Browse entries in the PDBbind-CN Database
HEADER 5EWY_COMPLEX COMPND 5EWY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 LYS ALA ALA ALA PRO ALA CYS PRO ARG PHE ASP ASP PRO SEQRES 2 A 165 VAL HIS ALA ALA ALA ASP PRO ARG VAL ASP VAL GLU ARG SEQRES 3 A 165 ILE THR PRO ASP PRO VAL TRP ARG THR THR CYS GLY THR SEQRES 4 A 165 LEU TYR ARG SER ASP SER ARG GLY PRO ALA VAL VAL PHE SEQRES 5 A 165 GLU GLN GLY PHE LEU PRO LYS ASP VAL ILE ASP GLY GLN SEQRES 6 A 165 TYR ASP ILE GLU SER TYR VAL LEU VAL ASN GLN PRO SER SEQRES 7 A 165 PRO TYR VAL SER THR THR TYR ASP HIS ASP LEU TYR LYS SEQRES 8 A 165 THR TRP TYR LYS SER GLY TYR ASN TYR TYR ILE ASP ALA SEQRES 9 A 165 PRO GLY GLY VAL ASP VAL ASN LYS THR ILE GLY ASP ARG SEQRES 10 A 165 HIS LYS TRP ALA ASP GLN VAL GLU VAL ALA PHE PRO GLY SEQRES 11 A 165 GLY ILE ARG THR GLU PHE VAL ILE GLY VAL CYS PRO VAL SEQRES 12 A 165 ASP LYS LYS THR ARG THR GLU LYS MET SER GLU CYS VAL SEQRES 13 A 165 GLY ASN PRO HIS TYR GLU PRO TRP HIS HET UNN A 351 34 SSBOND 1 CYS A 42 CYS A 72 SSBOND 2 CYS A 176 CYS A 190 ATOM 1 N LYS A 36 58.382 35.514 8.406 1.00 55.94 N ATOM 2 CA LYS A 36 57.048 36.077 8.591 1.00 54.25 C ATOM 3 C LYS A 36 56.378 36.352 7.243 1.00 53.01 C ATOM 4 O LYS A 36 57.031 36.403 6.205 1.00 53.85 O ATOM 5 CB LYS A 36 57.121 37.377 9.414 1.00 52.74 C ATOM 6 CG LYS A 36 57.420 37.168 10.892 1.00 53.12 C ATOM 7 CD LYS A 36 57.554 38.466 11.692 1.00 59.15 C ATOM 8 CE LYS A 36 58.017 38.179 13.131 1.00 68.83 C ATOM 9 NZ LYS A 36 57.912 39.348 14.074 1.00 53.44 N ATOM 10 HZ1 LYS A 36 58.499 40.131 13.721 1.00 0.00 H ATOM 11 HZ2 LYS A 36 56.920 39.656 14.134 1.00 0.00 H ATOM 12 HZ3 LYS A 36 58.245 39.062 15.017 1.00 0.00 H ATOM 13 HN3 LYS A 36 58.969 36.186 7.871 1.00 0.00 H ATOM 14 HN2 LYS A 36 58.310 34.620 7.880 1.00 0.00 H ATOM 15 HN1 LYS A 36 58.814 35.337 9.335 1.00 0.00 H ATOM 16 N ALA A 37 55.061 36.525 7.267 1.00 49.88 N ATOM 17 CA ALA A 37 54.327 36.926 6.078 1.00 49.02 C ATOM 18 C ALA A 37 53.074 37.657 6.530 1.00 46.87 C ATOM 19 O ALA A 37 52.509 37.337 7.574 1.00 45.75 O ATOM 20 CB ALA A 37 53.947 35.717 5.222 1.00 48.84 C ATOM 21 H ALA A 37 54.544 36.370 8.156 1.00 0.00 H ATOM 22 N ALA A 38 52.659 38.646 5.751 1.00 46.64 N ATOM 23 CA ALA A 38 51.425 39.360 6.033 1.00 44.96 C ATOM 24 C ALA A 38 50.252 38.641 5.375 1.00 43.84 C ATOM 25 O ALA A 38 50.379 38.047 4.299 1.00 44.01 O ATOM 26 CB ALA A 38 51.508 40.805 5.538 1.00 45.69 C ATOM 27 H ALA A 38 53.227 38.916 4.923 1.00 0.00 H ATOM 28 N ALA A 39 49.100 38.700 6.032 1.00 41.98 N ATOM 29 CA ALA A 39 47.934 38.001 5.522 1.00 48.67 C ATOM 30 C ALA A 39 47.370 38.736 4.306 1.00 47.14 C ATOM 31 O ALA A 39 47.566 39.943 4.153 1.00 42.64 O ATOM 32 CB ALA A 39 46.854 37.909 6.594 1.00 44.56 C ATOM 33 H ALA A 39 49.033 39.248 6.913 1.00 0.00 H ATOM 34 N PRO A 40 46.681 38.025 3.420 1.00 40.07 N ATOM 35 CA PRO A 40 46.000 38.678 2.294 1.00 43.83 C ATOM 36 C PRO A 40 44.646 39.242 2.715 1.00 54.21 C ATOM 37 O PRO A 40 44.147 38.978 3.806 1.00 38.14 O ATOM 38 CB PRO A 40 45.803 37.522 1.315 1.00 39.99 C ATOM 39 CG PRO A 40 45.653 36.314 2.201 1.00 41.06 C ATOM 40 CD PRO A 40 46.529 36.558 3.394 1.00 39.41 C ATOM 41 N ALA A 41 44.031 40.003 1.807 1.00 84.14 N ATOM 42 CA ALA A 41 42.690 40.528 2.047 1.00 71.31 C ATOM 43 C ALA A 41 41.652 39.435 1.790 1.00 59.73 C ATOM 44 O ALA A 41 41.981 38.314 1.397 1.00 59.50 O ATOM 45 CB ALA A 41 42.426 41.770 1.195 1.00 65.26 C ATOM 46 H ALA A 41 44.515 40.226 0.914 1.00 0.00 H ATOM 47 N CYS A 42 40.309 39.773 2.018 1.00 39.56 N ATOM 48 CA CYS A 42 39.300 38.724 1.976 1.00 35.99 C ATOM 49 C CYS A 42 38.502 38.756 0.673 1.00 36.03 C ATOM 50 O CYS A 42 38.220 39.830 0.132 1.00 42.42 O ATOM 51 CB CYS A 42 38.315 38.912 3.135 1.00 35.34 C ATOM 52 SG CYS A 42 39.068 38.784 4.763 1.00 35.22 S ATOM 53 H CYS A 42 40.039 40.758 2.214 1.00 0.00 H ATOM 54 N PRO A 43 38.087 37.593 0.165 1.00 35.12 N ATOM 55 CA PRO A 43 37.126 37.567 -0.946 1.00 35.89 C ATOM 56 C PRO A 43 35.798 38.161 -0.520 1.00 35.26 C ATOM 57 O PRO A 43 35.359 37.972 0.611 1.00 34.60 O ATOM 58 CB PRO A 43 36.965 36.072 -1.249 1.00 45.30 C ATOM 59 CG PRO A 43 37.989 35.361 -0.427 1.00 33.69 C ATOM 60 CD PRO A 43 38.382 36.245 0.677 1.00 34.41 C ATOM 61 N ARG A 44 35.129 38.835 -1.450 1.00 36.26 N ATOM 62 CA ARG A 44 33.868 39.512 -1.167 1.00 44.35 C ATOM 63 C ARG A 44 32.824 39.016 -2.151 1.00 37.31 C ATOM 64 O ARG A 44 32.984 39.184 -3.362 1.00 37.60 O ATOM 65 CB ARG A 44 34.029 41.030 -1.277 1.00 67.38 C ATOM 66 CG ARG A 44 34.905 41.640 -0.189 1.00 93.96 C ATOM 67 CD ARG A 44 35.332 43.063 -0.529 1.00117.47 C ATOM 68 NE ARG A 44 36.140 43.113 -1.744 1.00130.08 N ATOM 69 CZ ARG A 44 36.771 44.197 -2.187 1.00140.36 C ATOM 70 NH1 ARG A 44 36.700 45.338 -1.515 1.00145.38 N ATOM 71 NH2 ARG A 44 37.479 44.137 -3.306 1.00144.48 N ATOM 72 HE ARG A 44 36.228 42.240 -2.302 1.00 0.00 H ATOM 73 HH12 ARG A 44 37.196 46.181 -1.868 1.00 0.00 H ATOM 74 HH11 ARG A 44 36.148 45.390 -0.635 1.00 0.00 H ATOM 75 HH22 ARG A 44 37.973 44.983 -3.655 1.00 0.00 H ATOM 76 HH21 ARG A 44 37.540 43.244 -3.835 1.00 0.00 H ATOM 77 H ARG A 44 35.518 38.881 -2.413 1.00 0.00 H ATOM 78 N PHE A 45 31.755 38.418 -1.638 1.00 36.45 N ATOM 79 CA PHE A 45 30.684 37.916 -2.484 1.00 35.84 C ATOM 80 C PHE A 45 29.699 39.029 -2.813 1.00 39.93 C ATOM 81 O PHE A 45 29.476 39.950 -2.024 1.00 42.13 O ATOM 82 CB PHE A 45 29.951 36.764 -1.789 1.00 35.66 C ATOM 83 CG PHE A 45 30.777 35.523 -1.675 1.00 32.91 C ATOM 84 CD1 PHE A 45 31.604 35.334 -0.590 1.00 33.97 C ATOM 85 CD2 PHE A 45 30.752 34.555 -2.671 1.00 38.50 C ATOM 86 CE1 PHE A 45 32.390 34.199 -0.494 1.00 33.38 C ATOM 87 CE2 PHE A 45 31.522 33.414 -2.569 1.00 37.71 C ATOM 88 CZ PHE A 45 32.344 33.239 -1.486 1.00 37.48 C ATOM 89 H PHE A 45 31.682 38.306 -0.607 1.00 0.00 H ATOM 90 N ASP A 46 29.109 38.930 -4.002 1.00 38.32 N ATOM 91 CA ASP A 46 28.085 39.885 -4.400 1.00 39.46 C ATOM 92 C ASP A 46 26.889 39.798 -3.467 1.00 47.37 C ATOM 93 O ASP A 46 26.309 40.820 -3.085 1.00 45.30 O ATOM 94 CB ASP A 46 27.649 39.587 -5.830 1.00 45.37 C ATOM 95 CG ASP A 46 26.860 40.725 -6.447 1.00 67.18 C ATOM 96 OD1 ASP A 46 26.976 41.871 -5.957 1.00 58.78 O ATOM 97 OD2 ASP A 46 26.127 40.469 -7.425 1.00 79.17 O ATOM 98 H ASP A 46 29.382 38.165 -4.651 1.00 0.00 H ATOM 99 N ASP A 47 26.525 38.580 -3.077 1.00 40.01 N ATOM 100 CA ASP A 47 25.337 38.338 -2.264 1.00 36.25 C ATOM 101 C ASP A 47 25.685 38.517 -0.789 1.00 38.09 C ATOM 102 O ASP A 47 26.521 37.767 -0.266 1.00 33.75 O ATOM 103 CB ASP A 47 24.847 36.923 -2.536 1.00 35.68 C ATOM 104 CG ASP A 47 23.637 36.548 -1.734 1.00 42.87 C ATOM 105 OD1 ASP A 47 23.101 37.411 -1.011 1.00 40.55 O ATOM 106 OD2 ASP A 47 23.218 35.379 -1.865 1.00 47.58 O ATOM 107 H ASP A 47 27.109 37.768 -3.362 1.00 0.00 H ATOM 108 N PRO A 48 25.081 39.482 -0.081 1.00 35.66 N ATOM 109 CA PRO A 48 25.469 39.710 1.316 1.00 39.35 C ATOM 110 C PRO A 48 25.058 38.588 2.246 1.00 28.37 C ATOM 111 O PRO A 48 25.613 38.499 3.345 1.00 31.73 O ATOM 112 CB PRO A 48 24.759 41.022 1.671 1.00 44.59 C ATOM 113 CG PRO A 48 23.554 41.024 0.812 1.00 47.55 C ATOM 114 CD PRO A 48 23.929 40.317 -0.470 1.00 46.10 C ATOM 115 N VAL A 49 24.127 37.725 1.824 1.00 32.34 N ATOM 116 CA VAL A 49 23.751 36.550 2.605 1.00 27.03 C ATOM 117 C VAL A 49 24.088 35.287 1.830 1.00 29.79 C ATOM 118 O VAL A 49 23.389 34.276 1.916 1.00 31.83 O ATOM 119 CB VAL A 49 22.275 36.591 3.040 1.00 30.28 C ATOM 120 CG1 VAL A 49 22.044 37.764 3.980 1.00 33.19 C ATOM 121 CG2 VAL A 49 21.341 36.658 1.840 1.00 33.21 C ATOM 122 H VAL A 49 23.657 37.896 0.912 1.00 0.00 H ATOM 123 N HIS A 50 25.194 35.333 1.088 1.00 27.41 N ATOM 124 CA HIS A 50 25.713 34.135 0.443 1.00 29.02 C ATOM 125 C HIS A 50 25.757 32.951 1.391 1.00 29.50 C ATOM 126 O HIS A 50 25.546 31.808 0.977 1.00 32.77 O ATOM 127 CB HIS A 50 27.122 34.412 -0.084 1.00 31.01 C ATOM 128 CG HIS A 50 27.764 33.221 -0.713 1.00 36.15 C ATOM 129 ND1 HIS A 50 27.295 32.667 -1.884 1.00 41.97 N ATOM 130 CD2 HIS A 50 28.816 32.461 -0.329 1.00 35.12 C ATOM 131 CE1 HIS A 50 28.042 31.624 -2.203 1.00 37.34 C ATOM 132 NE2 HIS A 50 28.977 31.483 -1.283 1.00 38.53 N ATOM 133 H HIS A 50 25.694 36.237 0.968 1.00 0.00 H ATOM 134 N ALA A 51 26.056 33.197 2.667 1.00 26.93 N ATOM 135 CA ALA A 51 26.262 32.113 3.609 1.00 24.63 C ATOM 136 C ALA A 51 24.965 31.518 4.134 1.00 24.16 C ATOM 137 O ALA A 51 25.025 30.494 4.808 1.00 24.31 O ATOM 138 CB ALA A 51 27.047 32.622 4.810 1.00 27.29 C ATOM 139 H ALA A 51 26.143 34.181 2.992 1.00 0.00 H ATOM 140 N ALA A 52 23.822 32.097 3.807 1.00 25.60 N ATOM 141 CA ALA A 52 22.582 31.761 4.496 1.00 24.08 C ATOM 142 C ALA A 52 22.184 30.301 4.276 1.00 27.66 C ATOM 143 O ALA A 52 22.186 29.795 3.148 1.00 29.70 O ATOM 144 CB ALA A 52 21.476 32.684 4.001 1.00 25.47 C ATOM 145 H ALA A 52 23.807 32.805 3.045 1.00 0.00 H ATOM 146 N ALA A 53 21.819 29.629 5.377 1.00 24.77 N ATOM 147 CA ALA A 53 21.196 28.315 5.295 1.00 27.41 C ATOM 148 C ALA A 53 19.723 28.387 4.924 1.00 31.66 C ATOM 149 O ALA A 53 19.194 27.418 4.371 1.00 33.25 O ATOM 150 CB ALA A 53 21.359 27.575 6.623 1.00 25.54 C ATOM 151 H ALA A 53 21.984 30.056 6.311 1.00 0.00 H ATOM 152 N ASP A 54 19.058 29.512 5.195 1.00 29.91 N ATOM 153 CA ASP A 54 17.662 29.734 4.826 1.00 31.82 C ATOM 154 C ASP A 54 17.639 30.984 3.958 1.00 35.09 C ATOM 155 O ASP A 54 17.606 32.110 4.477 1.00 34.41 O ATOM 156 CB ASP A 54 16.779 29.907 6.060 1.00 32.35 C ATOM 157 CG ASP A 54 15.313 29.857 5.721 1.00 36.91 C ATOM 158 OD1 ASP A 54 14.960 30.147 4.557 1.00 37.63 O ATOM 159 OD2 ASP A 54 14.513 29.530 6.627 1.00 40.48 O ATOM 160 H ASP A 54 19.561 30.272 5.696 1.00 0.00 H ATOM 161 N PRO A 55 17.686 30.840 2.630 1.00 40.96 N ATOM 162 CA PRO A 55 17.761 32.027 1.769 1.00 42.90 C ATOM 163 C PRO A 55 16.469 32.823 1.702 1.00 40.35 C ATOM 164 O PRO A 55 16.432 33.854 1.018 1.00 44.48 O ATOM 165 CB PRO A 55 18.132 31.438 0.401 1.00 57.20 C ATOM 166 CG PRO A 55 17.561 30.062 0.430 1.00 63.07 C ATOM 167 CD PRO A 55 17.704 29.590 1.850 1.00 52.32 C ATOM 168 N ARG A 56 15.406 32.393 2.382 1.00 38.76 N ATOM 169 CA ARG A 56 14.193 33.194 2.391 1.00 41.19 C ATOM 170 C ARG A 56 14.350 34.467 3.204 1.00 37.00 C ATOM 171 O ARG A 56 13.434 35.295 3.214 1.00 40.58 O ATOM 172 CB ARG A 56 13.022 32.389 2.949 1.00 39.43 C ATOM 173 CG ARG A 56 12.695 31.135 2.158 1.00 48.00 C ATOM 174 CD ARG A 56 11.611 30.341 2.862 1.00 50.58 C ATOM 175 NE ARG A 56 12.037 29.913 4.192 1.00 49.41 N ATOM 176 CZ ARG A 56 11.214 29.480 5.141 1.00 46.68 C ATOM 177 NH1 ARG A 56 9.903 29.411 4.916 1.00 49.49 N ATOM 178 NH2 ARG A 56 11.696 29.114 6.315 1.00 41.60 N ATOM 179 HE ARG A 56 13.053 29.950 4.411 1.00 0.00 H ATOM 180 HH12 ARG A 56 9.264 29.071 5.663 1.00 0.00 H ATOM 181 HH11 ARG A 56 9.518 29.697 3.993 1.00 0.00 H ATOM 182 HH22 ARG A 56 11.053 28.775 7.058 1.00 0.00 H ATOM 183 HH21 ARG A 56 12.719 29.165 6.496 1.00 0.00 H ATOM 184 H ARG A 56 15.444 31.493 2.901 1.00 0.00 H ATOM 185 N VAL A 57 15.473 34.647 3.895 1.00 35.07 N ATOM 186 CA VAL A 57 15.657 35.856 4.679 1.00 38.67 C ATOM 187 C VAL A 57 15.542 37.068 3.769 1.00 35.97 C ATOM 188 O VAL A 57 15.999 37.057 2.618 1.00 39.36 O ATOM 189 CB VAL A 57 17.003 35.819 5.420 1.00 32.11 C ATOM 190 CG1 VAL A 57 18.182 35.689 4.434 1.00 32.41 C ATOM 191 CG2 VAL A 57 17.142 37.050 6.301 1.00 33.11 C ATOM 192 H VAL A 57 16.219 33.922 3.874 1.00 0.00 H ATOM 193 N ASP A 58 14.930 38.124 4.288 1.00 38.53 N ATOM 194 CA ASP A 58 14.662 39.339 3.527 1.00 42.92 C ATOM 195 C ASP A 58 15.585 40.443 4.033 1.00 38.76 C ATOM 196 O ASP A 58 15.286 41.109 5.028 1.00 38.34 O ATOM 197 CB ASP A 58 13.199 39.739 3.662 1.00 53.02 C ATOM 198 CG ASP A 58 12.871 40.992 2.881 1.00 56.47 C ATOM 199 OD1 ASP A 58 13.771 41.500 2.175 1.00 46.58 O ATOM 200 OD2 ASP A 58 11.712 41.457 2.965 1.00 61.56 O ATOM 201 H ASP A 58 14.628 38.084 5.282 1.00 0.00 H ATOM 202 N VAL A 59 16.685 40.658 3.307 1.00 35.50 N ATOM 203 CA VAL A 59 17.707 41.622 3.711 1.00 36.00 C ATOM 204 C VAL A 59 17.133 43.026 3.827 1.00 36.52 C ATOM 205 O VAL A 59 17.618 43.837 4.625 1.00 39.18 O ATOM 206 CB VAL A 59 18.889 41.559 2.724 1.00 46.70 C ATOM 207 CG1 VAL A 59 19.827 42.745 2.904 1.00 50.42 C ATOM 208 CG2 VAL A 59 19.648 40.256 2.898 1.00 52.63 C ATOM 209 H VAL A 59 16.819 40.122 2.426 1.00 0.00 H ATOM 210 N GLU A 60 16.119 43.354 3.030 1.00 39.30 N ATOM 211 CA GLU A 60 15.586 44.706 3.067 1.00 40.66 C ATOM 212 C GLU A 60 14.844 45.002 4.363 1.00 38.45 C ATOM 213 O GLU A 60 14.589 46.175 4.658 1.00 40.00 O ATOM 214 CB GLU A 60 14.689 44.952 1.850 1.00 44.97 C ATOM 215 CG GLU A 60 15.469 45.019 0.540 1.00 57.86 C ATOM 216 CD GLU A 60 14.580 45.177 -0.684 1.00 79.43 C ATOM 217 OE1 GLU A 60 13.354 45.358 -0.522 1.00 87.93 O ATOM 218 OE2 GLU A 60 15.110 45.116 -1.813 1.00 84.16 O ATOM 219 H GLU A 60 15.711 42.648 2.385 1.00 0.00 H ATOM 220 N ARG A 61 14.504 43.978 5.141 1.00 35.69 N ATOM 221 CA ARG A 61 13.805 44.168 6.402 1.00 38.40 C ATOM 222 C ARG A 61 14.742 44.333 7.587 1.00 34.89 C ATOM 223 O ARG A 61 14.270 44.595 8.696 1.00 36.20 O ATOM 224 CB ARG A 61 12.870 42.988 6.664 1.00 39.34 C ATOM 225 CG ARG A 61 11.653 42.987 5.750 1.00 42.74 C ATOM 226 CD ARG A 61 10.822 41.732 5.924 1.00 48.46 C ATOM 227 NE ARG A 61 10.311 41.588 7.285 1.00 46.52 N ATOM 228 CZ ARG A 61 9.807 40.458 7.774 1.00 45.54 C ATOM 229 NH1 ARG A 61 9.754 39.367 7.017 1.00 49.31 N ATOM 230 NH2 ARG A 61 9.371 40.411 9.025 1.00 48.18 N ATOM 231 HE ARG A 61 10.343 42.419 7.909 1.00 0.00 H ATOM 232 HH12 ARG A 61 9.359 38.485 7.402 1.00 0.00 H ATOM 233 HH11 ARG A 61 10.107 39.395 6.039 1.00 0.00 H ATOM 234 HH22 ARG A 61 8.977 39.527 9.406 1.00 0.00 H ATOM 235 HH21 ARG A 61 9.423 41.258 9.626 1.00 0.00 H ATOM 236 H ARG A 61 14.745 43.013 4.838 1.00 0.00 H ATOM 237 N ILE A 62 16.049 44.196 7.385 1.00 31.74 N ATOM 238 CA ILE A 62 16.989 44.385 8.481 1.00 29.89 C ATOM 239 C ILE A 62 16.956 45.841 8.913 1.00 36.10 C ATOM 240 O ILE A 62 17.011 46.754 8.078 1.00 37.15 O ATOM 241 CB ILE A 62 18.407 43.974 8.059 1.00 29.51 C ATOM 242 CG1 ILE A 62 18.463 42.489 7.709 1.00 30.05 C ATOM 243 CG2 ILE A 62 19.397 44.297 9.160 1.00 29.60 C ATOM 244 CD1 ILE A 62 19.729 42.098 6.975 1.00 31.53 C ATOM 245 H ILE A 62 16.402 43.952 6.438 1.00 0.00 H ATOM 246 N THR A 63 16.853 46.061 10.219 1.00 34.98 N ATOM 247 CA THR A 63 16.957 47.398 10.780 1.00 31.09 C ATOM 248 C THR A 63 17.897 47.361 11.972 1.00 29.70 C ATOM 249 O THR A 63 18.010 46.336 12.637 1.00 30.44 O ATOM 250 CB THR A 63 15.575 47.976 11.216 1.00 34.48 C ATOM 251 OG1 THR A 63 14.942 47.113 12.175 1.00 35.09 O ATOM 252 CG2 THR A 63 14.665 48.133 10.023 1.00 41.58 C ATOM 253 HG1 THR A 63 15.520 47.029 12.974 1.00 0.00 H ATOM 254 H THR A 63 16.694 45.255 10.857 1.00 0.00 H ATOM 255 N PRO A 64 18.626 48.454 12.220 1.00 32.81 N ATOM 256 CA PRO A 64 18.814 49.580 11.311 1.00 34.65 C ATOM 257 C PRO A 64 19.663 49.148 10.120 1.00 32.21 C ATOM 258 O PRO A 64 19.986 47.963 10.015 1.00 33.17 O ATOM 259 CB PRO A 64 19.555 50.607 12.171 1.00 41.24 C ATOM 260 CG PRO A 64 20.256 49.817 13.184 1.00 41.17 C ATOM 261 CD PRO A 64 19.409 48.608 13.460 1.00 36.97 C ATOM 262 N ASP A 65 20.015 50.082 9.241 1.00 38.22 N ATOM 263 CA ASP A 65 20.791 49.735 8.061 1.00 39.67 C ATOM 264 C ASP A 65 22.036 48.943 8.474 1.00 32.47 C ATOM 265 O ASP A 65 22.825 49.430 9.298 1.00 33.56 O ATOM 266 CB ASP A 65 21.198 50.998 7.311 1.00 53.70 C ATOM 267 CG ASP A 65 20.023 51.666 6.613 1.00 72.77 C ATOM 268 OD1 ASP A 65 19.053 50.960 6.261 1.00 61.06 O ATOM 269 OD2 ASP A 65 20.072 52.898 6.414 1.00 81.38 O ATOM 270 H ASP A 65 19.733 51.070 9.399 1.00 0.00 H ATOM 271 N PRO A 66 22.231 47.731 7.958 1.00 33.37 N ATOM 272 CA PRO A 66 23.324 46.896 8.465 1.00 27.96 C ATOM 273 C PRO A 66 24.675 47.360 7.951 1.00 27.76 C ATOM 274 O PRO A 66 24.815 47.836 6.818 1.00 32.91 O ATOM 275 CB PRO A 66 22.982 45.502 7.926 1.00 28.44 C ATOM 276 CG PRO A 66 22.192 45.750 6.728 1.00 32.37 C ATOM 277 CD PRO A 66 21.392 46.991 7.000 1.00 33.81 C ATOM 278 N VAL A 67 25.654 47.270 8.831 1.00 26.11 N ATOM 279 CA VAL A 67 27.054 47.367 8.451 1.00 26.76 C ATOM 280 C VAL A 67 27.572 45.939 8.369 1.00 25.27 C ATOM 281 O VAL A 67 27.674 45.235 9.382 1.00 24.80 O ATOM 282 CB VAL A 67 27.858 48.208 9.448 1.00 29.57 C ATOM 283 CG1 VAL A 67 29.308 48.268 9.013 1.00 33.01 C ATOM 284 CG2 VAL A 67 27.269 49.598 9.559 1.00 36.26 C ATOM 285 H VAL A 67 25.416 47.124 9.833 1.00 0.00 H ATOM 286 N TRP A 68 27.880 45.486 7.158 1.00 28.42 N ATOM 287 CA TRP A 68 28.289 44.106 6.957 1.00 25.26 C ATOM 288 C TRP A 68 29.751 43.922 7.308 1.00 25.44 C ATOM 289 O TRP A 68 30.583 44.797 7.042 1.00 27.25 O ATOM 290 CB TRP A 68 28.095 43.725 5.493 1.00 27.33 C ATOM 291 CG TRP A 68 26.677 43.832 5.063 1.00 30.20 C ATOM 292 CD1 TRP A 68 26.093 44.879 4.418 1.00 37.34 C ATOM 293 CD2 TRP A 68 25.650 42.855 5.264 1.00 29.28 C ATOM 294 NE1 TRP A 68 24.761 44.614 4.202 1.00 38.65 N ATOM 295 CE2 TRP A 68 24.466 43.375 4.706 1.00 33.84 C ATOM 296 CE3 TRP A 68 25.618 41.590 5.857 1.00 29.00 C ATOM 297 CZ2 TRP A 68 23.260 42.673 4.728 1.00 35.64 C ATOM 298 CZ3 TRP A 68 24.422 40.892 5.867 1.00 32.57 C ATOM 299 CH2 TRP A 68 23.263 41.435 5.311 1.00 31.31 C ATOM 300 HE1 TRP A 68 24.087 45.251 3.732 1.00 0.00 H ATOM 301 H TRP A 68 27.828 46.129 6.342 1.00 0.00 H ATOM 302 N ARG A 69 30.048 42.772 7.887 1.00 23.74 N ATOM 303 CA ARG A 69 31.422 42.379 8.151 1.00 24.54 C ATOM 304 C ARG A 69 32.142 42.118 6.832 1.00 23.11 C ATOM 305 O ARG A 69 31.608 41.457 5.934 1.00 26.09 O ATOM 306 CB ARG A 69 31.405 41.123 9.010 1.00 20.79 C ATOM 307 CG ARG A 69 32.719 40.340 9.030 1.00 20.96 C ATOM 308 CD ARG A 69 32.612 39.228 10.050 1.00 19.87 C ATOM 309 NE ARG A 69 33.609 38.159 9.913 1.00 16.88 N ATOM 310 CZ ARG A 69 33.460 37.111 9.109 1.00 19.04 C ATOM 311 NH1 ARG A 69 34.382 36.158 9.063 1.00 18.09 N ATOM 312 NH2 ARG A 69 32.411 37.027 8.312 1.00 19.62 N ATOM 313 HE ARG A 69 34.481 38.225 10.477 1.00 0.00 H ATOM 314 HH12 ARG A 69 34.256 35.342 8.430 1.00 0.00 H ATOM 315 HH11 ARG A 69 35.231 36.227 9.660 1.00 0.00 H ATOM 316 HH22 ARG A 69 32.299 36.205 7.685 1.00 0.00 H ATOM 317 HH21 ARG A 69 31.697 37.783 8.311 1.00 0.00 H ATOM 318 H ARG A 69 29.277 42.130 8.161 1.00 0.00 H ATOM 319 N THR A 70 33.347 42.667 6.696 1.00 24.88 N ATOM 320 CA THR A 70 34.118 42.512 5.472 1.00 25.15 C ATOM 321 C THR A 70 35.403 41.739 5.705 1.00 24.20 C ATOM 322 O THR A 70 36.150 41.516 4.746 1.00 28.42 O ATOM 323 CB THR A 70 34.418 43.870 4.813 1.00 30.21 C ATOM 324 OG1 THR A 70 35.172 44.682 5.713 1.00 36.55 O ATOM 325 CG2 THR A 70 33.128 44.583 4.458 1.00 34.39 C ATOM 326 HG1 THR A 70 34.650 44.826 6.542 1.00 0.00 H ATOM 327 H THR A 70 33.746 43.219 7.482 1.00 0.00 H ATOM 328 N THR A 71 35.714 41.382 6.933 1.00 23.93 N ATOM 329 CA THR A 71 36.833 40.510 7.228 1.00 22.52 C ATOM 330 C THR A 71 36.392 39.057 7.111 1.00 20.27 C ATOM 331 O THR A 71 35.213 38.737 6.922 1.00 22.13 O ATOM 332 CB THR A 71 37.388 40.823 8.610 1.00 21.31 C ATOM 333 OG1 THR A 71 36.340 40.655 9.582 1.00 23.05 O ATOM 334 CG2 THR A 71 37.903 42.244 8.679 1.00 24.43 C ATOM 335 HG1 THR A 71 36.014 39.721 9.555 1.00 0.00 H ATOM 336 H THR A 71 35.136 41.739 7.720 1.00 0.00 H ATOM 337 N CYS A 72 37.337 38.143 7.325 1.00 19.32 N ATOM 338 CA CYS A 72 37.115 36.729 7.062 1.00 17.25 C ATOM 339 C CYS A 72 37.910 35.895 8.047 1.00 18.03 C ATOM 340 O CYS A 72 38.366 34.793 7.727 1.00 21.22 O ATOM 341 CB CYS A 72 37.493 36.352 5.624 1.00 21.24 C ATOM 342 SG CYS A 72 39.148 36.757 5.130 1.00 25.94 S ATOM 343 H CYS A 72 38.261 38.449 7.691 1.00 0.00 H ATOM 344 N GLY A 73 38.031 36.381 9.271 1.00 18.27 N ATOM 345 CA GLY A 73 38.610 35.583 10.317 1.00 16.47 C ATOM 346 C GLY A 73 37.603 34.599 10.872 1.00 14.45 C ATOM 347 O GLY A 73 36.397 34.692 10.634 1.00 16.62 O ATOM 348 H GLY A 73 37.705 37.347 9.478 1.00 0.00 H ATOM 349 N THR A 74 38.125 33.631 11.612 1.00 16.01 N ATOM 350 CA THR A 74 37.287 32.651 12.274 1.00 14.47 C ATOM 351 C THR A 74 36.359 33.357 13.258 1.00 13.70 C ATOM 352 O THR A 74 36.783 34.264 13.983 1.00 15.35 O ATOM 353 CB THR A 74 38.152 31.657 13.032 1.00 13.60 C ATOM 354 OG1 THR A 74 39.094 31.065 12.141 1.00 16.56 O ATOM 355 CG2 THR A 74 37.303 30.541 13.659 1.00 16.81 C ATOM 356 HG1 THR A 74 38.611 30.595 11.416 1.00 0.00 H ATOM 357 H THR A 74 39.158 33.573 11.720 1.00 0.00 H ATOM 358 N LEU A 75 35.088 32.959 13.232 1.00 13.27 N ATOM 359 CA LEU A 75 34.072 33.377 14.182 1.00 13.33 C ATOM 360 C LEU A 75 33.672 32.164 15.005 1.00 13.61 C ATOM 361 O LEU A 75 34.016 31.024 14.682 1.00 13.59 O ATOM 362 CB LEU A 75 32.858 33.972 13.465 1.00 14.91 C ATOM 363 CG LEU A 75 33.114 35.202 12.584 1.00 15.44 C ATOM 364 CD1 LEU A 75 31.851 35.580 11.823 1.00 16.48 C ATOM 365 CD2 LEU A 75 33.631 36.374 13.370 1.00 15.73 C ATOM 366 H LEU A 75 34.803 32.302 12.478 1.00 0.00 H ATOM 367 N TYR A 76 32.913 32.432 16.062 1.00 14.30 N ATOM 368 CA TYR A 76 32.575 31.392 17.021 1.00 14.57 C ATOM 369 C TYR A 76 31.107 31.480 17.395 1.00 14.32 C ATOM 370 O TYR A 76 30.497 32.539 17.328 1.00 14.82 O ATOM 371 CB TYR A 76 33.460 31.468 18.297 1.00 14.67 C ATOM 372 CG TYR A 76 34.905 31.616 17.922 1.00 14.04 C ATOM 373 CD1 TYR A 76 35.447 32.872 17.683 1.00 13.97 C ATOM 374 CD2 TYR A 76 35.702 30.513 17.742 1.00 14.41 C ATOM 375 CE1 TYR A 76 36.765 33.007 17.253 1.00 14.65 C ATOM 376 CE2 TYR A 76 37.026 30.645 17.322 1.00 15.00 C ATOM 377 CZ TYR A 76 37.514 31.893 17.126 1.00 14.48 C ATOM 378 OH TYR A 76 38.812 32.012 16.679 1.00 18.05 O ATOM 379 HH TYR A 76 39.039 32.970 16.579 1.00 0.00 H ATOM 380 H TYR A 76 32.556 33.398 16.206 1.00 0.00 H ATOM 381 N ARG A 77 30.552 30.336 17.758 1.00 15.57 N ATOM 382 CA ARG A 77 29.198 30.295 18.289 1.00 14.35 C ATOM 383 C ARG A 77 29.130 29.236 19.379 1.00 13.59 C ATOM 384 O ARG A 77 29.401 28.058 19.107 1.00 15.73 O ATOM 385 CB ARG A 77 28.178 29.986 17.192 1.00 13.99 C ATOM 386 CG ARG A 77 26.774 29.853 17.764 1.00 15.72 C ATOM 387 CD ARG A 77 25.712 29.692 16.679 1.00 15.93 C ATOM 388 NE ARG A 77 24.450 29.246 17.284 1.00 16.69 N ATOM 389 CZ ARG A 77 23.550 30.033 17.856 1.00 16.73 C ATOM 390 NH1 ARG A 77 22.467 29.493 18.404 1.00 19.61 N ATOM 391 NH2 ARG A 77 23.677 31.350 17.864 1.00 17.95 N ATOM 392 HE ARG A 77 24.245 28.227 17.262 1.00 0.00 H ATOM 393 HH12 ARG A 77 21.754 30.101 18.856 1.00 0.00 H ATOM 394 HH11 ARG A 77 22.332 28.462 18.382 1.00 0.00 H ATOM 395 HH22 ARG A 77 22.953 31.939 18.322 1.00 0.00 H ATOM 396 HH21 ARG A 77 24.501 31.796 17.413 1.00 0.00 H ATOM 397 H ARG A 77 31.092 29.452 17.662 1.00 0.00 H ATOM 398 N SER A 78 28.741 29.657 20.589 1.00 16.66 N ATOM 399 CA SER A 78 28.395 28.748 21.678 1.00 16.14 C ATOM 400 C SER A 78 26.981 28.239 21.406 1.00 16.72 C ATOM 401 O SER A 78 26.089 29.032 21.128 1.00 19.07 O ATOM 402 CB SER A 78 28.452 29.548 22.993 1.00 20.86 C ATOM 403 OG SER A 78 28.068 28.729 24.065 1.00 31.79 O ATOM 404 HG SER A 78 27.144 28.406 23.918 1.00 0.00 H ATOM 405 H SER A 78 28.682 30.681 20.762 1.00 0.00 H ATOM 406 N ASP A 79 26.797 26.923 21.406 1.00 17.27 N ATOM 407 CA ASP A 79 25.473 26.359 21.171 1.00 17.82 C ATOM 408 C ASP A 79 25.375 25.048 21.935 1.00 21.23 C ATOM 409 O ASP A 79 26.312 24.248 21.943 1.00 26.04 O ATOM 410 CB ASP A 79 25.263 26.163 19.659 1.00 19.59 C ATOM 411 CG ASP A 79 23.812 26.134 19.251 1.00 20.90 C ATOM 412 OD1 ASP A 79 22.986 25.525 19.981 1.00 23.86 O ATOM 413 OD2 ASP A 79 23.483 26.719 18.187 1.00 20.04 O ATOM 414 H ASP A 79 27.604 26.290 21.575 1.00 0.00 H ATOM 415 N SER A 80 24.227 24.828 22.572 1.00 20.71 N ATOM 416 CA SER A 80 23.983 23.548 23.231 1.00 24.24 C ATOM 417 C SER A 80 23.649 22.443 22.235 1.00 20.70 C ATOM 418 O SER A 80 23.719 21.261 22.591 1.00 24.85 O ATOM 419 CB SER A 80 22.834 23.683 24.229 1.00 23.94 C ATOM 420 OG SER A 80 21.693 24.215 23.590 1.00 26.04 O ATOM 421 HG SER A 80 21.416 23.612 22.856 1.00 0.00 H ATOM 422 H SER A 80 23.500 25.571 22.600 1.00 0.00 H ATOM 423 N ARG A 81 23.285 22.802 21.010 1.00 21.96 N ATOM 424 CA ARG A 81 22.933 21.800 20.020 1.00 22.76 C ATOM 425 C ARG A 81 24.172 21.091 19.525 1.00 23.58 C ATOM 426 O ARG A 81 25.217 21.709 19.359 1.00 22.39 O ATOM 427 CB ARG A 81 22.194 22.458 18.873 1.00 23.23 C ATOM 428 CG ARG A 81 20.812 22.924 19.358 1.00 29.04 C ATOM 429 CD ARG A 81 20.136 23.710 18.289 1.00 34.13 C ATOM 430 NE ARG A 81 19.581 22.808 17.293 1.00 28.99 N ATOM 431 CZ ARG A 81 19.597 23.029 15.986 1.00 33.39 C ATOM 432 NH1 ARG A 81 20.149 24.136 15.494 1.00 30.80 N ATOM 433 NH2 ARG A 81 19.061 22.136 15.165 1.00 39.26 N ATOM 434 HE ARG A 81 19.141 21.928 17.629 1.00 0.00 H ATOM 435 HH12 ARG A 81 20.157 24.301 14.467 1.00 0.00 H ATOM 436 HH11 ARG A 81 20.572 24.836 16.136 1.00 0.00 H ATOM 437 HH22 ARG A 81 19.070 22.302 14.138 1.00 0.00 H ATOM 438 HH21 ARG A 81 18.632 21.269 15.548 1.00 0.00 H ATOM 439 H ARG A 81 23.252 23.810 20.757 1.00 0.00 H ATOM 440 N GLY A 82 24.047 19.799 19.286 1.00 25.75 N ATOM 441 CA GLY A 82 25.199 18.958 19.068 1.00 27.29 C ATOM 442 C GLY A 82 25.642 18.922 17.624 1.00 23.79 C ATOM 443 O GLY A 82 24.886 19.228 16.694 1.00 22.63 O ATOM 444 H GLY A 82 23.097 19.378 19.254 1.00 0.00 H ATOM 445 N PRO A 83 26.901 18.527 17.419 1.00 24.14 N ATOM 446 CA PRO A 83 27.478 18.588 16.070 1.00 25.22 C ATOM 447 C PRO A 83 26.842 17.647 15.076 1.00 25.20 C ATOM 448 O PRO A 83 26.856 17.937 13.877 1.00 26.51 O ATOM 449 CB PRO A 83 28.962 18.257 16.289 1.00 30.16 C ATOM 450 CG PRO A 83 29.033 17.605 17.604 1.00 28.63 C ATOM 451 CD PRO A 83 27.885 18.119 18.434 1.00 28.88 C ATOM 452 N ALA A 84 26.266 16.529 15.504 1.00 24.04 N ATOM 453 CA ALA A 84 25.594 15.696 14.519 1.00 26.16 C ATOM 454 C ALA A 84 24.508 16.489 13.802 1.00 31.07 C ATOM 455 O ALA A 84 24.303 16.332 12.594 1.00 34.71 O ATOM 456 CB ALA A 84 25.027 14.440 15.172 1.00 30.22 C ATOM 457 H ALA A 84 26.295 16.259 16.508 1.00 0.00 H ATOM 458 N VAL A 85 23.833 17.382 14.528 1.00 25.67 N ATOM 459 CA VAL A 85 22.758 18.179 13.955 1.00 24.75 C ATOM 460 C VAL A 85 23.322 19.362 13.178 1.00 24.86 C ATOM 461 O VAL A 85 22.928 19.618 12.033 1.00 25.80 O ATOM 462 CB VAL A 85 21.829 18.655 15.091 1.00 27.88 C ATOM 463 CG1 VAL A 85 20.714 19.521 14.525 1.00 32.17 C ATOM 464 CG2 VAL A 85 21.285 17.456 15.890 1.00 32.64 C ATOM 465 H VAL A 85 24.081 17.512 15.529 1.00 0.00 H ATOM 466 N VAL A 86 24.241 20.108 13.793 1.00 22.01 N ATOM 467 CA VAL A 86 24.785 21.301 13.153 1.00 22.48 C ATOM 468 C VAL A 86 25.573 20.949 11.894 1.00 22.38 C ATOM 469 O VAL A 86 25.473 21.641 10.881 1.00 21.89 O ATOM 470 CB VAL A 86 25.640 22.087 14.151 1.00 19.90 C ATOM 471 CG1 VAL A 86 26.355 23.251 13.469 1.00 20.11 C ATOM 472 CG2 VAL A 86 24.800 22.626 15.273 1.00 21.94 C ATOM 473 H VAL A 86 24.574 19.836 14.740 1.00 0.00 H ATOM 474 N PHE A 87 26.347 19.870 11.919 1.00 22.88 N ATOM 475 CA PHE A 87 27.101 19.547 10.713 1.00 23.37 C ATOM 476 C PHE A 87 26.176 19.105 9.585 1.00 26.48 C ATOM 477 O PHE A 87 26.503 19.292 8.414 1.00 27.94 O ATOM 478 CB PHE A 87 28.141 18.467 10.997 1.00 25.25 C ATOM 479 CG PHE A 87 29.249 18.898 11.917 1.00 21.76 C ATOM 480 CD1 PHE A 87 29.419 20.226 12.303 1.00 20.26 C ATOM 481 CD2 PHE A 87 30.157 17.956 12.375 1.00 23.90 C ATOM 482 CE1 PHE A 87 30.460 20.598 13.174 1.00 20.71 C ATOM 483 CE2 PHE A 87 31.194 18.332 13.219 1.00 25.04 C ATOM 484 CZ PHE A 87 31.348 19.634 13.607 1.00 20.59 C ATOM 485 H PHE A 87 26.413 19.275 12.770 1.00 0.00 H ATOM 486 N GLU A 88 25.022 18.524 9.902 1.00 24.92 N ATOM 487 CA GLU A 88 24.091 18.153 8.853 1.00 28.86 C ATOM 488 C GLU A 88 23.300 19.352 8.329 1.00 29.36 C ATOM 489 O GLU A 88 23.110 19.485 7.114 1.00 34.34 O ATOM 490 CB GLU A 88 23.161 17.065 9.384 1.00 29.18 C ATOM 491 CG GLU A 88 22.241 16.476 8.341 1.00 64.19 C ATOM 492 CD GLU A 88 22.002 14.996 8.556 1.00 84.55 C ATOM 493 OE1 GLU A 88 22.996 14.236 8.582 1.00 94.68 O ATOM 494 OE2 GLU A 88 20.827 14.597 8.710 1.00 82.70 O ATOM 495 H GLU A 88 24.788 18.336 10.898 1.00 0.00 H ATOM 496 N GLN A 89 22.818 20.223 9.218 1.00 28.45 N ATOM 497 CA GLN A 89 21.879 21.280 8.846 1.00 26.68 C ATOM 498 C GLN A 89 22.510 22.648 8.701 1.00 25.01 C ATOM 499 O GLN A 89 21.855 23.551 8.170 1.00 27.94 O ATOM 500 CB GLN A 89 20.844 21.495 9.954 1.00 35.21 C ATOM 501 CG GLN A 89 19.952 20.388 10.248 1.00 43.72 C ATOM 502 CD GLN A 89 18.999 20.744 11.374 1.00 38.13 C ATOM 503 OE1 GLN A 89 19.052 21.832 11.970 1.00 31.97 O ATOM 504 NE2 GLN A 89 18.131 19.835 11.670 1.00 37.79 N ATOM 505 HE22 GLN A 89 18.120 18.936 11.146 1.00 0.00 H ATOM 506 HE21 GLN A 89 17.443 20.001 12.432 1.00 0.00 H ATOM 507 H GLN A 89 23.121 20.147 10.210 1.00 0.00 H ATOM 508 N GLY A 90 23.715 22.837 9.207 1.00 24.14 N ATOM 509 CA GLY A 90 24.210 24.190 9.428 1.00 21.38 C ATOM 510 C GLY A 90 23.499 24.794 10.630 1.00 21.40 C ATOM 511 O GLY A 90 22.879 24.089 11.425 1.00 24.31 O ATOM 512 H GLY A 90 24.311 22.020 9.448 1.00 0.00 H ATOM 513 N PHE A 91 23.614 26.113 10.758 1.00 20.95 N ATOM 514 CA PHE A 91 22.864 26.872 11.761 1.00 20.71 C ATOM 515 C PHE A 91 21.667 27.521 11.087 1.00 21.49 C ATOM 516 O PHE A 91 21.814 28.465 10.307 1.00 21.79 O ATOM 517 CB PHE A 91 23.736 27.935 12.412 1.00 21.70 C ATOM 518 CG PHE A 91 24.783 27.378 13.325 1.00 18.59 C ATOM 519 CD1 PHE A 91 24.435 26.833 14.545 1.00 22.13 C ATOM 520 CD2 PHE A 91 26.122 27.435 12.963 1.00 18.71 C ATOM 521 CE1 PHE A 91 25.396 26.325 15.386 1.00 19.34 C ATOM 522 CE2 PHE A 91 27.082 26.921 13.801 1.00 19.63 C ATOM 523 CZ PHE A 91 26.728 26.368 14.999 1.00 19.54 C ATOM 524 H PHE A 91 24.260 26.624 10.123 1.00 0.00 H ATOM 525 N LEU A 92 20.478 27.027 11.410 1.00 22.72 N ATOM 526 CA LEU A 92 19.272 27.617 10.849 1.00 27.14 C ATOM 527 C LEU A 92 18.733 28.663 11.810 1.00 24.94 C ATOM 528 O LEU A 92 18.796 28.475 13.028 1.00 28.22 O ATOM 529 CB LEU A 92 18.207 26.552 10.639 1.00 29.26 C ATOM 530 CG LEU A 92 18.475 25.591 9.477 1.00 32.71 C ATOM 531 CD1 LEU A 92 17.556 24.377 9.583 1.00 35.22 C ATOM 532 CD2 LEU A 92 18.289 26.295 8.128 1.00 32.58 C ATOM 533 H LEU A 92 20.409 26.220 12.063 1.00 0.00 H ATOM 534 N PRO A 93 18.197 29.766 11.302 1.00 24.09 N ATOM 535 CA PRO A 93 17.567 30.750 12.184 1.00 25.95 C ATOM 536 C PRO A 93 16.185 30.296 12.626 1.00 28.00 C ATOM 537 O PRO A 93 15.513 29.486 11.976 1.00 30.13 O ATOM 538 CB PRO A 93 17.467 31.993 11.297 1.00 29.95 C ATOM 539 CG PRO A 93 17.289 31.438 9.940 1.00 31.35 C ATOM 540 CD PRO A 93 18.078 30.154 9.885 1.00 27.38 C ATOM 541 N LYS A 94 15.756 30.861 13.753 1.00 27.39 N ATOM 542 CA LYS A 94 14.486 30.453 14.352 1.00 27.48 C ATOM 543 C LYS A 94 13.285 30.875 13.506 1.00 33.32 C ATOM 544 O LYS A 94 12.353 30.083 13.323 1.00 35.78 O ATOM 545 CB LYS A 94 14.412 30.961 15.795 1.00 29.74 C ATOM 546 CG LYS A 94 15.272 30.125 16.733 1.00 55.26 C ATOM 547 CD LYS A 94 15.181 30.543 18.184 1.00 83.24 C ATOM 548 CE LYS A 94 15.965 29.562 19.044 1.00 93.33 C ATOM 549 NZ LYS A 94 15.862 29.821 20.502 1.00 92.63 N ATOM 550 HZ1 LYS A 94 16.227 30.772 20.710 1.00 0.00 H ATOM 551 HZ2 LYS A 94 14.866 29.758 20.794 1.00 0.00 H ATOM 552 HZ3 LYS A 94 16.421 29.113 21.019 1.00 0.00 H ATOM 553 H LYS A 94 16.329 31.598 14.211 1.00 0.00 H ATOM 554 N ASP A 95 13.272 32.101 12.967 1.00 33.06 N ATOM 555 CA ASP A 95 12.108 32.540 12.189 1.00 34.92 C ATOM 556 C ASP A 95 12.503 33.629 11.192 1.00 34.98 C ATOM 557 O ASP A 95 12.540 34.809 11.548 1.00 34.07 O ATOM 558 CB ASP A 95 11.006 33.037 13.110 1.00 37.42 C ATOM 559 CG ASP A 95 9.688 33.260 12.372 1.00 35.92 C ATOM 560 OD1 ASP A 95 9.665 33.150 11.125 1.00 40.93 O ATOM 561 OD2 ASP A 95 8.663 33.540 13.032 1.00 42.00 O ATOM 562 H ASP A 95 14.083 32.739 13.099 1.00 0.00 H ATOM 563 N VAL A 96 12.727 33.233 9.934 1.00 35.98 N ATOM 564 CA VAL A 96 13.009 34.202 8.873 1.00 38.62 C ATOM 565 C VAL A 96 11.769 34.901 8.347 1.00 45.61 C ATOM 566 O VAL A 96 11.893 35.882 7.602 1.00 43.79 O ATOM 567 CB VAL A 96 13.700 33.599 7.632 1.00 50.78 C ATOM 568 CG1 VAL A 96 15.141 33.248 7.933 1.00 37.99 C ATOM 569 CG2 VAL A 96 12.944 32.370 7.113 1.00 52.39 C ATOM 570 H VAL A 96 12.700 32.219 9.705 1.00 0.00 H ATOM 571 N ILE A 97 10.574 34.428 8.695 1.00 42.72 N ATOM 572 CA ILE A 97 9.353 34.993 8.133 1.00 50.18 C ATOM 573 C ILE A 97 8.818 36.072 9.062 1.00 52.35 C ATOM 574 O ILE A 97 8.630 37.223 8.652 1.00 52.16 O ATOM 575 CB ILE A 97 8.300 33.899 7.889 1.00 45.87 C ATOM 576 CG1 ILE A 97 8.882 32.760 7.045 1.00 46.30 C ATOM 577 CG2 ILE A 97 7.066 34.490 7.223 1.00 53.63 C ATOM 578 CD1 ILE A 97 9.410 33.181 5.691 1.00 49.40 C ATOM 579 H ILE A 97 10.511 33.645 9.377 1.00 0.00 H ATOM 580 N ASP A 98 8.570 35.706 10.320 1.00 44.66 N ATOM 581 CA ASP A 98 7.930 36.598 11.280 1.00 42.47 C ATOM 582 C ASP A 98 8.832 36.945 12.457 1.00 37.50 C ATOM 583 O ASP A 98 8.372 37.586 13.406 1.00 41.34 O ATOM 584 CB ASP A 98 6.619 35.978 11.771 1.00 46.96 C ATOM 585 CG ASP A 98 5.698 35.606 10.631 1.00 59.38 C ATOM 586 OD1 ASP A 98 5.262 36.523 9.905 1.00 54.78 O ATOM 587 OD2 ASP A 98 5.411 34.403 10.457 1.00 65.07 O ATOM 588 H ASP A 98 8.843 34.751 10.627 1.00 0.00 H ATOM 589 N GLY A 99 10.101 36.567 12.415 1.00 34.99 N ATOM 590 CA GLY A 99 10.994 36.865 13.508 1.00 32.85 C ATOM 591 C GLY A 99 11.335 38.347 13.590 1.00 29.62 C ATOM 592 O GLY A 99 10.950 39.171 12.758 1.00 34.32 O ATOM 593 H GLY A 99 10.457 36.050 11.586 1.00 0.00 H ATOM 594 N GLN A 100 12.099 38.672 14.628 1.00 28.36 N ATOM 595 CA GLN A 100 12.493 40.045 14.935 1.00 28.44 C ATOM 596 C GLN A 100 13.664 40.442 14.037 1.00 26.42 C ATOM 597 O GLN A 100 14.802 40.047 14.285 1.00 26.76 O ATOM 598 CB GLN A 100 12.908 40.114 16.405 1.00 28.93 C ATOM 599 CG GLN A 100 13.394 41.471 16.879 1.00 26.43 C ATOM 600 CD GLN A 100 12.377 42.553 16.621 1.00 30.08 C ATOM 601 OE1 GLN A 100 12.434 43.271 15.622 1.00 31.92 O ATOM 602 NE2 GLN A 100 11.399 42.652 17.508 1.00 32.04 N ATOM 603 HE22 GLN A 100 11.386 42.027 18.339 1.00 0.00 H ATOM 604 HE21 GLN A 100 10.644 43.354 17.373 1.00 0.00 H ATOM 605 H GLN A 100 12.433 37.911 15.253 1.00 0.00 H ATOM 606 N TYR A 101 13.387 41.261 13.021 1.00 30.08 N ATOM 607 CA TYR A 101 14.432 41.754 12.132 1.00 29.55 C ATOM 608 C TYR A 101 15.185 42.944 12.703 1.00 29.97 C ATOM 609 O TYR A 101 16.235 43.304 12.166 1.00 29.64 O ATOM 610 CB TYR A 101 13.837 42.137 10.769 1.00 30.65 C ATOM 611 CG TYR A 101 13.807 40.992 9.788 1.00 33.57 C ATOM 612 CD1 TYR A 101 12.832 40.015 9.867 1.00 32.28 C ATOM 613 CD2 TYR A 101 14.772 40.875 8.798 1.00 32.86 C ATOM 614 CE1 TYR A 101 12.801 38.959 8.970 1.00 33.01 C ATOM 615 CE2 TYR A 101 14.750 39.824 7.902 1.00 31.34 C ATOM 616 CZ TYR A 101 13.765 38.867 7.996 1.00 35.60 C ATOM 617 OH TYR A 101 13.724 37.813 7.110 1.00 34.25 O ATOM 618 HH TYR A 101 12.954 37.230 7.328 1.00 0.00 H ATOM 619 H TYR A 101 12.403 41.555 12.859 1.00 0.00 H ATOM 620 N ASP A 102 14.694 43.575 13.768 1.00 27.30 N ATOM 621 CA ASP A 102 15.435 44.689 14.347 1.00 27.11 C ATOM 622 C ASP A 102 16.569 44.161 15.214 1.00 27.04 C ATOM 623 O ASP A 102 16.341 43.416 16.174 1.00 28.65 O ATOM 624 CB ASP A 102 14.562 45.634 15.157 1.00 31.67 C ATOM 625 CG ASP A 102 15.354 46.829 15.644 1.00 37.20 C ATOM 626 OD1 ASP A 102 15.665 47.710 14.809 1.00 35.02 O ATOM 627 OD2 ASP A 102 15.699 46.873 16.841 1.00 35.32 O ATOM 628 H ASP A 102 13.789 43.275 14.183 1.00 0.00 H ATOM 629 N ILE A 103 17.791 44.568 14.880 1.00 26.36 N ATOM 630 CA ILE A 103 18.970 43.986 15.513 1.00 26.17 C ATOM 631 C ILE A 103 19.054 44.382 16.977 1.00 27.13 C ATOM 632 O ILE A 103 19.349 43.547 17.842 1.00 26.17 O ATOM 633 CB ILE A 103 20.228 44.384 14.734 1.00 28.78 C ATOM 634 CG1 ILE A 103 20.277 43.584 13.429 1.00 36.44 C ATOM 635 CG2 ILE A 103 21.493 44.129 15.568 1.00 28.08 C ATOM 636 CD1 ILE A 103 21.052 44.235 12.387 1.00 34.02 C ATOM 637 H ILE A 103 17.907 45.309 14.160 1.00 0.00 H ATOM 638 N GLU A 104 18.831 45.666 17.278 1.00 29.58 N ATOM 639 CA GLU A 104 18.896 46.112 18.664 1.00 30.31 C ATOM 640 C GLU A 104 17.884 45.359 19.523 1.00 28.01 C ATOM 641 O GLU A 104 18.200 44.935 20.641 1.00 28.78 O ATOM 642 CB GLU A 104 18.646 47.622 18.724 1.00 34.97 C ATOM 643 CG GLU A 104 19.134 48.285 19.982 1.00 38.37 C ATOM 644 CD GLU A 104 18.807 49.762 20.038 1.00 32.26 C ATOM 645 OE1 GLU A 104 18.067 50.290 19.158 1.00 33.52 O ATOM 646 OE2 GLU A 104 19.291 50.411 20.989 1.00 42.13 O ATOM 647 H GLU A 104 18.611 46.346 16.523 1.00 0.00 H ATOM 648 N SER A 105 16.663 45.175 19.008 1.00 25.95 N ATOM 649 CA SER A 105 15.637 44.444 19.751 1.00 28.17 C ATOM 650 C SER A 105 16.081 43.012 20.014 1.00 28.40 C ATOM 651 O SER A 105 15.954 42.515 21.133 1.00 28.75 O ATOM 652 CB SER A 105 14.308 44.443 18.987 1.00 31.64 C ATOM 653 OG SER A 105 13.763 45.738 18.852 1.00 35.87 O ATOM 654 HG SER A 105 12.909 45.685 18.354 1.00 0.00 H ATOM 655 H SER A 105 16.440 45.557 18.067 1.00 0.00 H ATOM 656 N TYR A 106 16.630 42.347 18.988 1.00 27.43 N ATOM 657 CA TYR A 106 17.037 40.946 19.098 1.00 30.12 C ATOM 658 C TYR A 106 18.162 40.778 20.114 1.00 29.29 C ATOM 659 O TYR A 106 18.154 39.838 20.919 1.00 32.77 O ATOM 660 CB TYR A 106 17.495 40.464 17.715 1.00 41.18 C ATOM 661 CG TYR A 106 18.307 39.185 17.713 1.00 37.98 C ATOM 662 CD1 TYR A 106 17.712 37.970 18.011 1.00 67.32 C ATOM 663 CD2 TYR A 106 19.664 39.190 17.394 1.00 54.12 C ATOM 664 CE1 TYR A 106 18.437 36.796 18.010 1.00 82.23 C ATOM 665 CE2 TYR A 106 20.398 38.019 17.392 1.00 66.57 C ATOM 666 CZ TYR A 106 19.776 36.822 17.701 1.00 74.23 C ATOM 667 OH TYR A 106 20.483 35.638 17.707 1.00 60.45 O ATOM 668 HH TYR A 106 21.216 35.696 18.370 1.00 0.00 H ATOM 669 H TYR A 106 16.771 42.843 18.085 1.00 0.00 H ATOM 670 N VAL A 107 19.115 41.708 20.113 1.00 27.58 N ATOM 671 CA VAL A 107 20.248 41.655 21.035 1.00 25.79 C ATOM 672 C VAL A 107 19.805 41.883 22.474 1.00 27.45 C ATOM 673 O VAL A 107 20.329 41.257 23.410 1.00 29.50 O ATOM 674 CB VAL A 107 21.292 42.698 20.603 1.00 28.17 C ATOM 675 CG1 VAL A 107 22.330 42.954 21.719 1.00 27.70 C ATOM 676 CG2 VAL A 107 21.965 42.249 19.308 1.00 25.17 C ATOM 677 H VAL A 107 19.051 42.495 19.436 1.00 0.00 H ATOM 678 N LEU A 108 18.882 42.816 22.687 1.00 28.12 N ATOM 679 CA LEU A 108 18.505 43.186 24.042 1.00 32.65 C ATOM 680 C LEU A 108 17.514 42.200 24.644 1.00 35.56 C ATOM 681 O LEU A 108 17.583 41.904 25.840 1.00 36.73 O ATOM 682 CB LEU A 108 17.885 44.586 24.052 1.00 30.94 C ATOM 683 CG LEU A 108 17.704 45.157 25.458 1.00 47.12 C ATOM 684 CD1 LEU A 108 19.048 45.510 26.059 1.00 57.57 C ATOM 685 CD2 LEU A 108 16.790 46.373 25.445 1.00 69.35 C ATOM 686 H LEU A 108 18.426 43.285 21.878 1.00 0.00 H ATOM 687 N VAL A 109 16.585 41.696 23.839 1.00 31.93 N ATOM 688 CA VAL A 109 15.462 40.892 24.313 1.00 35.19 C ATOM 689 C VAL A 109 15.424 39.638 23.463 1.00 41.77 C ATOM 690 O VAL A 109 15.026 39.691 22.293 1.00 46.23 O ATOM 691 CB VAL A 109 14.129 41.647 24.209 1.00 33.28 C ATOM 692 CG1 VAL A 109 12.969 40.732 24.576 1.00 45.92 C ATOM 693 CG2 VAL A 109 14.149 42.863 25.106 1.00 38.76 C ATOM 694 H VAL A 109 16.662 41.884 22.819 1.00 0.00 H ATOM 695 N ASN A 110 15.834 38.511 24.043 1.00 51.10 N ATOM 696 CA ASN A 110 15.848 37.255 23.306 1.00 67.73 C ATOM 697 C ASN A 110 14.464 36.988 22.732 1.00 53.27 C ATOM 698 O ASN A 110 13.464 36.991 23.458 1.00 48.56 O ATOM 699 CB ASN A 110 16.282 36.113 24.231 1.00 91.13 C ATOM 700 CG ASN A 110 16.516 34.809 23.487 1.00 89.40 C ATOM 701 OD1 ASN A 110 16.649 34.791 22.262 1.00 79.35 O ATOM 702 ND2 ASN A 110 16.577 33.709 24.229 1.00 91.40 N ATOM 703 HD22 ASN A 110 16.459 33.770 25.260 1.00 0.00 H ATOM 704 HD21 ASN A 110 16.743 32.786 23.778 1.00 0.00 H ATOM 705 H ASN A 110 16.148 38.528 25.034 1.00 0.00 H ATOM 706 N GLN A 111 14.412 36.781 21.414 1.00 41.66 N ATOM 707 CA GLN A 111 13.165 36.750 20.663 1.00 38.90 C ATOM 708 C GLN A 111 13.459 35.988 19.383 1.00 31.49 C ATOM 709 O GLN A 111 14.570 36.124 18.855 1.00 31.48 O ATOM 710 CB GLN A 111 12.734 38.183 20.325 1.00 46.05 C ATOM 711 CG GLN A 111 11.506 38.284 19.441 1.00 68.17 C ATOM 712 CD GLN A 111 10.845 39.661 19.475 1.00 79.31 C ATOM 713 OE1 GLN A 111 11.486 40.675 19.768 1.00 40.19 O ATOM 714 NE2 GLN A 111 9.548 39.696 19.175 1.00106.32 N ATOM 715 HE22 GLN A 111 9.046 38.818 18.934 1.00 0.00 H ATOM 716 HE21 GLN A 111 9.037 40.602 19.182 1.00 0.00 H ATOM 717 H GLN A 111 15.304 36.635 20.900 1.00 0.00 H ATOM 718 N PRO A 112 12.543 35.169 18.867 1.00 27.60 N ATOM 719 CA PRO A 112 12.846 34.466 17.615 1.00 33.47 C ATOM 720 C PRO A 112 13.141 35.465 16.512 1.00 28.55 C ATOM 721 O PRO A 112 12.440 36.466 16.360 1.00 32.09 O ATOM 722 CB PRO A 112 11.567 33.682 17.320 1.00 33.95 C ATOM 723 CG PRO A 112 10.911 33.514 18.641 1.00 36.04 C ATOM 724 CD PRO A 112 11.240 34.766 19.418 1.00 38.31 C ATOM 725 N SER A 113 14.177 35.173 15.733 1.00 26.60 N ATOM 726 CA SER A 113 14.689 36.134 14.767 1.00 26.41 C ATOM 727 C SER A 113 15.161 35.425 13.506 1.00 27.26 C ATOM 728 O SER A 113 15.271 34.190 13.483 1.00 25.75 O ATOM 729 CB SER A 113 15.837 36.907 15.401 1.00 26.39 C ATOM 730 OG SER A 113 17.072 36.244 15.171 1.00 24.19 O ATOM 731 HG SER A 113 17.037 35.337 15.567 1.00 0.00 H ATOM 732 H SER A 113 14.630 34.241 15.815 1.00 0.00 H ATOM 733 N PRO A 114 15.428 36.180 12.436 1.00 24.87 N ATOM 734 CA PRO A 114 16.033 35.605 11.228 1.00 25.44 C ATOM 735 C PRO A 114 17.533 35.427 11.332 1.00 21.56 C ATOM 736 O PRO A 114 18.160 35.032 10.339 1.00 24.57 O ATOM 737 CB PRO A 114 15.707 36.667 10.168 1.00 31.54 C ATOM 738 CG PRO A 114 15.743 37.931 10.935 1.00 25.95 C ATOM 739 CD PRO A 114 15.103 37.606 12.251 1.00 27.53 C ATOM 740 N TYR A 115 18.121 35.757 12.470 1.00 21.46 N ATOM 741 CA TYR A 115 19.569 35.822 12.624 1.00 19.79 C ATOM 742 C TYR A 115 20.103 34.620 13.390 1.00 19.21 C ATOM 743 O TYR A 115 19.454 34.092 14.299 1.00 21.54 O ATOM 744 CB TYR A 115 19.961 37.088 13.404 1.00 20.97 C ATOM 745 CG TYR A 115 19.444 38.349 12.786 1.00 21.67 C ATOM 746 CD1 TYR A 115 19.967 38.810 11.582 1.00 22.60 C ATOM 747 CD2 TYR A 115 18.431 39.087 13.385 1.00 23.70 C ATOM 748 CE1 TYR A 115 19.480 39.960 10.987 1.00 22.86 C ATOM 749 CE2 TYR A 115 17.961 40.240 12.812 1.00 24.72 C ATOM 750 CZ TYR A 115 18.484 40.672 11.611 1.00 23.74 C ATOM 751 OH TYR A 115 18.005 41.815 11.035 1.00 26.87 O ATOM 752 HH TYR A 115 18.148 42.578 11.650 1.00 0.00 H ATOM 753 H TYR A 115 17.524 35.980 13.292 1.00 0.00 H ATOM 754 N VAL A 116 21.313 34.199 13.031 1.00 18.51 N ATOM 755 CA VAL A 116 22.110 33.324 13.878 1.00 19.16 C ATOM 756 C VAL A 116 23.262 34.148 14.430 1.00 17.33 C ATOM 757 O VAL A 116 24.053 34.705 13.657 1.00 18.11 O ATOM 758 CB VAL A 116 22.620 32.088 13.126 1.00 19.45 C ATOM 759 CG1 VAL A 116 23.589 31.297 13.991 1.00 19.70 C ATOM 760 CG2 VAL A 116 21.446 31.198 12.715 1.00 21.24 C ATOM 761 H VAL A 116 21.702 34.505 12.116 1.00 0.00 H ATOM 762 N SER A 117 23.377 34.191 15.751 1.00 19.50 N ATOM 763 CA SER A 117 24.409 34.978 16.408 1.00 18.29 C ATOM 764 C SER A 117 25.717 34.219 16.446 1.00 16.72 C ATOM 765 O SER A 117 25.762 33.028 16.746 1.00 17.89 O ATOM 766 CB SER A 117 24.023 35.280 17.844 1.00 20.17 C ATOM 767 OG SER A 117 22.879 36.125 17.872 1.00 25.52 O ATOM 768 HG SER A 117 22.635 36.317 18.812 1.00 0.00 H ATOM 769 H SER A 117 22.710 33.646 16.334 1.00 0.00 H ATOM 770 N THR A 118 26.795 34.945 16.172 1.00 16.43 N ATOM 771 CA THR A 118 28.166 34.463 16.302 1.00 15.39 C ATOM 772 C THR A 118 28.953 35.588 16.945 1.00 14.02 C ATOM 773 O THR A 118 28.461 36.704 17.115 1.00 15.66 O ATOM 774 CB THR A 118 28.790 34.098 14.943 1.00 17.20 C ATOM 775 OG1 THR A 118 29.051 35.287 14.186 1.00 16.64 O ATOM 776 CG2 THR A 118 27.862 33.139 14.142 1.00 17.73 C ATOM 777 HG1 THR A 118 28.202 35.773 14.034 1.00 0.00 H ATOM 778 H THR A 118 26.652 35.921 15.843 1.00 0.00 H ATOM 779 N THR A 119 30.219 35.313 17.247 1.00 14.39 N ATOM 780 CA THR A 119 31.067 36.314 17.870 1.00 13.36 C ATOM 781 C THR A 119 32.470 36.284 17.283 1.00 14.98 C ATOM 782 O THR A 119 32.979 35.236 16.901 1.00 14.88 O ATOM 783 CB THR A 119 31.125 36.104 19.411 1.00 13.48 C ATOM 784 OG1 THR A 119 32.006 37.044 20.008 1.00 15.79 O ATOM 785 CG2 THR A 119 31.551 34.709 19.768 1.00 16.13 C ATOM 786 HG1 THR A 119 31.685 37.961 19.820 1.00 0.00 H ATOM 787 H THR A 119 30.606 34.371 17.035 1.00 0.00 H ATOM 788 N TYR A 120 33.120 37.443 17.352 1.00 15.01 N ATOM 789 CA TYR A 120 34.537 37.527 17.063 1.00 14.20 C ATOM 790 C TYR A 120 35.396 36.938 18.175 1.00 14.86 C ATOM 791 O TYR A 120 36.594 36.712 17.965 1.00 16.51 O ATOM 792 CB TYR A 120 34.936 38.999 16.915 1.00 15.75 C ATOM 793 CG TYR A 120 34.424 39.740 15.703 1.00 14.74 C ATOM 794 CD1 TYR A 120 34.951 39.501 14.447 1.00 15.15 C ATOM 795 CD2 TYR A 120 33.501 40.777 15.835 1.00 15.06 C ATOM 796 CE1 TYR A 120 34.536 40.218 13.340 1.00 16.61 C ATOM 797 CE2 TYR A 120 33.069 41.491 14.720 1.00 17.58 C ATOM 798 CZ TYR A 120 33.617 41.216 13.485 1.00 17.29 C ATOM 799 OH TYR A 120 33.220 41.915 12.366 1.00 20.17 O ATOM 800 HH TYR A 120 33.409 42.878 12.496 1.00 0.00 H ATOM 801 H TYR A 120 32.601 38.304 17.618 1.00 0.00 H ATOM 802 N ASP A 121 34.827 36.688 19.353 1.00 15.81 N ATOM 803 CA ASP A 121 35.577 36.327 20.561 1.00 14.97 C ATOM 804 C ASP A 121 35.557 34.816 20.773 1.00 15.08 C ATOM 805 O ASP A 121 34.519 34.239 21.163 1.00 14.99 O ATOM 806 CB ASP A 121 34.934 37.050 21.745 1.00 14.64 C ATOM 807 CG ASP A 121 35.642 36.811 23.050 1.00 18.68 C ATOM 808 OD1 ASP A 121 36.661 36.104 23.090 1.00 18.40 O ATOM 809 OD2 ASP A 121 35.137 37.362 24.074 1.00 23.16 O ATOM 810 H ASP A 121 33.791 36.752 19.420 1.00 0.00 H ATOM 811 N HIS A 122 36.711 34.183 20.555 1.00 14.26 N ATOM 812 CA HIS A 122 36.872 32.758 20.797 1.00 13.36 C ATOM 813 C HIS A 122 36.378 32.336 22.173 1.00 14.25 C ATOM 814 O HIS A 122 35.886 31.205 22.332 1.00 15.58 O ATOM 815 CB HIS A 122 38.343 32.395 20.623 1.00 14.40 C ATOM 816 CG HIS A 122 38.648 30.983 21.013 1.00 15.82 C ATOM 817 ND1 HIS A 122 38.948 30.615 22.306 1.00 16.19 N ATOM 818 CD2 HIS A 122 38.616 29.833 20.295 1.00 17.84 C ATOM 819 CE1 HIS A 122 39.109 29.309 22.366 1.00 17.57 C ATOM 820 NE2 HIS A 122 38.915 28.805 21.161 1.00 19.98 N ATOM 821 H HIS A 122 37.523 34.727 20.200 1.00 0.00 H ATOM 822 N ASP A 123 36.565 33.188 23.168 1.00 15.96 N ATOM 823 CA ASP A 123 36.316 32.853 24.573 1.00 15.24 C ATOM 824 C ASP A 123 34.910 33.187 25.071 1.00 15.51 C ATOM 825 O ASP A 123 34.643 33.012 26.262 1.00 17.43 O ATOM 826 CB ASP A 123 37.336 33.555 25.470 1.00 14.93 C ATOM 827 CG ASP A 123 38.734 33.107 25.206 1.00 18.77 C ATOM 828 OD1 ASP A 123 38.949 31.955 24.800 1.00 18.44 O ATOM 829 OD2 ASP A 123 39.616 33.951 25.390 1.00 30.40 O ATOM 830 H ASP A 123 36.906 34.144 22.942 1.00 0.00 H ATOM 831 N LEU A 124 34.020 33.676 24.213 1.00 14.54 N ATOM 832 CA LEU A 124 32.717 34.075 24.718 1.00 13.48 C ATOM 833 C LEU A 124 31.964 32.876 25.266 1.00 14.90 C ATOM 834 O LEU A 124 31.071 33.033 26.112 1.00 15.43 O ATOM 835 CB LEU A 124 31.916 34.782 23.618 1.00 14.40 C ATOM 836 CG LEU A 124 30.649 35.503 24.153 1.00 15.32 C ATOM 837 CD1 LEU A 124 31.061 36.703 24.938 1.00 19.68 C ATOM 838 CD2 LEU A 124 29.814 35.928 22.991 1.00 16.05 C ATOM 839 H LEU A 124 34.251 33.771 23.203 1.00 0.00 H ATOM 840 N TYR A 125 32.293 31.678 24.818 1.00 14.14 N ATOM 841 CA TYR A 125 31.656 30.469 25.332 1.00 17.91 C ATOM 842 C TYR A 125 31.740 30.386 26.849 1.00 17.47 C ATOM 843 O TYR A 125 30.866 29.779 27.483 1.00 18.96 O ATOM 844 CB TYR A 125 32.285 29.209 24.693 1.00 17.68 C ATOM 845 CG TYR A 125 33.652 28.847 25.226 1.00 16.67 C ATOM 846 CD1 TYR A 125 33.810 28.005 26.312 1.00 18.80 C ATOM 847 CD2 TYR A 125 34.800 29.328 24.609 1.00 16.27 C ATOM 848 CE1 TYR A 125 35.061 27.698 26.793 1.00 17.86 C ATOM 849 CE2 TYR A 125 36.052 29.021 25.086 1.00 17.50 C ATOM 850 CZ TYR A 125 36.182 28.185 26.161 1.00 17.15 C ATOM 851 OH TYR A 125 37.395 27.867 26.715 1.00 18.36 O ATOM 852 HH TYR A 125 37.963 27.428 26.033 1.00 0.00 H ATOM 853 H TYR A 125 33.023 31.594 24.082 1.00 0.00 H ATOM 854 N LYS A 126 32.760 30.999 27.458 1.00 17.06 N ATOM 855 CA LYS A 126 32.923 30.945 28.906 1.00 18.32 C ATOM 856 C LYS A 126 31.807 31.679 29.633 1.00 19.30 C ATOM 857 O LYS A 126 31.621 31.447 30.834 1.00 22.64 O ATOM 858 CB LYS A 126 34.281 31.537 29.300 1.00 18.52 C ATOM 859 CG LYS A 126 35.473 30.774 28.729 1.00 18.86 C ATOM 860 CD LYS A 126 36.770 31.393 29.184 1.00 19.98 C ATOM 861 CE LYS A 126 37.963 30.604 28.639 1.00 22.99 C ATOM 862 NZ LYS A 126 38.134 29.327 29.364 1.00 23.19 N ATOM 863 HZ1 LYS A 126 38.296 29.521 30.373 1.00 0.00 H ATOM 864 HZ2 LYS A 126 37.276 28.750 29.255 1.00 0.00 H ATOM 865 HZ3 LYS A 126 38.950 28.814 28.973 1.00 0.00 H ATOM 866 H LYS A 126 33.452 31.525 26.887 1.00 0.00 H ATOM 867 N THR A 127 31.079 32.565 28.940 1.00 19.21 N ATOM 868 CA THR A 127 29.979 33.293 29.560 1.00 18.94 C ATOM 869 C THR A 127 28.648 32.595 29.399 1.00 20.97 C ATOM 870 O THR A 127 27.684 33.020 30.043 1.00 26.26 O ATOM 871 CB THR A 127 29.844 34.707 28.974 1.00 22.02 C ATOM 872 OG1 THR A 127 29.304 34.670 27.643 1.00 22.75 O ATOM 873 CG2 THR A 127 31.147 35.443 28.997 1.00 25.62 C ATOM 874 HG1 THR A 127 29.904 34.142 27.059 1.00 0.00 H ATOM 875 H THR A 127 31.303 32.737 27.939 1.00 0.00 H ATOM 876 N TRP A 128 28.562 31.597 28.529 1.00 29.70 N ATOM 877 CA TRP A 128 27.306 30.928 28.220 1.00 37.28 C ATOM 878 C TRP A 128 27.255 29.643 29.031 1.00 53.70 C ATOM 879 O TRP A 128 27.904 28.652 28.681 1.00 58.57 O ATOM 880 CB TRP A 128 27.220 30.633 26.729 1.00 33.14 C ATOM 881 CG TRP A 128 27.011 31.843 25.894 1.00 25.21 C ATOM 882 CD1 TRP A 128 27.925 32.467 25.097 1.00 25.04 C ATOM 883 CD2 TRP A 128 25.804 32.586 25.770 1.00 26.00 C ATOM 884 NE1 TRP A 128 27.353 33.558 24.486 1.00 30.09 N ATOM 885 CE2 TRP A 128 26.046 33.645 24.876 1.00 34.48 C ATOM 886 CE3 TRP A 128 24.529 32.451 26.325 1.00 30.52 C ATOM 887 CZ2 TRP A 128 25.065 34.568 24.538 1.00 35.57 C ATOM 888 CZ3 TRP A 128 23.557 33.366 25.981 1.00 44.27 C ATOM 889 CH2 TRP A 128 23.827 34.401 25.092 1.00 43.42 C ATOM 890 HE1 TRP A 128 27.835 34.210 23.835 1.00 0.00 H ATOM 891 H TRP A 128 29.427 31.279 28.048 1.00 0.00 H ATOM 892 N TYR A 129 26.486 29.658 30.104 1.00 58.36 N ATOM 893 CA TYR A 129 26.418 28.500 30.975 1.00 76.59 C ATOM 894 C TYR A 129 25.520 27.434 30.358 1.00 45.35 C ATOM 895 O TYR A 129 24.535 27.737 29.676 1.00 42.23 O ATOM 896 CB TYR A 129 25.968 28.934 32.368 1.00106.42 C ATOM 897 CG TYR A 129 26.972 29.897 32.974 1.00112.56 C ATOM 898 CD1 TYR A 129 28.115 29.428 33.611 1.00106.88 C ATOM 899 CD2 TYR A 129 26.802 31.274 32.865 1.00112.52 C ATOM 900 CE1 TYR A 129 29.045 30.299 34.146 1.00 99.49 C ATOM 901 CE2 TYR A 129 27.729 32.155 33.399 1.00103.41 C ATOM 902 CZ TYR A 129 28.849 31.662 34.038 1.00 93.92 C ATOM 903 OH TYR A 129 29.774 32.531 34.571 1.00 77.71 O ATOM 904 HH TYR A 129 30.508 32.014 34.989 1.00 0.00 H ATOM 905 H TYR A 129 25.925 30.505 30.326 1.00 0.00 H ATOM 906 N LYS A 130 25.925 26.182 30.525 1.00 37.26 N ATOM 907 CA LYS A 130 25.291 25.052 29.855 1.00 51.00 C ATOM 908 C LYS A 130 25.414 25.140 28.333 1.00 39.69 C ATOM 909 O LYS A 130 24.644 24.500 27.616 1.00 49.94 O ATOM 910 CB LYS A 130 23.818 24.902 30.261 1.00 45.76 C ATOM 911 CG LYS A 130 23.579 24.758 31.759 1.00 43.93 C ATOM 912 CD LYS A 130 23.193 26.081 32.414 1.00 40.57 C ATOM 913 CE LYS A 130 23.130 25.962 33.928 1.00 41.62 C ATOM 914 NZ LYS A 130 22.485 27.150 34.558 1.00 42.66 N ATOM 915 HZ1 LYS A 130 23.029 28.004 34.322 1.00 0.00 H ATOM 916 HZ2 LYS A 130 21.514 27.246 34.199 1.00 0.00 H ATOM 917 HZ3 LYS A 130 22.464 27.025 35.590 1.00 0.00 H ATOM 918 H LYS A 130 26.728 25.998 31.160 1.00 0.00 H ATOM 919 N SER A 131 26.280 25.904 27.742 1.00 46.18 N ATOM 920 CA SER A 131 26.309 25.796 26.283 1.00 45.00 C ATOM 921 C SER A 131 27.424 24.785 26.164 1.00 40.00 C ATOM 922 O SER A 131 28.504 25.042 26.540 1.00 41.75 O ATOM 923 CB SER A 131 26.611 27.091 25.530 1.00 45.10 C ATOM 924 OG SER A 131 26.091 27.116 24.197 1.00 31.02 O ATOM 925 HG SER A 131 26.322 27.979 23.770 1.00 0.00 H ATOM 926 H SER A 131 26.908 26.546 28.267 1.00 0.00 H ATOM 927 N GLY A 132 27.133 23.615 25.719 1.00 27.04 N ATOM 928 CA GLY A 132 28.051 22.541 25.663 1.00 23.47 C ATOM 929 C GLY A 132 29.092 22.543 24.591 1.00 19.36 C ATOM 930 O GLY A 132 29.957 21.749 24.697 1.00 21.56 O ATOM 931 H GLY A 132 26.164 23.448 25.380 1.00 0.00 H ATOM 932 N TYR A 133 28.974 23.413 23.591 1.00 18.54 N ATOM 933 CA TYR A 133 29.925 23.429 22.532 1.00 17.32 C ATOM 934 C TYR A 133 30.327 24.821 22.080 1.00 20.23 C ATOM 935 O TYR A 133 29.569 25.712 22.117 1.00 17.03 O ATOM 936 CB TYR A 133 29.272 22.735 21.331 1.00 20.25 C ATOM 937 CG TYR A 133 28.841 21.303 21.575 1.00 20.97 C ATOM 938 CD1 TYR A 133 29.707 20.284 21.438 1.00 22.03 C ATOM 939 CD2 TYR A 133 27.568 21.010 21.956 1.00 22.77 C ATOM 940 CE1 TYR A 133 29.325 18.994 21.686 1.00 26.14 C ATOM 941 CE2 TYR A 133 27.201 19.732 22.210 1.00 24.05 C ATOM 942 CZ TYR A 133 28.081 18.738 22.057 1.00 26.35 C ATOM 943 OH TYR A 133 27.722 17.457 22.290 1.00 30.77 O ATOM 944 HH TYR A 133 28.497 16.863 22.127 1.00 0.00 H ATOM 945 H TYR A 133 28.181 24.086 23.583 1.00 0.00 H ATOM 946 N ASN A 134 31.566 24.920 21.637 1.00 15.84 N ATOM 947 CA ASN A 134 32.083 26.126 20.993 1.00 15.32 C ATOM 948 C ASN A 134 32.333 25.770 19.525 1.00 16.37 C ATOM 949 O ASN A 134 33.271 25.036 19.211 1.00 16.78 O ATOM 950 CB ASN A 134 33.364 26.582 21.699 1.00 15.63 C ATOM 951 CG ASN A 134 33.744 28.003 21.365 1.00 17.44 C ATOM 952 OD1 ASN A 134 32.876 28.876 21.155 1.00 16.39 O ATOM 953 ND2 ASN A 134 35.060 28.265 21.303 1.00 15.72 N ATOM 954 HD22 ASN A 134 35.750 27.508 21.485 1.00 0.00 H ATOM 955 HD21 ASN A 134 35.389 29.224 21.073 1.00 0.00 H ATOM 956 H ASN A 134 32.202 24.105 21.751 1.00 0.00 H ATOM 957 N TYR A 135 31.502 26.284 18.627 1.00 14.63 N ATOM 958 CA TYR A 135 31.646 26.075 17.186 1.00 16.10 C ATOM 959 C TYR A 135 32.542 27.131 16.560 1.00 14.73 C ATOM 960 O TYR A 135 32.554 28.295 16.977 1.00 14.91 O ATOM 961 CB TYR A 135 30.279 26.100 16.509 1.00 17.34 C ATOM 962 CG TYR A 135 29.445 24.870 16.805 1.00 16.61 C ATOM 963 CD1 TYR A 135 28.592 24.819 17.895 1.00 16.68 C ATOM 964 CD2 TYR A 135 29.493 23.773 15.977 1.00 16.91 C ATOM 965 CE1 TYR A 135 27.833 23.687 18.163 1.00 16.70 C ATOM 966 CE2 TYR A 135 28.766 22.647 16.221 1.00 19.81 C ATOM 967 CZ TYR A 135 27.916 22.601 17.315 1.00 18.62 C ATOM 968 OH TYR A 135 27.213 21.445 17.513 1.00 21.58 O ATOM 969 HH TYR A 135 26.647 21.538 18.320 1.00 0.00 H ATOM 970 H TYR A 135 30.708 26.865 18.965 1.00 0.00 H ATOM 971 N TYR A 136 33.326 26.676 15.578 1.00 14.19 N ATOM 972 CA TYR A 136 34.293 27.468 14.832 1.00 14.23 C ATOM 973 C TYR A 136 33.749 27.628 13.419 1.00 14.58 C ATOM 974 O TYR A 136 33.358 26.642 12.791 1.00 15.97 O ATOM 975 CB TYR A 136 35.642 26.728 14.784 1.00 15.95 C ATOM 976 CG TYR A 136 36.376 26.630 16.097 1.00 14.65 C ATOM 977 CD1 TYR A 136 35.764 26.097 17.237 1.00 14.00 C ATOM 978 CD2 TYR A 136 37.650 27.098 16.232 1.00 15.87 C ATOM 979 CE1 TYR A 136 36.434 26.010 18.418 1.00 15.61 C ATOM 980 CE2 TYR A 136 38.315 27.047 17.441 1.00 16.36 C ATOM 981 CZ TYR A 136 37.683 26.512 18.547 1.00 15.53 C ATOM 982 OH TYR A 136 38.380 26.444 19.712 1.00 17.39 O ATOM 983 HH TYR A 136 37.809 26.043 20.414 1.00 0.00 H ATOM 984 H TYR A 136 33.238 25.671 15.325 1.00 0.00 H ATOM 985 N ILE A 137 33.649 28.878 12.957 1.00 13.96 N ATOM 986 CA ILE A 137 32.908 29.242 11.751 1.00 15.06 C ATOM 987 C ILE A 137 33.827 30.030 10.826 1.00 16.08 C ATOM 988 O ILE A 137 34.549 30.931 11.282 1.00 15.09 O ATOM 989 CB ILE A 137 31.672 30.077 12.130 1.00 16.34 C ATOM 990 CG1 ILE A 137 30.710 29.175 12.896 1.00 17.81 C ATOM 991 CG2 ILE A 137 30.984 30.703 10.911 1.00 17.58 C ATOM 992 CD1 ILE A 137 29.670 29.930 13.695 1.00 20.86 C ATOM 993 H ILE A 137 34.126 29.636 13.486 1.00 0.00 H ATOM 994 N ASP A 138 33.805 29.692 9.538 1.00 16.21 N ATOM 995 CA ASP A 138 34.590 30.419 8.539 1.00 16.67 C ATOM 996 C ASP A 138 33.609 30.744 7.419 1.00 17.40 C ATOM 997 O ASP A 138 33.405 29.962 6.495 1.00 17.81 O ATOM 998 CB ASP A 138 35.772 29.586 8.070 1.00 16.52 C ATOM 999 CG ASP A 138 36.546 30.233 6.926 1.00 19.74 C ATOM 1000 OD1 ASP A 138 36.500 31.474 6.771 1.00 18.86 O ATOM 1001 OD2 ASP A 138 37.235 29.500 6.191 1.00 20.09 O ATOM 1002 H ASP A 138 33.215 28.891 9.234 1.00 0.00 H ATOM 1003 N ALA A 139 32.938 31.889 7.557 1.00 17.92 N ATOM 1004 CA ALA A 139 31.826 32.227 6.687 1.00 19.18 C ATOM 1005 C ALA A 139 31.964 33.670 6.234 1.00 17.94 C ATOM 1006 O ALA A 139 32.399 34.525 7.021 1.00 19.10 O ATOM 1007 CB ALA A 139 30.480 32.113 7.435 1.00 19.30 C ATOM 1008 H ALA A 139 33.218 32.555 8.305 1.00 0.00 H ATOM 1009 N PRO A 140 31.577 33.968 5.005 1.00 18.46 N ATOM 1010 CA PRO A 140 31.617 35.351 4.524 1.00 20.69 C ATOM 1011 C PRO A 140 30.432 36.123 5.064 1.00 22.55 C ATOM 1012 O PRO A 140 29.349 35.574 5.272 1.00 22.68 O ATOM 1013 CB PRO A 140 31.492 35.209 3.000 1.00 23.78 C ATOM 1014 CG PRO A 140 30.736 33.942 2.804 1.00 25.80 C ATOM 1015 CD PRO A 140 31.146 33.032 3.948 1.00 21.17 C ATOM 1016 N GLY A 141 30.656 37.407 5.286 1.00 21.83 N ATOM 1017 CA GLY A 141 29.549 38.316 5.545 1.00 26.01 C ATOM 1018 C GLY A 141 29.127 38.383 6.992 1.00 21.64 C ATOM 1019 O GLY A 141 29.951 38.361 7.910 1.00 19.27 O ATOM 1020 H GLY A 141 31.630 37.770 5.275 1.00 0.00 H ATOM 1021 N GLY A 142 27.817 38.471 7.196 1.00 21.52 N ATOM 1022 CA GLY A 142 27.296 38.715 8.536 1.00 20.42 C ATOM 1023 C GLY A 142 27.200 40.193 8.842 1.00 21.55 C ATOM 1024 O GLY A 142 27.913 41.028 8.287 1.00 22.84 O ATOM 1025 H GLY A 142 27.160 38.365 6.396 1.00 0.00 H ATOM 1026 N VAL A 143 26.237 40.532 9.686 1.00 21.30 N ATOM 1027 CA VAL A 143 26.048 41.907 10.131 1.00 20.91 C ATOM 1028 C VAL A 143 26.894 42.127 11.382 1.00 20.69 C ATOM 1029 O VAL A 143 26.714 41.443 12.395 1.00 19.87 O ATOM 1030 CB VAL A 143 24.567 42.193 10.422 1.00 23.64 C ATOM 1031 CG1 VAL A 143 24.412 43.620 10.900 1.00 25.89 C ATOM 1032 CG2 VAL A 143 23.696 41.929 9.188 1.00 25.35 C ATOM 1033 H VAL A 143 25.596 39.794 10.042 1.00 0.00 H ATOM 1034 N ASP A 144 27.804 43.094 11.332 1.00 20.72 N ATOM 1035 CA ASP A 144 28.617 43.430 12.495 1.00 21.35 C ATOM 1036 C ASP A 144 27.752 44.246 13.448 1.00 24.25 C ATOM 1037 O ASP A 144 27.395 45.391 13.162 1.00 24.02 O ATOM 1038 CB ASP A 144 29.879 44.176 12.063 1.00 23.19 C ATOM 1039 CG ASP A 144 30.826 44.430 13.216 1.00 21.77 C ATOM 1040 OD1 ASP A 144 30.354 44.867 14.282 1.00 21.24 O ATOM 1041 OD2 ASP A 144 32.047 44.207 13.071 1.00 22.62 O ATOM 1042 H ASP A 144 27.939 43.622 10.446 1.00 0.00 H ATOM 1043 N VAL A 145 27.392 43.644 14.583 1.00 20.41 N ATOM 1044 CA VAL A 145 26.389 44.248 15.450 1.00 21.50 C ATOM 1045 C VAL A 145 26.872 45.588 15.982 1.00 20.62 C ATOM 1046 O VAL A 145 26.152 46.587 15.925 1.00 23.22 O ATOM 1047 CB VAL A 145 25.993 43.286 16.579 1.00 21.38 C ATOM 1048 CG1 VAL A 145 25.169 44.014 17.674 1.00 24.80 C ATOM 1049 CG2 VAL A 145 25.173 42.148 16.029 1.00 21.78 C ATOM 1050 H VAL A 145 27.830 42.739 14.850 1.00 0.00 H ATOM 1051 N ASN A 146 28.079 45.628 16.545 1.00 21.24 N ATOM 1052 CA ASN A 146 28.535 46.874 17.153 1.00 21.78 C ATOM 1053 C ASN A 146 28.754 47.975 16.116 1.00 23.96 C ATOM 1054 O ASN A 146 28.559 49.157 16.426 1.00 28.79 O ATOM 1055 CB ASN A 146 29.785 46.649 17.991 1.00 22.94 C ATOM 1056 CG ASN A 146 29.508 45.854 19.237 1.00 23.80 C ATOM 1057 OD1 ASN A 146 28.356 45.489 19.529 1.00 24.07 O ATOM 1058 ND2 ASN A 146 30.556 45.574 19.991 1.00 23.27 N ATOM 1059 HD22 ASN A 146 31.502 45.900 19.708 1.00 0.00 H ATOM 1060 HD21 ASN A 146 30.435 45.028 20.868 1.00 0.00 H ATOM 1061 H ASN A 146 28.687 44.784 16.551 1.00 0.00 H ATOM 1062 N LYS A 147 29.130 47.620 14.884 1.00 23.81 N ATOM 1063 CA LYS A 147 29.242 48.635 13.842 1.00 27.69 C ATOM 1064 C LYS A 147 27.875 49.134 13.400 1.00 29.25 C ATOM 1065 O LYS A 147 27.757 50.265 12.912 1.00 32.88 O ATOM 1066 CB LYS A 147 30.002 48.089 12.632 1.00 26.20 C ATOM 1067 CG LYS A 147 31.473 47.862 12.873 1.00 31.01 C ATOM 1068 CD LYS A 147 32.170 47.440 11.586 1.00 44.40 C ATOM 1069 CE LYS A 147 33.616 47.032 11.824 1.00 67.75 C ATOM 1070 NZ LYS A 147 34.389 48.110 12.492 1.00 89.89 N ATOM 1071 HZ1 LYS A 147 34.383 48.961 11.894 1.00 0.00 H ATOM 1072 HZ2 LYS A 147 33.954 48.328 13.411 1.00 0.00 H ATOM 1073 HZ3 LYS A 147 35.369 47.794 12.637 1.00 0.00 H ATOM 1074 H LYS A 147 29.342 46.625 14.669 1.00 0.00 H ATOM 1075 N THR A 148 26.846 48.302 13.540 1.00 26.92 N ATOM 1076 CA THR A 148 25.486 48.630 13.128 1.00 24.58 C ATOM 1077 C THR A 148 24.707 49.378 14.198 1.00 30.24 C ATOM 1078 O THR A 148 24.004 50.334 13.869 1.00 31.69 O ATOM 1079 CB THR A 148 24.762 47.331 12.755 1.00 24.38 C ATOM 1080 OG1 THR A 148 25.488 46.696 11.698 1.00 24.29 O ATOM 1081 CG2 THR A 148 23.331 47.570 12.305 1.00 29.22 C ATOM 1082 HG1 THR A 148 26.408 46.495 12.005 1.00 0.00 H ATOM 1083 H THR A 148 27.021 47.369 13.965 1.00 0.00 H ATOM 1084 N ILE A 149 24.818 48.982 15.468 1.00 27.35 N ATOM 1085 CA ILE A 149 24.055 49.626 16.538 1.00 32.44 C ATOM 1086 C ILE A 149 24.926 50.371 17.541 1.00 34.38 C ATOM 1087 O ILE A 149 24.388 50.928 18.511 1.00 37.87 O ATOM 1088 CB ILE A 149 23.091 48.655 17.250 1.00 30.33 C ATOM 1089 CG1 ILE A 149 23.860 47.629 18.099 1.00 30.47 C ATOM 1090 CG2 ILE A 149 22.151 47.989 16.225 1.00 32.07 C ATOM 1091 CD1 ILE A 149 22.971 46.765 18.995 1.00 29.84 C ATOM 1092 H ILE A 149 25.461 48.199 15.702 1.00 0.00 H ATOM 1093 N GLY A 150 26.237 50.423 17.341 1.00 33.23 N ATOM 1094 CA GLY A 150 27.122 51.078 18.283 1.00 37.66 C ATOM 1095 C GLY A 150 27.758 50.097 19.251 1.00 31.92 C ATOM 1096 O GLY A 150 27.371 48.930 19.358 1.00 31.09 O ATOM 1097 H GLY A 150 26.638 49.983 16.488 1.00 0.00 H ATOM 1098 N ASP A 151 28.768 50.591 19.974 1.00 33.99 N ATOM 1099 CA ASP A 151 29.516 49.766 20.919 1.00 33.35 C ATOM 1100 C ASP A 151 29.260 50.163 22.366 1.00 33.49 C ATOM 1101 O ASP A 151 30.069 49.850 23.248 1.00 37.49 O ATOM 1102 CB ASP A 151 31.017 49.771 20.610 1.00 41.00 C ATOM 1103 CG ASP A 151 31.643 51.152 20.704 1.00 45.87 C ATOM 1104 OD1 ASP A 151 30.973 52.106 21.146 1.00 43.30 O ATOM 1105 OD2 ASP A 151 32.828 51.277 20.337 1.00 55.18 O ATOM 1106 H ASP A 151 29.029 51.591 19.860 1.00 0.00 H ATOM 1107 N ARG A 152 28.135 50.821 22.628 1.00 40.28 N ATOM 1108 CA ARG A 152 27.796 51.314 23.954 1.00 47.21 C ATOM 1109 C ARG A 152 26.624 50.578 24.580 1.00 37.42 C ATOM 1110 O ARG A 152 26.310 50.829 25.749 1.00 45.41 O ATOM 1111 CB ARG A 152 27.446 52.809 23.884 1.00 68.08 C ATOM 1112 CG ARG A 152 28.534 53.677 23.276 1.00 87.44 C ATOM 1113 CD ARG A 152 29.756 53.754 24.171 1.00104.58 C ATOM 1114 NE ARG A 152 30.787 54.614 23.599 1.00112.96 N ATOM 1115 CZ ARG A 152 30.784 55.942 23.673 1.00112.54 C ATOM 1116 NH1 ARG A 152 29.800 56.578 24.296 1.00112.87 N ATOM 1117 NH2 ARG A 152 31.766 56.637 23.118 1.00108.70 N ATOM 1118 HE ARG A 152 31.577 54.158 23.100 1.00 0.00 H ATOM 1119 HH12 ARG A 152 29.804 57.617 24.350 1.00 0.00 H ATOM 1120 HH11 ARG A 152 29.025 56.038 24.730 1.00 0.00 H ATOM 1121 HH22 ARG A 152 31.765 57.675 23.175 1.00 0.00 H ATOM 1122 HH21 ARG A 152 32.538 56.144 22.625 1.00 0.00 H ATOM 1123 H ARG A 152 27.467 50.991 21.849 1.00 0.00 H ATOM 1124 N HIS A 153 25.963 49.697 23.837 1.00 36.13 N ATOM 1125 CA HIS A 153 24.814 48.990 24.373 1.00 32.59 C ATOM 1126 C HIS A 153 25.264 47.914 25.356 1.00 32.02 C ATOM 1127 O HIS A 153 26.448 47.566 25.457 1.00 30.78 O ATOM 1128 CB HIS A 153 23.987 48.384 23.240 1.00 33.19 C ATOM 1129 CG HIS A 153 24.718 47.350 22.448 1.00 27.76 C ATOM 1130 ND1 HIS A 153 24.644 46.001 22.721 1.00 26.26 N ATOM 1131 CD2 HIS A 153 25.564 47.476 21.398 1.00 30.55 C ATOM 1132 CE1 HIS A 153 25.400 45.339 21.862 1.00 27.63 C ATOM 1133 NE2 HIS A 153 25.959 46.213 21.043 1.00 27.09 N ATOM 1134 H HIS A 153 26.272 49.512 22.861 1.00 0.00 H ATOM 1135 N LYS A 154 24.281 47.394 26.097 1.00 34.66 N ATOM 1136 CA LYS A 154 24.554 46.523 27.232 1.00 32.84 C ATOM 1137 C LYS A 154 25.438 45.345 26.853 1.00 29.22 C ATOM 1138 O LYS A 154 26.259 44.894 27.657 1.00 31.62 O ATOM 1139 CB LYS A 154 23.226 46.019 27.795 1.00 40.34 C ATOM 1140 CG LYS A 154 23.364 45.156 29.022 1.00 48.63 C ATOM 1141 CD LYS A 154 22.084 45.150 29.854 1.00 58.35 C ATOM 1142 CE LYS A 154 20.883 44.631 29.070 1.00 72.33 C ATOM 1143 NZ LYS A 154 19.611 44.696 29.864 1.00 78.94 N ATOM 1144 HZ1 LYS A 154 19.710 44.117 30.722 1.00 0.00 H ATOM 1145 HZ2 LYS A 154 19.420 45.683 30.130 1.00 0.00 H ATOM 1146 HZ3 LYS A 154 18.825 44.333 29.288 1.00 0.00 H ATOM 1147 H LYS A 154 23.294 47.617 25.857 1.00 0.00 H ATOM 1148 N TRP A 155 25.248 44.803 25.655 1.00 27.57 N ATOM 1149 CA TRP A 155 25.900 43.564 25.245 1.00 24.58 C ATOM 1150 C TRP A 155 27.029 43.792 24.248 1.00 23.52 C ATOM 1151 O TRP A 155 27.419 42.866 23.520 1.00 24.87 O ATOM 1152 CB TRP A 155 24.848 42.603 24.694 1.00 26.45 C ATOM 1153 CG TRP A 155 23.897 42.203 25.774 1.00 28.30 C ATOM 1154 CD1 TRP A 155 22.582 42.499 25.856 1.00 31.50 C ATOM 1155 CD2 TRP A 155 24.224 41.468 26.956 1.00 28.19 C ATOM 1156 NE1 TRP A 155 22.045 41.984 27.025 1.00 34.43 N ATOM 1157 CE2 TRP A 155 23.039 41.326 27.703 1.00 31.50 C ATOM 1158 CE3 TRP A 155 25.404 40.886 27.439 1.00 31.82 C ATOM 1159 CZ2 TRP A 155 23.004 40.655 28.920 1.00 44.72 C ATOM 1160 CZ3 TRP A 155 25.365 40.211 28.645 1.00 50.75 C ATOM 1161 CH2 TRP A 155 24.172 40.102 29.373 1.00 57.01 C ATOM 1162 HE1 TRP A 155 21.057 42.080 27.335 1.00 0.00 H ATOM 1163 H TRP A 155 24.611 45.279 24.985 1.00 0.00 H ATOM 1164 N ALA A 156 27.602 44.995 24.234 1.00 23.32 N ATOM 1165 CA ALA A 156 28.653 45.269 23.260 1.00 20.79 C ATOM 1166 C ALA A 156 29.851 44.363 23.466 1.00 23.27 C ATOM 1167 O ALA A 156 30.572 44.083 22.502 1.00 23.67 O ATOM 1168 CB ALA A 156 29.088 46.730 23.350 1.00 26.57 C ATOM 1169 H ALA A 156 27.304 45.729 24.908 1.00 0.00 H ATOM 1170 N ASP A 157 30.077 43.892 24.699 1.00 24.33 N ATOM 1171 CA ASP A 157 31.256 43.058 24.908 1.00 26.71 C ATOM 1172 C ASP A 157 31.093 41.660 24.332 1.00 24.44 C ATOM 1173 O ASP A 157 32.063 40.894 24.355 1.00 27.76 O ATOM 1174 CB ASP A 157 31.645 42.995 26.392 1.00 32.05 C ATOM 1175 CG ASP A 157 32.410 44.231 26.858 1.00 48.08 C ATOM 1176 OD1 ASP A 157 33.006 44.942 26.017 1.00 39.56 O ATOM 1177 OD2 ASP A 157 32.425 44.485 28.080 1.00 59.91 O ATOM 1178 H ASP A 157 29.432 44.114 25.484 1.00 0.00 H ATOM 1179 N GLN A 158 29.950 41.341 23.731 1.00 20.43 N ATOM 1180 CA GLN A 158 29.814 40.083 23.023 1.00 19.82 C ATOM 1181 C GLN A 158 30.402 40.128 21.616 1.00 18.70 C ATOM 1182 O GLN A 158 30.505 39.076 20.972 1.00 16.88 O ATOM 1183 CB GLN A 158 28.348 39.696 22.882 1.00 21.43 C ATOM 1184 CG GLN A 158 27.599 39.456 24.159 1.00 25.96 C ATOM 1185 CD GLN A 158 26.215 38.910 23.852 1.00 29.47 C ATOM 1186 OE1 GLN A 158 25.422 39.526 23.092 1.00 33.16 O ATOM 1187 NE2 GLN A 158 25.920 37.751 24.405 1.00 44.05 N ATOM 1188 HE22 GLN A 158 26.609 37.281 25.026 1.00 0.00 H ATOM 1189 HE21 GLN A 158 24.998 37.306 24.220 1.00 0.00 H ATOM 1190 H GLN A 158 29.146 42.000 23.769 1.00 0.00 H ATOM 1191 N VAL A 159 30.729 41.324 21.115 1.00 18.28 N ATOM 1192 CA VAL A 159 31.341 41.518 19.799 1.00 17.29 C ATOM 1193 C VAL A 159 30.714 40.585 18.761 1.00 18.15 C ATOM 1194 O VAL A 159 31.384 39.769 18.099 1.00 16.83 O ATOM 1195 CB VAL A 159 32.882 41.504 19.843 1.00 16.78 C ATOM 1196 CG1 VAL A 159 33.395 42.678 20.639 1.00 19.16 C ATOM 1197 CG2 VAL A 159 33.428 40.193 20.387 1.00 16.81 C ATOM 1198 H VAL A 159 30.537 42.166 21.694 1.00 0.00 H ATOM 1199 N GLU A 160 29.412 40.753 18.584 1.00 17.74 N ATOM 1200 CA GLU A 160 28.554 39.836 17.852 1.00 16.01 C ATOM 1201 C GLU A 160 28.577 40.134 16.360 1.00 16.63 C ATOM 1202 O GLU A 160 28.663 41.290 15.929 1.00 18.74 O ATOM 1203 CB GLU A 160 27.121 39.952 18.378 1.00 17.71 C ATOM 1204 CG GLU A 160 26.171 38.987 17.736 1.00 20.39 C ATOM 1205 CD GLU A 160 24.780 39.055 18.292 1.00 28.41 C ATOM 1206 OE1 GLU A 160 24.594 39.703 19.342 1.00 24.77 O ATOM 1207 OE2 GLU A 160 23.888 38.449 17.658 1.00 29.24 O ATOM 1208 H GLU A 160 28.973 41.600 18.998 1.00 0.00 H ATOM 1209 N VAL A 161 28.458 39.067 15.584 1.00 17.67 N ATOM 1210 CA VAL A 161 28.190 39.116 14.153 1.00 16.97 C ATOM 1211 C VAL A 161 26.924 38.290 13.936 1.00 17.64 C ATOM 1212 O VAL A 161 26.870 37.096 14.284 1.00 18.29 O ATOM 1213 CB VAL A 161 29.370 38.576 13.325 1.00 16.68 C ATOM 1214 CG1 VAL A 161 29.028 38.566 11.826 1.00 18.93 C ATOM 1215 CG2 VAL A 161 30.649 39.391 13.577 1.00 17.23 C ATOM 1216 H VAL A 161 28.563 38.132 16.026 1.00 0.00 H ATOM 1217 N ALA A 162 25.899 38.922 13.371 1.00 18.44 N ATOM 1218 CA ALA A 162 24.598 38.288 13.193 1.00 18.84 C ATOM 1219 C ALA A 162 24.415 37.867 11.741 1.00 19.28 C ATOM 1220 O ALA A 162 24.467 38.709 10.833 1.00 21.42 O ATOM 1221 CB ALA A 162 23.488 39.256 13.574 1.00 20.71 C ATOM 1222 H ALA A 162 26.030 39.901 13.045 1.00 0.00 H ATOM 1223 N PHE A 163 24.173 36.574 11.518 1.00 18.84 N ATOM 1224 CA PHE A 163 24.053 36.043 10.167 1.00 19.51 C ATOM 1225 C PHE A 163 22.592 35.956 9.750 1.00 20.46 C ATOM 1226 O PHE A 163 21.865 35.068 10.229 1.00 20.48 O ATOM 1227 CB PHE A 163 24.738 34.678 10.039 1.00 19.43 C ATOM 1228 CG PHE A 163 26.211 34.808 9.851 1.00 18.23 C ATOM 1229 CD1 PHE A 163 26.753 34.939 8.584 1.00 18.63 C ATOM 1230 CD2 PHE A 163 27.054 34.913 10.950 1.00 18.33 C ATOM 1231 CE1 PHE A 163 28.111 35.125 8.411 1.00 18.64 C ATOM 1232 CE2 PHE A 163 28.408 35.108 10.793 1.00 17.41 C ATOM 1233 CZ PHE A 163 28.945 35.219 9.527 1.00 17.64 C ATOM 1234 H PHE A 163 24.068 35.930 12.328 1.00 0.00 H ATOM 1235 N PRO A 164 22.096 36.852 8.896 1.00 20.61 N ATOM 1236 CA PRO A 164 20.696 36.745 8.450 1.00 21.56 C ATOM 1237 C PRO A 164 20.518 35.527 7.560 1.00 26.57 C ATOM 1238 O PRO A 164 21.260 35.337 6.591 1.00 24.91 O ATOM 1239 CB PRO A 164 20.454 38.047 7.678 1.00 22.83 C ATOM 1240 CG PRO A 164 21.664 38.916 7.935 1.00 22.25 C ATOM 1241 CD PRO A 164 22.794 37.964 8.237 1.00 22.34 C ATOM 1242 N GLY A 165 19.554 34.686 7.904 1.00 25.41 N ATOM 1243 CA GLY A 165 19.371 33.428 7.224 1.00 26.01 C ATOM 1244 C GLY A 165 20.262 32.327 7.736 1.00 22.21 C ATOM 1245 O GLY A 165 20.217 31.214 7.196 1.00 25.53 O ATOM 1246 H GLY A 165 18.914 34.939 8.683 1.00 0.00 H ATOM 1247 N GLY A 166 21.053 32.596 8.766 1.00 21.97 N ATOM 1248 CA GLY A 166 21.941 31.596 9.320 1.00 20.28 C ATOM 1249 C GLY A 166 23.130 31.301 8.432 1.00 20.60 C ATOM 1250 O GLY A 166 23.601 32.150 7.675 1.00 21.88 O ATOM 1251 H GLY A 166 21.035 33.548 9.185 1.00 0.00 H ATOM 1252 N ILE A 167 23.646 30.084 8.590 1.00 21.21 N ATOM 1253 CA ILE A 167 24.978 29.716 8.104 1.00 19.71 C ATOM 1254 C ILE A 167 24.935 28.277 7.619 1.00 22.03 C ATOM 1255 O ILE A 167 24.669 27.358 8.409 1.00 21.86 O ATOM 1256 CB ILE A 167 26.026 29.832 9.221 1.00 20.20 C ATOM 1257 CG1 ILE A 167 25.995 31.216 9.890 1.00 20.69 C ATOM 1258 CG2 ILE A 167 27.432 29.529 8.661 1.00 19.61 C ATOM 1259 CD1 ILE A 167 26.815 31.266 11.149 1.00 20.87 C ATOM 1260 H ILE A 167 23.079 29.363 9.080 1.00 0.00 H ATOM 1261 N ARG A 168 25.248 28.068 6.337 1.00 22.36 N ATOM 1262 CA ARG A 168 25.294 26.724 5.777 1.00 22.67 C ATOM 1263 C ARG A 168 26.429 25.916 6.395 1.00 21.78 C ATOM 1264 O ARG A 168 27.457 26.458 6.807 1.00 20.31 O ATOM 1265 CB ARG A 168 25.504 26.785 4.258 1.00 26.94 C ATOM 1266 CG ARG A 168 24.299 27.302 3.494 1.00 29.22 C ATOM 1267 CD ARG A 168 24.334 26.878 2.036 1.00 38.60 C ATOM 1268 NE ARG A 168 25.404 27.536 1.289 1.00 38.78 N ATOM 1269 CZ ARG A 168 25.375 28.806 0.894 1.00 54.90 C ATOM 1270 NH1 ARG A 168 24.334 29.576 1.187 1.00 47.15 N ATOM 1271 NH2 ARG A 168 26.394 29.313 0.209 1.00 63.34 N ATOM 1272 HE ARG A 168 26.245 26.973 1.050 1.00 0.00 H ATOM 1273 HH12 ARG A 168 24.317 30.568 0.875 1.00 0.00 H ATOM 1274 HH11 ARG A 168 23.535 29.187 1.728 1.00 0.00 H ATOM 1275 HH22 ARG A 168 26.371 30.306 -0.099 1.00 0.00 H ATOM 1276 HH21 ARG A 168 27.215 28.717 -0.019 1.00 0.00 H ATOM 1277 H ARG A 168 25.463 28.882 5.726 1.00 0.00 H ATOM 1278 N THR A 169 26.266 24.592 6.377 1.00 22.81 N ATOM 1279 CA THR A 169 27.249 23.724 7.019 1.00 21.47 C ATOM 1280 C THR A 169 28.633 23.840 6.374 1.00 23.64 C ATOM 1281 O THR A 169 29.641 23.682 7.077 1.00 21.39 O ATOM 1282 CB THR A 169 26.774 22.266 7.010 1.00 22.34 C ATOM 1283 OG1 THR A 169 27.750 21.450 7.674 1.00 24.91 O ATOM 1284 CG2 THR A 169 26.555 21.754 5.580 1.00 26.90 C ATOM 1285 HG1 THR A 169 27.448 20.507 7.671 1.00 0.00 H ATOM 1286 H THR A 169 25.437 24.177 5.905 1.00 0.00 H ATOM 1287 N GLU A 170 28.710 24.170 5.081 1.00 23.36 N ATOM 1288 CA GLU A 170 30.021 24.276 4.427 1.00 22.54 C ATOM 1289 C GLU A 170 30.883 25.356 5.072 1.00 22.70 C ATOM 1290 O GLU A 170 32.097 25.395 4.816 1.00 22.12 O ATOM 1291 CB GLU A 170 29.873 24.532 2.922 1.00 26.71 C ATOM 1292 CG GLU A 170 29.310 25.892 2.550 1.00 30.41 C ATOM 1293 CD GLU A 170 29.004 26.028 1.080 1.00 53.48 C ATOM 1294 OE1 GLU A 170 29.960 26.187 0.282 1.00 47.53 O ATOM 1295 OE2 GLU A 170 27.802 25.973 0.733 1.00 50.38 O ATOM 1296 H GLU A 170 27.842 24.352 4.538 1.00 0.00 H ATOM 1297 N PHE A 171 30.287 26.259 5.838 1.00 19.58 N ATOM 1298 CA PHE A 171 31.024 27.337 6.497 1.00 18.81 C ATOM 1299 C PHE A 171 31.278 27.081 7.969 1.00 18.88 C ATOM 1300 O PHE A 171 31.809 27.960 8.663 1.00 19.79 O ATOM 1301 CB PHE A 171 30.306 28.678 6.313 1.00 19.31 C ATOM 1302 CG PHE A 171 30.052 29.019 4.888 1.00 20.81 C ATOM 1303 CD1 PHE A 171 31.101 29.315 4.021 1.00 20.89 C ATOM 1304 CD2 PHE A 171 28.765 29.004 4.376 1.00 29.76 C ATOM 1305 CE1 PHE A 171 30.865 29.607 2.699 1.00 28.50 C ATOM 1306 CE2 PHE A 171 28.533 29.301 3.052 1.00 29.04 C ATOM 1307 CZ PHE A 171 29.574 29.610 2.219 1.00 28.04 C ATOM 1308 H PHE A 171 29.258 26.199 5.975 1.00 0.00 H ATOM 1309 N VAL A 172 30.902 25.910 8.469 1.00 18.48 N ATOM 1310 CA VAL A 172 31.173 25.519 9.849 1.00 17.15 C ATOM 1311 C VAL A 172 32.427 24.650 9.825 1.00 18.47 C ATOM 1312 O VAL A 172 32.430 23.552 9.259 1.00 19.08 O ATOM 1313 CB VAL A 172 29.980 24.789 10.475 1.00 19.93 C ATOM 1314 CG1 VAL A 172 30.341 24.340 11.882 1.00 21.29 C ATOM 1315 CG2 VAL A 172 28.766 25.715 10.491 1.00 20.62 C ATOM 1316 H VAL A 172 30.394 25.244 7.852 1.00 0.00 H ATOM 1317 N ILE A 173 33.505 25.145 10.442 1.00 17.50 N ATOM 1318 CA ILE A 173 34.773 24.419 10.440 1.00 17.96 C ATOM 1319 C ILE A 173 34.669 23.154 11.273 1.00 17.93 C ATOM 1320 O ILE A 173 35.119 22.079 10.870 1.00 19.38 O ATOM 1321 CB ILE A 173 35.907 25.290 10.997 1.00 17.52 C ATOM 1322 CG1 ILE A 173 36.070 26.603 10.243 1.00 19.92 C ATOM 1323 CG2 ILE A 173 37.185 24.492 10.962 1.00 18.46 C ATOM 1324 CD1 ILE A 173 36.871 27.609 11.037 1.00 17.76 C ATOM 1325 H ILE A 173 33.440 26.061 10.931 1.00 0.00 H ATOM 1326 N GLY A 174 34.110 23.279 12.471 1.00 17.45 N ATOM 1327 CA GLY A 174 34.178 22.217 13.462 1.00 18.55 C ATOM 1328 C GLY A 174 33.717 22.742 14.801 1.00 17.52 C ATOM 1329 O GLY A 174 33.119 23.814 14.879 1.00 16.80 O ATOM 1330 H GLY A 174 33.610 24.160 12.707 1.00 0.00 H ATOM 1331 N VAL A 175 34.024 21.985 15.851 1.00 18.04 N ATOM 1332 CA VAL A 175 33.476 22.275 17.168 1.00 15.50 C ATOM 1333 C VAL A 175 34.406 21.716 18.225 1.00 16.89 C ATOM 1334 O VAL A 175 35.068 20.702 18.021 1.00 18.14 O ATOM 1335 CB VAL A 175 32.057 21.664 17.290 1.00 19.28 C ATOM 1336 CG1 VAL A 175 32.110 20.114 17.307 1.00 22.34 C ATOM 1337 CG2 VAL A 175 31.318 22.154 18.551 1.00 19.39 C ATOM 1338 H VAL A 175 34.664 21.175 15.729 1.00 0.00 H ATOM 1339 N CYS A 176 34.392 22.341 19.400 1.00 17.48 N ATOM 1340 CA CYS A 176 35.015 21.771 20.580 1.00 16.81 C ATOM 1341 C CYS A 176 33.986 21.717 21.709 1.00 18.02 C ATOM 1342 O CYS A 176 33.357 22.750 22.020 1.00 19.18 O ATOM 1343 CB CYS A 176 36.233 22.599 21.047 1.00 15.81 C ATOM 1344 SG CYS A 176 37.613 22.622 19.889 1.00 18.21 S ATOM 1345 H CYS A 176 33.921 23.265 19.475 1.00 0.00 H ATOM 1346 N PRO A 177 33.811 20.576 22.357 1.00 18.33 N ATOM 1347 CA PRO A 177 32.928 20.529 23.529 1.00 19.08 C ATOM 1348 C PRO A 177 33.546 21.290 24.691 1.00 22.03 C ATOM 1349 O PRO A 177 34.770 21.441 24.794 1.00 21.40 O ATOM 1350 CB PRO A 177 32.836 19.039 23.853 1.00 23.11 C ATOM 1351 CG PRO A 177 33.487 18.328 22.769 1.00 28.47 C ATOM 1352 CD PRO A 177 34.433 19.268 22.098 1.00 20.25 C ATOM 1353 N VAL A 178 32.677 21.733 25.590 1.00 19.58 N ATOM 1354 CA VAL A 178 33.054 22.600 26.703 1.00 21.66 C ATOM 1355 C VAL A 178 32.843 21.846 28.000 1.00 20.47 C ATOM 1356 O VAL A 178 31.749 21.313 28.255 1.00 23.64 O ATOM 1357 CB VAL A 178 32.258 23.916 26.690 1.00 22.10 C ATOM 1358 CG1 VAL A 178 32.584 24.750 27.938 1.00 22.19 C ATOM 1359 CG2 VAL A 178 32.563 24.713 25.438 1.00 22.05 C ATOM 1360 H VAL A 178 31.681 21.450 25.498 1.00 0.00 H ATOM 1361 N ASP A 179 33.864 21.841 28.847 1.00 21.09 N ATOM 1362 CA ASP A 179 33.725 21.298 30.187 1.00 24.84 C ATOM 1363 C ASP A 179 33.009 22.325 31.037 1.00 23.88 C ATOM 1364 O ASP A 179 33.535 23.412 31.277 1.00 25.10 O ATOM 1365 CB ASP A 179 35.085 21.014 30.799 1.00 23.52 C ATOM 1366 CG ASP A 179 34.955 20.477 32.209 1.00 34.49 C ATOM 1367 OD1 ASP A 179 34.263 19.458 32.406 1.00 35.84 O ATOM 1368 OD2 ASP A 179 35.456 21.132 33.134 1.00 32.91 O ATOM 1369 H ASP A 179 34.779 22.232 28.546 1.00 0.00 H ATOM 1370 N LYS A 180 31.840 21.961 31.548 1.00 26.22 N ATOM 1371 CA LYS A 180 30.990 22.940 32.220 1.00 29.37 C ATOM 1372 C LYS A 180 31.626 23.470 33.503 1.00 28.22 C ATOM 1373 O LYS A 180 31.553 24.675 33.781 1.00 33.07 O ATOM 1374 CB LYS A 180 29.623 22.330 32.512 1.00 39.59 C ATOM 1375 CG LYS A 180 28.608 23.346 32.969 1.00 63.21 C ATOM 1376 CD LYS A 180 27.302 22.691 33.367 1.00 89.10 C ATOM 1377 CE LYS A 180 26.343 23.720 33.934 1.00109.40 C ATOM 1378 NZ LYS A 180 26.874 24.366 35.167 1.00120.40 N ATOM 1379 HZ1 LYS A 180 27.037 23.641 35.894 1.00 0.00 H ATOM 1380 HZ2 LYS A 180 27.770 24.846 34.947 1.00 0.00 H ATOM 1381 HZ3 LYS A 180 26.184 25.061 35.517 1.00 0.00 H ATOM 1382 H LYS A 180 31.527 20.972 31.469 1.00 0.00 H ATOM 1383 N LYS A 181 32.285 22.608 34.275 1.00 27.70 N ATOM 1384 CA LYS A 181 32.728 23.023 35.602 1.00 33.38 C ATOM 1385 C LYS A 181 33.905 23.989 35.545 1.00 26.73 C ATOM 1386 O LYS A 181 34.030 24.851 36.424 1.00 29.16 O ATOM 1387 CB LYS A 181 33.058 21.809 36.472 1.00 48.83 C ATOM 1388 CG LYS A 181 31.894 21.348 37.348 1.00 76.86 C ATOM 1389 CD LYS A 181 32.342 20.348 38.411 1.00 93.17 C ATOM 1390 CE LYS A 181 31.208 19.992 39.361 1.00102.90 C ATOM 1391 NZ LYS A 181 30.050 19.385 38.655 1.00109.48 N ATOM 1392 HZ1 LYS A 181 29.683 20.058 37.952 1.00 0.00 H ATOM 1393 HZ2 LYS A 181 30.355 18.514 38.176 1.00 0.00 H ATOM 1394 HZ3 LYS A 181 29.304 19.160 39.344 1.00 0.00 H ATOM 1395 H LYS A 181 32.483 21.645 33.934 1.00 0.00 H ATOM 1396 N THR A 182 34.770 23.872 34.537 1.00 25.75 N ATOM 1397 CA THR A 182 35.902 24.772 34.398 1.00 26.34 C ATOM 1398 C THR A 182 35.713 25.789 33.286 1.00 25.50 C ATOM 1399 O THR A 182 36.545 26.691 33.149 1.00 24.60 O ATOM 1400 CB THR A 182 37.186 23.972 34.129 1.00 26.18 C ATOM 1401 OG1 THR A 182 37.018 23.194 32.947 1.00 26.15 O ATOM 1402 CG2 THR A 182 37.515 23.053 35.312 1.00 26.06 C ATOM 1403 HG1 THR A 182 36.258 22.571 33.069 1.00 0.00 H ATOM 1404 H THR A 182 34.631 23.119 33.834 1.00 0.00 H ATOM 1405 N ARG A 183 34.659 25.672 32.482 1.00 21.62 N ATOM 1406 CA ARG A 183 34.450 26.576 31.344 1.00 21.80 C ATOM 1407 C ARG A 183 35.668 26.581 30.420 1.00 18.86 C ATOM 1408 O ARG A 183 36.149 27.631 30.003 1.00 21.29 O ATOM 1409 CB ARG A 183 34.130 27.996 31.823 1.00 25.43 C ATOM 1410 CG ARG A 183 32.898 28.076 32.723 1.00 27.02 C ATOM 1411 CD ARG A 183 32.813 29.391 33.484 1.00 31.42 C ATOM 1412 NE ARG A 183 34.024 29.714 34.239 1.00 31.54 N ATOM 1413 CZ ARG A 183 34.386 29.148 35.382 1.00 35.45 C ATOM 1414 NH1 ARG A 183 33.625 28.218 35.956 1.00 38.84 N ATOM 1415 NH2 ARG A 183 35.524 29.520 35.960 1.00 45.60 N ATOM 1416 HE ARG A 183 34.651 30.446 33.848 1.00 0.00 H ATOM 1417 HH12 ARG A 183 33.923 27.783 36.853 1.00 0.00 H ATOM 1418 HH11 ARG A 183 32.733 27.926 35.508 1.00 0.00 H ATOM 1419 HH22 ARG A 183 35.819 29.083 36.857 1.00 0.00 H ATOM 1420 HH21 ARG A 183 36.119 30.248 35.515 1.00 0.00 H ATOM 1421 H ARG A 183 33.964 24.920 32.665 1.00 0.00 H ATOM 1422 N THR A 184 36.139 25.394 30.066 1.00 17.88 N ATOM 1423 CA THR A 184 37.276 25.257 29.168 1.00 17.01 C ATOM 1424 C THR A 184 36.918 24.288 28.058 1.00 20.16 C ATOM 1425 O THR A 184 36.044 23.444 28.199 1.00 22.73 O ATOM 1426 CB THR A 184 38.500 24.733 29.926 1.00 19.76 C ATOM 1427 OG1 THR A 184 38.191 23.467 30.513 1.00 23.72 O ATOM 1428 CG2 THR A 184 38.985 25.722 30.958 1.00 21.73 C ATOM 1429 HG1 THR A 184 37.433 23.572 31.141 1.00 0.00 H ATOM 1430 H THR A 184 35.684 24.537 30.440 1.00 0.00 H ATOM 1431 N GLU A 185 37.614 24.388 26.936 1.00 17.56 N ATOM 1432 CA GLU A 185 37.381 23.458 25.840 1.00 18.32 C ATOM 1433 C GLU A 185 38.092 22.136 26.096 1.00 20.22 C ATOM 1434 O GLU A 185 39.223 22.111 26.595 1.00 21.16 O ATOM 1435 CB GLU A 185 37.855 24.044 24.505 1.00 16.11 C ATOM 1436 CG GLU A 185 37.029 25.196 24.032 1.00 16.69 C ATOM 1437 CD GLU A 185 37.571 25.863 22.772 1.00 17.97 C ATOM 1438 OE1 GLU A 185 38.731 26.347 22.768 1.00 19.52 O ATOM 1439 OE2 GLU A 185 36.801 25.908 21.783 1.00 17.49 O ATOM 1440 H GLU A 185 38.331 25.135 26.837 1.00 0.00 H ATOM 1441 N LYS A 186 37.418 21.040 25.748 1.00 19.47 N ATOM 1442 CA LYS A 186 37.978 19.695 25.839 1.00 22.28 C ATOM 1443 C LYS A 186 38.621 19.408 24.488 1.00 21.33 C ATOM 1444 O LYS A 186 38.009 18.855 23.578 1.00 20.08 O ATOM 1445 CB LYS A 186 36.910 18.682 26.205 1.00 25.61 C ATOM 1446 CG LYS A 186 36.228 19.002 27.536 1.00 26.31 C ATOM 1447 CD LYS A 186 35.342 17.865 28.018 1.00 30.96 C ATOM 1448 CE LYS A 186 34.140 17.662 27.127 1.00 50.66 C ATOM 1449 NZ LYS A 186 33.211 16.632 27.686 1.00 63.38 N ATOM 1450 HZ1 LYS A 186 33.713 15.725 27.774 1.00 0.00 H ATOM 1451 HZ2 LYS A 186 32.879 16.938 28.623 1.00 0.00 H ATOM 1452 HZ3 LYS A 186 32.397 16.518 27.049 1.00 0.00 H ATOM 1453 H LYS A 186 36.446 21.148 25.394 1.00 0.00 H ATOM 1454 N MET A 187 39.868 19.832 24.346 1.00 19.86 N ATOM 1455 CA MET A 187 40.465 19.913 23.017 1.00 18.92 C ATOM 1456 C MET A 187 40.750 18.554 22.395 1.00 23.28 C ATOM 1457 O MET A 187 40.821 18.471 21.166 1.00 22.76 O ATOM 1458 CB MET A 187 41.693 20.820 23.037 1.00 23.16 C ATOM 1459 CG MET A 187 41.306 22.276 23.329 1.00 21.46 C ATOM 1460 SD MET A 187 42.581 23.451 22.886 1.00 21.02 S ATOM 1461 CE MET A 187 42.465 23.364 21.090 1.00 31.86 C ATOM 1462 H MET A 187 40.422 20.107 25.182 1.00 0.00 H ATOM 1463 N SER A 188 40.875 17.481 23.178 1.00 20.32 N ATOM 1464 CA SER A 188 41.011 16.171 22.564 1.00 22.53 C ATOM 1465 C SER A 188 39.690 15.635 22.036 1.00 25.66 C ATOM 1466 O SER A 188 39.674 14.577 21.395 1.00 27.61 O ATOM 1467 CB SER A 188 41.587 15.172 23.561 1.00 27.94 C ATOM 1468 OG SER A 188 42.917 15.502 23.891 1.00 26.12 O ATOM 1469 HG SER A 188 43.269 14.841 24.538 1.00 0.00 H ATOM 1470 H SER A 188 40.875 17.581 24.213 1.00 0.00 H ATOM 1471 N GLU A 189 38.594 16.348 22.281 1.00 21.38 N ATOM 1472 CA GLU A 189 37.273 15.969 21.801 1.00 20.84 C ATOM 1473 C GLU A 189 36.727 16.939 20.755 1.00 19.94 C ATOM 1474 O GLU A 189 35.565 16.810 20.354 1.00 23.64 O ATOM 1475 CB GLU A 189 36.300 15.841 22.974 1.00 24.60 C ATOM 1476 CG GLU A 189 36.755 14.847 24.013 1.00 27.35 C ATOM 1477 CD GLU A 189 35.819 14.787 25.205 1.00 37.01 C ATOM 1478 OE1 GLU A 189 34.593 14.951 25.015 1.00 38.65 O ATOM 1479 OE2 GLU A 189 36.329 14.600 26.325 1.00 37.22 O ATOM 1480 H GLU A 189 38.685 17.218 22.843 1.00 0.00 H ATOM 1481 N CYS A 190 37.553 17.846 20.241 1.00 19.80 N ATOM 1482 CA CYS A 190 37.116 18.648 19.106 1.00 19.28 C ATOM 1483 C CYS A 190 36.895 17.758 17.887 1.00 20.39 C ATOM 1484 O CYS A 190 37.500 16.687 17.750 1.00 22.32 O ATOM 1485 CB CYS A 190 38.127 19.744 18.770 1.00 19.59 C ATOM 1486 SG CYS A 190 38.598 20.847 20.128 1.00 20.20 S ATOM 1487 H CYS A 190 38.502 17.981 20.645 1.00 0.00 H ATOM 1488 N VAL A 191 35.986 18.188 17.017 1.00 20.86 N ATOM 1489 CA VAL A 191 35.613 17.436 15.817 1.00 22.45 C ATOM 1490 C VAL A 191 35.557 18.400 14.646 1.00 20.96 C ATOM 1491 O VAL A 191 34.967 19.481 14.747 1.00 19.67 O ATOM 1492 CB VAL A 191 34.229 16.767 15.976 1.00 25.21 C ATOM 1493 CG1 VAL A 191 33.885 15.900 14.770 1.00 30.02 C ATOM 1494 CG2 VAL A 191 34.171 15.927 17.252 1.00 35.95 C ATOM 1495 H VAL A 191 35.519 19.100 17.197 1.00 0.00 H ATOM 1496 N GLY A 192 36.184 18.023 13.530 1.00 20.25 N ATOM 1497 CA GLY A 192 36.004 18.768 12.311 1.00 20.47 C ATOM 1498 C GLY A 192 34.740 18.370 11.578 1.00 20.29 C ATOM 1499 O GLY A 192 34.343 17.209 11.548 1.00 23.02 O ATOM 1500 H GLY A 192 36.805 17.189 13.541 1.00 0.00 H ATOM 1501 N ASN A 193 34.135 19.368 10.938 1.00 19.69 N ATOM 1502 CA ASN A 193 32.942 19.138 10.134 1.00 20.89 C ATOM 1503 C ASN A 193 33.343 18.552 8.787 1.00 21.30 C ATOM 1504 O ASN A 193 34.086 19.201 8.040 1.00 22.27 O ATOM 1505 CB ASN A 193 32.205 20.468 9.956 1.00 21.32 C ATOM 1506 CG ASN A 193 31.004 20.367 9.051 1.00 19.45 C ATOM 1507 OD1 ASN A 193 30.542 19.276 8.720 1.00 21.27 O ATOM 1508 ND2 ASN A 193 30.478 21.516 8.654 1.00 22.04 N ATOM 1509 HD22 ASN A 193 30.902 22.415 8.959 1.00 0.00 H ATOM 1510 HD21 ASN A 193 29.641 21.519 8.037 1.00 0.00 H ATOM 1511 H ASN A 193 34.521 20.331 11.013 1.00 0.00 H ATOM 1512 N PRO A 194 32.900 17.341 8.442 1.00 22.02 N ATOM 1513 CA PRO A 194 33.279 16.771 7.136 1.00 24.52 C ATOM 1514 C PRO A 194 32.804 17.593 5.954 1.00 25.48 C ATOM 1515 O PRO A 194 33.337 17.440 4.843 1.00 28.49 O ATOM 1516 CB PRO A 194 32.646 15.372 7.158 1.00 27.81 C ATOM 1517 CG PRO A 194 31.580 15.440 8.143 1.00 29.66 C ATOM 1518 CD PRO A 194 32.017 16.435 9.191 1.00 25.85 C ATOM 1519 N HIS A 195 31.844 18.479 6.151 1.00 23.86 N ATOM 1520 CA HIS A 195 31.263 19.287 5.089 1.00 23.72 C ATOM 1521 C HIS A 195 31.897 20.666 4.948 1.00 21.34 C ATOM 1522 O HIS A 195 31.497 21.425 4.055 1.00 24.31 O ATOM 1523 CB HIS A 195 29.760 19.426 5.327 1.00 26.58 C ATOM 1524 CG HIS A 195 29.048 18.121 5.357 1.00 32.59 C ATOM 1525 ND1 HIS A 195 28.338 17.679 6.450 1.00 33.87 N ATOM 1526 CD2 HIS A 195 28.944 17.152 4.419 1.00 32.26 C ATOM 1527 CE1 HIS A 195 27.824 16.493 6.182 1.00 28.68 C ATOM 1528 NE2 HIS A 195 28.174 16.152 4.957 1.00 38.10 N ATOM 1529 H HIS A 195 31.484 18.606 7.118 1.00 0.00 H ATOM 1530 N TYR A 196 32.878 21.010 5.787 1.00 20.86 N ATOM 1531 CA TYR A 196 33.531 22.305 5.671 1.00 20.52 C ATOM 1532 C TYR A 196 34.233 22.414 4.325 1.00 19.18 C ATOM 1533 O TYR A 196 34.953 21.501 3.913 1.00 23.03 O ATOM 1534 CB TYR A 196 34.535 22.449 6.804 1.00 20.71 C ATOM 1535 CG TYR A 196 35.420 23.682 6.745 1.00 18.50 C ATOM 1536 CD1 TYR A 196 34.909 24.930 6.431 1.00 19.17 C ATOM 1537 CD2 TYR A 196 36.779 23.573 7.014 1.00 20.52 C ATOM 1538 CE1 TYR A 196 35.741 26.059 6.390 1.00 17.91 C ATOM 1539 CE2 TYR A 196 37.610 24.683 6.973 1.00 18.91 C ATOM 1540 CZ TYR A 196 37.085 25.914 6.662 1.00 18.54 C ATOM 1541 OH TYR A 196 37.938 27.025 6.656 1.00 17.70 O ATOM 1542 HH TYR A 196 37.422 27.835 6.416 1.00 0.00 H ATOM 1543 H TYR A 196 33.178 20.346 6.530 1.00 0.00 H ATOM 1544 N GLU A 197 34.013 23.535 3.647 1.00 20.88 N ATOM 1545 CA GLU A 197 34.615 23.807 2.344 1.00 20.67 C ATOM 1546 C GLU A 197 35.397 25.106 2.423 1.00 23.33 C ATOM 1547 O GLU A 197 34.816 26.203 2.304 1.00 22.51 O ATOM 1548 CB GLU A 197 33.541 23.877 1.265 1.00 24.77 C ATOM 1549 CG GLU A 197 32.944 22.509 1.005 1.00 29.79 C ATOM 1550 CD GLU A 197 31.983 22.467 -0.158 1.00 55.67 C ATOM 1551 OE1 GLU A 197 31.816 23.498 -0.840 1.00 62.92 O ATOM 1552 OE2 GLU A 197 31.393 21.391 -0.384 1.00 74.46 O ATOM 1553 H GLU A 197 33.384 24.251 4.063 1.00 0.00 H ATOM 1554 N PRO A 198 36.715 25.028 2.620 1.00 23.38 N ATOM 1555 CA PRO A 198 37.538 26.235 2.647 1.00 22.07 C ATOM 1556 C PRO A 198 37.322 27.041 1.377 1.00 22.47 C ATOM 1557 O PRO A 198 37.196 26.484 0.281 1.00 27.92 O ATOM 1558 CB PRO A 198 38.968 25.679 2.692 1.00 27.49 C ATOM 1559 CG PRO A 198 38.862 24.373 3.308 1.00 27.61 C ATOM 1560 CD PRO A 198 37.486 23.831 2.988 1.00 24.65 C ATOM 1561 N TRP A 199 37.339 28.361 1.529 1.00 23.84 N ATOM 1562 CA TRP A 199 37.076 29.273 0.426 1.00 24.80 C ATOM 1563 C TRP A 199 38.061 30.431 0.352 1.00 20.98 C ATOM 1564 O TRP A 199 37.922 31.271 -0.536 1.00 25.22 O ATOM 1565 CB TRP A 199 35.629 29.820 0.485 1.00 23.62 C ATOM 1566 CG TRP A 199 35.260 30.412 1.832 1.00 20.26 C ATOM 1567 CD1 TRP A 199 34.918 29.718 2.967 1.00 23.46 C ATOM 1568 CD2 TRP A 199 35.222 31.798 2.188 1.00 19.48 C ATOM 1569 NE1 TRP A 199 34.685 30.588 4.000 1.00 20.09 N ATOM 1570 CE2 TRP A 199 34.832 31.870 3.546 1.00 19.31 C ATOM 1571 CE3 TRP A 199 35.443 32.986 1.492 1.00 23.10 C ATOM 1572 CZ2 TRP A 199 34.753 33.071 4.234 1.00 20.00 C ATOM 1573 CZ3 TRP A 199 35.332 34.188 2.178 1.00 22.12 C ATOM 1574 CH2 TRP A 199 34.963 34.217 3.532 1.00 21.34 C ATOM 1575 HE1 TRP A 199 34.436 30.317 4.973 1.00 0.00 H ATOM 1576 H TRP A 199 37.547 28.756 2.468 1.00 0.00 H ATOM 1577 N HIS A 200 39.030 30.508 1.246 1.00 24.38 N ATOM 1578 CA HIS A 200 40.091 31.496 1.143 1.00 23.32 C ATOM 1579 C HIS A 200 41.293 31.016 1.937 1.00 25.56 C ATOM 1580 O HIS A 200 41.225 30.000 2.646 1.00 34.88 O ATOM 1581 CB HIS A 200 39.636 32.857 1.691 1.00 22.50 C ATOM 1582 CG HIS A 200 39.298 32.815 3.144 1.00 18.06 C ATOM 1583 ND1 HIS A 200 40.204 33.132 4.137 1.00 23.21 N ATOM 1584 CD2 HIS A 200 38.173 32.404 3.777 1.00 20.04 C ATOM 1585 CE1 HIS A 200 39.629 32.963 5.315 1.00 30.56 C ATOM 1586 NE2 HIS A 200 38.405 32.513 5.117 1.00 21.19 N ATOM 1587 OXT HIS A 200 42.316 31.689 1.936 1.00 31.40 O ATOM 1588 H HIS A 200 39.034 29.843 2.046 1.00 0.00 H TER 1589 HIS A 200 HETATM 1590 O HOH 1 13.621 40.877 20.507 1.00 56.00 O HETATM 1591 O HOH 2 22.583 25.501 27.650 1.00 56.24 O HETATM 1592 O HOH 3 40.807 23.103 28.045 1.00 31.95 O HETATM 1593 O HOH 4 8.865 40.063 11.371 1.00 54.14 O HETATM 1594 O HOH 5 28.643 44.695 27.093 1.00 42.61 O HETATM 1595 O HOH 6 34.345 47.842 14.965 1.00 47.98 O HETATM 1596 O HOH 7 34.828 14.307 28.313 1.00 44.89 O HETATM 1597 O HOH 8 36.483 42.219 2.331 1.00 55.50 O HETATM 1598 O HOH 9 43.056 37.032 5.056 1.00 47.05 O HETATM 1599 O HOH 10 33.339 13.955 23.017 1.00 44.75 O HETATM 1600 O HOH 11 40.815 26.087 24.250 1.00 21.45 O HETATM 1601 O HOH 12 24.880 21.962 27.280 1.00 50.34 O HETATM 1602 O HOH 13 32.111 20.080 33.787 1.00 76.74 O HETATM 1603 O HOH 14 41.870 27.471 2.615 1.00 54.81 O HETATM 1604 O HOH 15 49.549 40.805 2.674 1.00 48.96 O HETATM 1605 O HOH 16 39.124 36.247 23.984 1.00 39.63 O HETATM 1606 O HOH 17 34.556 40.066 24.271 1.00 40.84 O HETATM 1607 O HOH 18 39.496 21.460 29.415 1.00 38.59 O HETATM 1608 O HOH 19 20.131 22.087 23.547 1.00 52.01 O HETATM 1609 O HOH 20 23.615 18.621 22.697 1.00 62.89 O HETATM 1610 O HOH 21 20.555 26.454 20.451 1.00 34.33 O HETATM 1611 O HOH 22 15.593 49.180 18.130 1.00 33.04 O HETATM 1612 O HOH 23 11.838 45.369 9.391 1.00 35.84 O HETATM 1613 O HOH 24 26.210 42.224 -9.404 1.00 35.34 O HETATM 1614 O HOH 25 39.868 32.753 8.512 1.00 23.77 O HETATM 1615 O HOH 26 32.411 27.178 0.573 1.00 41.21 O HETATM 1616 O HOH 27 15.880 19.846 13.089 1.00 40.89 O HETATM 1617 O HOH 28 23.431 51.249 11.145 1.00 43.07 O HETATM 1618 O HOH 29 48.944 39.598 8.542 1.00 48.74 O HETATM 1619 O HOH 30 6.437 32.289 11.728 1.00 51.65 O HETATM 1620 O HOH 31 37.979 27.101 -2.198 1.00 31.65 O HETATM 1621 O HOH 32 34.134 19.304 2.624 1.00 37.10 O HETATM 1622 O HOH 33 33.713 45.120 14.957 1.00 30.59 O HETATM 1623 O HOH 34 17.881 32.142 15.253 1.00 24.06 O HETATM 1624 O HOH 35 23.447 48.459 4.590 1.00 45.48 O HETATM 1625 O HOH 36 15.140 28.248 8.906 1.00 42.11 O HETATM 1626 O HOH 37 38.919 15.065 26.887 1.00 42.24 O HETATM 1627 O HOH 38 38.657 29.085 3.943 1.00 25.41 O HETATM 1628 O HOH 39 29.777 51.625 11.755 1.00 44.33 O HETATM 1629 O HOH 40 36.911 20.852 9.270 1.00 33.42 O HETATM 1630 O HOH 41 17.632 17.892 9.866 1.00 59.60 O HETATM 1631 O HOH 42 22.592 21.292 5.178 1.00 59.74 O HETATM 1632 O HOH 43 21.209 26.451 16.752 1.00 23.83 O HETATM 1633 O HOH 44 16.424 50.289 15.116 1.00 45.60 O HETATM 1634 O HOH 45 25.795 14.636 11.103 1.00 41.39 O HETATM 1635 O HOH 46 11.068 45.802 19.140 1.00 28.23 O HETATM 1636 O HOH 47 37.809 14.070 18.400 1.00 37.81 O HETATM 1637 O HOH 48 19.828 23.106 6.420 1.00 39.50 O HETATM 1638 O HOH 49 19.280 27.714 18.557 1.00 44.40 O HETATM 1639 O HOH 50 33.642 14.895 20.636 1.00 35.85 O HETATM 1640 O HOH 51 30.777 18.842 27.623 1.00 45.24 O HETATM 1641 O HOH 52 33.228 38.720 5.046 1.00 27.75 O HETATM 1642 O HOH 53 36.537 37.354 26.420 1.00 55.59 O HETATM 1643 O HOH 54 20.476 24.420 12.683 1.00 26.61 O HETATM 1644 O HOH 55 21.677 48.197 25.890 1.00 35.47 O HETATM 1645 O HOH 56 35.335 42.856 10.856 1.00 25.31 O HETATM 1646 O HOH 57 39.254 34.280 15.202 1.00 20.59 O HETATM 1647 O HOH 58 23.946 34.768 6.369 1.00 23.67 O HETATM 1648 O HOH 59 21.201 33.007 17.317 1.00 23.78 O HETATM 1649 O HOH 60 27.215 35.713 3.535 1.00 25.49 O HETATM 1650 O HOH 61 19.848 30.682 16.464 1.00 24.82 O HETATM 1651 O HOH 62 32.796 31.552 21.831 1.00 15.16 O HETATM 1652 O HOH 63 36.153 24.231 -0.931 1.00 31.05 O HETATM 1653 O HOH 64 30.122 43.546 16.698 1.00 20.26 O HETATM 1654 O HOH 65 29.895 20.702 1.922 1.00 35.76 O HETATM 1655 O HOH 66 35.588 26.665 37.812 1.00 51.89 O HETATM 1656 O HOH 67 27.754 40.245 3.480 1.00 51.38 O HETATM 1657 O HOH 68 20.431 24.946 4.272 1.00 49.59 O HETATM 1658 O HOH 69 38.762 30.444 9.466 1.00 18.73 O HETATM 1659 O HOH 70 44.320 13.146 23.482 1.00 48.98 O HETATM 1660 O HOH 71 35.307 33.666 8.270 1.00 20.86 O HETATM 1661 O HOH 72 28.002 42.806 20.139 1.00 23.11 O HETATM 1662 O HOH 73 34.440 44.225 8.725 1.00 28.48 O HETATM 1663 O HOH 74 20.856 28.555 14.902 1.00 23.77 O HETATM 1664 O HOH 75 28.464 37.430 1.704 1.00 28.88 O HETATM 1665 O HOH 76 36.353 38.170 10.853 1.00 18.19 O HETATM 1666 O HOH 77 30.602 46.921 5.227 1.00 38.04 O HETATM 1667 O HOH 78 9.902 37.242 17.242 1.00 42.30 O HETATM 1668 O HOH 79 42.445 34.772 3.794 1.00 37.83 O HETATM 1669 O HOH 80 34.724 35.136 28.087 1.00 32.27 O HETATM 1670 O HOH 81 58.045 38.512 16.746 1.00 27.39 O HETATM 1671 O HOH 82 24.852 20.865 25.126 1.00 38.31 O HETATM 1672 O HOH 83 38.118 37.680 15.815 1.00 25.35 O HETATM 1673 O HOH 84 39.740 28.630 25.370 1.00 22.29 O HETATM 1674 O HOH 85 17.837 36.879 20.781 1.00 67.43 O HETATM 1675 O HOH 86 32.546 46.131 8.569 1.00 47.92 O HETATM 1676 O HOH 87 12.404 45.883 12.059 1.00 40.59 O HETATM 1677 O HOH 88 25.474 37.312 5.905 1.00 25.39 O HETATM 1678 O HOH 89 25.423 17.300 23.935 1.00 45.61 O HETATM 1679 O HOH 90 19.175 38.352 23.109 1.00 65.45 O HETATM 1680 O HOH 91 40.043 25.858 27.026 1.00 19.52 O HETATM 1681 O HOH 92 10.919 44.277 13.436 1.00 46.89 O HETATM 1682 O HOH 93 38.895 35.715 19.311 1.00 19.63 O HETATM 1683 O HOH 94 30.070 32.261 22.411 1.00 19.71 O HETATM 1684 O HOH 95 27.611 36.231 -4.282 1.00 49.55 O HETATM 1685 O HOH 96 39.711 27.999 8.672 1.00 17.70 O HETATM 1686 O HOH 97 37.781 29.297 32.201 1.00 33.73 O HETATM 1687 O HOH 98 16.391 33.781 16.892 1.00 30.12 O HETATM 1688 O HOH 99 30.754 19.341 31.175 1.00 35.94 O HETATM 1689 O HOH 100 19.360 52.868 9.393 1.00 50.64 O HETATM 1690 O HOH 101 34.091 14.356 11.801 1.00 48.47 O HETATM 1691 O HOH 102 29.241 15.302 21.138 1.00 46.23 O HETATM 1692 O HOH 103 10.136 43.213 9.660 1.00 41.23 O HETATM 1693 O HOH 104 23.572 23.874 5.640 1.00 28.74 O HETATM 1694 O HOH 105 25.645 41.739 21.096 1.00 25.07 O HETATM 1695 O HOH 106 13.418 30.428 9.836 1.00 46.52 O HETATM 1696 O HOH 107 25.683 51.357 21.070 1.00 40.65 O HETATM 1697 O HOH 108 30.598 27.709 29.509 1.00 47.69 O HETATM 1698 O HOH 109 32.699 33.426 32.678 1.00 38.45 O HETATM 1699 O HOH 110 37.366 36.994 13.128 1.00 21.51 O HETATM 1700 O HOH 111 17.311 39.127 0.887 1.00 45.29 O HETATM 1701 O HOH 112 10.666 42.273 12.519 1.00 40.55 O HETATM 1702 O HOH 113 36.148 31.359 33.001 1.00 42.03 O HETATM 1703 O HOH 114 40.124 39.070 7.793 1.00 26.33 O HETATM 1704 O HOH 115 33.278 46.317 19.049 1.00 28.31 O HETATM 1705 O HOH 116 26.800 23.873 2.813 1.00 27.09 O HETATM 1706 O HOH 117 29.348 22.994 28.814 1.00 32.54 O HETATM 1707 O HOH 118 29.373 18.934 25.499 1.00 32.90 O HETATM 1708 O HOH 119 21.968 45.637 23.994 1.00 37.33 O HETATM 1709 O HOH 120 22.932 46.813 3.344 1.00 56.70 O HETATM 1710 O HOH 121 29.090 53.533 19.310 1.00 54.11 O HETATM 1711 O HOH 122 21.617 33.206 -0.250 1.00 46.75 O HETATM 1712 O HOH 123 21.161 36.083 20.593 1.00 53.27 O HETATM 1713 O HOH 124 13.048 47.966 -1.969 1.00 46.29 O HETATM 1714 O HOH 125 51.357 38.985 9.800 1.00 35.31 O HETATM 1715 O HOH 126 20.379 46.383 22.110 1.00 42.10 O HETATM 1716 O HOH 127 39.827 32.999 -2.135 1.00 38.38 O HETATM 1717 O HOH 128 40.483 17.230 26.171 1.00 31.36 O HETATM 1718 O HOH 129 16.244 30.798 23.419 1.00 60.13 O HETATM 1719 O HOH 130 22.621 27.318 23.255 1.00 42.41 O HETATM 1720 O HOH 131 24.945 50.879 6.549 1.00 52.39 O HETATM 1721 O HOH 132 28.192 47.690 5.061 1.00 36.93 O HETATM 1722 O HOH 133 33.244 45.866 23.104 1.00 50.03 O HETATM 1723 O HOH 134 40.639 42.453 3.471 1.00 50.01 O HETATM 1724 O HOH 135 41.999 20.803 26.633 1.00 44.83 O HETATM 1725 O HOH 136 37.235 19.774 5.100 1.00 46.58 O HETATM 1726 O HOH 137 31.222 50.817 16.738 1.00 53.09 O HETATM 1727 O HOH 138 19.703 39.408 25.891 1.00 53.59 O HETATM 1728 O HOH 139 29.052 48.411 27.082 1.00 52.01 O HETATM 1729 O HOH 140 16.431 26.913 14.504 1.00 51.57 O HETATM 1730 O HOH 141 19.393 36.292 22.920 1.00 68.46 O HETATM 1731 O HOH 142 39.214 42.410 4.923 1.00 51.47 O HETATM 1732 O HOH 143 38.792 36.812 26.604 1.00 43.55 O HETATM 1733 O HOH 144 20.064 38.588 -0.871 1.00 54.72 O HETATM 1734 O HOH 145 29.366 26.745 32.477 1.00145.29 O HETATM 1735 O HOH 146 32.515 39.108 27.095 1.00 50.63 O HETATM 1736 O HOH 147 39.590 36.717 21.667 1.00 34.26 O HETATM 1737 O HOH 148 29.212 25.589 29.769 1.00 40.71 O HETATM 1738 O HOH 149 36.764 15.852 9.600 1.00 55.01 O HETATM 1739 O HOH 150 31.893 29.792 -0.829 1.00 56.30 O HETATM 1740 O HOH 151 36.802 17.209 4.723 1.00 56.00 O HETATM 1741 O HOH 152 30.344 16.433 24.458 1.00 47.30 O HETATM 1742 O HOH 153 23.721 52.385 23.167 1.00 53.97 O HETATM 1743 O HOH 154 24.962 54.321 17.352 1.00 53.92 O HETATM 1744 O HOH 155 25.278 53.447 15.314 1.00 54.83 O HETATM 1745 O HOH 156 41.979 34.454 8.465 1.00 37.36 O HETATM 1746 O HOH 157 42.781 12.419 21.107 1.00 62.95 O HETATM 1747 O HOH 158 24.856 52.520 8.415 1.00 51.32 O HETATM 1748 O HOH 159 32.921 44.116 17.383 1.00 24.89 O HETATM 1749 O HOH 160 37.480 40.224 23.155 1.00 48.43 O HETATM 1750 O HOH 161 27.131 53.616 14.644 1.00 56.08 O HETATM 1751 O HOH 162 37.787 40.130 19.255 1.00 51.50 O HETATM 1752 O HOH 163 19.824 35.203 25.658 1.00 61.14 O HETATM 1753 O HOH 164 37.461 17.292 7.809 1.00 73.58 O HETATM 1754 O HOH 165 35.686 42.768 24.232 1.00 52.73 O HETATM 1755 O HOH 166 19.335 35.905 -0.654 1.00 62.46 O HETATM 1756 O HOH 167 26.584 18.780 25.828 1.00 39.50 O HETATM 1757 O HOH 168 26.910 21.752 29.316 1.00 55.84 O HETATM 1758 O HOH 169 40.084 18.862 28.824 1.00 56.48 O HETATM 1759 O HOH 170 21.663 53.407 12.414 1.00 61.54 O HETATM 1760 O HOH 171 32.976 48.462 17.257 1.00 46.51 O HETATM 1761 O HOH 172 37.602 39.774 21.196 1.00 46.91 O HETATM 1762 O HOH 173 17.163 27.088 16.690 1.00 56.06 O HETATM 1763 O HOH 174 42.095 36.928 7.338 1.00 55.44 O HETATM 1764 O HOH 175 32.547 20.748 41.926 1.00 44.01 O HETATM 1765 O HOH 176 32.708 48.542 7.705 1.00 49.09 O HETATM 1766 O HOH 177 27.242 21.198 2.224 1.00 67.75 O HETATM 1767 O HOH 178 36.911 44.540 12.164 1.00 55.00 O HETATM 1768 O HOH 179 39.609 43.080 12.197 1.00 66.95 O HETATM 1769 O HOH 180 30.972 15.410 19.048 1.00 51.72 O HETATM 1770 O HOH 181 15.408 25.800 15.718 1.00 58.42 O HETATM 1771 O HOH 182 30.718 14.178 16.926 1.00 46.90 O HETATM 1772 O HOH 183 40.951 43.938 10.337 1.00 71.73 O HETATM 1773 O HOH 184 38.540 42.568 23.281 1.00 55.18 O HETATM 1774 O HOH 185 32.107 12.688 15.750 1.00 55.36 O HETATM 1775 N12 UNN A 186 21.879 32.516 22.218 1.00 -0.21 N HETATM 1776 C13 UNN A 186 22.324 31.260 22.251 1.00 0.08 C HETATM 1777 C14 UNN A 186 23.594 30.957 21.882 1.00 -0.01 C HETATM 1778 C09 UNN A 186 24.526 32.017 21.541 1.00 0.00 C HETATM 1779 C08 UNN A 186 24.040 33.355 21.553 1.00 0.04 C HETATM 1780 C05 UNN A 186 24.975 34.402 21.216 1.00 -0.01 C HETATM 1781 C04 UNN A 186 24.597 35.759 21.194 1.00 -0.06 C HETATM 1782 C03 UNN A 186 25.519 36.746 20.872 1.00 -0.03 C HETATM 1783 C02 UNN A 186 26.817 36.386 20.526 1.00 0.13 C HETATM 1784 C01 UNN A 186 27.211 35.055 20.519 1.00 -0.02 C HETATM 1785 C06 UNN A 186 26.291 34.062 20.857 1.00 0.03 C HETATM 1786 C07 UNN A 186 26.703 32.664 20.888 1.00 0.13 C HETATM 1787 N10 UNN A 186 25.802 31.713 21.198 1.00 -0.35 N HETATM 1788 O19 UNN A 186 27.880 32.336 20.584 1.00 -0.42 O HETATM 1789 H6 UNN A 186 28.227 34.789 20.253 1.00 0.06 H HETATM 1790 F20 UNN A 186 27.706 37.329 20.211 1.00 -0.19 F HETATM 1791 H7 UNN A 186 25.229 37.790 20.890 1.00 0.06 H HETATM 1792 H8 UNN A 186 23.576 36.035 21.431 1.00 0.06 H HETATM 1793 C11 UNN A 186 22.702 33.549 21.924 1.00 0.10 C HETATM 1794 H9 UNN A 186 22.312 34.565 21.977 1.00 0.14 H HETATM 1795 H10 UNN A 186 23.915 29.917 21.841 1.00 0.05 H HETATM 1796 H1 UNN A 186 21.657 30.464 22.579 1.00 0.13 H HETATM 1797 C15 UNN A 186 20.472 32.826 22.628 1.00 0.07 C HETATM 1798 C16 UNN A 186 19.426 31.757 22.343 1.00 -0.01 C HETATM 1799 C17 UNN A 186 18.816 31.856 20.959 1.00 0.00 C HETATM 1800 C18 UNN A 186 19.656 31.123 19.933 1.00 0.03 C HETATM 1801 O21 UNN A 186 19.086 30.376 19.095 1.00 -0.57 O HETATM 1802 O22 UNN A 186 20.892 31.265 19.936 1.00 -0.57 O HETATM 1803 H4 UNN A 186 18.746 32.916 20.673 1.00 0.04 H HETATM 1804 H5 UNN A 186 17.809 31.414 20.979 1.00 0.04 H HETATM 1805 H11 UNN A 186 18.620 31.853 23.085 1.00 0.03 H HETATM 1806 H12 UNN A 186 19.901 30.770 22.443 1.00 0.03 H HETATM 1807 H2 UNN A 186 20.165 33.742 22.101 1.00 0.07 H HETATM 1808 H3 UNN A 186 20.474 33.010 23.712 1.00 0.07 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 52 51 342 CONECT 342 52 341 CONECT 1344 1343 1486 CONECT 1486 1344 1485 CONECT 1775 1776 1793 1797 CONECT 1776 1775 1777 1796 CONECT 1777 1776 1778 1795 CONECT 1778 1777 1779 1787 CONECT 1779 1778 1780 1793 CONECT 1780 1779 1781 1785 CONECT 1781 1780 1782 1792 CONECT 1782 1781 1783 1791 CONECT 1783 1782 1784 1790 CONECT 1784 1783 1785 1789 CONECT 1785 1780 1784 1786 CONECT 1786 1785 1787 1788 CONECT 1787 1778 1786 CONECT 1788 1786 CONECT 1789 1784 CONECT 1790 1783 CONECT 1791 1782 CONECT 1792 1781 CONECT 1793 1775 1779 1794 CONECT 1794 1793 CONECT 1795 1777 CONECT 1796 1776 CONECT 1797 1775 1798 1807 1808 CONECT 1798 1797 1799 1805 1806 CONECT 1799 1798 1800 1803 1804 CONECT 1800 1799 1801 1802 CONECT 1801 1800 CONECT 1802 1800 CONECT 1803 1799 CONECT 1804 1799 CONECT 1805 1798 CONECT 1806 1798 CONECT 1807 1797 CONECT 1808 1797 MASTER 0 0 0 0 0 0 0 0 1807 1 42 13 END
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Structure:
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Related entries of code: 5ewy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ewk
RCSB PDB
PDBbind
200aa, >5EWK_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ewy
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Scabin toxin from Streptomyces Scabies
Ligand Name
5TQ
EC.Number
E.C.2.4.2.31
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=50uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 11198-11215
Ligand Properties
Formula
C
1
6
H
1
3
FN
2
O
3
Molecular Weight
300.284
Exact Mass
300.091
No. of atoms
35
No. of bonds
37
Polar Surface Area
72.19
LOGP Value
2.91 (
Computed with XLOGP3
)
2.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
OC(=O)CCCn1ccc2c(c1)c1ccc(cc1c(=O)n2)F
InChI String
InChI=1S/C16H13FN2O3/c17-10-3-4-11-12(8-10)16(22)18-14-5-7-19(9-13(11)14)6-1-2-15(20)21/h3-5,7-9H,1-2,6H2,(H,20,21)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C9Z6T8
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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