789 4.178 36.431 1.00 50.58 C ATOM 560 CH2 TRP A 85 33.796 3.236 36.673 1.00 50.44 C ATOM 561 HE1 TRP A 85 33.023 -0.282 34.508 1.00 0.00 H ATOM 562 H TRP A 85 27.296 3.280 32.495 1.00 0.00 H ATOM 563 N VAL A 86 28.153 1.083 36.085 1.00 27.15 N ATOM 564 CA VAL A 86 27.735 1.106 37.480 1.00 31.73 C ATOM 565 C VAL A 86 28.972 1.052 38.359 1.00 28.21 C ATOM 566 O VAL A 86 29.736 0.083 38.296 1.00 28.51 O ATOM 567 CB VAL A 86 26.796 -0.065 37.816 1.00 32.91 C ATOM 568 CG1 VAL A 86 26.420 -0.005 39.296 1.00 36.46 C ATOM 569 CG2 VAL A 86 25.588 -0.044 36.900 1.00 31.80 C ATOM 570 H VAL A 86 28.673 0.256 35.729 1.00 0.00 H ATOM 571 N TYR A 87 29.145 2.061 39.207 1.00 31.50 N ATOM 572 CA TYR A 87 30.244 2.064 40.165 1.00 37.29 C ATOM 573 C TYR A 87 29.991 1.038 41.265 1.00 38.82 C ATOM 574 O TYR A 87 28.916 1.011 41.867 1.00 35.06 O ATOM 575 CB TYR A 87 30.398 3.460 40.760 1.00 44.84 C ATOM 576 CG TYR A 87 31.644 3.655 41.585 1.00 48.09 C ATOM 577 CD1 TYR A 87 32.878 3.854 40.979 1.00 58.45 C ATOM 578 CD2 TYR A 87 31.585 3.649 42.975 1.00 46.80 C ATOM 579 CE1 TYR A 87 34.024 4.041 41.734 1.00 69.00 C ATOM 580 CE2 TYR A 87 32.727 3.831 43.744 1.00 57.26 C ATOM 581 CZ TYR A 87 33.945 4.028 43.115 1.00 64.48 C ATOM 582 OH TYR A 87 35.086 4.224 43.860 1.00 65.47 O ATOM 583 HH TYR A 87 35.858 4.347 43.253 1.00 0.00 H ATOM 584 H TYR A 87 28.484 2.864 39.187 1.00 0.00 H ATOM 585 N ARG A 88 30.989 0.200 41.543 1.00 31.38 N ATOM 586 CA ARG A 88 30.763 -0.935 42.429 1.00 34.85 C ATOM 587 C ARG A 88 30.815 -0.557 43.904 1.00 36.69 C ATOM 588 O ARG A 88 30.128 -1.186 44.718 1.00 35.17 O ATOM 589 CB ARG A 88 31.814 -2.008 42.134 1.00 40.46 C ATOM 590 CG ARG A 88 32.232 -2.828 43.321 1.00 50.95 C ATOM 591 CD ARG A 88 33.250 -3.861 42.905 1.00 43.58 C ATOM 592 NE ARG A 88 34.600 -3.425 43.232 1.00 36.90 N ATOM 593 CZ ARG A 88 35.175 -3.581 44.421 1.00 44.94 C ATOM 594 NH1 ARG A 88 34.528 -4.177 45.416 1.00 42.23 N ATOM 595 NH2 ARG A 88 36.412 -3.154 44.607 1.00 55.89 N ATOM 596 HE ARG A 88 35.153 -2.959 42.484 1.00 0.00 H ATOM 597 HH12 ARG A 88 34.989 -4.293 46.341 1.00 0.00 H ATOM 598 HH11 ARG A 88 33.560 -4.528 45.270 1.00 0.00 H ATOM 599 HH22 ARG A 88 36.869 -3.272 45.534 1.00 0.00 H ATOM 600 HH21 ARG A 88 36.928 -2.700 43.827 1.00 0.00 H ATOM 601 H ARG A 88 31.930 0.356 41.128 1.00 0.00 H ATOM 602 N GLY A 89 31.584 0.471 44.254 1.00 41.65 N ATOM 603 CA GLY A 89 31.759 0.848 45.648 1.00 45.98 C ATOM 604 C GLY A 89 32.272 -0.316 46.478 1.00 44.00 C ATOM 605 O GLY A 89 33.278 -0.955 46.144 1.00 42.06 O ATOM 606 H GLY A 89 32.071 1.017 43.515 1.00 0.00 H ATOM 607 N GLU A 90 31.549 -0.607 47.563 1.00 41.23 N ATOM 608 CA GLU A 90 31.885 -1.658 48.516 1.00 43.38 C ATOM 609 C GLU A 90 31.337 -3.024 48.122 1.00 39.74 C ATOM 610 O GLU A 90 31.602 -4.010 48.818 1.00 38.81 O ATOM 611 CB GLU A 90 31.347 -1.298 49.905 1.00 64.43 C ATOM 612 CG GLU A 90 31.818 0.042 50.420 1.00 98.71 C ATOM 613 CD GLU A 90 31.325 0.322 51.823 1.00115.81 C ATOM 614 OE1 GLU A 90 30.190 -0.083 52.149 1.00106.89 O ATOM 615 OE2 GLU A 90 32.078 0.940 52.603 1.00125.75 O ATOM 616 H GLU A 90 30.690 -0.047 47.739 1.00 0.00 H ATOM 617 N ALA A 91 30.578 -3.110 47.039 1.00 34.30 N ATOM 618 CA ALA A 91 29.959 -4.373 46.670 1.00 32.76 C ATOM 619 C ALA A 91 31.010 -5.416 46.318 1.00 37.26 C ATOM 620 O ALA A 91 31.953 -5.135 45.572 1.00 34.83 O ATOM 621 CB ALA A 91 29.029 -4.177 45.480 1.00 32.04 C ATOM 622 H ALA A 91 30.424 -2.268 46.449 1.00 0.00 H ATOM 623 N GLU A 92 30.847 -6.621 46.874 1.00 31.24 N ATOM 624 CA GLU A 92 31.645 -7.781 46.489 1.00 31.14 C ATOM 625 C GLU A 92 30.847 -8.782 45.665 1.00 35.35 C ATOM 626 O GLU A 92 31.084 -8.910 44.463 1.00 38.51 O ATOM 627 CB GLU A 92 32.234 -8.428 47.751 1.00 37.67 C ATOM 628 CG GLU A 92 33.249 -7.495 48.432 1.00 47.55 C ATOM 629 CD GLU A 92 33.839 -8.046 49.723 1.00 76.63 C ATOM 630 OE1 GLU A 92 33.702 -9.259 49.996 1.00 86.48 O ATOM 631 OE2 GLU A 92 34.459 -7.256 50.466 1.00 96.09 O ATOM 632 H GLU A 92 30.122 -6.736 47.611 1.00 0.00 H ATOM 633 N ARG A 93 29.808 -9.374 46.221 1.00 30.85 N ATOM 634 CA ARG A 93 28.917 -10.218 45.442 1.00 27.86 C ATOM 635 C ARG A 93 27.735 -9.346 45.052 1.00 30.75 C ATOM 636 O ARG A 93 27.157 -8.676 45.915 1.00 31.86 O ATOM 637 CB ARG A 93 28.453 -11.423 46.260 1.00 28.75 C ATOM 638 CG ARG A 93 27.674 -12.454 45.469 1.00 30.03 C ATOM 639 CD ARG A 93 28.619 -13.511 44.936 1.00 29.69 C ATOM 640 NE ARG A 93 27.930 -14.471 44.089 1.00 29.53 N ATOM 641 CZ ARG A 93 28.536 -15.427 43.395 1.00 29.22 C ATOM 642 NH1 ARG A 93 29.853 -15.580 43.463 1.00 28.80 N ATOM 643 NH2 ARG A 93 27.813 -16.243 42.650 1.00 32.78 N ATOM 644 HE ARG A 93 26.894 -14.405 44.022 1.00 0.00 H ATOM 645 HH12 ARG A 93 30.318 -16.332 42.915 1.00 0.00 H ATOM 646 HH11 ARG A 93 30.420 -14.948 44.064 1.00 0.00 H ATOM 647 HH22 ARG A 93 28.277 -16.995 42.102 1.00 0.00 H ATOM 648 HH21 ARG A 93 26.780 -16.133 42.611 1.00 0.00 H ATOM 649 H ARG A 93 29.623 -9.235 47.235 1.00 0.00 H ATOM 650 N ILE A 94 27.391 -9.314 43.762 1.00 26.37 N ATOM 651 CA ILE A 94 26.207 -8.576 43.323 1.00 26.87 C ATOM 652 C ILE A 94 25.129 -9.578 42.920 1.00 27.36 C ATOM 653 O ILE A 94 25.422 -10.626 42.329 1.00 27.71 O ATOM 654 CB ILE A 94 26.469 -7.580 42.171 1.00 27.28 C ATOM 655 CG1 ILE A 94 27.139 -8.273 40.989 1.00 25.56 C ATOM 656 CG2 ILE A 94 27.253 -6.367 42.685 1.00 33.65 C ATOM 657 CD1 ILE A 94 27.054 -7.475 39.705 1.00 26.08 C ATOM 658 H ILE A 94 27.971 -9.819 43.062 1.00 0.00 H ATOM 659 N PHE A 95 23.880 -9.244 43.236 1.00 29.10 N ATOM 660 CA PHE A 95 22.719 -10.075 42.937 1.00 28.53 C ATOM 661 C PHE A 95 21.945 -9.391 41.827 1.00 31.56 C ATOM 662 O PHE A 95 21.696 -8.183 41.895 1.00 29.95 O ATOM 663 CB PHE A 95 21.860 -10.282 44.194 1.00 28.90 C ATOM 664 CG PHE A 95 22.592 -11.029 45.255 1.00 31.06 C ATOM 665 CD1 PHE A 95 23.508 -10.371 46.054 1.00 34.77 C ATOM 666 CD2 PHE A 95 22.433 -12.398 45.406 1.00 32.93 C ATOM 667 CE1 PHE A 95 24.239 -11.058 46.995 1.00 28.85 C ATOM 668 CE2 PHE A 95 23.161 -13.084 46.352 1.00 33.76 C ATOM 669 CZ PHE A 95 24.059 -12.414 47.147 1.00 29.43 C ATOM 670 H PHE A 95 23.723 -8.339 43.724 1.00 0.00 H ATOM 671 N ILE A 96 21.568 -10.159 40.812 1.00 25.85 N ATOM 672 CA ILE A 96 20.952 -9.618 39.608 1.00 26.09 C ATOM 673 C ILE A 96 19.565 -10.226 39.471 1.00 30.89 C ATOM 674 O ILE A 96 19.446 -11.424 39.204 1.00 28.53 O ATOM 675 CB ILE A 96 21.799 -9.938 38.359 1.00 27.16 C ATOM 676 CG1 ILE A 96 23.212 -9.353 38.479 1.00 27.19 C ATOM 677 CG2 ILE A 96 21.087 -9.479 37.098 1.00 27.20 C ATOM 678 CD1 ILE A 96 24.241 -10.051 37.579 1.00 28.37 C ATOM 679 H ILE A 96 21.718 -11.186 40.879 1.00 0.00 H ATOM 680 N GLU A 97 18.524 -9.400 39.577 1.00 29.73 N ATOM 681 CA GLU A 97 17.153 -9.902 39.513 1.00 29.52 C ATOM 682 C GLU A 97 16.483 -9.403 38.244 1.00 30.52 C ATOM 683 O GLU A 97 16.358 -8.192 38.033 1.00 29.17 O ATOM 684 CB GLU A 97 16.329 -9.480 40.731 1.00 38.46 C ATOM 685 CG GLU A 97 14.885 -10.017 40.719 1.00 40.40 C ATOM 686 CD GLU A 97 13.999 -9.336 41.747 1.00 45.34 C ATOM 687 OE1 GLU A 97 13.806 -8.101 41.652 1.00 41.89 O ATOM 688 OE2 GLU A 97 13.523 -10.041 42.666 1.00 49.93 O ATOM 689 H GLU A 97 18.690 -8.382 39.707 1.00 0.00 H ATOM 690 N LEU A 98 16.026 -10.336 37.420 1.00 30.53 N ATOM 691 CA LEU A 98 15.427 -10.017 36.137 1.00 28.46 C ATOM 692 C LEU A 98 13.959 -10.405 36.140 1.00 34.82 C ATOM 693 O LEU A 98 13.599 -11.476 36.634 1.00 30.89 O ATOM 694 CB LEU A 98 16.130 -10.764 35.010 1.00 26.59 C ATOM 695 CG LEU A 98 17.645 -10.716 34.905 1.00 29.88 C ATOM 696 CD1 LEU A 98 18.120 -11.544 33.732 1.00 33.62 C ATOM 697 CD2 LEU A 98 18.070 -9.284 34.750 1.00 25.81 C ATOM 698 H LEU A 98 16.100 -11.334 37.704 1.00 0.00 H ATOM 699 N LYS A 99 13.110 -9.546 35.588 1.00 30.49 N ATOM 700 CA LYS A 99 11.712 -9.892 35.355 1.00 34.26 C ATOM 701 C LYS A 99 11.412 -9.680 33.878 1.00 37.48 C ATOM 702 O LYS A 99 11.785 -8.648 33.307 1.00 34.12 O ATOM 703 CB LYS A 99 10.770 -9.080 36.247 1.00 32.83 C ATOM 704 CG LYS A 99 11.086 -9.194 37.748 1.00 34.97 C ATOM 705 CD LYS A 99 10.025 -8.522 38.600 1.00 42.52 C ATOM 706 CE LYS A 99 10.320 -8.721 40.077 1.00 45.25 C ATOM 707 NZ LYS A 99 9.264 -8.085 40.893 1.00 50.06 N ATOM 708 HZ1 LYS A 99 9.232 -7.067 40.684 1.00 0.00 H ATOM 709 HZ2 LYS A 99 8.345 -8.516 40.666 1.00 0.00 H ATOM 710 HZ3 LYS A 99 9.475 -8.226 41.902 1.00 0.00 H ATOM 711 H LYS A 99 13.451 -8.602 35.315 1.00 0.00 H ATOM 712 N PHE A 100 10.753 -10.659 33.261 1.00 30.90 N ATOM 713 CA PHE A 100 10.657 -10.697 31.810 1.00 30.73 C ATOM 714 C PHE A 100 9.526 -11.617 31.384 1.00 37.82 C ATOM 715 O PHE A 100 9.070 -12.478 32.143 1.00 32.48 O ATOM 716 CB PHE A 100 11.966 -11.173 31.195 1.00 30.49 C ATOM 717 CG PHE A 100 12.338 -12.568 31.611 1.00 31.51 C ATOM 718 CD1 PHE A 100 12.964 -12.790 32.828 1.00 34.52 C ATOM 719 CD2 PHE A 100 12.041 -13.658 30.802 1.00 32.76 C ATOM 720 CE1 PHE A 100 13.303 -14.069 33.232 1.00 32.09 C ATOM 721 CE2 PHE A 100 12.383 -14.953 31.198 1.00 34.27 C ATOM 722 CZ PHE A 100 13.016 -15.155 32.413 1.00 32.50 C ATOM 723 H PHE A 100 10.301 -11.407 33.824 1.00 0.00 H ATOM 724 N THR A 101 9.061 -11.386 30.161 1.00 31.52 N ATOM 725 CA THR A 101 8.081 -12.228 29.502 1.00 36.08 C ATOM 726 C THR A 101 8.718 -12.837 28.258 1.00 38.38 C ATOM 727 O THR A 101 9.626 -12.256 27.653 1.00 37.91 O ATOM 728 CB THR A 101 6.818 -11.443 29.093 1.00 43.55 C ATOM 729 OG1 THR A 101 7.165 -10.410 28.162 1.00 41.29 O ATOM 730 CG2 THR A 101 6.136 -10.794 30.287 1.00 39.91 C ATOM 731 HG1 THR A 101 7.572 -10.817 27.356 1.00 0.00 H ATOM 732 H THR A 101 9.420 -10.556 29.648 1.00 0.00 H ATOM 733 N VAL A 102 8.244 -14.021 27.890 1.00 38.36 N ATOM 734 CA VAL A 102 8.637 -14.677 26.650 1.00 34.27 C ATOM 735 C VAL A 102 7.377 -15.248 26.021 1.00 37.67 C ATOM 736 O VAL A 102 6.626 -15.968 26.686 1.00 38.33 O ATOM 737 CB VAL A 102 9.668 -15.797 26.878 1.00 37.63 C ATOM 738 CG1 VAL A 102 9.993 -16.469 25.562 1.00 40.68 C ATOM 739 CG2 VAL A 102 10.920 -15.257 27.549 1.00 33.64 C ATOM 740 H VAL A 102 7.563 -14.501 28.513 1.00 0.00 H ATOM 741 N ARG A 103 7.149 -14.940 24.746 1.00 41.67 N ATOM 742 CA ARG A 103 5.978 -15.435 24.037 1.00 42.28 C ATOM 743 C ARG A 103 6.284 -16.812 23.454 1.00 44.14 C ATOM 744 O ARG A 103 7.386 -17.058 22.961 1.00 45.48 O ATOM 745 CB ARG A 103 5.567 -14.485 22.909 1.00 44.89 C ATOM 746 CG ARG A 103 4.949 -13.162 23.356 1.00 43.65 C ATOM 747 CD ARG A 103 4.366 -12.399 22.176 1.00 43.40 C ATOM 748 NE ARG A 103 3.155 -13.026 21.650 1.00 42.78 N ATOM 749 CZ ARG A 103 2.468 -12.556 20.616 1.00 46.32 C ATOM 750 NH1 ARG A 103 2.876 -11.459 19.995 1.00 45.45 N ATOM 751 NH2 ARG A 103 1.379 -13.182 20.193 1.00 48.74 N ATOM 752 HE ARG A 103 2.811 -13.891 22.113 1.00 0.00 H ATOM 753 HH12 ARG A 103 2.339 -11.090 19.185 1.00 0.00 H ATOM 754 HH11 ARG A 103 3.734 -10.967 20.318 1.00 0.00 H ATOM 755 HH22 ARG A 103 0.846 -12.808 19.382 1.00 0.00 H ATOM 756 HH21 ARG A 103 1.058 -14.047 20.672 1.00 0.00 H ATOM 757 H ARG A 103 7.825 -14.330 24.244 1.00 0.00 H ATOM 758 N ASP A 104 5.297 -17.703 23.508 1.00 50.18 N ATOM 759 CA ASP A 104 5.411 -19.035 22.917 1.00 53.10 C ATOM 760 C ASP A 104 5.801 -18.957 21.447 1.00 52.82 C ATOM 761 O ASP A 104 5.186 -18.229 20.665 1.00 52.46 O ATOM 762 CB ASP A 104 4.066 -19.750 23.104 1.00 57.69 C ATOM 763 CG ASP A 104 4.036 -21.170 22.553 1.00 56.02 C ATOM 764 OD1 ASP A 104 4.973 -21.624 21.870 1.00 63.53 O ATOM 765 OD2 ASP A 104 3.044 -21.862 22.847 1.00 68.50 O ATOM 766 H ASP A 104 4.412 -17.442 23.988 1.00 0.00 H ATOM 767 N CYS A 105 6.846 -19.701 21.073 1.00 48.76 N ATOM 768 CA CYS A 105 7.238 -19.716 19.669 1.00 44.11 C ATOM 769 C CYS A 105 6.152 -20.302 18.782 1.00 47.21 C ATOM 770 O CYS A 105 6.105 -19.987 17.588 1.00 52.39 O ATOM 771 CB CYS A 105 8.546 -20.480 19.466 1.00 48.70 C ATOM 772 SG CYS A 105 10.004 -19.465 19.887 1.00 50.82 S ATOM 773 H CYS A 105 7.372 -20.261 21.774 1.00 0.00 H ATOM 774 N ASN A 106 5.264 -21.132 19.329 1.00 61.27 N ATOM 775 CA ASN A 106 4.178 -21.647 18.507 1.00 63.29 C ATOM 776 C ASN A 106 3.184 -20.561 18.117 1.00 60.26 C ATOM 777 O ASN A 106 2.360 -20.793 17.226 1.00 63.13 O ATOM 778 CB ASN A 106 3.448 -22.774 19.240 1.00 69.53 C ATOM 779 CG ASN A 106 4.296 -24.027 19.379 1.00 70.81 C ATOM 780 OD1 ASN A 106 5.032 -24.396 18.465 1.00 73.70 O ATOM 781 ND2 ASN A 106 4.216 -24.673 20.539 1.00 71.42 N ATOM 782 HD22 ASN A 106 3.580 -24.326 21.285 1.00 0.00 H ATOM 783 HD21 ASN A 106 4.790 -25.525 20.700 1.00 0.00 H ATOM 784 H ASN A 106 5.346 -21.408 20.328 1.00 0.00 H ATOM 785 N SER A 107 3.264 -19.374 18.725 1.00 61.08 N ATOM 786 CA SER A 107 2.399 -18.277 18.313 1.00 62.99 C ATOM 787 C SER A 107 2.721 -17.780 16.911 1.00 62.41 C ATOM 788 O SER A 107 1.924 -17.029 16.339 1.00 61.61 O ATOM 789 CB SER A 107 2.507 -17.092 19.276 1.00 57.17 C ATOM 790 OG SER A 107 2.433 -17.492 20.629 1.00 59.94 O ATOM 791 HG SER A 107 2.507 -16.695 21.212 1.00 0.00 H ATOM 792 H SER A 107 3.947 -19.233 19.496 1.00 0.00 H ATOM 793 N PHE A 108 3.855 -18.178 16.348 1.00 61.09 N ATOM 794 CA PHE A 108 4.356 -17.590 15.108 1.00 63.15 C ATOM 795 C PHE A 108 4.493 -18.662 14.039 1.00 69.26 C ATOM 796 O PHE A 108 5.372 -19.537 14.149 1.00 67.47 O ATOM 797 CB PHE A 108 5.703 -16.912 15.364 1.00 58.53 C ATOM 798 CG PHE A 108 5.742 -16.081 16.621 1.00 53.51 C ATOM 799 CD1 PHE A 108 4.978 -14.932 16.724 1.00 48.33 C ATOM 800 CD2 PHE A 108 6.559 -16.436 17.686 1.00 58.00 C ATOM 801 CE1 PHE A 108 5.019 -14.155 17.867 1.00 52.35 C ATOM 802 CE2 PHE A 108 6.602 -15.664 18.836 1.00 50.23 C ATOM 803 CZ PHE A 108 5.831 -14.521 18.924 1.00 52.74 C ATOM 804 H PHE A 108 4.405 -18.933 16.805 1.00 0.00 H ATOM 805 N PRO A 109 3.693 -18.628 12.975 1.00 85.59 N ATOM 806 CA PRO A 109 3.681 -19.761 12.045 1.00 86.02 C ATOM 807 C PRO A 109 4.921 -19.767 11.170 1.00 78.34 C ATOM 808 O PRO A 109 5.331 -18.741 10.620 1.00 72.72 O ATOM 809 CB PRO A 109 2.409 -19.525 11.223 1.00 92.70 C ATOM 810 CG PRO A 109 2.286 -18.029 11.182 1.00 93.64 C ATOM 811 CD PRO A 109 2.885 -17.495 12.477 1.00 88.56 C ATOM 812 N GLY A 110 5.508 -20.951 11.031 1.00 76.31 N ATOM 813 CA GLY A 110 6.729 -21.101 10.275 1.00 89.40 C ATOM 814 C GLY A 110 7.972 -20.628 10.986 1.00 90.16 C ATOM 815 O GLY A 110 9.005 -20.436 10.334 1.00 98.56 O ATOM 816 H GLY A 110 5.079 -21.787 11.476 1.00 0.00 H ATOM 817 N GLY A 111 7.905 -20.412 12.295 1.00 87.91 N ATOM 818 CA GLY A 111 9.071 -19.984 13.035 1.00 81.65 C ATOM 819 C GLY A 111 9.714 -21.114 13.810 1.00 83.93 C ATOM 820 O GLY A 111 10.436 -20.870 14.781 1.00 87.00 O ATOM 821 H GLY A 111 7.003 -20.552 12.793 1.00 0.00 H ATOM 822 N ALA A 112 9.474 -22.355 13.379 1.00 78.72 N ATOM 823 CA ALA A 112 9.973 -23.511 14.117 1.00 87.81 C ATOM 824 C ALA A 112 11.483 -23.439 14.307 1.00 81.74 C ATOM 825 O ALA A 112 11.996 -23.693 15.403 1.00 80.67 O ATOM 826 CB ALA A 112 9.587 -24.802 13.393 1.00 97.88 C ATOM 827 H ALA A 112 8.925 -22.499 12.507 1.00 0.00 H ATOM 828 N SER A 113 12.213 -23.101 13.247 1.00 80.71 N ATOM 829 CA SER A 113 13.667 -23.086 13.316 1.00 84.36 C ATOM 830 C SER A 113 14.235 -21.723 13.678 1.00 89.74 C ATOM 831 O SER A 113 15.354 -21.649 14.196 1.00106.63 O ATOM 832 CB SER A 113 14.268 -23.534 11.981 1.00 84.05 C ATOM 833 OG SER A 113 13.662 -22.848 10.903 1.00 85.55 O ATOM 834 HG SER A 113 14.065 -23.152 10.051 1.00 0.00 H ATOM 835 H SER A 113 11.739 -22.844 12.358 1.00 0.00 H ATOM 836 N SER A 114 13.513 -20.640 13.398 1.00 75.27 N ATOM 837 CA SER A 114 14.057 -19.310 13.640 1.00 74.04 C ATOM 838 C SER A 114 13.770 -18.790 15.048 1.00 65.44 C ATOM 839 O SER A 114 14.577 -18.021 15.585 1.00 60.79 O ATOM 840 CB SER A 114 13.526 -18.326 12.586 1.00 66.68 C ATOM 841 OG SER A 114 12.118 -18.391 12.440 1.00 61.23 O ATOM 842 HG SER A 114 11.687 -18.173 13.304 1.00 0.00 H ATOM 843 H SER A 114 12.556 -20.744 13.005 1.00 0.00 H ATOM 844 N CYS A 115 12.664 -19.204 15.671 1.00 55.29 N ATOM 845 CA CYS A 115 12.228 -18.647 16.950 1.00 49.34 C ATOM 846 C CYS A 115 12.839 -19.400 18.128 1.00 46.21 C ATOM 847 O CYS A 115 12.931 -20.630 18.114 1.00 50.57 O ATOM 848 CB CYS A 115 10.696 -18.686 17.044 1.00 47.82 C ATOM 849 SG CYS A 115 9.966 -17.940 18.533 1.00 51.10 S ATOM 850 H CYS A 115 12.091 -19.951 15.229 1.00 0.00 H ATOM 851 N LYS A 116 13.252 -18.650 19.151 1.00 44.59 N ATOM 852 CA LYS A 116 13.823 -19.216 20.367 1.00 45.53 C ATOM 853 C LYS A 116 13.029 -18.712 21.566 1.00 42.11 C ATOM 854 O LYS A 116 12.277 -17.739 21.466 1.00 42.65 O ATOM 855 CB LYS A 116 15.307 -18.845 20.522 1.00 49.30 C ATOM 856 CG LYS A 116 16.212 -19.322 19.386 1.00 66.61 C ATOM 857 CD LYS A 116 16.330 -20.840 19.369 1.00 81.03 C ATOM 858 CE LYS A 116 17.305 -21.321 18.302 1.00 84.69 C ATOM 859 NZ LYS A 116 16.665 -21.453 16.962 1.00 81.24 N ATOM 860 HZ1 LYS A 116 15.886 -22.139 17.017 1.00 0.00 H ATOM 861 HZ2 LYS A 116 16.294 -20.528 16.664 1.00 0.00 H ATOM 862 HZ3 LYS A 116 17.371 -21.783 16.273 1.00 0.00 H ATOM 863 H LYS A 116 13.163 -17.616 19.078 1.00 0.00 H ATOM 864 N GLU A 117 13.227 -19.354 22.725 1.00 37.65 N ATOM 865 CA GLU A 117 12.497 -18.996 23.941 1.00 36.92 C ATOM 866 C GLU A 117 13.411 -18.652 25.112 1.00 37.51 C ATOM 867 O GLU A 117 12.936 -18.525 26.247 1.00 35.21 O ATOM 868 CB GLU A 117 11.532 -20.126 24.340 1.00 38.77 C ATOM 869 CG GLU A 117 10.391 -20.292 23.335 1.00 50.88 C ATOM 870 CD GLU A 117 9.313 -21.293 23.744 1.00 54.75 C ATOM 871 OE1 GLU A 117 9.449 -21.973 24.787 1.00 49.20 O ATOM 872 OE2 GLU A 117 8.324 -21.408 22.988 1.00 56.98 O ATOM 873 H GLU A 117 13.920 -20.129 22.761 1.00 0.00 H ATOM 874 N THR A 118 14.691 -18.449 24.865 1.00 34.43 N ATOM 875 CA THR A 118 15.622 -18.048 25.900 1.00 33.21 C ATOM 876 C THR A 118 16.387 -16.827 25.405 1.00 35.48 C ATOM 877 O THR A 118 16.335 -16.476 24.223 1.00 31.62 O ATOM 878 CB THR A 118 16.598 -19.187 26.233 1.00 35.65 C ATOM 879 OG1 THR A 118 17.372 -19.487 25.066 1.00 36.91 O ATOM 880 CG2 THR A 118 15.873 -20.462 26.661 1.00 35.98 C ATOM 881 HG1 THR A 118 17.877 -18.681 24.790 1.00 0.00 H ATOM 882 H THR A 118 15.043 -18.581 23.895 1.00 0.00 H ATOM 883 N PHE A 119 17.122 -16.197 26.324 1.00 32.63 N ATOM 884 CA PHE A 119 18.086 -15.143 26.014 1.00 31.07 C ATOM 885 C PHE A 119 19.257 -15.303 26.982 1.00 33.81 C ATOM 886 O PHE A 119 19.191 -16.101 27.919 1.00 35.16 O ATOM 887 CB PHE A 119 17.462 -13.751 26.098 1.00 32.81 C ATOM 888 CG PHE A 119 17.071 -13.320 27.480 1.00 29.57 C ATOM 889 CD1 PHE A 119 15.838 -13.670 28.013 1.00 30.16 C ATOM 890 CD2 PHE A 119 17.925 -12.527 28.235 1.00 34.35 C ATOM 891 CE1 PHE A 119 15.458 -13.245 29.286 1.00 33.08 C ATOM 892 CE2 PHE A 119 17.562 -12.107 29.510 1.00 36.38 C ATOM 893 CZ PHE A 119 16.314 -12.453 30.030 1.00 31.08 C ATOM 894 H PHE A 119 17.002 -16.472 27.320 1.00 0.00 H ATOM 895 N ASN A 120 20.350 -14.568 26.749 1.00 28.27 N ATOM 896 CA ASN A 120 21.582 -14.755 27.514 1.00 26.61 C ATOM 897 C ASN A 120 21.950 -13.518 28.326 1.00 34.80 C ATOM 898 O ASN A 120 21.797 -12.385 27.859 1.00 28.90 O ATOM 899 CB ASN A 120 22.739 -15.136 26.581 1.00 29.83 C ATOM 900 CG ASN A 120 22.515 -16.480 25.922 1.00 36.72 C ATOM 901 OD1 ASN A 120 21.972 -17.387 26.546 1.00 31.31 O ATOM 902 ND2 ASN A 120 22.907 -16.611 24.659 1.00 34.24 N ATOM 903 HD22 ASN A 120 23.363 -15.814 24.171 1.00 0.00 H ATOM 904 HD21 ASN A 120 22.758 -17.510 24.159 1.00 0.00 H ATOM 905 H ASN A 120 20.323 -13.844 26.003 1.00 0.00 H ATOM 906 N LEU A 121 22.451 -13.757 29.542 1.00 27.52 N ATOM 907 CA LEU A 121 22.882 -12.713 30.469 1.00 26.39 C ATOM 908 C LEU A 121 24.402 -12.723 30.572 1.00 25.49 C ATOM 909 O LEU A 121 25.006 -13.776 30.794 1.00 27.08 O ATOM 910 CB LEU A 121 22.253 -12.924 31.855 1.00 26.15 C ATOM 911 CG LEU A 121 22.789 -12.063 33.001 1.00 24.42 C ATOM 912 CD1 LEU A 121 22.449 -10.587 32.835 1.00 24.71 C ATOM 913 CD2 LEU A 121 22.339 -12.582 34.388 1.00 27.39 C ATOM 914 H LEU A 121 22.540 -14.747 29.847 1.00 0.00 H ATOM 915 N TYR A 122 25.009 -11.543 30.444 1.00 25.31 N ATOM 916 CA TYR A 122 26.456 -11.367 30.443 1.00 26.98 C ATOM 917 C TYR A 122 26.798 -10.237 31.409 1.00 26.20 C ATOM 918 O TYR A 122 25.934 -9.430 31.753 1.00 27.11 O ATOM 919 CB TYR A 122 26.978 -10.985 29.035 1.00 28.81 C ATOM 920 CG TYR A 122 27.017 -12.095 28.014 1.00 29.80 C ATOM 921 CD1 TYR A 122 25.871 -12.502 27.321 1.00 35.98 C ATOM 922 CD2 TYR A 122 28.212 -12.711 27.719 1.00 28.42 C ATOM 923 CE1 TYR A 122 25.941 -13.531 26.383 1.00 35.69 C ATOM 924 CE2 TYR A 122 28.293 -13.716 26.804 1.00 34.55 C ATOM 925 CZ TYR A 122 27.165 -14.122 26.138 1.00 37.62 C ATOM 926 OH TYR A 122 27.312 -15.132 25.230 1.00 51.44 O ATOM 927 HH TYR A 122 26.435 -15.334 24.818 1.00 0.00 H ATOM 928 H TYR A 122 24.414 -10.697 30.338 1.00 0.00 H ATOM 929 N TYR A 123 28.071 -10.138 31.802 1.00 25.30 N ATOM 930 CA TYR A 123 28.546 -8.950 32.508 1.00 24.93 C ATOM 931 C TYR A 123 29.997 -8.686 32.138 1.00 27.25 C ATOM 932 O TYR A 123 30.682 -9.545 31.583 1.00 26.48 O ATOM 933 CB TYR A 123 28.395 -9.075 34.039 1.00 23.62 C ATOM 934 CG TYR A 123 29.442 -9.891 34.781 1.00 27.88 C ATOM 935 CD1 TYR A 123 29.654 -11.223 34.478 1.00 31.40 C ATOM 936 CD2 TYR A 123 30.157 -9.343 35.845 1.00 34.46 C ATOM 937 CE1 TYR A 123 30.599 -11.985 35.175 1.00 33.26 C ATOM 938 CE2 TYR A 123 31.083 -10.096 36.554 1.00 28.40 C ATOM 939 CZ TYR A 123 31.294 -11.416 36.220 1.00 35.16 C ATOM 940 OH TYR A 123 32.218 -12.149 36.926 1.00 39.33 O ATOM 941 HH TYR A 123 32.251 -13.071 36.566 1.00 0.00 H ATOM 942 H TYR A 123 28.732 -10.916 31.603 1.00 0.00 H ATOM 943 N ALA A 124 30.458 -7.478 32.452 1.00 25.94 N ATOM 944 CA ALA A 124 31.871 -7.158 32.337 1.00 27.47 C ATOM 945 C ALA A 124 32.272 -6.214 33.456 1.00 27.91 C ATOM 946 O ALA A 124 31.547 -5.267 33.772 1.00 26.69 O ATOM 947 CB ALA A 124 32.200 -6.507 30.983 1.00 31.04 C ATOM 948 H ALA A 124 29.795 -6.749 32.786 1.00 0.00 H ATOM 949 N GLU A 125 33.437 -6.467 34.039 1.00 24.79 N ATOM 950 CA GLU A 125 34.020 -5.534 34.988 1.00 25.61 C ATOM 951 C GLU A 125 35.002 -4.614 34.276 1.00 31.95 C ATOM 952 O GLU A 125 35.730 -5.037 33.376 1.00 28.75 O ATOM 953 CB GLU A 125 34.730 -6.295 36.102 1.00 30.95 C ATOM 954 CG GLU A 125 33.818 -7.169 36.920 1.00 32.65 C ATOM 955 CD GLU A 125 34.535 -7.709 38.125 1.00 34.32 C ATOM 956 OE1 GLU A 125 34.887 -6.899 39.008 1.00 34.93 O ATOM 957 OE2 GLU A 125 34.786 -8.927 38.161 1.00 36.36 O ATOM 958 H GLU A 125 33.941 -7.348 33.813 1.00 0.00 H ATOM 959 N SER A 126 35.041 -3.360 34.702 1.00 27.61 N ATOM 960 CA SER A 126 36.035 -2.447 34.166 1.00 28.99 C ATOM 961 C SER A 126 36.283 -1.337 35.166 1.00 34.23 C ATOM 962 O SER A 126 35.441 -1.043 36.020 1.00 35.64 O ATOM 963 CB SER A 126 35.599 -1.841 32.834 1.00 32.70 C ATOM 964 OG SER A 126 34.462 -1.033 33.061 1.00 37.87 O ATOM 965 HG SER A 126 34.692 -0.314 33.701 1.00 0.00 H ATOM 966 H SER A 126 34.362 -3.031 35.418 1.00 0.00 H ATOM 967 N ASP A 127 37.444 -0.699 35.006 1.00 32.37 N ATOM 968 CA ASP A 127 37.874 0.415 35.833 1.00 31.88 C ATOM 969 C ASP A 127 37.457 1.766 35.276 1.00 36.85 C ATOM 970 O ASP A 127 37.494 2.756 36.015 1.00 45.82 O ATOM 971 CB ASP A 127 39.399 0.405 35.992 1.00 37.16 C ATOM 972 CG ASP A 127 39.880 -0.661 36.937 1.00 52.61 C ATOM 973 OD1 ASP A 127 39.129 -0.985 37.884 1.00 38.87 O ATOM 974 OD2 ASP A 127 41.022 -1.143 36.751 1.00 44.38 O ATOM 975 H ASP A 127 38.078 -1.018 34.245 1.00 0.00 H ATOM 976 N LEU A 128 37.092 1.833 33.996 1.00 31.00 N ATOM 977 CA LEU A 128 36.622 3.055 33.363 1.00 29.93 C ATOM 978 C LEU A 128 35.318 2.770 32.631 1.00 30.71 C ATOM 979 O LEU A 128 34.904 1.617 32.466 1.00 29.84 O ATOM 980 CB LEU A 128 37.661 3.630 32.389 1.00 34.98 C ATOM 981 CG LEU A 128 38.201 2.769 31.246 1.00 36.28 C ATOM 982 CD1 LEU A 128 37.224 2.638 30.087 1.00 40.36 C ATOM 983 CD2 LEU A 128 39.521 3.350 30.731 1.00 41.22 C ATOM 984 H LEU A 128 37.146 0.968 33.421 1.00 0.00 H ATOM 985 N ASP A 129 34.666 3.847 32.201 1.00 29.26 N ATOM 986 CA ASP A 129 33.486 3.753 31.353 1.00 29.15 C ATOM 987 C ASP A 129 33.914 3.796 29.890 1.00 29.49 C ATOM 988 O ASP A 129 34.555 4.760 29.456 1.00 29.84 O ATOM 989 CB ASP A 129 32.509 4.888 31.649 1.00 29.37 C ATOM 990 CG ASP A 129 31.377 4.968 30.638 1.00 30.59 C ATOM 991 OD1 ASP A 129 30.887 3.901 30.202 1.00 31.78 O ATOM 992 OD2 ASP A 129 30.951 6.103 30.305 1.00 33.06 O ATOM 993 H ASP A 129 35.011 4.788 32.480 1.00 0.00 H ATOM 994 N TYR A 130 33.553 2.762 29.128 1.00 29.75 N ATOM 995 CA TYR A 130 33.826 2.734 27.696 1.00 30.48 C ATOM 996 C TYR A 130 32.875 3.580 26.863 1.00 30.51 C ATOM 997 O TYR A 130 33.094 3.713 25.649 1.00 32.25 O ATOM 998 CB TYR A 130 33.762 1.299 27.172 1.00 35.68 C ATOM 999 CG TYR A 130 34.964 0.478 27.545 1.00 51.48 C ATOM 1000 CD1 TYR A 130 36.116 0.532 26.768 1.00 75.65 C ATOM 1001 CD2 TYR A 130 34.963 -0.342 28.669 1.00 46.50 C ATOM 1002 CE1 TYR A 130 37.239 -0.207 27.091 1.00 83.70 C ATOM 1003 CE2 TYR A 130 36.089 -1.093 29.004 1.00 65.56 C ATOM 1004 CZ TYR A 130 37.226 -1.015 28.207 1.00 81.36 C ATOM 1005 OH TYR A 130 38.361 -1.739 28.502 1.00 91.01 O ATOM 1006 HH TYR A 130 38.693 -1.479 29.398 1.00 0.00 H ATOM 1007 H TYR A 130 33.064 1.955 29.567 1.00 0.00 H ATOM 1008 N GLY A 131 31.832 4.134 27.460 1.00 29.99 N ATOM 1009 CA GLY A 131 30.966 5.037 26.719 1.00 30.40 C ATOM 1010 C GLY A 131 30.239 4.268 25.634 1.00 32.67 C ATOM 1011 O GLY A 131 29.743 3.158 25.860 1.00 31.51 O ATOM 1012 H GLY A 131 31.632 3.924 28.459 1.00 0.00 H ATOM 1013 N THR A 132 30.211 4.819 24.425 1.00 31.95 N ATOM 1014 CA THR A 132 29.470 4.170 23.348 1.00 38.83 C ATOM 1015 C THR A 132 30.230 3.029 22.679 1.00 35.83 C ATOM 1016 O THR A 132 29.690 2.390 21.770 1.00 40.21 O ATOM 1017 CB THR A 132 29.109 5.194 22.278 1.00 40.15 C ATOM 1018 OG1 THR A 132 30.327 5.697 21.720 1.00 39.03 O ATOM 1019 CG2 THR A 132 28.308 6.326 22.887 1.00 44.61 C ATOM 1020 HG1 THR A 132 30.117 6.366 21.021 1.00 0.00 H ATOM 1021 H THR A 132 30.716 5.711 24.247 1.00 0.00 H ATOM 1022 N ASN A 133 31.456 2.751 23.091 1.00 38.76 N ATOM 1023 CA ASN A 133 32.208 1.643 22.514 1.00 35.70 C ATOM 1024 C ASN A 133 31.703 0.383 23.205 1.00 41.36 C ATOM 1025 O ASN A 133 32.021 0.123 24.365 1.00 41.10 O ATOM 1026 CB ASN A 133 33.704 1.842 22.708 1.00 40.64 C ATOM 1027 CG ASN A 133 34.532 0.782 22.002 1.00 53.24 C ATOM 1028 OD1 ASN A 133 34.046 0.094 21.108 1.00 55.11 O ATOM 1029 ND2 ASN A 133 35.785 0.639 22.412 1.00 66.00 N ATOM 1030 HD22 ASN A 133 36.155 1.244 23.173 1.00 0.00 H ATOM 1031 HD21 ASN A 133 36.397 -0.078 21.973 1.00 0.00 H ATOM 1032 H ASN A 133 31.890 3.331 23.837 1.00 0.00 H ATOM 1033 N PHE A 134 30.835 -0.358 22.546 1.00 35.33 N ATOM 1034 CA PHE A 134 30.403 -1.641 23.071 1.00 44.32 C ATOM 1035 C PHE A 134 31.268 -2.703 22.415 1.00 47.40 C ATOM 1036 O PHE A 134 31.208 -2.883 21.195 1.00 53.35 O ATOM 1037 CB PHE A 134 28.933 -1.916 22.781 1.00 36.08 C ATOM 1038 CG PHE A 134 28.502 -3.312 23.134 1.00 46.20 C ATOM 1039 CD1 PHE A 134 28.650 -3.790 24.423 1.00 50.19 C ATOM 1040 CD2 PHE A 134 27.934 -4.137 22.186 1.00 60.46 C ATOM 1041 CE1 PHE A 134 28.244 -5.063 24.756 1.00 59.92 C ATOM 1042 CE2 PHE A 134 27.529 -5.411 22.517 1.00 67.11 C ATOM 1043 CZ PHE A 134 27.683 -5.873 23.804 1.00 66.62 C ATOM 1044 H PHE A 134 30.455 -0.020 21.639 1.00 0.00 H ATOM 1045 N GLN A 135 32.038 -3.426 23.213 1.00 45.86 N ATOM 1046 CA GLN A 135 32.823 -4.543 22.699 1.00 62.55 C ATOM 1047 C GLN A 135 32.364 -5.794 23.430 1.00 50.00 C ATOM 1048 O GLN A 135 32.671 -5.979 24.613 1.00 41.38 O ATOM 1049 CB GLN A 135 34.320 -4.298 22.869 1.00 93.80 C ATOM 1050 CG GLN A 135 34.829 -3.129 22.037 1.00115.12 C ATOM 1051 CD GLN A 135 34.495 -3.283 20.564 1.00130.38 C ATOM 1052 OE1 GLN A 135 34.526 -4.390 20.026 1.00138.30 O ATOM 1053 NE2 GLN A 135 34.152 -2.179 19.911 1.00135.86 N ATOM 1054 HE22 GLN A 135 34.140 -1.265 20.406 1.00 0.00 H ATOM 1055 HE21 GLN A 135 33.896 -2.229 18.904 1.00 0.00 H ATOM 1056 H GLN A 135 32.084 -3.193 24.226 1.00 0.00 H ATOM 1057 N LYS A 136 31.597 -6.638 22.738 1.00 44.78 N ATOM 1058 CA LYS A 136 31.072 -7.825 23.399 1.00 45.36 C ATOM 1059 C LYS A 136 32.204 -8.755 23.799 1.00 37.54 C ATOM 1060 O LYS A 136 32.031 -9.559 24.716 1.00 35.72 O ATOM 1061 CB LYS A 136 30.057 -8.542 22.503 1.00 54.27 C ATOM 1062 CG LYS A 136 30.642 -9.229 21.283 1.00 66.75 C ATOM 1063 CD LYS A 136 29.549 -9.820 20.390 1.00 70.43 C ATOM 1064 CE LYS A 136 28.653 -8.724 19.818 1.00 74.33 C ATOM 1065 NZ LYS A 136 27.942 -9.148 18.580 1.00 75.25 N ATOM 1066 HZ1 LYS A 136 28.639 -9.402 17.851 1.00 0.00 H ATOM 1067 HZ2 LYS A 136 27.343 -9.972 18.791 1.00 0.00 H ATOM 1068 HZ3 LYS A 136 27.349 -8.365 18.237 1.00 0.00 H ATOM 1069 H LYS A 136 31.377 -6.451 21.739 1.00 0.00 H ATOM 1070 N ARG A 137 33.380 -8.627 23.173 1.00 36.26 N ATOM 1071 CA ARG A 137 34.487 -9.507 23.524 1.00 36.69 C ATOM 1072 C ARG A 137 34.920 -9.336 24.974 1.00 33.83 C ATOM 1073 O ARG A 137 35.529 -10.257 25.537 1.00 32.69 O ATOM 1074 CB ARG A 137 35.673 -9.266 22.580 1.00 44.78 C ATOM 1075 CG ARG A 137 36.301 -7.876 22.669 1.00 61.75 C ATOM 1076 CD ARG A 137 37.390 -7.679 21.606 1.00 80.78 C ATOM 1077 NE ARG A 137 38.044 -6.376 21.704 1.00 92.64 N ATOM 1078 CZ ARG A 137 37.704 -5.304 20.990 1.00110.66 C ATOM 1079 NH1 ARG A 137 36.708 -5.366 20.115 1.00123.57 N ATOM 1080 NH2 ARG A 137 38.362 -4.165 21.155 1.00110.53 N ATOM 1081 HE ARG A 137 38.830 -6.279 22.378 1.00 0.00 H ATOM 1082 HH12 ARG A 137 36.449 -4.524 19.562 1.00 0.00 H ATOM 1083 HH11 ARG A 137 36.187 -6.256 19.983 1.00 0.00 H ATOM 1084 HH22 ARG A 137 38.098 -3.327 20.599 1.00 0.00 H ATOM 1085 HH21 ARG A 137 39.142 -4.110 21.841 1.00 0.00 H ATOM 1086 H ARG A 137 33.503 -7.901 22.438 1.00 0.00 H ATOM 1087 N LEU A 138 34.587 -8.208 25.605 1.00 33.73 N ATOM 1088 CA LEU A 138 34.928 -8.013 27.006 1.00 36.50 C ATOM 1089 C LEU A 138 33.947 -8.678 27.965 1.00 33.71 C ATOM 1090 O LEU A 138 34.227 -8.732 29.169 1.00 34.25 O ATOM 1091 CB LEU A 138 34.996 -6.520 27.336 1.00 40.40 C ATOM 1092 CG LEU A 138 36.085 -5.741 26.604 1.00 42.60 C ATOM 1093 CD1 LEU A 138 36.017 -4.257 26.963 1.00 48.46 C ATOM 1094 CD2 LEU A 138 37.448 -6.306 26.913 1.00 44.78 C ATOM 1095 H LEU A 138 34.079 -7.461 25.090 1.00 0.00 H ATOM 1096 N PHE A 139 32.846 -9.237 27.475 1.00 29.72 N ATOM 1097 CA PHE A 139 31.801 -9.749 28.355 1.00 27.64 C ATOM 1098 C PHE A 139 31.899 -11.251 28.601 1.00 32.70 C ATOM 1099 O PHE A 139 32.210 -12.031 27.696 1.00 30.94 O ATOM 1100 CB PHE A 139 30.422 -9.395 27.783 1.00 28.08 C ATOM 1101 CG PHE A 139 30.062 -7.962 27.998 1.00 31.56 C ATOM 1102 CD1 PHE A 139 30.654 -6.968 27.231 1.00 33.62 C ATOM 1103 CD2 PHE A 139 29.189 -7.594 29.009 1.00 30.99 C ATOM 1104 CE1 PHE A 139 30.360 -5.637 27.451 1.00 36.38 C ATOM 1105 CE2 PHE A 139 28.897 -6.254 29.233 1.00 27.34 C ATOM 1106 CZ PHE A 139 29.485 -5.283 28.457 1.00 28.51 C ATOM 1107 H PHE A 139 32.727 -9.311 26.445 1.00 0.00 H ATOM 1108 N THR A 140 31.577 -11.636 29.839 1.00 27.53 N ATOM 1109 CA THR A 140 31.564 -13.018 30.302 1.00 30.44 C ATOM 1110 C THR A 140 30.122 -13.473 30.461 1.00 26.13 C ATOM 1111 O THR A 140 29.307 -12.760 31.052 1.00 28.17 O ATOM 1112 CB THR A 140 32.294 -13.152 31.644 1.00 32.75 C ATOM 1113 OG1 THR A 140 33.669 -12.801 31.455 1.00 36.24 O ATOM 1114 CG2 THR A 140 32.197 -14.576 32.213 1.00 36.29 C ATOM 1115 HG1 THR A 140 33.729 -11.868 31.131 1.00 0.00 H ATOM 1116 H THR A 140 31.317 -10.896 30.522 1.00 0.00 H ATOM 1117 N LYS A 141 29.799 -14.645 29.930 1.00 27.83 N ATOM 1118 CA LYS A 141 28.429 -15.125 30.072 1.00 31.65 C ATOM 1119 C LYS A 141 28.145 -15.517 31.519 1.00 30.92 C ATOM 1120 O LYS A 141 28.919 -16.266 32.122 1.00 30.28 O ATOM 1121 CB LYS A 141 28.162 -16.321 29.164 1.00 32.48 C ATOM 1122 CG LYS A 141 26.701 -16.793 29.236 1.00 30.63 C ATOM 1123 CD LYS A 141 26.422 -17.959 28.300 1.00 45.80 C ATOM 1124 CE LYS A 141 24.964 -18.402 28.387 1.00 42.41 C ATOM 1125 NZ LYS A 141 24.651 -19.483 27.407 1.00 47.59 N ATOM 1126 HZ1 LYS A 141 24.830 -19.137 26.443 1.00 0.00 H ATOM 1127 HZ2 LYS A 141 25.255 -20.308 27.598 1.00 0.00 H ATOM 1128 HZ3 LYS A 141 23.651 -19.754 27.500 1.00 0.00 H ATOM 1129 H LYS A 141 30.509 -15.211 29.422 1.00 0.00 H ATOM 1130 N ILE A 142 27.017 -15.050 32.063 1.00 27.43 N ATOM 1131 CA ILE A 142 26.563 -15.524 33.376 1.00 30.80 C ATOM 1132 C ILE A 142 25.693 -16.766 33.224 1.00 30.36 C ATOM 1133 O ILE A 142 26.006 -17.828 33.770 1.00 29.31 O ATOM 1134 CB ILE A 142 25.812 -14.405 34.140 1.00 29.99 C ATOM 1135 CG1 ILE A 142 26.759 -13.222 34.363 1.00 25.99 C ATOM 1136 CG2 ILE A 142 25.291 -14.930 35.508 1.00 29.43 C ATOM 1137 CD1 ILE A 142 26.138 -11.947 34.927 1.00 27.85 C ATOM 1138 H ILE A 142 26.454 -14.342 31.550 1.00 0.00 H ATOM 1139 N ASP A 143 24.635 -16.688 32.415 1.00 26.42 N ATOM 1140 CA ASP A 143 23.790 -17.858 32.207 1.00 29.86 C ATOM 1141 C ASP A 143 22.866 -17.638 31.020 1.00 26.14 C ATOM 1142 O ASP A 143 22.662 -16.514 30.550 1.00 28.45 O ATOM 1143 CB ASP A 143 22.962 -18.156 33.469 1.00 28.16 C ATOM 1144 CG ASP A 143 22.485 -19.598 33.568 1.00 30.69 C ATOM 1145 OD1 ASP A 143 22.827 -20.439 32.711 1.00 32.76 O ATOM 1146 OD2 ASP A 143 21.771 -19.889 34.553 1.00 30.79 O ATOM 1147 H ASP A 143 24.413 -15.793 31.933 1.00 0.00 H ATOM 1148 N THR A 144 22.318 -18.740 30.544 1.00 24.17 N ATOM 1149 CA THR A 144 21.124 -18.702 29.724 1.00 31.27 C ATOM 1150 C THR A 144 19.956 -18.469 30.662 1.00 32.05 C ATOM 1151 O THR A 144 19.876 -19.091 31.727 1.00 34.90 O ATOM 1152 CB THR A 144 20.983 -20.003 28.949 1.00 31.93 C ATOM 1153 OG1 THR A 144 22.143 -20.134 28.113 1.00 35.04 O ATOM 1154 CG2 THR A 144 19.723 -20.013 28.082 1.00 36.51 C ATOM 1155 HG1 THR A 144 22.190 -19.364 27.493 1.00 0.00 H ATOM 1156 H THR A 144 22.754 -19.659 30.763 1.00 0.00 H ATOM 1157 N ILE A 145 19.083 -17.542 30.286 1.00 29.65 N ATOM 1158 CA ILE A 145 17.883 -17.216 31.047 1.00 26.65 C ATOM 1159 C ILE A 145 16.684 -17.807 30.315 1.00 29.07 C ATOM 1160 O ILE A 145 16.444 -17.486 29.143 1.00 30.42 O ATOM 1161 CB ILE A 145 17.729 -15.696 31.222 1.00 31.15 C ATOM 1162 CG1 ILE A 145 19.006 -15.090 31.811 1.00 30.55 C ATOM 1163 CG2 ILE A 145 16.519 -15.397 32.080 1.00 31.59 C ATOM 1164 CD1 ILE A 145 19.382 -15.641 33.173 1.00 34.28 C ATOM 1165 H ILE A 145 19.264 -17.022 29.404 1.00 0.00 H ATOM 1166 N ALA A 146 15.931 -18.671 31.004 1.00 32.42 N ATOM 1167 CA ALA A 146 14.788 -19.342 30.400 1.00 32.75 C ATOM 1168 C ALA A 146 13.520 -19.083 31.204 1.00 35.80 C ATOM 1169 O ALA A 146 13.562 -19.042 32.438 1.00 35.69 O ATOM 1170 CB ALA A 146 14.992 -20.860 30.304 1.00 37.29 C ATOM 1171 H ALA A 146 16.168 -18.869 31.997 1.00 0.00 H ATOM 1172 N PRO A 147 12.367 -18.983 30.539 1.00 35.82 N ATOM 1173 CA PRO A 147 11.118 -18.693 31.260 1.00 38.93 C ATOM 1174 C PRO A 147 10.532 -19.940 31.905 1.00 39.95 C ATOM 1175 O PRO A 147 10.373 -20.968 31.244 1.00 39.94 O ATOM 1176 CB PRO A 147 10.187 -18.184 30.151 1.00 39.94 C ATOM 1177 CG PRO A 147 10.627 -19.006 28.940 1.00 42.20 C ATOM 1178 CD PRO A 147 12.149 -19.122 29.084 1.00 34.96 C ATOM 1179 N ASP A 148 10.132 -19.825 33.175 1.00 42.17 N ATOM 1180 CA ASP A 148 9.285 -20.865 33.749 1.00 46.31 C ATOM 1181 C ASP A 148 7.908 -20.871 33.084 1.00 48.18 C ATOM 1182 O ASP A 148 7.266 -21.923 33.001 1.00 42.37 O ATOM 1183 CB ASP A 148 9.134 -20.683 35.261 1.00 49.01 C ATOM 1184 CG ASP A 148 10.354 -21.166 36.049 1.00 56.88 C ATOM 1185 OD1 ASP A 148 11.109 -22.028 35.546 1.00 58.91 O ATOM 1186 OD2 ASP A 148 10.552 -20.679 37.183 1.00 55.83 O ATOM 1187 H ASP A 148 10.421 -19.005 33.746 1.00 0.00 H ATOM 1188 N GLU A 149 7.430 -19.720 32.608 1.00 43.09 N ATOM 1189 CA GLU A 149 6.103 -19.642 31.999 1.00 46.56 C ATOM 1190 C GLU A 149 6.163 -18.857 30.698 1.00 38.24 C ATOM 1191 O GLU A 149 6.611 -17.706 30.683 1.00 41.73 O ATOM 1192 CB GLU A 149 5.081 -18.994 32.939 1.00 54.90 C ATOM 1193 CG GLU A 149 4.277 -19.947 33.795 1.00 73.01 C ATOM 1194 CD GLU A 149 2.877 -19.407 34.065 1.00 82.16 C ATOM 1195 OE1 GLU A 149 2.744 -18.436 34.842 1.00 79.65 O ATOM 1196 OE2 GLU A 149 1.911 -19.933 33.468 1.00 83.71 O ATOM 1197 H GLU A 149 8.013 -18.861 32.671 1.00 0.00 H ATOM 1198 N ILE A 150 5.742 -19.476 29.613 1.00 42.96 N ATOM 1199 CA ILE A 150 5.684 -18.764 28.343 1.00 43.60 C ATOM 1200 C ILE A 150 4.301 -18.146 28.217 1.00 47.03 C ATOM 1201 O ILE A 150 3.316 -18.673 28.739 1.00 43.84 O ATOM 1202 CB ILE A 150 5.995 -19.672 27.136 1.00 49.52 C ATOM 1203 CG1 ILE A 150 5.113 -20.916 27.153 1.00 63.93 C ATOM 1204 CG2 ILE A 150 7.487 -20.021 27.113 1.00 48.93 C ATOM 1205 CD1 ILE A 150 5.277 -21.769 25.917 1.00 81.24 C ATOM 1206 H ILE A 150 5.451 -20.473 29.663 1.00 0.00 H ATOM 1207 N THR A 151 4.208 -17.043 27.489 1.00 49.21 N ATOM 1208 CA THR A 151 2.924 -16.398 27.245 1.00 47.56 C ATOM 1209 C THR A 151 2.353 -16.892 25.921 1.00 50.64 C ATOM 1210 O THR A 151 2.967 -16.694 24.867 1.00 47.46 O ATOM 1211 CB THR A 151 3.088 -14.880 27.237 1.00 50.58 C ATOM 1212 OG1 THR A 151 3.576 -14.439 28.511 1.00 49.13 O ATOM 1213 CG2 THR A 151 1.762 -14.214 26.964 1.00 55.31 C ATOM 1214 HG1 THR A 151 4.452 -14.863 28.692 1.00 0.00 H ATOM 1215 H THR A 151 5.071 -16.628 27.082 1.00 0.00 H ATOM 1216 N VAL A 152 1.182 -17.534 25.967 1.00 57.04 N ATOM 1217 CA VAL A 152 0.566 -18.023 24.736 1.00 55.86 C ATOM 1218 C VAL A 152 -0.308 -16.934 24.126 1.00 51.40 C ATOM 1219 O VAL A 152 -0.693 -15.976 24.806 1.00 51.09 O ATOM 1220 CB VAL A 152 -0.275 -19.293 24.967 1.00 57.43 C ATOM 1221 CG1 VAL A 152 0.567 -20.390 25.576 1.00 56.71 C ATOM 1222 CG2 VAL A 152 -1.483 -18.960 25.837 1.00 54.26 C ATOM 1223 H VAL A 152 0.709 -17.686 26.880 1.00 0.00 H ATOM 1224 N SER A 153 -0.691 -17.122 22.860 1.00 56.11 N ATOM 1225 CA SER A 153 -1.355 -16.066 22.102 1.00 62.01 C ATOM 1226 C SER A 153 -2.638 -15.585 22.770 1.00 61.51 C ATOM 1227 O SER A 153 -2.898 -14.377 22.821 1.00 59.14 O ATOM 1228 CB SER A 153 -1.651 -16.552 20.684 1.00 69.17 C ATOM 1229 OG SER A 153 -0.455 -16.910 20.022 1.00 76.69 O ATOM 1230 HG SER A 153 -0.006 -17.636 20.524 1.00 0.00 H ATOM 1231 H SER A 153 -0.512 -18.040 22.405 1.00 0.00 H ATOM 1232 N SER A 154 -3.475 -16.507 23.250 1.00 64.43 N ATOM 1233 CA SER A 154 -4.744 -16.096 23.842 1.00 64.52 C ATOM 1234 C SER A 154 -4.518 -15.194 25.050 1.00 67.33 C ATOM 1235 O SER A 154 -5.243 -14.211 25.246 1.00 62.57 O ATOM 1236 CB SER A 154 -5.568 -17.324 24.233 1.00 67.51 C ATOM 1237 OG SER A 154 -4.763 -18.310 24.856 1.00 68.88 O ATOM 1238 HG SER A 154 -4.050 -18.595 24.231 1.00 0.00 H ATOM 1239 H SER A 154 -3.224 -17.515 23.202 1.00 0.00 H ATOM 1240 N ASP A 155 -3.512 -15.504 25.870 1.00 67.60 N ATOM 1241 CA ASP A 155 -3.220 -14.658 27.022 1.00 70.91 C ATOM 1242 C ASP A 155 -2.620 -13.326 26.588 1.00 57.39 C ATOM 1243 O ASP A 155 -2.922 -12.282 27.179 1.00 56.23 O ATOM 1244 CB ASP A 155 -2.294 -15.398 27.982 1.00 77.35 C ATOM 1245 CG ASP A 155 -3.016 -16.497 28.735 1.00 78.00 C ATOM 1246 OD1 ASP A 155 -4.181 -16.282 29.136 1.00 81.90 O ATOM 1247 OD2 ASP A 155 -2.429 -17.581 28.916 1.00 69.89 O ATOM 1248 H ASP A 155 -2.935 -16.350 25.688 1.00 0.00 H ATOM 1249 N PHE A 156 -1.776 -13.335 25.555 1.00 50.81 N ATOM 1250 CA PHE A 156 -1.236 -12.085 25.029 1.00 53.83 C ATOM 1251 C PHE A 156 -2.359 -11.168 24.554 1.00 52.80 C ATOM 1252 O PHE A 156 -2.428 -9.997 24.944 1.00 49.90 O ATOM 1253 CB PHE A 156 -0.248 -12.385 23.894 1.00 50.78 C ATOM 1254 CG PHE A 156 0.445 -11.164 23.338 1.00 47.65 C ATOM 1255 CD1 PHE A 156 -0.102 -10.475 22.260 1.00 51.98 C ATOM 1256 CD2 PHE A 156 1.640 -10.712 23.883 1.00 48.48 C ATOM 1257 CE1 PHE A 156 0.527 -9.356 21.744 1.00 51.95 C ATOM 1258 CE2 PHE A 156 2.273 -9.594 23.376 1.00 43.96 C ATOM 1259 CZ PHE A 156 1.720 -8.915 22.305 1.00 48.22 C ATOM 1260 H PHE A 156 -1.501 -14.239 25.121 1.00 0.00 H ATOM 1261 N GLU A 157 -3.275 -11.692 23.743 1.00 53.09 N ATOM 1262 CA GLU A 157 -4.314 -10.840 23.175 1.00 60.30 C ATOM 1263 C GLU A 157 -5.248 -10.282 24.247 1.00 56.24 C ATOM 1264 O GLU A 157 -5.849 -9.220 24.045 1.00 57.49 O ATOM 1265 CB GLU A 157 -5.103 -11.609 22.115 1.00 68.46 C ATOM 1266 CG GLU A 157 -4.335 -11.831 20.800 1.00 82.22 C ATOM 1267 CD GLU A 157 -3.997 -10.537 20.052 1.00 84.00 C ATOM 1268 OE1 GLU A 157 -4.896 -9.689 19.862 1.00 87.01 O ATOM 1269 OE2 GLU A 157 -2.826 -10.374 19.642 1.00 79.76 O ATOM 1270 H GLU A 157 -3.250 -12.706 23.515 1.00 0.00 H ATOM 1271 N ALA A 158 -5.429 -11.000 25.355 1.00 56.07 N ATOM 1272 CA ALA A 158 -6.230 -10.545 26.488 1.00 57.07 C ATOM 1273 C ALA A 158 -5.458 -9.681 27.487 1.00 54.73 C ATOM 1274 O ALA A 158 -6.017 -9.310 28.526 1.00 55.65 O ATOM 1275 CB ALA A 158 -6.836 -11.756 27.215 1.00 58.63 C ATOM 1276 H ALA A 158 -4.976 -11.934 25.416 1.00 0.00 H ATOM 1277 N ARG A 159 -4.192 -9.363 27.212 1.00 56.71 N ATOM 1278 CA ARG A 159 -3.363 -8.577 28.132 1.00 54.26 C ATOM 1279 C ARG A 159 -3.168 -9.279 29.479 1.00 57.43 C ATOM 1280 O ARG A 159 -3.139 -8.635 30.531 1.00 60.15 O ATOM 1281 CB ARG A 159 -3.958 -7.182 28.337 1.00 58.05 C ATOM 1282 CG ARG A 159 -3.579 -6.167 27.282 1.00 61.33 C ATOM 1283 CD ARG A 159 -4.008 -6.613 25.896 1.00 62.99 C ATOM 1284 NE ARG A 159 -3.758 -5.560 24.917 1.00 66.10 N ATOM 1285 CZ ARG A 159 -3.874 -5.712 23.605 1.00 80.13 C ATOM 1286 NH1 ARG A 159 -4.211 -6.892 23.107 1.00 81.31 N ATOM 1287 NH2 ARG A 159 -3.627 -4.690 22.795 1.00 97.72 N ATOM 1288 HE ARG A 159 -3.469 -4.626 25.273 1.00 0.00 H ATOM 1289 HH12 ARG A 159 -4.303 -7.015 22.078 1.00 0.00 H ATOM 1290 HH11 ARG A 159 -4.384 -7.695 23.744 1.00 0.00 H ATOM 1291 HH22 ARG A 159 -3.718 -4.808 21.766 1.00 0.00 H ATOM 1292 HH21 ARG A 159 -3.343 -3.771 23.190 1.00 0.00 H ATOM 1293 H ARG A 159 -3.778 -9.684 26.313 1.00 0.00 H ATOM 1294 N HIS A 160 -3.012 -10.603 29.453 1.00 49.18 N ATOM 1295 CA HIS A 160 -2.627 -11.381 30.640 1.00 55.33 C ATOM 1296 C HIS A 160 -1.264 -12.060 30.419 1.00 56.00 C ATOM 1297 O HIS A 160 -1.169 -13.286 30.297 1.00 57.98 O ATOM 1298 CB HIS A 160 -3.719 -12.411 30.974 1.00 62.49 C ATOM 1299 CG HIS A 160 -5.064 -11.809 31.244 1.00 65.87 C ATOM 1300 ND1 HIS A 160 -5.224 -10.592 31.870 1.00 65.44 N ATOM 1301 CD2 HIS A 160 -6.312 -12.260 30.974 1.00 65.96 C ATOM 1302 CE1 HIS A 160 -6.512 -10.321 31.981 1.00 67.71 C ATOM 1303 NE2 HIS A 160 -7.194 -11.315 31.441 1.00 69.27 N ATOM 1304 H HIS A 160 -3.169 -11.106 28.556 1.00 0.00 H ATOM 1305 N VAL A 161 -0.189 -11.272 30.428 1.00 49.56 N ATOM 1306 CA VAL A 161 1.143 -11.835 30.210 1.00 50.51 C ATOM 1307 C VAL A 161 1.613 -12.570 31.463 1.00 51.48 C ATOM 1308 O VAL A 161 1.111 -12.358 32.568 1.00 47.42 O ATOM 1309 CB VAL A 161 2.150 -10.746 29.793 1.00 52.28 C ATOM 1310 CG1 VAL A 161 1.648 -10.004 28.562 1.00 51.24 C ATOM 1311 CG2 VAL A 161 2.412 -9.776 30.944 1.00 60.09 C ATOM 1312 H VAL A 161 -0.298 -10.251 30.591 1.00 0.00 H ATOM 1313 N LYS A 162 2.582 -13.473 31.280 1.00 39.80 N ATOM 1314 CA LYS A 162 3.140 -14.262 32.377 1.00 43.74 C ATOM 1315 C LYS A 162 4.519 -13.696 32.701 1.00 43.81 C ATOM 1316 O LYS A 162 5.456 -13.835 31.906 1.00 42.79 O ATOM 1317 CB LYS A 162 3.223 -15.747 32.026 1.00 41.69 C ATOM 1318 CG LYS A 162 1.899 -16.358 31.573 1.00 52.64 C ATOM 1319 CD LYS A 162 0.818 -16.233 32.640 1.00 64.29 C ATOM 1320 CE LYS A 162 -0.487 -16.896 32.203 1.00 72.80 C ATOM 1321 NZ LYS A 162 -1.639 -16.490 33.075 1.00 65.66 N ATOM 1322 HZ1 LYS A 162 -1.444 -16.769 34.058 1.00 0.00 H ATOM 1323 HZ2 LYS A 162 -1.764 -15.459 33.025 1.00 0.00 H ATOM 1324 HZ3 LYS A 162 -2.505 -16.962 32.745 1.00 0.00 H ATOM 1325 H LYS A 162 2.953 -13.620 30.320 1.00 0.00 H ATOM 1326 N LEU A 163 4.645 -13.051 33.855 1.00 50.86 N ATOM 1327 CA LEU A 163 5.894 -12.405 34.241 1.00 43.27 C ATOM 1328 C LEU A 163 6.782 -13.415 34.958 1.00 41.40 C ATOM 1329 O LEU A 163 6.373 -13.988 35.975 1.00 43.01 O ATOM 1330 CB LEU A 163 5.621 -11.198 35.137 1.00 46.22 C ATOM 1331 CG LEU A 163 6.834 -10.333 35.478 1.00 45.12 C ATOM 1332 CD1 LEU A 163 7.410 -9.806 34.190 1.00 46.24 C ATOM 1333 CD2 LEU A 163 6.466 -9.182 36.409 1.00 48.58 C ATOM 1334 H LEU A 163 3.831 -13.005 34.501 1.00 0.00 H ATOM 1335 N ASN A 164 7.980 -13.645 34.416 1.00 38.90 N ATOM 1336 CA ASN A 164 8.954 -14.563 34.991 1.00 37.81 C ATOM 1337 C ASN A 164 9.962 -13.775 35.822 1.00 36.11 C ATOM 1338 O ASN A 164 10.243 -12.608 35.538 1.00 34.91 O ATOM 1339 CB ASN A 164 9.709 -15.337 33.905 1.00 36.20 C ATOM 1340 CG ASN A 164 8.812 -16.265 33.112 1.00 38.08 C ATOM 1341 OD1 ASN A 164 8.521 -17.375 33.547 1.00 39.74 O ATOM 1342 ND2 ASN A 164 8.372 -15.813 31.937 1.00 38.68 N ATOM 1343 HD22 ASN A 164 8.645 -14.865 31.609 1.00 0.00 H ATOM 1344 HD21 ASN A 164 7.756 -16.409 31.348 1.00 0.00 H ATOM 1345 H ASN A 164 8.230 -13.144 33.540 1.00 0.00 H ATOM 1346 N VAL A 165 10.529 -14.432 36.832 1.00 36.23 N ATOM 1347 CA VAL A 165 11.556 -13.844 37.680 1.00 34.89 C ATOM 1348 C VAL A 165 12.722 -14.820 37.733 1.00 40.18 C ATOM 1349 O VAL A 165 12.529 -16.006 38.022 1.00 35.26 O ATOM 1350 CB VAL A 165 11.046 -13.550 39.103 1.00 37.05 C ATOM 1351 CG1 VAL A 165 12.116 -12.830 39.896 1.00 38.03 C ATOM 1352 CG2 VAL A 165 9.746 -12.740 39.063 1.00 45.67 C ATOM 1353 H VAL A 165 10.225 -15.408 37.023 1.00 0.00 H ATOM 1354 N GLU A 166 13.920 -14.328 37.430 1.00 35.56 N ATOM 1355 CA GLU A 166 15.136 -15.125 37.495 1.00 31.28 C ATOM 1356 C GLU A 166 16.222 -14.284 38.134 1.00 39.21 C ATOM 1357 O GLU A 166 16.421 -13.126 37.754 1.00 35.23 O ATOM 1358 CB GLU A 166 15.583 -15.577 36.107 1.00 30.86 C ATOM 1359 CG GLU A 166 14.738 -16.684 35.504 1.00 37.68 C ATOM 1360 CD GLU A 166 14.826 -17.990 36.276 1.00 42.61 C ATOM 1361 OE1 GLU A 166 15.879 -18.257 36.892 1.00 35.89 O ATOM 1362 OE2 GLU A 166 13.841 -18.757 36.254 1.00 41.60 O ATOM 1363 H GLU A 166 13.991 -13.333 37.135 1.00 0.00 H ATOM 1364 N GLU A 167 16.935 -14.875 39.077 1.00 35.12 N ATOM 1365 CA GLU A 167 17.994 -14.192 39.798 1.00 32.50 C ATOM 1366 C GLU A 167 19.289 -14.978 39.655 1.00 30.74 C ATOM 1367 O GLU A 167 19.288 -16.214 39.696 1.00 29.62 O ATOM 1368 CB GLU A 167 17.638 -14.023 41.275 1.00 38.50 C ATOM 1369 CG GLU A 167 18.557 -13.074 42.022 1.00 45.51 C ATOM 1370 CD GLU A 167 17.949 -12.573 43.319 1.00 54.47 C ATOM 1371 OE1 GLU A 167 16.830 -13.000 43.664 1.00 64.44 O ATOM 1372 OE2 GLU A 167 18.605 -11.778 44.016 1.00 56.47 O ATOM 1373 H GLU A 167 16.730 -15.867 39.311 1.00 0.00 H ATOM 1374 N ARG A 168 20.383 -14.246 39.464 1.00 27.99 N ATOM 1375 CA ARG A 168 21.724 -14.808 39.445 1.00 29.08 C ATOM 1376 C ARG A 168 22.644 -13.887 40.232 1.00 35.75 C ATOM 1377 O ARG A 168 22.368 -12.695 40.367 1.00 36.49 O ATOM 1378 CB ARG A 168 22.255 -14.940 38.017 1.00 29.20 C ATOM 1379 CG ARG A 168 21.405 -15.803 37.105 1.00 31.97 C ATOM 1380 CD ARG A 168 21.446 -17.290 37.502 1.00 28.80 C ATOM 1381 NE ARG A 168 20.744 -18.089 36.506 1.00 31.85 N ATOM 1382 CZ ARG A 168 19.426 -18.264 36.455 1.00 36.81 C ATOM 1383 NH1 ARG A 168 18.616 -17.730 37.369 1.00 36.41 N ATOM 1384 NH2 ARG A 168 18.922 -18.994 35.475 1.00 36.33 N ATOM 1385 HE ARG A 168 21.318 -18.559 35.778 1.00 0.00 H ATOM 1386 HH12 ARG A 168 17.589 -17.882 37.306 1.00 0.00 H ATOM 1387 HH11 ARG A 168 19.011 -17.161 38.145 1.00 0.00 H ATOM 1388 HH22 ARG A 168 17.895 -19.145 35.414 1.00 0.00 H ATOM 1389 HH21 ARG A 168 19.553 -19.417 34.765 1.00 0.00 H ATOM 1390 H ARG A 168 20.274 -13.222 39.321 1.00 0.00 H ATOM 1391 N SER A 169 23.750 -14.424 40.745 1.00 27.88 N ATOM 1392 CA SER A 169 24.754 -13.562 41.360 1.00 27.85 C ATOM 1393 C SER A 169 26.140 -13.865 40.797 1.00 28.28 C ATOM 1394 O SER A 169 26.421 -14.978 40.342 1.00 31.09 O ATOM 1395 CB SER A 169 24.756 -13.682 42.895 1.00 29.22 C ATOM 1396 OG SER A 169 25.190 -14.941 43.359 1.00 33.05 O ATOM 1397 HG SER A 169 25.168 -14.952 44.349 1.00 0.00 H ATOM 1398 H SER A 169 23.897 -15.453 40.707 1.00 0.00 H ATOM 1399 N VAL A 170 27.022 -12.858 40.864 1.00 27.81 N ATOM 1400 CA VAL A 170 28.408 -12.997 40.435 1.00 30.92 C ATOM 1401 C VAL A 170 29.323 -12.241 41.389 1.00 31.18 C ATOM 1402 O VAL A 170 28.899 -11.353 42.129 1.00 28.97 O ATOM 1403 CB VAL A 170 28.649 -12.505 38.993 1.00 33.01 C ATOM 1404 CG1 VAL A 170 27.795 -13.275 38.006 1.00 40.43 C ATOM 1405 CG2 VAL A 170 28.360 -11.028 38.910 1.00 31.01 C ATOM 1406 H VAL A 170 26.705 -11.941 41.237 1.00 0.00 H ATOM 1407 N GLY A 171 30.584 -12.649 41.409 1.00 31.45 N ATOM 1408 CA GLY A 171 31.550 -11.976 42.232 1.00 31.78 C ATOM 1409 C GLY A 171 32.498 -12.990 42.821 1.00 33.93 C ATOM 1410 O GLY A 171 32.405 -14.191 42.561 1.00 35.90 O ATOM 1411 H GLY A 171 30.875 -13.460 40.826 1.00 0.00 H ATOM 1412 N PRO A 172 33.442 -12.525 43.625 1.00 38.53 N ATOM 1413 CA PRO A 172 33.581 -11.140 44.085 1.00 41.05 C ATOM 1414 C PRO A 172 34.044 -10.206 42.983 1.00 34.49 C ATOM 1415 O PRO A 172 34.964 -10.546 42.255 1.00 35.64 O ATOM 1416 CB PRO A 172 34.645 -11.244 45.179 1.00 45.37 C ATOM 1417 CG PRO A 172 35.512 -12.413 44.709 1.00 51.93 C ATOM 1418 CD PRO A 172 34.525 -13.397 44.116 1.00 48.83 C ATOM 1419 N LEU A 173 33.409 -9.046 42.872 1.00 33.13 N ATOM 1420 CA LEU A 173 33.882 -8.015 41.965 1.00 32.97 C ATOM 1421 C LEU A 173 35.159 -7.400 42.526 1.00 35.05 C ATOM 1422 O LEU A 173 35.351 -7.322 43.741 1.00 38.19 O ATOM 1423 CB LEU A 173 32.819 -6.935 41.807 1.00 31.33 C ATOM 1424 CG LEU A 173 31.436 -7.357 41.314 1.00 30.27 C ATOM 1425 CD1 LEU A 173 30.548 -6.103 41.246 1.00 31.98 C ATOM 1426 CD2 LEU A 173 31.487 -8.040 39.972 1.00 37.34 C ATOM 1427 H LEU A 173 32.558 -8.872 43.444 1.00 0.00 H ATOM 1428 N THR A 174 36.035 -6.957 41.625 1.00 35.97 N ATOM 1429 CA THR A 174 37.333 -6.420 42.006 1.00 38.41 C ATOM 1430 C THR A 174 37.709 -5.125 41.291 1.00 42.23 C ATOM 1431 O THR A 174 38.755 -4.555 41.616 1.00 47.01 O ATOM 1432 CB THR A 174 38.434 -7.459 41.730 1.00 43.36 C ATOM 1433 OG1 THR A 174 38.407 -7.789 40.333 1.00 42.01 O ATOM 1434 CG2 THR A 174 38.223 -8.735 42.581 1.00 46.20 C ATOM 1435 HG1 THR A 174 37.521 -8.164 40.101 1.00 0.00 H ATOM 1436 H THR A 174 35.783 -6.996 40.617 1.00 0.00 H ATOM 1437 N ARG A 175 36.942 -4.671 40.302 1.00 37.05 N ATOM 1438 CA ARG A 175 37.288 -3.466 39.555 1.00 37.68 C ATOM 1439 C ARG A 175 36.403 -2.312 40.036 1.00 36.49 C ATOM 1440 O ARG A 175 35.548 -2.479 40.906 1.00 35.33 O ATOM 1441 CB ARG A 175 37.157 -3.719 38.050 1.00 37.20 C ATOM 1442 CG ARG A 175 37.856 -5.004 37.579 1.00 41.54 C ATOM 1443 CD ARG A 175 39.378 -4.837 37.521 1.00 56.02 C ATOM 1444 NE ARG A 175 39.789 -4.211 36.268 1.00 70.06 N ATOM 1445 CZ ARG A 175 39.834 -4.838 35.095 1.00 79.08 C ATOM 1446 NH1 ARG A 175 39.501 -6.119 35.006 1.00 86.46 N ATOM 1447 NH2 ARG A 175 40.207 -4.182 34.005 1.00 84.12 N ATOM 1448 HE ARG A 175 40.065 -3.209 36.294 1.00 0.00 H ATOM 1449 HH12 ARG A 175 39.538 -6.603 34.086 1.00 0.00 H ATOM 1450 HH11 ARG A 175 39.203 -6.639 35.856 1.00 0.00 H ATOM 1451 HH22 ARG A 175 40.242 -4.673 33.089 1.00 0.00 H ATOM 1452 HH21 ARG A 175 40.465 -3.176 34.066 1.00 0.00 H ATOM 1453 H ARG A 175 36.074 -5.188 40.055 1.00 0.00 H ATOM 1454 N LYS A 176 36.604 -1.120 39.471 1.00 37.16 N ATOM 1455 CA LYS A 176 35.841 0.032 39.950 1.00 36.63 C ATOM 1456 C LYS A 176 34.352 -0.065 39.618 1.00 34.19 C ATOM 1457 O LYS A 176 33.521 0.497 40.347 1.00 36.94 O ATOM 1458 CB LYS A 176 36.402 1.330 39.368 1.00 42.24 C ATOM 1459 CG LYS A 176 37.860 1.592 39.726 1.00 57.31 C ATOM 1460 CD LYS A 176 38.031 1.887 41.210 1.00 89.11 C ATOM 1461 CE LYS A 176 39.465 2.282 41.531 1.00129.59 C ATOM 1462 NZ LYS A 176 39.682 2.417 42.999 1.00150.37 N ATOM 1463 HZ1 LYS A 176 39.047 3.149 43.376 1.00 0.00 H ATOM 1464 HZ2 LYS A 176 39.480 1.509 43.463 1.00 0.00 H ATOM 1465 HZ3 LYS A 176 40.670 2.687 43.179 1.00 0.00 H ATOM 1466 H LYS A 176 37.294 -1.012 38.700 1.00 0.00 H ATOM 1467 N GLY A 177 34.000 -0.715 38.511 1.00 35.50 N ATOM 1468 CA GLY A 177 32.621 -0.755 38.064 1.00 31.04 C ATOM 1469 C GLY A 177 32.334 -1.949 37.181 1.00 31.75 C ATOM 1470 O GLY A 177 33.189 -2.810 36.953 1.00 30.05 O ATOM 1471 H GLY A 177 34.730 -1.205 37.955 1.00 0.00 H ATOM 1472 N PHE A 178 31.087 -2.009 36.711 1.00 30.25 N ATOM 1473 CA PHE A 178 30.662 -3.114 35.867 1.00 27.10 C ATOM 1474 C PHE A 178 29.512 -2.686 34.967 1.00 31.55 C ATOM 1475 O PHE A 178 28.846 -1.666 35.188 1.00 28.94 O ATOM 1476 CB PHE A 178 30.227 -4.355 36.692 1.00 32.93 C ATOM 1477 CG PHE A 178 29.013 -4.106 37.527 1.00 27.04 C ATOM 1478 CD1 PHE A 178 29.146 -3.546 38.780 1.00 31.29 C ATOM 1479 CD2 PHE A 178 27.736 -4.390 37.048 1.00 28.59 C ATOM 1480 CE1 PHE A 178 28.042 -3.271 39.553 1.00 35.66 C ATOM 1481 CE2 PHE A 178 26.611 -4.113 37.823 1.00 35.20 C ATOM 1482 CZ PHE A 178 26.769 -3.550 39.077 1.00 28.89 C ATOM 1483 H PHE A 178 30.411 -1.256 36.951 1.00 0.00 H ATOM 1484 N TYR A 179 29.314 -3.501 33.933 1.00 29.48 N ATOM 1485 CA TYR A 179 28.165 -3.451 33.052 1.00 27.63 C ATOM 1486 C TYR A 179 27.459 -4.796 33.084 1.00 26.89 C ATOM 1487 O TYR A 179 28.108 -5.839 33.219 1.00 26.37 O ATOM 1488 CB TYR A 179 28.543 -3.220 31.585 1.00 27.42 C ATOM 1489 CG TYR A 179 29.315 -1.980 31.251 1.00 31.56 C ATOM 1490 CD1 TYR A 179 28.665 -0.773 31.027 1.00 26.06 C ATOM 1491 CD2 TYR A 179 30.693 -2.016 31.114 1.00 26.31 C ATOM 1492 CE1 TYR A 179 29.369 0.373 30.684 1.00 29.69 C ATOM 1493 CE2 TYR A 179 31.414 -0.863 30.781 1.00 35.10 C ATOM 1494 CZ TYR A 179 30.746 0.324 30.560 1.00 31.31 C ATOM 1495 OH TYR A 179 31.458 1.461 30.231 1.00 33.15 O ATOM 1496 HH TYR A 179 30.831 2.217 30.108 1.00 0.00 H ATOM 1497 H TYR A 179 30.036 -4.225 33.744 1.00 0.00 H ATOM 1498 N LEU A 180 26.143 -4.786 32.888 1.00 26.49 N ATOM 1499 CA LEU A 180 25.466 -5.997 32.445 1.00 26.66 C ATOM 1500 C LEU A 180 25.146 -5.901 30.955 1.00 30.18 C ATOM 1501 O LEU A 180 24.984 -4.808 30.411 1.00 25.53 O ATOM 1502 CB LEU A 180 24.174 -6.246 33.217 1.00 28.52 C ATOM 1503 CG LEU A 180 24.266 -6.277 34.740 1.00 31.59 C ATOM 1504 CD1 LEU A 180 22.872 -6.559 35.281 1.00 30.58 C ATOM 1505 CD2 LEU A 180 25.276 -7.308 35.193 1.00 27.44 C ATOM 1506 H LEU A 180 25.599 -3.915 33.051 1.00 0.00 H ATOM 1507 N ALA A 181 25.012 -7.057 30.303 1.00 26.37 N ATOM 1508 CA ALA A 181 24.553 -7.079 28.919 1.00 26.79 C ATOM 1509 C ALA A 181 23.602 -8.251 28.716 1.00 27.86 C ATOM 1510 O ALA A 181 23.652 -9.251 29.442 1.00 24.22 O ATOM 1511 CB ALA A 181 25.707 -7.169 27.909 1.00 25.36 C ATOM 1512 H ALA A 181 25.237 -7.950 30.786 1.00 0.00 H ATOM 1513 N PHE A 182 22.709 -8.085 27.736 1.00 27.85 N ATOM 1514 CA PHE A 182 21.676 -9.053 27.381 1.00 25.96 C ATOM 1515 C PHE A 182 21.778 -9.343 25.890 1.00 30.02 C ATOM 1516 O PHE A 182 21.829 -8.417 25.072 1.00 27.92 O ATOM 1517 CB PHE A 182 20.287 -8.508 27.757 1.00 27.46 C ATOM 1518 CG PHE A 182 20.213 -8.016 29.177 1.00 23.90 C ATOM 1519 CD1 PHE A 182 20.533 -6.702 29.482 1.00 29.70 C ATOM 1520 CD2 PHE A 182 19.884 -8.876 30.204 1.00 28.66 C ATOM 1521 CE1 PHE A 182 20.491 -6.253 30.776 1.00 29.14 C ATOM 1522 CE2 PHE A 182 19.853 -8.438 31.502 1.00 28.16 C ATOM 1523 CZ PHE A 182 20.163 -7.126 31.792 1.00 26.74 C ATOM 1524 H PHE A 182 22.753 -7.203 27.187 1.00 0.00 H ATOM 1525 N GLN A 183 21.837 -10.622 25.541 1.00 26.69 N ATOM 1526 CA GLN A 183 21.948 -11.041 24.150 1.00 25.69 C ATOM 1527 C GLN A 183 20.675 -11.757 23.742 1.00 26.22 C ATOM 1528 O GLN A 183 20.290 -12.753 24.367 1.00 29.13 O ATOM 1529 CB GLN A 183 23.146 -11.962 23.921 1.00 25.10 C ATOM 1530 CG GLN A 183 23.253 -12.518 22.490 1.00 30.20 C ATOM 1531 CD GLN A 183 24.251 -13.662 22.403 1.00 28.63 C ATOM 1532 OE1 GLN A 183 24.440 -14.406 23.367 1.00 32.06 O ATOM 1533 NE2 GLN A 183 24.904 -13.799 21.253 1.00 32.16 N ATOM 1534 HE22 GLN A 183 24.712 -13.148 20.465 1.00 0.00 H ATOM 1535 HE21 GLN A 183 25.607 -14.558 21.141 1.00 0.00 H ATOM 1536 H GLN A 183 21.803 -11.349 26.284 1.00 0.00 H ATOM 1537 N ASP A 184 20.044 -11.259 22.689 1.00 29.17 N ATOM 1538 CA ASP A 184 18.902 -11.919 22.082 1.00 30.65 C ATOM 1539 C ASP A 184 19.372 -12.663 20.840 1.00 30.11 C ATOM 1540 O ASP A 184 20.070 -12.086 20.000 1.00 30.10 O ATOM 1541 CB ASP A 184 17.824 -10.921 21.683 1.00 29.73 C ATOM 1542 CG ASP A 184 16.868 -11.504 20.676 1.00 38.18 C ATOM 1543 OD1 ASP A 184 16.183 -12.487 21.024 1.00 36.81 O ATOM 1544 OD2 ASP A 184 16.833 -11.008 19.529 1.00 37.39 O ATOM 1545 H ASP A 184 20.379 -10.362 22.282 1.00 0.00 H ATOM 1546 N ILE A 185 18.945 -13.919 20.705 1.00 33.71 N ATOM 1547 CA ILE A 185 19.310 -14.777 19.587 1.00 39.15 C ATOM 1548 C ILE A 185 18.100 -15.167 18.748 1.00 48.01 C ATOM 1549 O ILE A 185 18.176 -16.112 17.957 1.00 39.82 O ATOM 1550 CB ILE A 185 20.041 -16.036 20.091 1.00 44.22 C ATOM 1551 CG1 ILE A 185 19.126 -16.801 21.053 1.00 43.76 C ATOM 1552 CG2 ILE A 185 21.352 -15.637 20.755 1.00 45.26 C ATOM 1553 CD1 ILE A 185 19.605 -18.223 21.357 1.00 49.96 C ATOM 1554 H ILE A 185 18.317 -14.307 21.438 1.00 0.00 H ATOM 1555 N GLY A 186 16.974 -14.482 18.931 1.00 35.70 N ATOM 1556 CA GLY A 186 15.808 -14.709 18.107 1.00 38.64 C ATOM 1557 C GLY A 186 14.581 -15.103 18.902 1.00 38.76 C ATOM 1558 O GLY A 186 13.776 -15.915 18.437 1.00 41.83 O ATOM 1559 H GLY A 186 16.932 -13.766 19.685 1.00 0.00 H ATOM 1560 N ALA A 187 14.427 -14.543 20.098 1.00 35.51 N ATOM 1561 CA ALA A 187 13.252 -14.774 20.928 1.00 41.65 C ATOM 1562 C ALA A 187 12.320 -13.563 20.881 1.00 37.52 C ATOM 1563 O ALA A 187 12.668 -12.491 20.385 1.00 37.06 O ATOM 1564 CB ALA A 187 13.667 -15.079 22.372 1.00 36.65 C ATOM 1565 H ALA A 187 15.175 -13.915 20.455 1.00 0.00 H ATOM 1566 N CYS A 188 11.116 -13.739 21.411 1.00 37.63 N ATOM 1567 CA CYS A 188 10.143 -12.647 21.519 1.00 38.08 C ATOM 1568 C CYS A 188 10.061 -12.302 23.005 1.00 33.43 C ATOM 1569 O CYS A 188 9.211 -12.822 23.732 1.00 35.78 O ATOM 1570 CB CYS A 188 8.794 -13.042 20.942 1.00 41.72 C ATOM 1571 SG CYS A 188 7.672 -11.652 20.617 1.00 41.83 S ATOM 1572 H CYS A 188 10.854 -14.682 21.761 1.00 0.00 H ATOM 1573 N VAL A 189 10.928 -11.383 23.438 1.00 32.19 N ATOM 1574 CA VAL A 189 11.221 -11.175 24.851 1.00 33.23 C ATOM 1575 C VAL A 189 11.020 -9.716 25.226 1.00 38.32 C ATOM 1576 O VAL A 189 11.426 -8.812 24.485 1.00 32.16 O ATOM 1577 CB VAL A 189 12.667 -11.593 25.197 1.00 32.34 C ATOM 1578 CG1 VAL A 189 12.947 -11.377 26.681 1.00 32.56 C ATOM 1579 CG2 VAL A 189 12.917 -13.027 24.818 1.00 31.90 C ATOM 1580 H VAL A 189 11.415 -10.790 22.737 1.00 0.00 H ATOM 1581 N ALA A 190 10.396 -9.493 26.384 1.00 31.18 N ATOM 1582 CA ALA A 190 10.307 -8.185 27.010 1.00 33.85 C ATOM 1583 C ALA A 190 10.981 -8.275 28.373 1.00 31.12 C ATOM 1584 O ALA A 190 10.605 -9.108 29.211 1.00 33.79 O ATOM 1585 CB ALA A 190 8.857 -7.707 27.163 1.00 34.27 C ATOM 1586 H ALA A 190 9.949 -10.300 26.865 1.00 0.00 H ATOM 1587 N LEU A 191 11.940 -7.390 28.591 1.00 28.83 N ATOM 1588 CA LEU A 191 12.684 -7.263 29.836 1.00 32.91 C ATOM 1589 C LEU A 191 12.148 -6.056 30.597 1.00 29.62 C ATOM 1590 O LEU A 191 12.426 -4.911 30.224 1.00 35.60 O ATOM 1591 CB LEU A 191 14.166 -7.097 29.509 1.00 29.84 C ATOM 1592 CG LEU A 191 15.192 -7.088 30.629 1.00 34.55 C ATOM 1593 CD1 LEU A 191 15.155 -8.387 31.424 1.00 35.84 C ATOM 1594 CD2 LEU A 191 16.583 -6.833 30.074 1.00 35.14 C ATOM 1595 H LEU A 191 12.180 -6.738 27.817 1.00 0.00 H ATOM 1596 N LEU A 192 11.424 -6.317 31.693 1.00 29.35 N ATOM 1597 CA LEU A 192 10.691 -5.283 32.415 1.00 30.68 C ATOM 1598 C LEU A 192 11.369 -4.789 33.687 1.00 32.95 C ATOM 1599 O LEU A 192 11.073 -3.669 34.126 1.00 34.53 O ATOM 1600 CB LEU A 192 9.298 -5.803 32.799 1.00 32.53 C ATOM 1601 CG LEU A 192 8.197 -5.615 31.764 1.00 43.60 C ATOM 1602 CD1 LEU A 192 8.465 -6.532 30.593 1.00 40.24 C ATOM 1603 CD2 LEU A 192 6.858 -5.921 32.385 1.00 57.79 C ATOM 1604 H LEU A 192 11.383 -7.295 32.043 1.00 0.00 H ATOM 1605 N SER A 193 12.238 -5.590 34.297 1.00 32.95 N ATOM 1606 CA SER A 193 12.891 -5.196 35.534 1.00 31.76 C ATOM 1607 C SER A 193 14.306 -5.753 35.543 1.00 31.87 C ATOM 1608 O SER A 193 14.544 -6.897 35.144 1.00 30.44 O ATOM 1609 CB SER A 193 12.102 -5.688 36.761 1.00 36.77 C ATOM 1610 OG SER A 193 12.594 -5.087 37.947 1.00 35.45 O ATOM 1611 HG SER A 193 12.502 -4.104 37.880 1.00 0.00 H ATOM 1612 H SER A 193 12.455 -6.518 33.880 1.00 0.00 H ATOM 1613 N VAL A 194 15.252 -4.911 35.939 1.00 29.59 N ATOM 1614 CA VAL A 194 16.640 -5.312 36.144 1.00 29.78 C ATOM 1615 C VAL A 194 17.048 -4.583 37.417 1.00 35.83 C ATOM 1616 O VAL A 194 17.195 -3.355 37.408 1.00 32.60 O ATOM 1617 CB VAL A 194 17.568 -4.931 34.983 1.00 32.27 C ATOM 1618 CG1 VAL A 194 18.991 -5.425 35.285 1.00 29.55 C ATOM 1619 CG2 VAL A 194 17.113 -5.511 33.642 1.00 28.80 C ATOM 1620 H VAL A 194 14.992 -3.919 36.111 1.00 0.00 H ATOM 1621 N ARG A 195 17.211 -5.326 38.508 1.00 29.80 N ATOM 1622 CA ARG A 195 17.535 -4.798 39.826 1.00 31.31 C ATOM 1623 C ARG A 195 18.831 -5.462 40.260 1.00 35.52 C ATOM 1624 O ARG A 195 18.898 -6.692 40.327 1.00 32.48 O ATOM 1625 CB ARG A 195 16.408 -5.120 40.813 1.00 40.32 C ATOM 1626 CG ARG A 195 16.438 -4.382 42.129 1.00 50.50 C ATOM 1627 CD ARG A 195 15.139 -4.599 42.944 1.00 46.98 C ATOM 1628 NE ARG A 195 15.434 -4.566 44.376 1.00 59.48 N ATOM 1629 CZ ARG A 195 15.696 -5.643 45.113 1.00 77.57 C ATOM 1630 NH1 ARG A 195 15.692 -6.851 44.560 1.00 87.14 N ATOM 1631 NH2 ARG A 195 15.974 -5.513 46.403 1.00 83.62 N ATOM 1632 HE ARG A 195 15.439 -3.640 44.850 1.00 0.00 H ATOM 1633 HH12 ARG A 195 15.897 -7.689 45.140 1.00 0.00 H ATOM 1634 HH11 ARG A 195 15.484 -6.958 43.547 1.00 0.00 H ATOM 1635 HH22 ARG A 195 16.179 -6.355 46.978 1.00 0.00 H ATOM 1636 HH21 ARG A 195 15.987 -4.569 46.840 1.00 0.00 H ATOM 1637 H ARG A 195 17.099 -6.356 38.413 1.00 0.00 H ATOM 1638 N VAL A 196 19.852 -4.661 40.548 1.00 29.07 N ATOM 1639 CA VAL A 196 21.143 -5.167 41.006 1.00 30.16 C ATOM 1640 C VAL A 196 21.391 -4.607 42.397 1.00 28.90 C ATOM 1641 O VAL A 196 21.285 -3.392 42.614 1.00 31.31 O ATOM 1642 CB VAL A 196 22.283 -4.780 40.044 1.00 28.61 C ATOM 1643 CG1 VAL A 196 23.610 -5.353 40.509 1.00 28.41 C ATOM 1644 CG2 VAL A 196 21.946 -5.224 38.622 1.00 30.60 C ATOM 1645 H VAL A 196 19.726 -3.634 40.443 1.00 0.00 H ATOM 1646 N TYR A 197 21.727 -5.484 43.335 1.00 27.66 N ATOM 1647 CA TYR A 197 21.903 -5.067 44.716 1.00 30.29 C ATOM 1648 C TYR A 197 23.034 -5.884 45.314 1.00 32.47 C ATOM 1649 O TYR A 197 23.441 -6.911 44.768 1.00 30.89 O ATOM 1650 CB TYR A 197 20.609 -5.241 45.543 1.00 35.23 C ATOM 1651 CG TYR A 197 20.122 -6.669 45.699 1.00 36.50 C ATOM 1652 CD1 TYR A 197 19.328 -7.269 44.724 1.00 36.59 C ATOM 1653 CD2 TYR A 197 20.423 -7.406 46.840 1.00 39.04 C ATOM 1654 CE1 TYR A 197 18.877 -8.587 44.866 1.00 37.41 C ATOM 1655 CE2 TYR A 197 19.969 -8.715 46.996 1.00 37.76 C ATOM 1656 CZ TYR A 197 19.204 -9.303 46.003 1.00 33.63 C ATOM 1657 OH TYR A 197 18.755 -10.600 46.156 1.00 39.17 O ATOM 1658 HH TYR A 197 18.228 -10.861 45.360 1.00 0.00 H ATOM 1659 H TYR A 197 21.866 -6.482 43.078 1.00 0.00 H ATOM 1660 N TYR A 198 23.544 -5.413 46.441 1.00 32.40 N ATOM 1661 CA TYR A 198 24.487 -6.183 47.232 1.00 35.26 C ATOM 1662 C TYR A 198 24.023 -6.140 48.677 1.00 32.55 C ATOM 1663 O TYR A 198 23.142 -5.360 49.049 1.00 34.27 O ATOM 1664 CB TYR A 198 25.916 -5.673 47.054 1.00 30.35 C ATOM 1665 CG TYR A 198 26.240 -4.335 47.674 1.00 34.19 C ATOM 1666 CD1 TYR A 198 26.074 -3.147 46.967 1.00 33.40 C ATOM 1667 CD2 TYR A 198 26.765 -4.262 48.956 1.00 38.27 C ATOM 1668 CE1 TYR A 198 26.415 -1.923 47.531 1.00 35.32 C ATOM 1669 CE2 TYR A 198 27.096 -3.050 49.525 1.00 39.37 C ATOM 1670 CZ TYR A 198 26.923 -1.884 48.812 1.00 45.86 C ATOM 1671 OH TYR A 198 27.260 -0.683 49.394 1.00 43.61 O ATOM 1672 HH TYR A 198 27.078 0.053 48.758 1.00 0.00 H ATOM 1673 H TYR A 198 23.262 -4.467 46.768 1.00 0.00 H ATOM 1674 N LYS A 199 24.587 -7.036 49.476 1.00 33.11 N ATOM 1675 CA LYS A 199 24.264 -7.146 50.889 1.00 35.21 C ATOM 1676 C LYS A 199 25.341 -6.437 51.699 1.00 39.82 C ATOM 1677 O LYS A 199 26.528 -6.757 51.572 1.00 36.94 O ATOM 1678 CB LYS A 199 24.187 -8.613 51.314 1.00 37.69 C ATOM 1679 CG LYS A 199 23.214 -9.480 50.528 1.00 40.60 C ATOM 1680 CD LYS A 199 23.340 -10.956 50.964 1.00 48.37 C ATOM 1681 CE LYS A 199 22.183 -11.825 50.466 1.00 55.32 C ATOM 1682 NZ LYS A 199 20.853 -11.465 51.019 1.00 59.62 N ATOM 1683 HZ1 LYS A 199 20.873 -11.556 52.055 1.00 0.00 H ATOM 1684 HZ2 LYS A 199 20.625 -10.484 50.760 1.00 0.00 H ATOM 1685 HZ3 LYS A 199 20.132 -12.104 50.628 1.00 0.00 H ATOM 1686 H LYS A 199 25.291 -7.688 49.074 1.00 0.00 H ATOM 1687 N LYS A 200 24.928 -5.499 52.549 1.00 41.52 N ATOM 1688 CA LYS A 200 25.890 -4.807 53.394 1.00 44.67 C ATOM 1689 C LYS A 200 26.596 -5.785 54.328 1.00 46.85 C ATOM 1690 O LYS A 200 26.039 -6.807 54.740 1.00 48.88 O ATOM 1691 CB LYS A 200 25.209 -3.701 54.205 1.00 56.64 C ATOM 1692 CG LYS A 200 25.043 -2.408 53.420 1.00 70.07 C ATOM 1693 CD LYS A 200 24.578 -1.231 54.282 1.00 82.31 C ATOM 1694 CE LYS A 200 23.072 -1.228 54.508 1.00 85.16 C ATOM 1695 NZ LYS A 200 22.623 -0.028 55.278 1.00 81.41 N ATOM 1696 HZ1 LYS A 200 23.091 -0.018 56.207 1.00 0.00 H ATOM 1697 HZ2 LYS A 200 22.875 0.834 54.753 1.00 0.00 H ATOM 1698 HZ3 LYS A 200 21.592 -0.067 55.409 1.00 0.00 H ATOM 1699 H LYS A 200 23.917 -5.261 52.609 1.00 0.00 H ATOM 1700 N ALA A 201 27.835 -5.448 54.678 1.00 46.99 N ATOM 1701 CA ALA A 201 28.636 -6.329 55.512 1.00 48.15 C ATOM 1702 C ALA A 201 27.903 -6.622 56.814 1.00 54.93 C ATOM 1703 O ALA A 201 27.307 -5.732 57.424 1.00 48.79 O ATOM 1704 CB ALA A 201 29.988 -5.678 55.807 1.00 47.57 C ATOM 1705 H ALA A 201 28.234 -4.545 54.351 1.00 0.00 H ATOM 1706 N HIS A 202 27.960 -7.878 57.247 1.00 50.62 N ATOM 1707 CA HIS A 202 27.295 -8.283 58.476 1.00 59.90 C ATOM 1708 C HIS A 202 28.084 -7.792 59.679 1.00 64.65 C ATOM 1709 O HIS A 202 29.312 -7.907 59.718 1.00 58.99 O ATOM 1710 CB HIS A 202 27.160 -9.805 58.539 1.00 51.65 C ATOM 1711 CG HIS A 202 26.505 -10.304 59.792 1.00 51.78 C ATOM 1712 ND1 HIS A 202 25.162 -10.603 59.859 1.00 56.70 N ATOM 1713 CD2 HIS A 202 27.008 -10.557 61.024 1.00 57.05 C ATOM 1714 CE1 HIS A 202 24.864 -11.019 61.077 1.00 55.17 C ATOM 1715 NE2 HIS A 202 25.966 -10.998 61.805 1.00 58.82 N ATOM 1716 H HIS A 202 28.490 -8.584 56.697 1.00 0.00 H ATOM 1717 N HIS A 203 27.378 -7.264 60.672 1.00 63.72 N ATOM 1718 CA HIS A 203 28.014 -6.757 61.879 1.00 80.42 C ATOM 1719 C HIS A 203 27.467 -7.480 63.101 1.00 94.53 C ATOM 1720 O HIS A 203 26.297 -7.872 63.140 1.00 71.87 O ATOM 1721 CB HIS A 203 27.811 -5.243 62.007 1.00 94.93 C ATOM 1722 CG HIS A 203 28.644 -4.449 61.048 1.00111.58 C ATOM 1723 ND1 HIS A 203 29.835 -4.921 60.539 1.00114.84 N ATOM 1724 CD2 HIS A 203 28.460 -3.225 60.500 1.00117.71 C ATOM 1725 CE1 HIS A 203 30.350 -4.020 59.722 1.00116.93 C ATOM 1726 NE2 HIS A 203 29.535 -2.982 59.681 1.00116.17 N ATOM 1727 H HIS A 203 26.343 -7.211 60.585 1.00 0.00 H ATOM 1728 N HIS A 204 28.336 -7.656 64.096 1.00118.86 N ATOM 1729 CA HIS A 204 27.973 -8.268 65.374 1.00133.82 C ATOM 1730 C HIS A 204 27.495 -7.184 66.333 1.00111.24 C ATOM 1731 O HIS A 204 28.300 -6.506 66.976 1.00 98.46 O ATOM 1732 CB HIS A 204 29.154 -9.056 65.935 1.00165.00 C ATOM 1733 CG HIS A 204 30.415 -8.256 66.057 1.00200.88 C ATOM 1734 ND1 HIS A 204 30.772 -7.593 67.212 1.00215.68 N ATOM 1735 CD2 HIS A 204 31.399 -8.006 65.161 1.00213.32 C ATOM 1736 CE1 HIS A 204 31.923 -6.973 67.023 1.00220.84 C ATOM 1737 NE2 HIS A 204 32.325 -7.207 65.786 1.00214.20 N ATOM 1738 H HIS A 204 29.318 -7.344 63.957 1.00 0.00 H ATOM 1739 N HIS A 205 26.178 -7.035 66.436 1.00103.86 N ATOM 1740 CA HIS A 205 25.560 -6.004 67.261 1.00124.96 C ATOM 1741 C HIS A 205 26.164 -5.941 68.660 1.00137.31 C ATOM 1742 O HIS A 205 25.455 -5.735 69.648 1.00144.25 O ATOM 1743 CB HIS A 205 24.055 -6.270 67.369 1.00146.34 C ATOM 1744 CG HIS A 205 23.726 -7.669 67.796 1.00175.39 C ATOM 1745 ND1 HIS A 205 24.136 -8.779 67.087 1.00189.99 N ATOM 1746 CD2 HIS A 205 23.041 -8.141 68.864 1.00186.78 C ATOM 1747 CE1 HIS A 205 23.716 -9.871 67.697 1.00190.28 C ATOM 1748 NE2 HIS A 205 23.046 -9.512 68.777 1.00184.25 N ATOM 1749 H HIS A 205 25.561 -7.682 65.905 1.00 0.00 H TER 1750 HIS A 205 HETATM 1751 O HOH 1 28.102 -0.655 52.134 1.00 52.91 O HETATM 1752 O HOH 2 37.350 -9.333 39.125 1.00 51.04 O HETATM 1753 O HOH 3 32.009 -10.742 50.735 1.00 45.32 O HETATM 1754 O HOH 4 12.448 -11.153 12.123 1.00 47.67 O HETATM 1755 O HOH 5 14.501 -13.041 43.020 1.00 56.11 O HETATM 1756 O HOH 6 36.973 4.685 37.425 1.00 38.35 O HETATM 1757 O HOH 7 23.369 -22.793 32.156 1.00 57.17 O HETATM 1758 O HOH 8 27.436 2.763 42.848 1.00 42.68 O HETATM 1759 O HOH 9 -3.488 -18.972 22.797 1.00 50.02 O HETATM 1760 O HOH 10 34.507 -10.449 31.235 1.00 37.55 O HETATM 1761 O HOH 11 30.958 -1.653 27.086 1.00 49.14 O HETATM 1762 O HOH 12 27.756 -12.487 19.433 1.00 49.38 O HETATM 1763 O HOH 13 26.687 -8.841 48.459 1.00 28.69 O HETATM 1764 O HOH 14 0.149 -17.562 28.594 1.00 49.45 O HETATM 1765 O HOH 15 19.227 -18.455 17.493 1.00 60.80 O HETATM 1766 O HOH 16 27.333 -3.120 57.467 1.00 58.86 O HETATM 1767 O HOH 17 38.613 -3.314 30.610 1.00 44.86 O HETATM 1768 O HOH 18 14.061 -2.855 37.797 1.00 37.41 O HETATM 1769 O HOH 19 33.728 -16.486 42.613 1.00 33.50 O HETATM 1770 O HOH 20 34.415 0.977 42.803 1.00 50.11 O HETATM 1771 O HOH 21 15.186 1.215 43.723 1.00 56.59 O HETATM 1772 O HOH 22 17.185 -14.478 22.676 1.00 35.67 O HETATM 1773 O HOH 23 20.815 -9.144 15.024 1.00 39.34 O HETATM 1774 O HOH 24 28.701 7.271 29.461 1.00 29.78 O HETATM 1775 O HOH 25 6.065 -15.027 29.591 1.00 38.28 O HETATM 1776 O HOH 26 -1.442 -3.564 28.472 1.00 47.91 O HETATM 1777 O HOH 27 26.098 4.785 37.304 1.00 33.03 O HETATM 1778 O HOH 28 15.482 2.212 21.971 1.00 56.00 O HETATM 1779 O HOH 29 7.279 -9.882 40.715 1.00 48.22 O HETATM 1780 O HOH 30 36.665 -7.667 46.056 1.00 56.79 O HETATM 1781 O HOH 31 17.404 2.618 23.839 1.00 54.25 O HETATM 1782 O HOH 32 36.964 -5.017 30.990 1.00 49.75 O HETATM 1783 O HOH 33 13.950 -7.193 38.919 1.00 34.45 O HETATM 1784 O HOH 34 40.262 -1.421 40.294 1.00 43.39 O HETATM 1785 O HOH 35 20.944 -22.459 34.267 1.00 32.46 O HETATM 1786 O HOH 36 8.849 -2.104 34.134 1.00 36.44 O HETATM 1787 O HOH 37 33.459 -11.227 39.165 1.00 37.02 O HETATM 1788 O HOH 38 38.397 -8.429 35.932 1.00 53.48 O HETATM 1789 O HOH 39 33.604 -4.490 39.165 1.00 35.05 O HETATM 1790 O HOH 40 2.089 -15.410 22.459 1.00 43.60 O HETATM 1791 O HOH 41 11.643 -17.996 34.782 1.00 40.49 O HETATM 1792 O HOH 42 1.187 0.364 32.777 1.00 34.12 O HETATM 1793 O HOH 43 17.997 -15.909 15.083 1.00 54.60 O HETATM 1794 O HOH 44 18.870 -21.408 32.839 1.00 39.36 O HETATM 1795 O HOH 45 33.903 -4.225 50.328 1.00 58.47 O HETATM 1796 O HOH 46 9.937 -16.161 22.051 1.00 38.52 O HETATM 1797 O HOH 47 14.366 -11.599 18.387 1.00 34.53 O HETATM 1798 O HOH 48 28.321 -8.877 51.716 1.00 39.79 O HETATM 1799 O HOH 49 6.096 2.890 37.309 1.00 60.02 O HETATM 1800 O HOH 50 31.027 -17.264 41.584 1.00 41.68 O HETATM 1801 O HOH 51 18.372 -7.058 14.395 1.00 56.99 O HETATM 1802 O HOH 52 14.772 -15.456 14.418 1.00 45.43 O HETATM 1803 O HOH 53 0.569 2.068 26.627 1.00 40.47 O HETATM 1804 O HOH 54 25.719 -8.047 17.257 1.00 57.45 O HETATM 1805 O HOH 55 35.057 -8.661 33.386 1.00 47.50 O HETATM 1806 O HOH 56 11.622 -6.681 17.185 1.00 42.93 O HETATM 1807 O HOH 57 31.601 -16.311 28.548 1.00 37.35 O HETATM 1808 O HOH 58 19.790 -18.007 24.866 1.00 41.04 O HETATM 1809 O HOH 59 35.083 -10.457 35.794 1.00 41.65 O HETATM 1810 O HOH 60 36.673 -7.753 30.226 1.00 41.96 O HETATM 1811 O HOH 61 33.477 -2.568 25.509 1.00 59.64 O HETATM 1812 O HOH 62 6.641 7.801 24.354 1.00 62.25 O HETATM 1813 O HOH 63 25.170 -19.098 24.636 1.00 46.77 O HETATM 1814 O HOH 64 8.786 -22.925 29.918 1.00 59.74 O HETATM 1815 O HOH 65 29.028 -7.364 48.936 1.00 35.73 O HETATM 1816 O HOH 66 19.827 -4.537 19.861 1.00 32.75 O HETATM 1817 O HOH 67 33.867 -7.312 20.681 1.00 47.60 O HETATM 1818 O HOH 68 28.894 1.098 47.840 1.00 52.44 O HETATM 1819 O HOH 69 29.510 -9.832 55.804 1.00 44.12 O HETATM 1820 O HOH 70 31.316 -14.798 39.628 1.00 38.02 O HETATM 1821 O HOH 71 -1.383 -13.229 33.755 1.00 54.51 O HETATM 1822 O HOH 72 27.197 4.180 39.608 1.00 36.00 O HETATM 1823 O HOH 73 27.789 -20.120 33.477 1.00 54.07 O HETATM 1824 O HOH 74 19.191 2.751 38.767 1.00 54.41 O HETATM 1825 O HOH 75 16.604 -19.682 33.661 1.00 32.83 O HETATM 1826 O HOH 76 19.550 0.997 48.379 1.00 50.03 O HETATM 1827 O HOH 77 0.159 4.485 33.527 1.00 55.01 O HETATM 1828 O HOH 78 33.263 -12.017 49.098 1.00 59.22 O HETATM 1829 O HOH 79 9.513 -17.140 37.391 1.00 47.30 O HETATM 1830 O HOH 80 8.260 -0.192 34.847 1.00 50.79 O HETATM 1831 O HOH 81 25.061 2.970 27.996 1.00 38.20 O HETATM 1832 O HOH 82 22.525 -19.230 23.307 1.00 45.81 O HETATM 1833 O HOH 83 38.310 -1.806 42.660 1.00 46.91 O HETATM 1834 O HOH 84 21.800 2.811 21.818 1.00 45.61 O HETATM 1835 O HOH 85 32.387 -15.049 36.166 1.00 58.17 O HETATM 1836 O HOH 86 1.991 -1.585 36.461 1.00 51.58 O HETATM 1837 O HOH 87 14.547 -22.130 22.831 1.00 38.04 O HETATM 1838 O HOH 88 27.038 4.672 27.301 1.00 46.78 O HETATM 1839 O HOH 89 23.430 3.976 37.773 1.00 51.13 O HETATM 1840 O HOH 90 0.768 -19.697 30.225 1.00 62.67 O HETATM 1841 O HOH 91 25.082 3.147 41.481 1.00 43.69 O HETATM 1842 O HOH 92 23.828 3.010 45.586 1.00 55.57 O HETATM 1843 O HOH 93 30.009 -5.721 51.038 1.00 68.11 O HETATM 1844 O HOH 94 35.753 -11.398 48.704 1.00 55.75 O HETATM 1845 O HOH 95 37.117 -0.055 43.857 1.00 61.08 O HETATM 1846 O HOH 96 36.679 -5.272 47.643 1.00 63.96 O HETATM 1847 O HOH 97 -3.437 -3.931 30.783 1.00 54.90 O HETATM 1848 O HOH 98 34.179 -13.739 39.595 1.00 47.79 O HETATM 1849 O HOH 99 27.588 -10.339 53.828 1.00 49.87 O HETATM 1850 O HOH 100 23.393 -9.952 55.466 1.00 54.64 O HETATM 1851 O HOH 101 23.796 4.351 43.428 1.00 56.31 O HETATM 1852 O HOH 102 6.965 -3.648 35.846 1.00 48.55 O HETATM 1853 O HOH 103 19.234 -21.942 21.561 1.00 52.20 O HETATM 1854 O HOH 104 23.153 -19.259 20.247 1.00 62.96 O HETATM 1855 O HOH 105 9.112 -14.629 42.308 1.00 68.03 O HETATM 1856 O HOH 106 19.263 6.786 42.013 1.00 58.64 O HETATM 1857 O HOH 107 7.041 -4.816 23.232 1.00 40.78 O HETATM 1858 O HOH 108 3.950 -7.713 33.122 1.00 46.65 O HETATM 1859 O HOH 109 8.290 -9.523 14.367 1.00 56.18 O HETATM 1860 O HOH 110 7.384 -11.401 25.602 1.00 33.07 O HETATM 1861 O HOH 111 -5.237 -2.405 25.926 1.00 55.25 O HETATM 1862 O HOH 112 4.865 -6.273 14.861 1.00 56.40 O HETATM 1863 O HOH 113 8.889 -6.182 16.783 1.00 58.44 O HETATM 1864 O HOH 114 0.441 -5.255 31.306 1.00 56.99 O HETATM 1865 O HOH 115 6.011 6.652 20.545 1.00 56.25 O HETATM 1866 O HOH 116 8.187 -5.796 20.435 1.00 55.09 O HETATM 1867 O HOH 117 1.986 -9.396 17.805 1.00 41.77 O HETATM 1868 O HOH 118 4.474 -5.622 35.416 1.00 54.86 O HETATM 1869 N TYR A 119 5.729 -8.863 14.686 1.00 0.24 N HETATM 1870 CA TYR A 119 5.119 -9.272 15.985 1.00 0.07 C HETATM 1871 C TYR A 119 5.692 -8.462 17.150 1.00 0.23 C HETATM 1872 O TYR A 119 6.828 -7.986 17.076 1.00 -0.39 O HETATM 1873 N TYR A 119 4.899 -8.320 18.217 1.00 -0.26 N HETATM 1874 CA TYR A 119 5.286 -7.570 19.404 1.00 0.15 C HETATM 1875 C TYR A 119 5.553 -8.493 20.582 1.00 0.21 C HETATM 1876 O TYR A 119 4.875 -9.511 20.767 1.00 -0.39 O HETATM 1877 N TYR A 119 6.522 -8.089 21.409 1.00 -0.26 N HETATM 1878 CA TYR A 119 6.861 -8.852 22.598 1.00 0.13 C HETATM 1879 C TYR A 119 5.896 -8.624 23.750 1.00 0.20 C HETATM 1880 O TYR A 119 5.780 -9.488 24.622 1.00 -0.39 O HETATM 1881 N TYR A 119 5.226 -7.470 23.800 1.00 -0.26 N HETATM 1882 CA TYR A 119 4.442 -7.085 24.982 1.00 0.14 C HETATM 1883 C TYR A 119 3.255 -6.254 24.524 1.00 0.21 C HETATM 1884 O TYR A 119 3.430 -5.359 23.684 1.00 -0.39 O HETATM 1885 N TYR A 119 2.055 -6.505 25.058 1.00 -0.25 N HETATM 1886 CA TYR A 119 0.866 -5.786 24.574 1.00 0.13 C HETATM 1887 C TYR A 119 0.932 -4.291 24.845 1.00 0.20 C HETATM 1888 O TYR A 119 1.480 -3.843 25.853 1.00 -0.39 O HETATM 1889 N TYR A 119 0.329 -3.518 23.943 1.00 -0.26 N HETATM 1890 CA TYR A 119 0.150 -2.084 24.158 1.00 0.14 C HETATM 1891 C TYR A 119 1.456 -1.403 24.528 1.00 0.21 C HETATM 1892 O TYR A 119 1.479 -0.468 25.330 1.00 -0.39 O HETATM 1893 N TYR A 119 2.559 -1.886 23.986 1.00 -0.26 N HETATM 1894 CA TYR A 119 3.841 -1.239 24.211 1.00 0.15 C HETATM 1895 C TYR A 119 4.060 -0.204 23.109 1.00 0.21 C HETATM 1896 O TYR A 119 3.674 -0.409 21.952 1.00 -0.39 O HETATM 1897 N TYR A 119 4.609 0.943 23.502 1.00 -0.26 N HETATM 1898 CA TYR A 119 4.828 2.075 22.604 1.00 0.13 C HETATM 1899 C TYR A 119 6.275 2.532 22.748 1.00 0.21 C HETATM 1900 O TYR A 119 6.776 2.649 23.877 1.00 -0.39 O HETATM 1901 N TYR A 119 6.972 2.843 21.655 1.00 -0.25 N HETATM 1902 CA TYR A 119 8.369 3.269 21.791 1.00 0.13 C HETATM 1903 C TYR A 119 8.486 4.533 22.624 1.00 0.20 C HETATM 1904 O TYR A 119 7.591 5.381 22.634 1.00 -0.39 O HETATM 1905 N TYR A 119 9.633 4.666 23.288 1.00 -0.27 N HETATM 1906 CA TYR A 119 9.955 5.858 24.060 1.00 0.10 C HETATM 1907 C TYR A 119 11.022 6.680 23.332 1.00 0.06 C HETATM 1908 O TYR A 119 10.726 7.632 22.615 1.00 -0.57 O HETATM 1909 OXT TYR A 119 12.218 6.421 23.435 1.00 -0.57 O HETATM 1910 CB TYR A 119 10.472 5.510 25.455 1.00 -0.01 C HETATM 1911 CG TYR A 119 9.429 4.999 26.403 1.00 -0.00 C HETATM 1912 SD TYR A 119 9.847 5.388 28.112 1.00 -0.16 S HETATM 1913 CE TYR A 119 9.764 7.177 28.052 1.00 -0.02 C HETATM 1914 H69 TYR A 119 10.000 7.588 29.044 1.00 0.03 H HETATM 1915 H70 TYR A 119 8.751 7.487 27.758 1.00 0.03 H HETATM 1916 H71 TYR A 119 10.491 7.553 27.317 1.00 0.03 H HETATM 1917 H67 TYR A 119 9.350 3.907 26.294 1.00 0.04 H HETATM 1918 H68 TYR A 119 8.463 5.463 26.156 1.00 0.04 H HETATM 1919 H65 TYR A 119 10.916 6.417 25.891 1.00 0.03 H HETATM 1920 H66 TYR A 119 11.247 4.736 25.350 1.00 0.03 H HETATM 1921 H64 TYR A 119 9.042 6.463 24.163 1.00 0.07 H HETATM 1922 H63 TYR A 119 10.298 3.920 23.255 1.00 0.19 H HETATM 1923 CB TYR A 119 8.809 3.529 20.344 1.00 -0.01 C HETATM 1924 CG TYR A 119 7.878 2.722 19.512 1.00 -0.03 C HETATM 1925 CD TYR A 119 6.563 2.730 20.241 1.00 0.04 C HETATM 1926 H61 TYR A 119 5.947 3.589 19.937 1.00 0.05 H HETATM 1927 H62 TYR A 119 6.006 1.798 20.063 1.00 0.05 H HETATM 1928 H59 TYR A 119 8.252 1.693 19.408 1.00 0.03 H HETATM 1929 H60 TYR A 119 7.766 3.174 18.515 1.00 0.03 H HETATM 1930 H57 TYR A 119 9.848 3.202 20.190 1.00 0.03 H HETATM 1931 H58 TYR A 119 8.721 4.598 20.098 1.00 0.03 H HETATM 1932 H56 TYR A 119 8.976 2.474 22.249 1.00 0.08 H HETATM 1933 CB TYR A 119 3.864 3.226 22.933 1.00 -0.01 C HETATM 1934 CG1 TYR A 119 4.219 4.468 22.147 1.00 -0.06 C HETATM 1935 H50 TYR A 119 3.516 5.275 22.400 1.00 0.02 H HETATM 1936 H51 TYR A 119 4.156 4.251 21.070 1.00 0.02 H HETATM 1937 H52 TYR A 119 5.243 4.781 22.399 1.00 0.02 H HETATM 1938 CG2 TYR A 119 2.426 2.817 22.686 1.00 -0.06 C HETATM 1939 H53 TYR A 119 2.197 1.913 23.269 1.00 0.02 H HETATM 1940 H54 TYR A 119 2.283 2.609 21.615 1.00 0.02 H HETATM 1941 H55 TYR A 119 1.755 3.632 22.994 1.00 0.02 H HETATM 1942 H49 TYR A 119 3.970 3.461 24.002 1.00 0.03 H HETATM 1943 H48 TYR A 119 4.652 1.752 21.567 1.00 0.08 H HETATM 1944 H47 TYR A 119 4.885 1.035 24.459 1.00 0.19 H HETATM 1945 CB TYR A 119 4.967 -2.274 24.300 1.00 0.08 C HETATM 1946 OG TYR A 119 5.016 -3.179 23.217 1.00 -0.39 O HETATM 1947 H46 TYR A 119 5.736 -3.785 23.345 1.00 0.21 H HETATM 1948 H44 TYR A 119 4.830 -2.853 25.226 1.00 0.06 H HETATM 1949 H45 TYR A 119 5.926 -1.736 24.342 1.00 0.06 H HETATM 1950 H43 TYR A 119 3.801 -0.709 25.174 1.00 0.08 H HETATM 1951 H42 TYR A 119 2.512 -2.705 23.415 1.00 0.19 H HETATM 1952 CB TYR A 119 -0.892 -1.818 25.244 1.00 0.04 C HETATM 1953 CG TYR A 119 -2.205 -2.458 24.934 1.00 0.04 C HETATM 1954 OD1 TYR A 119 -2.733 -2.166 23.842 1.00 -0.57 O HETATM 1955 OD2 TYR A 119 -2.689 -3.270 25.750 1.00 -0.57 O HETATM 1956 H40 TYR A 119 -1.040 -0.732 25.335 1.00 0.05 H HETATM 1957 H41 TYR A 119 -0.519 -2.218 26.198 1.00 0.05 H HETATM 1958 H39 TYR A 119 -0.212 -1.644 23.217 1.00 0.08 H HETATM 1959 H38 TYR A 119 -0.010 -3.930 23.097 1.00 0.19 H HETATM 1960 CB TYR A 119 -0.294 -6.415 25.360 1.00 -0.01 C HETATM 1961 CG TYR A 119 0.214 -7.691 25.903 1.00 -0.03 C HETATM 1962 CD TYR A 119 1.714 -7.541 26.054 1.00 0.04 C HETATM 1963 H36 TYR A 119 1.976 -7.212 27.070 1.00 0.05 H HETATM 1964 H37 TYR A 119 2.229 -8.487 25.830 1.00 0.05 H HETATM 1965 H34 TYR A 119 -0.016 -8.514 25.211 1.00 0.03 H HETATM 1966 H35 TYR A 119 -0.246 -7.895 26.881 1.00 0.03 H HETATM 1967 H32 TYR A 119 -1.150 -6.599 24.694 1.00 0.03 H HETATM 1968 H33 TYR A 119 -0.604 -5.749 26.179 1.00 0.03 H HETATM 1969 H31 TYR A 119 0.738 -5.949 23.494 1.00 0.08 H HETATM 1970 CB TYR A 119 5.290 -6.276 25.990 1.00 0.02 C HETATM 1971 CG TYR A 119 4.716 -6.226 27.392 1.00 -0.05 C HETATM 1972 CD1 TYR A 119 3.738 -5.300 27.728 1.00 -0.07 C HETATM 1973 CE1 TYR A 119 3.196 -5.258 29.000 1.00 -0.04 C HETATM 1974 CZ TYR A 119 3.655 -6.132 29.965 1.00 0.08 C HETATM 1975 CE2 TYR A 119 4.638 -7.055 29.661 1.00 -0.04 C HETATM 1976 CD2 TYR A 119 5.165 -7.094 28.384 1.00 -0.07 C HETATM 1977 H27 TYR A 119 5.942 -7.813 28.150 1.00 0.05 H HETATM 1978 H29 TYR A 119 4.993 -7.744 30.419 1.00 0.05 H HETATM 1979 OH TYR A 119 3.126 -6.089 31.235 1.00 -0.34 O HETATM 1980 H30 TYR A 119 2.468 -5.406 31.280 1.00 0.25 H HETATM 1981 H28 TYR A 119 2.416 -4.544 29.238 1.00 0.05 H HETATM 1982 H26 TYR A 119 3.392 -4.596 26.979 1.00 0.05 H HETATM 1983 H24 TYR A 119 5.377 -5.245 25.617 1.00 0.05 H HETATM 1984 H25 TYR A 119 6.289 -6.732 26.043 1.00 0.05 H HETATM 1985 H23 TYR A 119 4.077 -7.995 25.480 1.00 0.08 H HETATM 1986 H22 TYR A 119 5.258 -6.853 23.014 1.00 0.19 H HETATM 1987 CB TYR A 119 8.265 -8.496 23.090 1.00 -0.02 C HETATM 1988 H19 TYR A 119 8.499 -9.085 23.989 1.00 0.03 H HETATM 1989 H20 TYR A 119 8.308 -7.424 23.333 1.00 0.03 H HETATM 1990 H21 TYR A 119 8.998 -8.723 22.302 1.00 0.03 H HETATM 1991 H18 TYR A 119 6.837 -9.919 22.331 1.00 0.08 H HETATM 1992 H17 TYR A 119 7.022 -7.247 21.206 1.00 0.19 H HETATM 1993 CB TYR A 119 4.203 -6.567 19.811 1.00 0.08 C HETATM 1994 OG TYR A 119 4.164 -5.481 18.911 1.00 -0.39 O HETATM 1995 H16 TYR A 119 3.487 -4.872 19.181 1.00 0.21 H HETATM 1996 H14 TYR A 119 4.421 -6.191 20.821 1.00 0.06 H HETATM 1997 H15 TYR A 119 3.225 -7.071 19.811 1.00 0.06 H HETATM 1998 H13 TYR A 119 6.209 -7.018 19.173 1.00 0.08 H HETATM 1999 H12 TYR A 119 3.996 -8.750 18.199 1.00 0.19 H HETATM 2000 CB TYR A 119 5.342 -10.762 16.253 1.00 0.04 C HETATM 2001 CG TYR A 119 4.772 -11.704 15.216 1.00 -0.05 C HETATM 2002 CD1 TYR A 119 3.415 -12.008 15.184 1.00 -0.07 C HETATM 2003 CE1 TYR A 119 2.905 -12.887 14.243 1.00 -0.04 C HETATM 2004 CZ TYR A 119 3.761 -13.472 13.331 1.00 0.08 C HETATM 2005 CE2 TYR A 119 5.104 -13.190 13.355 1.00 -0.04 C HETATM 2006 CD2 TYR A 119 5.601 -12.318 14.291 1.00 -0.07 C HETATM 2007 H8 TYR A 119 6.664 -12.105 14.307 1.00 0.05 H HETATM 2008 H10 TYR A 119 5.770 -13.655 12.637 1.00 0.05 H HETATM 2009 OH TYR A 119 3.293 -14.348 12.385 1.00 -0.34 O HETATM 2010 H11 TYR A 119 2.354 -14.448 12.485 1.00 0.25 H HETATM 2011 H9 TYR A 119 1.845 -13.113 14.223 1.00 0.05 H HETATM 2012 H7 TYR A 119 2.748 -11.551 15.905 1.00 0.05 H HETATM 2013 H5 TYR A 119 4.880 -11.005 17.221 1.00 0.05 H HETATM 2014 H6 TYR A 119 6.426 -10.937 16.310 1.00 0.05 H HETATM 2015 H4 TYR A 119 4.037 -9.085 15.929 1.00 0.11 H HETATM 2016 H1 TYR A 119 5.332 -9.413 13.940 1.00 0.20 H HETATM 2017 H2 TYR A 119 6.725 -9.013 14.720 1.00 0.20 H HETATM 2018 H3 TYR A 119 5.542 -7.887 14.520 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 401 400 1571 CONECT 772 771 849 CONECT 849 772 848 CONECT 1571 401 1570 CONECT 1869 1870 2016 2017 2018 CONECT 1870 1869 1871 2000 2015 CONECT 1871 1870 1872 1873 CONECT 1872 1871 CONECT 1873 1871 1874 1999 CONECT 1874 1873 1875 1993 1998 CONECT 1875 1874 1876 1877 CONECT 1876 1875 CONECT 1877 1875 1878 1992 CONECT 1878 1877 1879 1987 1991 CONECT 1879 1878 1880 1881 CONECT 1880 1879 CONECT 1881 1879 1882 1986 CONECT 1882 1881 1883 1970 1985 CONECT 1883 1882 1884 1885 CONECT 1884 1883 CONECT 1885 1883 1886 1962 CONECT 1886 1885 1887 1960 1969 CONECT 1887 1886 1888 1889 CONECT 1888 1887 CONECT 1889 1887 1890 1959 CONECT 1890 1889 1891 1952 1958 CONECT 1891 1890 1892 1893 CONECT 1892 1891 CONECT 1893 1891 1894 1951 CONECT 1894 1893 1895 1945 1950 CONECT 1895 1894 1896 1897 CONECT 1896 1895 CONECT 1897 1895 1898 1944 CONECT 1898 1897 1899 1933 1943 CONECT 1899 1898 1900 1901 CONECT 1900 1899 CONECT 1901 1899 1902 1925 CONECT 1902 1901 1903 1923 1932 CONECT 1903 1902 1904 1905 CONECT 1904 1903 CONECT 1905 1903 1906 1922 CONECT 1906 1905 1907 1910 1921 CONECT 1907 1906 1908 1909 CONECT 1908 1907 CONECT 1909 1907 CONECT 1910 1906 1911 1919 1920 CONECT 1911 1910 1912 1917 1918 CONECT 1912 1911 1913 CONECT 1913 1912 1914 1915 1916 CONECT 1914 1913 CONECT 1915 1913 CONECT 1916 1913 CONECT 1917 1911 CONECT 1918 1911 CONECT 1919 1910 CONECT 1920 1910 CONECT 1921 1906 CONECT 1922 1905 CONECT 1923 1902 1924 1930 1931 CONECT 1924 1923 1925 1928 1929 CONECT 1925 1901 1924 1926 1927 CONECT 1926 1925 CONECT 1927 1925 CONECT 1928 1924 CONECT 1929 1924 CONECT 1930 1923 CONECT 1931 1923 CONECT 1932 1902 CONECT 1933 1898 1934 1938 1942 CONECT 1934 1933 1935 1936 1937 CONECT 1935 1934 CONECT 1936 1934 CONECT 1937 1934 CONECT 1938 1933 1939 1940 1941 CONECT 1939 1938 CONECT 1940 1938 CONECT 1941 1938 CONECT 1942 1933 CONECT 1943 1898 CONECT 1944 1897 CONECT 1945 1894 1946 1948 1949 CONECT 1946 1945 1947 CONECT 1947 1946 CONECT 1948 1945 CONECT 1949 1945 CONECT 1950 1894 CONECT 1951 1893 CONECT 1952 1890 1953 1956 1957 CONECT 1953 1952 1954 1955 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1952 CONECT 1957 1952 CONECT 1958 1890 CONECT 1959 1889 CONECT 1960 1886 1961 1967 1968 CONECT 1961 1960 1962 1965 1966 CONECT 1962 1885 1961 1963 1964 CONECT 1963 1962 CONECT 1964 1962 CONECT 1965 1961 CONECT 1966 1961 CONECT 1967 1960 CONECT 1968 1960 CONECT 1969 1886 CONECT 1970 1882 1971 1983 1984 CONECT 1971 1970 1972 1976 CONECT 1972 1971 1973 1982 CONECT 1973 1972 1974 1981 CONECT 1974 1973 1975 1979 CONECT 1975 1974 1976 1978 CONECT 1976 1971 1975 1977 CONECT 1977 1976 CONECT 1978 1975 CONECT 1979 1974 1980 CONECT 1980 1979 CONECT 1981 1973 CONECT 1982 1972 CONECT 1983 1970 CONECT 1984 1970 CONECT 1985 1882 CONECT 1986 1881 CONECT 1987 1878 1988 1989 1990 CONECT 1988 1987 CONECT 1989 1987 CONECT 1990 1987 CONECT 1991 1878 CONECT 1992 1877 CONECT 1993 1874 1994 1996 1997 CONECT 1994 1993 1995 CONECT 1995 1994 CONECT 1996 1993 CONECT 1997 1993 CONECT 1998 1874 CONECT 1999 1873 CONECT 2000 1870 2001 2013 2014 CONECT 2001 2000 2002 2006 CONECT 2002 2001 2003 2012 CONECT 2003 2002 2004 2011 CONECT 2004 2003 2005 2009 CONECT 2005 2004 2006 2008 CONECT 2006 2001 2005 2007 CONECT 2007 2006 CONECT 2008 2005 CONECT 2009 2004 2010 CONECT 2010 2009 CONECT 2011 2003 CONECT 2012 2002 CONECT 2013 2000 CONECT 2014 2000 CONECT 2015 1870 CONECT 2016 1869 CONECT 2017 1869 CONECT 2018 1869 MASTER 0 0 0 0 0 0 0 0 2017 1 158 14 END
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Entry Information
PDB ID
6njz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ephrin type-A receptor 2, EphA2 LBD
Ligand Name
17-mer
EC.Number
E.C.2.7.10.1
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=9800nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Biol.Chem. Vol. 294: pp. 8791-8805
Ligand Properties
Formula
C
5
1
H
7
3
N
1
0
O
1
7
S
Molecular Weight
1130.250
Exact Mass
1129.490
No. of atoms
152
No. of bonds
155
Polar Surface Area
452.78
LOGP Value
-1.24 (
Computed with XLOGP3
)
-1.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 4
Canonical SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])CO)C)CC(=O)O)CO
InChI String
InChI=1S/C51H72N10O17S/c1-26(2)41(50(76)61-19-6-8-39(61)47(73)54-33(51(77)78)17-20-79-4)59-46(72)37(25-63)58-44(70)34(23-40(66)67)55-48(74)38-7-5-18-60(38)49(75)35(22-29-11-15-31(65)16-12-29)56-42(68)27(3)53-45(71)36(24-62)57-43(69)32(52)21-28-9-13-30(64)14-10-28/h9-16,26-27,32-39,41,62-65H,5-8,17-25,52H2,1-4H3,(H,53,71)(H,54,73)(H,55,74)(H,56,68)(H,57,69)(H,58,70)(H,59,72)(H,66,67)(H,77,78)/p+1/t27-,32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P29317
Entrez Gene ID
NCBI Entrez Gene ID:
1969
ASD
Information of known allosteric effects of PDB entries
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