Browse entries in the PDBbind-CN Database
HEADER 1CKB_COMPLEX COMPND 1CKB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 ALA GLU TYR VAL ARG ALA LEU PHE ASP PHE ASN GLY ASN SEQRES 2 A 57 ASP GLU GLU ASP LEU PRO PHE LYS LYS GLY ASP ILE LEU SEQRES 3 A 57 ARG ILE ARG ASP LYS PRO GLU GLU GLN TRP TRP ASN ALA SEQRES 4 A 57 GLU ASP SER GLU GLY LYS ARG GLY MET ILE PRO VAL PRO SEQRES 5 A 57 TYR VAL GLU LYS TYR HET PRO A 126 124 ATOM 1 N ALA A 134 95.934 127.424 21.911 1.00 19.24 N ATOM 2 CA ALA A 134 96.764 127.821 20.744 1.00 19.78 C ATOM 3 C ALA A 134 98.231 127.722 21.157 1.00 19.38 C ATOM 4 O ALA A 134 98.534 127.662 22.357 1.00 21.22 O ATOM 5 CB ALA A 134 96.432 129.238 20.343 1.00 18.62 C ATOM 6 HA ALA A 134 96.568 127.168 19.894 1.00 0.00 H ATOM 7 HB1 ALA A 134 95.377 129.301 20.075 1.00 0.00 H ATOM 8 HB2 ALA A 134 96.637 129.908 21.178 1.00 0.00 H ATOM 9 HB3 ALA A 134 97.043 129.525 19.487 1.00 0.00 H ATOM 10 HN3 ALA A 134 96.129 128.064 22.707 1.00 0.00 H ATOM 11 HN2 ALA A 134 96.167 126.448 22.184 1.00 0.00 H ATOM 12 HN1 ALA A 134 94.928 127.483 21.655 1.00 0.00 H ATOM 13 N GLU A 135 99.129 127.660 20.182 1.00 15.51 N ATOM 14 CA GLU A 135 100.547 127.592 20.480 1.00 11.18 C ATOM 15 C GLU A 135 101.093 128.983 20.227 1.00 10.59 C ATOM 16 O GLU A 135 101.007 129.474 19.111 1.00 9.22 O ATOM 17 CB GLU A 135 101.250 126.590 19.561 1.00 10.30 C ATOM 18 CG GLU A 135 102.749 126.462 19.849 1.00 10.72 C ATOM 19 CD GLU A 135 103.445 125.432 18.976 1.00 11.67 C ATOM 20 OE1 GLU A 135 102.775 124.703 18.229 1.00 9.42 O ATOM 21 OE2 GLU A 135 104.676 125.352 19.046 1.00 12.46 O ATOM 22 HA GLU A 135 100.714 127.265 21.506 1.00 0.00 H ATOM 23 HB2 GLU A 135 100.786 125.613 19.693 1.00 0.00 H ATOM 24 HB3 GLU A 135 101.121 126.915 18.529 1.00 0.00 H ATOM 25 HG2 GLU A 135 103.218 127.432 19.680 1.00 0.00 H ATOM 26 HG3 GLU A 135 102.877 126.174 20.892 1.00 0.00 H ATOM 27 H GLU A 135 98.812 127.660 19.191 1.00 0.00 H ATOM 28 N TYR A 136 101.644 129.614 21.257 1.00 10.70 N ATOM 29 CA TYR A 136 102.209 130.963 21.129 1.00 9.55 C ATOM 30 C TYR A 136 103.664 130.984 21.535 1.00 8.20 C ATOM 31 O TYR A 136 104.076 130.271 22.462 1.00 7.47 O ATOM 32 CB TYR A 136 101.488 131.970 22.036 1.00 12.38 C ATOM 33 CG TYR A 136 100.059 132.238 21.661 1.00 14.86 C ATOM 34 CD1 TYR A 136 99.756 133.044 20.569 1.00 11.24 C ATOM 35 CD2 TYR A 136 99.006 131.672 22.382 1.00 15.59 C ATOM 36 CE1 TYR A 136 98.453 133.269 20.182 1.00 14.79 C ATOM 37 CE2 TYR A 136 97.683 131.898 21.998 1.00 19.31 C ATOM 38 CZ TYR A 136 97.426 132.705 20.887 1.00 15.82 C ATOM 39 OH TYR A 136 96.148 132.905 20.433 1.00 21.77 O ATOM 40 HA TYR A 136 102.089 131.239 20.081 1.00 0.00 H ATOM 41 HB3 TYR A 136 102.033 132.913 21.997 1.00 0.00 H ATOM 42 HB2 TYR A 136 101.506 131.583 23.055 1.00 0.00 H ATOM 43 HD2 TYR A 136 99.218 131.049 23.251 1.00 0.00 H ATOM 44 HE2 TYR A 136 96.861 131.451 22.558 1.00 0.00 H ATOM 45 HE1 TYR A 136 98.241 133.895 19.315 1.00 0.00 H ATOM 46 HD1 TYR A 136 100.567 133.508 20.007 1.00 0.00 H ATOM 47 HH TYR A 136 96.169 133.501 19.643 1.00 0.00 H ATOM 48 H TYR A 136 101.676 129.139 22.182 1.00 0.00 H ATOM 49 N VAL A 137 104.414 131.873 20.890 1.00 11.25 N ATOM 50 CA VAL A 137 105.825 132.078 21.176 1.00 6.44 C ATOM 51 C VAL A 137 106.066 133.584 21.361 1.00 7.89 C ATOM 52 O VAL A 137 105.246 134.400 20.936 1.00 5.67 O ATOM 53 CB VAL A 137 106.747 131.487 20.063 1.00 6.64 C ATOM 54 CG1 VAL A 137 106.424 130.011 19.843 1.00 7.10 C ATOM 55 CG2 VAL A 137 106.628 132.268 18.764 1.00 4.43 C ATOM 56 HA VAL A 137 106.083 131.544 22.090 1.00 0.00 H ATOM 57 HB VAL A 137 107.780 131.574 20.398 1.00 0.00 H ATOM 58 HG11 VAL A 137 106.586 129.463 20.771 1.00 0.00 H ATOM 59 HG12 VAL A 137 105.383 129.910 19.537 1.00 0.00 H ATOM 60 HG13 VAL A 137 107.073 129.610 19.065 1.00 0.00 H ATOM 61 HG21 VAL A 137 105.597 132.231 18.413 1.00 0.00 H ATOM 62 HG22 VAL A 137 106.918 133.305 18.937 1.00 0.00 H ATOM 63 HG23 VAL A 137 107.285 131.826 18.014 1.00 0.00 H ATOM 64 H VAL A 137 103.970 132.449 20.146 1.00 0.00 H ATOM 65 N ARG A 138 107.127 133.933 22.086 1.00 6.89 N ATOM 66 CA ARG A 138 107.486 135.326 22.302 1.00 8.59 C ATOM 67 C ARG A 138 108.818 135.601 21.601 1.00 8.33 C ATOM 68 O ARG A 138 109.758 134.816 21.708 1.00 9.59 O ATOM 69 CB ARG A 138 107.597 135.636 23.801 1.00 5.17 C ATOM 70 CG ARG A 138 108.043 137.049 24.092 1.00 15.13 C ATOM 71 CD ARG A 138 108.308 137.266 25.567 1.00 16.99 C ATOM 72 NE ARG A 138 107.086 137.325 26.380 1.00 19.80 N ATOM 73 CZ ARG A 138 106.707 136.383 27.240 1.00 15.69 C ATOM 74 NH1 ARG A 138 107.434 135.282 27.398 1.00 12.82 N ATOM 75 NH2 ARG A 138 105.653 136.588 28.013 1.00 17.92 N ATOM 76 HA ARG A 138 106.709 135.969 21.889 1.00 0.00 H ATOM 77 HB2 ARG A 138 106.620 135.481 24.259 1.00 0.00 H ATOM 78 HB3 ARG A 138 108.318 134.948 24.243 1.00 0.00 H ATOM 79 HG2 ARG A 138 108.958 137.251 23.536 1.00 0.00 H ATOM 80 HG3 ARG A 138 107.263 137.738 23.769 1.00 0.00 H ATOM 81 HD2 ARG A 138 108.848 138.206 25.686 1.00 0.00 H ATOM 82 HD3 ARG A 138 108.926 136.445 25.931 1.00 0.00 H ATOM 83 HE ARG A 138 106.475 138.160 26.276 1.00 0.00 H ATOM 84 HH12 ARG A 138 107.130 134.551 28.072 1.00 0.00 H ATOM 85 HH11 ARG A 138 108.307 135.152 26.847 1.00 0.00 H ATOM 86 HH22 ARG A 138 105.352 135.855 28.687 1.00 0.00 H ATOM 87 HH21 ARG A 138 105.125 137.482 27.947 1.00 0.00 H ATOM 88 H ARG A 138 107.716 133.188 22.510 1.00 0.00 H ATOM 89 N ALA A 139 108.874 136.685 20.833 1.00 6.46 N ATOM 90 CA ALA A 139 110.084 137.062 20.120 1.00 7.27 C ATOM 91 C ALA A 139 111.178 137.505 21.105 1.00 5.34 C ATOM 92 O ALA A 139 110.975 138.400 21.929 1.00 7.46 O ATOM 93 CB ALA A 139 109.773 138.169 19.123 1.00 4.57 C ATOM 94 HA ALA A 139 110.456 136.195 19.574 1.00 0.00 H ATOM 95 HB1 ALA A 139 109.029 137.815 18.409 1.00 0.00 H ATOM 96 HB2 ALA A 139 109.383 139.037 19.655 1.00 0.00 H ATOM 97 HB3 ALA A 139 110.685 138.446 18.593 1.00 0.00 H ATOM 98 H ALA A 139 108.027 137.281 20.739 1.00 0.00 H ATOM 99 N LEU A 140 112.326 136.840 21.043 1.00 9.08 N ATOM 100 CA LEU A 140 113.474 137.134 21.914 1.00 8.58 C ATOM 101 C LEU A 140 114.353 138.231 21.349 1.00 6.09 C ATOM 102 O LEU A 140 115.093 138.894 22.098 1.00 6.64 O ATOM 103 CB LEU A 140 114.330 135.874 22.108 1.00 5.99 C ATOM 104 CG LEU A 140 113.621 134.737 22.833 1.00 12.07 C ATOM 105 CD1 LEU A 140 114.481 133.488 22.811 1.00 9.75 C ATOM 106 CD2 LEU A 140 113.300 135.189 24.245 1.00 11.39 C ATOM 107 HA LEU A 140 113.068 137.471 22.868 1.00 0.00 H ATOM 108 HB2 LEU A 140 114.635 135.514 21.125 1.00 0.00 H ATOM 109 HB3 LEU A 140 115.214 136.147 22.684 1.00 0.00 H ATOM 110 HG LEU A 140 112.686 134.486 22.332 1.00 0.00 H ATOM 111 HD21 LEU A 140 114.225 135.441 24.764 1.00 0.00 H ATOM 112 HD22 LEU A 140 112.653 136.066 24.206 1.00 0.00 H ATOM 113 HD23 LEU A 140 112.792 134.384 24.776 1.00 0.00 H ATOM 114 HD11 LEU A 140 114.666 133.194 21.778 1.00 0.00 H ATOM 115 HD12 LEU A 140 115.430 133.693 23.307 1.00 0.00 H ATOM 116 HD13 LEU A 140 113.963 132.683 23.332 1.00 0.00 H ATOM 117 H LEU A 140 112.418 136.075 20.345 1.00 0.00 H ATOM 118 N PHE A 141 114.258 138.411 20.033 1.00 4.59 N ATOM 119 CA PHE A 141 115.033 139.403 19.275 1.00 6.02 C ATOM 120 C PHE A 141 114.190 139.877 18.109 1.00 5.01 C ATOM 121 O PHE A 141 113.215 139.229 17.759 1.00 6.58 O ATOM 122 CB PHE A 141 116.306 138.748 18.667 1.00 9.76 C ATOM 123 CG PHE A 141 117.174 138.035 19.666 1.00 7.65 C ATOM 124 CD1 PHE A 141 116.956 136.699 19.962 1.00 15.98 C ATOM 125 CD2 PHE A 141 118.192 138.707 20.321 1.00 15.03 C ATOM 126 CE1 PHE A 141 117.735 136.044 20.911 1.00 15.62 C ATOM 127 CE2 PHE A 141 118.977 138.057 21.269 1.00 16.20 C ATOM 128 CZ PHE A 141 118.742 136.727 21.556 1.00 13.12 C ATOM 129 HA PHE A 141 115.309 140.217 19.945 1.00 0.00 H ATOM 130 HB2 PHE A 141 115.992 138.027 17.912 1.00 0.00 H ATOM 131 HB3 PHE A 141 116.900 139.530 18.195 1.00 0.00 H ATOM 132 HD2 PHE A 141 118.381 139.756 20.092 1.00 0.00 H ATOM 133 HE2 PHE A 141 119.774 138.595 21.782 1.00 0.00 H ATOM 134 HZ PHE A 141 119.356 136.215 22.297 1.00 0.00 H ATOM 135 HE1 PHE A 141 117.549 134.995 21.143 1.00 0.00 H ATOM 136 HD1 PHE A 141 116.165 136.155 19.446 1.00 0.00 H ATOM 137 H PHE A 141 113.592 137.810 19.507 1.00 0.00 H ATOM 138 N ASP A 142 114.563 141.006 17.514 1.00 9.36 N ATOM 139 CA ASP A 142 113.873 141.524 16.323 1.00 9.03 C ATOM 140 C ASP A 142 114.297 140.614 15.165 1.00 8.31 C ATOM 141 O ASP A 142 115.414 140.097 15.158 1.00 8.90 O ATOM 142 CB ASP A 142 114.356 142.932 15.936 1.00 9.27 C ATOM 143 CG ASP A 142 114.084 143.990 16.993 1.00 12.58 C ATOM 144 OD1 ASP A 142 113.162 143.855 17.814 1.00 8.21 O ATOM 145 OD2 ASP A 142 114.792 145.007 16.962 1.00 11.16 O ATOM 146 HA ASP A 142 112.802 141.555 16.522 1.00 0.00 H ATOM 147 HB2 ASP A 142 115.431 142.890 15.761 1.00 0.00 H ATOM 148 HB3 ASP A 142 113.851 143.228 15.017 1.00 0.00 H ATOM 149 H ASP A 142 115.367 141.539 17.903 1.00 0.00 H ATOM 150 N PHE A 143 113.444 140.464 14.165 1.00 6.86 N ATOM 151 CA PHE A 143 113.784 139.652 13.008 1.00 4.71 C ATOM 152 C PHE A 143 113.264 140.486 11.855 1.00 8.20 C ATOM 153 O PHE A 143 112.081 140.827 11.795 1.00 7.91 O ATOM 154 CB PHE A 143 113.111 138.256 13.062 1.00 7.48 C ATOM 155 CG PHE A 143 113.254 137.444 11.787 1.00 9.89 C ATOM 156 CD1 PHE A 143 114.517 137.093 11.295 1.00 10.27 C ATOM 157 CD2 PHE A 143 112.126 137.050 11.066 1.00 8.21 C ATOM 158 CE1 PHE A 143 114.645 136.357 10.096 1.00 8.83 C ATOM 159 CE2 PHE A 143 112.242 136.309 9.862 1.00 10.63 C ATOM 160 CZ PHE A 143 113.511 135.973 9.385 1.00 11.18 C ATOM 161 HA PHE A 143 114.849 139.432 12.935 1.00 0.00 H ATOM 162 HB2 PHE A 143 113.560 137.691 13.879 1.00 0.00 H ATOM 163 HB3 PHE A 143 112.048 138.396 13.260 1.00 0.00 H ATOM 164 HD2 PHE A 143 111.136 137.317 11.435 1.00 0.00 H ATOM 165 HE2 PHE A 143 111.350 136.005 9.315 1.00 0.00 H ATOM 166 HZ PHE A 143 113.614 135.411 8.457 1.00 0.00 H ATOM 167 HE1 PHE A 143 115.635 136.089 9.726 1.00 0.00 H ATOM 168 HD1 PHE A 143 115.411 137.391 11.843 1.00 0.00 H ATOM 169 H PHE A 143 112.517 140.934 14.207 1.00 0.00 H ATOM 170 N ASN A 144 114.169 140.885 10.977 1.00 7.49 N ATOM 171 CA ASN A 144 113.781 141.724 9.858 1.00 10.46 C ATOM 172 C ASN A 144 113.188 140.957 8.686 1.00 11.80 C ATOM 173 O ASN A 144 112.430 141.520 7.907 1.00 15.04 O ATOM 174 CB ASN A 144 114.983 142.543 9.386 1.00 12.75 C ATOM 175 CG ASN A 144 115.396 143.579 10.386 1.00 15.73 C ATOM 176 OD1 ASN A 144 114.586 144.026 11.200 1.00 16.22 O ATOM 177 ND2 ASN A 144 116.662 143.958 10.355 1.00 15.84 N ATOM 178 HA ASN A 144 112.989 142.376 10.226 1.00 0.00 H ATOM 179 HB2 ASN A 144 115.821 141.868 9.214 1.00 0.00 H ATOM 180 HB3 ASN A 144 114.722 143.041 8.452 1.00 0.00 H ATOM 181 HD22 ASN A 144 117.309 143.552 9.649 1.00 0.00 H ATOM 182 HD21 ASN A 144 117.011 144.662 11.037 1.00 0.00 H ATOM 183 H ASN A 144 115.162 140.597 11.089 1.00 0.00 H ATOM 184 N GLY A 145 113.514 139.674 8.568 1.00 10.44 N ATOM 185 CA GLY A 145 113.006 138.903 7.452 1.00 11.62 C ATOM 186 C GLY A 145 114.029 139.002 6.338 1.00 16.80 C ATOM 187 O GLY A 145 114.640 140.056 6.132 1.00 15.07 O ATOM 188 HA3 GLY A 145 112.051 139.310 7.120 1.00 0.00 H ATOM 189 HA2 GLY A 145 112.873 137.862 7.746 1.00 0.00 H ATOM 190 H GLY A 145 114.132 139.225 9.274 1.00 0.00 H ATOM 191 N ASN A 146 114.243 137.894 5.641 1.00 18.58 N ATOM 192 CA ASN A 146 115.219 137.837 4.555 1.00 24.59 C ATOM 193 C ASN A 146 114.518 137.507 3.252 1.00 23.11 C ATOM 194 O ASN A 146 114.680 138.200 2.253 1.00 29.20 O ATOM 195 CB ASN A 146 116.292 136.788 4.868 1.00 30.88 C ATOM 196 CG ASN A 146 117.015 137.066 6.188 1.00 35.40 C ATOM 197 OD1 ASN A 146 117.549 138.147 6.394 1.00 43.40 O ATOM 198 ND2 ASN A 146 116.993 136.110 7.099 1.00 40.90 N ATOM 199 HA ASN A 146 115.703 138.808 4.456 1.00 0.00 H ATOM 200 HB2 ASN A 146 115.817 135.809 4.929 1.00 0.00 H ATOM 201 HB3 ASN A 146 117.025 136.786 4.061 1.00 0.00 H ATOM 202 HD22 ASN A 146 116.530 135.203 6.890 1.00 0.00 H ATOM 203 HD21 ASN A 146 117.439 136.264 8.026 1.00 0.00 H ATOM 204 H ASN A 146 113.699 137.039 5.875 1.00 0.00 H ATOM 205 N ASP A 147 113.744 136.434 3.267 1.00 20.23 N ATOM 206 CA ASP A 147 112.983 136.030 2.107 1.00 17.64 C ATOM 207 C ASP A 147 111.603 136.637 2.198 1.00 16.38 C ATOM 208 O ASP A 147 111.144 136.985 3.279 1.00 15.31 O ATOM 209 CB ASP A 147 112.897 134.510 2.029 1.00 22.08 C ATOM 210 CG ASP A 147 114.177 133.892 1.497 1.00 30.70 C ATOM 211 OD1 ASP A 147 115.113 134.653 1.134 1.00 27.87 O ATOM 212 OD2 ASP A 147 114.232 132.643 1.414 1.00 32.82 O ATOM 213 HA ASP A 147 113.478 136.382 1.202 1.00 0.00 H ATOM 214 HB2 ASP A 147 112.705 134.117 3.027 1.00 0.00 H ATOM 215 HB3 ASP A 147 112.074 134.238 1.368 1.00 0.00 H ATOM 216 H ASP A 147 113.682 135.867 4.136 1.00 0.00 H ATOM 217 N GLU A 148 110.946 136.770 1.059 1.00 12.05 N ATOM 218 CA GLU A 148 109.617 137.345 1.018 1.00 9.31 C ATOM 219 C GLU A 148 108.588 136.550 1.809 1.00 11.13 C ATOM 220 O GLU A 148 107.568 137.108 2.199 1.00 13.92 O ATOM 221 CB GLU A 148 109.171 137.501 -0.427 1.00 9.70 C ATOM 222 CG GLU A 148 109.891 138.601 -1.161 1.00 15.33 C ATOM 223 CD GLU A 148 109.564 139.965 -0.587 1.00 24.00 C ATOM 224 OE1 GLU A 148 108.463 140.473 -0.873 1.00 25.17 O ATOM 225 OE2 GLU A 148 110.399 140.517 0.168 1.00 29.73 O ATOM 226 HA GLU A 148 109.679 138.321 1.499 1.00 0.00 H ATOM 227 HB2 GLU A 148 109.353 136.561 -0.948 1.00 0.00 H ATOM 228 HB3 GLU A 148 108.103 137.720 -0.437 1.00 0.00 H ATOM 229 HG2 GLU A 148 110.965 138.433 -1.084 1.00 0.00 H ATOM 230 HG3 GLU A 148 109.595 138.579 -2.210 1.00 0.00 H ATOM 231 H GLU A 148 111.392 136.455 0.174 1.00 0.00 H ATOM 232 N GLU A 149 108.825 135.250 2.014 1.00 10.65 N ATOM 233 CA GLU A 149 107.907 134.401 2.792 1.00 10.55 C ATOM 234 C GLU A 149 108.053 134.609 4.310 1.00 10.33 C ATOM 235 O GLU A 149 107.263 134.086 5.089 1.00 10.15 O ATOM 236 CB GLU A 149 108.169 132.914 2.511 1.00 10.74 C ATOM 237 CG GLU A 149 109.508 132.422 3.071 1.00 20.75 C ATOM 238 CD GLU A 149 109.769 130.940 2.822 1.00 31.10 C ATOM 239 OE1 GLU A 149 108.886 130.116 3.153 1.00 31.48 O ATOM 240 OE2 GLU A 149 110.854 130.598 2.290 1.00 33.74 O ATOM 241 HA GLU A 149 106.903 134.691 2.481 1.00 0.00 H ATOM 242 HB2 GLU A 149 107.368 132.329 2.963 1.00 0.00 H ATOM 243 HB3 GLU A 149 108.166 132.759 1.432 1.00 0.00 H ATOM 244 HG2 GLU A 149 110.308 132.996 2.604 1.00 0.00 H ATOM 245 HG3 GLU A 149 109.517 132.597 4.147 1.00 0.00 H ATOM 246 H GLU A 149 109.685 134.825 1.611 1.00 0.00 H ATOM 247 N ASP A 150 109.101 135.297 4.732 1.00 6.36 N ATOM 248 CA ASP A 150 109.342 135.514 6.150 1.00 6.72 C ATOM 249 C ASP A 150 108.404 136.495 6.826 1.00 8.08 C ATOM 250 O ASP A 150 107.961 137.470 6.213 1.00 10.70 O ATOM 251 CB ASP A 150 110.784 136.001 6.353 1.00 7.76 C ATOM 252 CG ASP A 150 111.807 134.948 5.993 1.00 8.49 C ATOM 253 OD1 ASP A 150 111.376 133.809 5.785 1.00 11.25 O ATOM 254 OD2 ASP A 150 113.016 135.246 5.924 1.00 9.38 O ATOM 255 HA ASP A 150 109.158 134.548 6.620 1.00 0.00 H ATOM 256 HB2 ASP A 150 110.949 136.877 5.726 1.00 0.00 H ATOM 257 HB3 ASP A 150 110.917 136.274 7.400 1.00 0.00 H ATOM 258 H ASP A 150 109.766 135.691 4.036 1.00 0.00 H ATOM 259 N LEU A 151 108.174 136.282 8.118 1.00 11.00 N ATOM 260 CA LEU A 151 107.323 137.175 8.910 1.00 9.51 C ATOM 261 C LEU A 151 108.237 138.024 9.796 1.00 6.74 C ATOM 262 O LEU A 151 108.829 137.517 10.754 1.00 4.07 O ATOM 263 CB LEU A 151 106.340 136.395 9.792 1.00 3.98 C ATOM 264 CG LEU A 151 105.432 137.212 10.727 1.00 2.00 C ATOM 265 CD1 LEU A 151 104.567 138.191 9.919 1.00 5.89 C ATOM 266 CD2 LEU A 151 104.534 136.266 11.545 1.00 5.65 C ATOM 267 HA LEU A 151 106.732 137.794 8.235 1.00 0.00 H ATOM 268 HB2 LEU A 151 105.695 135.816 9.131 1.00 0.00 H ATOM 269 HB3 LEU A 151 106.924 135.716 10.413 1.00 0.00 H ATOM 270 HG LEU A 151 106.060 137.786 11.408 1.00 0.00 H ATOM 271 HD21 LEU A 151 103.916 135.677 10.867 1.00 0.00 H ATOM 272 HD22 LEU A 151 105.158 135.600 12.141 1.00 0.00 H ATOM 273 HD23 LEU A 151 103.895 136.853 12.204 1.00 0.00 H ATOM 274 HD11 LEU A 151 105.213 138.874 9.367 1.00 0.00 H ATOM 275 HD12 LEU A 151 103.945 137.632 9.220 1.00 0.00 H ATOM 276 HD13 LEU A 151 103.932 138.759 10.599 1.00 0.00 H ATOM 277 H LEU A 151 108.610 135.459 8.580 1.00 0.00 H ATOM 278 N PRO A 152 108.422 139.303 9.437 1.00 6.70 N ATOM 279 CA PRO A 152 109.275 140.193 10.234 1.00 5.21 C ATOM 280 C PRO A 152 108.585 140.427 11.574 1.00 4.48 C ATOM 281 O PRO A 152 107.358 140.405 11.645 1.00 6.21 O ATOM 282 CB PRO A 152 109.283 141.491 9.406 1.00 4.46 C ATOM 283 CG PRO A 152 108.992 141.036 8.003 1.00 5.68 C ATOM 284 CD PRO A 152 107.935 139.984 8.225 1.00 6.89 C ATOM 285 HA PRO A 152 110.277 139.813 10.431 1.00 0.00 H ATOM 286 HD3 PRO A 152 106.957 140.435 8.391 1.00 0.00 H ATOM 287 HD2 PRO A 152 107.878 139.296 7.381 1.00 0.00 H ATOM 288 HG3 PRO A 152 109.879 140.613 7.532 1.00 0.00 H ATOM 289 HG2 PRO A 152 108.613 141.855 7.392 1.00 0.00 H ATOM 290 HB2 PRO A 152 108.514 142.179 9.757 1.00 0.00 H ATOM 291 HB3 PRO A 152 110.256 141.979 9.460 1.00 0.00 H ATOM 292 N PHE A 153 109.352 140.632 12.639 1.00 5.09 N ATOM 293 CA PHE A 153 108.786 140.890 13.955 1.00 5.03 C ATOM 294 C PHE A 153 109.800 141.584 14.848 1.00 6.74 C ATOM 295 O PHE A 153 110.987 141.672 14.512 1.00 4.38 O ATOM 296 CB PHE A 153 108.238 139.613 14.633 1.00 4.01 C ATOM 297 CG PHE A 153 109.237 138.484 14.770 1.00 2.06 C ATOM 298 CD1 PHE A 153 110.199 138.489 15.770 1.00 4.42 C ATOM 299 CD2 PHE A 153 109.184 137.385 13.907 1.00 5.34 C ATOM 300 CE1 PHE A 153 111.095 137.425 15.916 1.00 3.51 C ATOM 301 CE2 PHE A 153 110.069 136.319 14.041 1.00 5.35 C ATOM 302 CZ PHE A 153 111.036 136.335 15.052 1.00 2.32 C ATOM 303 HA PHE A 153 107.934 141.553 13.807 1.00 0.00 H ATOM 304 HB2 PHE A 153 107.891 139.882 15.631 1.00 0.00 H ATOM 305 HB3 PHE A 153 107.396 139.251 14.043 1.00 0.00 H ATOM 306 HD2 PHE A 153 108.436 137.363 13.115 1.00 0.00 H ATOM 307 HE2 PHE A 153 110.009 135.472 13.358 1.00 0.00 H ATOM 308 HZ PHE A 153 111.734 135.505 15.162 1.00 0.00 H ATOM 309 HE1 PHE A 153 111.842 137.449 16.709 1.00 0.00 H ATOM 310 HD1 PHE A 153 110.257 139.336 16.453 1.00 0.00 H ATOM 311 H PHE A 153 110.386 140.607 12.529 1.00 0.00 H ATOM 312 N LYS A 154 109.328 142.095 15.982 1.00 7.12 N ATOM 313 CA LYS A 154 110.198 142.790 16.939 1.00 8.60 C ATOM 314 C LYS A 154 110.231 142.050 18.279 1.00 5.61 C ATOM 315 O LYS A 154 109.259 141.411 18.673 1.00 3.55 O ATOM 316 CB LYS A 154 109.704 144.226 17.174 1.00 5.97 C ATOM 317 CG LYS A 154 109.708 145.127 15.949 1.00 6.17 C ATOM 318 CD LYS A 154 111.117 145.481 15.536 1.00 8.13 C ATOM 319 CE LYS A 154 111.068 146.350 14.299 1.00 10.67 C ATOM 320 NZ LYS A 154 112.436 146.701 13.864 1.00 14.54 N ATOM 321 HA LYS A 154 111.202 142.815 16.516 1.00 0.00 H ATOM 322 HB2 LYS A 154 108.682 144.173 17.549 1.00 0.00 H ATOM 323 HB3 LYS A 154 110.344 144.682 17.929 1.00 0.00 H ATOM 324 HG2 LYS A 154 109.215 144.610 15.126 1.00 0.00 H ATOM 325 HG3 LYS A 154 109.164 146.043 16.179 1.00 0.00 H ATOM 326 HD2 LYS A 154 111.609 146.023 16.344 1.00 0.00 H ATOM 327 HD3 LYS A 154 111.674 144.569 15.320 1.00 0.00 H ATOM 328 HE2 LYS A 154 110.516 147.263 14.522 1.00 0.00 H ATOM 329 HE3 LYS A 154 110.564 145.809 13.499 1.00 0.00 H ATOM 330 HZ1 LYS A 154 112.918 147.220 14.625 1.00 0.00 H ATOM 331 HZ2 LYS A 154 112.964 145.831 13.648 1.00 0.00 H ATOM 332 HZ3 LYS A 154 112.386 147.298 13.014 1.00 0.00 H ATOM 333 H LYS A 154 108.315 142.000 16.197 1.00 0.00 H ATOM 334 N LYS A 155 111.348 142.154 18.983 1.00 4.84 N ATOM 335 CA LYS A 155 111.468 141.518 20.273 1.00 7.31 C ATOM 336 C LYS A 155 110.223 141.873 21.100 1.00 9.29 C ATOM 337 O LYS A 155 109.775 143.036 21.110 1.00 11.73 O ATOM 338 CB LYS A 155 112.729 142.018 20.986 1.00 8.58 C ATOM 339 CG LYS A 155 112.873 141.561 22.416 1.00 4.90 C ATOM 340 CD LYS A 155 114.255 141.951 22.945 1.00 9.87 C ATOM 341 CE LYS A 155 114.387 141.591 24.422 1.00 12.14 C ATOM 342 NZ LYS A 155 115.782 141.764 24.900 1.00 19.14 N ATOM 343 HA LYS A 155 111.545 140.437 20.154 1.00 0.00 H ATOM 344 HB2 LYS A 155 113.596 141.665 20.428 1.00 0.00 H ATOM 345 HB3 LYS A 155 112.713 143.108 20.978 1.00 0.00 H ATOM 346 HG2 LYS A 155 112.104 142.034 23.027 1.00 0.00 H ATOM 347 HG3 LYS A 155 112.759 140.478 22.464 1.00 0.00 H ATOM 348 HD2 LYS A 155 115.019 141.420 22.377 1.00 0.00 H ATOM 349 HD3 LYS A 155 114.395 143.025 22.824 1.00 0.00 H ATOM 350 HE2 LYS A 155 114.090 140.551 24.562 1.00 0.00 H ATOM 351 HE3 LYS A 155 113.730 142.236 25.005 1.00 0.00 H ATOM 352 HZ1 LYS A 155 116.414 141.146 24.352 1.00 0.00 H ATOM 353 HZ2 LYS A 155 116.070 142.756 24.775 1.00 0.00 H ATOM 354 HZ3 LYS A 155 115.836 141.511 25.907 1.00 0.00 H ATOM 355 H LYS A 155 112.147 142.700 18.602 1.00 0.00 H ATOM 356 N GLY A 156 109.651 140.867 21.755 1.00 5.29 N ATOM 357 CA GLY A 156 108.481 141.090 22.564 1.00 7.60 C ATOM 358 C GLY A 156 107.176 140.713 21.894 1.00 6.97 C ATOM 359 O GLY A 156 106.184 140.478 22.578 1.00 8.05 O ATOM 360 HA3 GLY A 156 108.440 142.149 22.820 1.00 0.00 H ATOM 361 HA2 GLY A 156 108.579 140.501 23.476 1.00 0.00 H ATOM 362 H GLY A 156 110.052 139.910 21.682 1.00 0.00 H ATOM 363 N ASP A 157 107.154 140.635 20.571 1.00 7.28 N ATOM 364 CA ASP A 157 105.915 140.284 19.891 1.00 7.77 C ATOM 365 C ASP A 157 105.473 138.883 20.268 1.00 7.64 C ATOM 366 O ASP A 157 106.305 138.027 20.463 1.00 4.83 O ATOM 367 CB ASP A 157 106.077 140.315 18.361 1.00 10.11 C ATOM 368 CG ASP A 157 106.143 141.725 17.789 1.00 9.42 C ATOM 369 OD1 ASP A 157 105.812 142.703 18.495 1.00 7.06 O ATOM 370 OD2 ASP A 157 106.518 141.852 16.605 1.00 8.07 O ATOM 371 HA ASP A 157 105.175 141.022 20.201 1.00 0.00 H ATOM 372 HB2 ASP A 157 106.997 139.792 18.100 1.00 0.00 H ATOM 373 HB3 ASP A 157 105.228 139.799 17.913 1.00 0.00 H ATOM 374 H ASP A 157 108.017 140.823 20.022 1.00 0.00 H ATOM 375 N ILE A 158 104.165 138.678 20.394 1.00 3.02 N ATOM 376 CA ILE A 158 103.611 137.355 20.672 1.00 7.11 C ATOM 377 C ILE A 158 103.104 136.840 19.328 1.00 7.00 C ATOM 378 O ILE A 158 102.366 137.547 18.612 1.00 8.56 O ATOM 379 CB ILE A 158 102.463 137.393 21.730 1.00 11.79 C ATOM 380 CG1 ILE A 158 102.981 137.964 23.067 1.00 10.30 C ATOM 381 CG2 ILE A 158 101.914 135.973 21.972 1.00 8.59 C ATOM 382 CD1 ILE A 158 104.144 137.192 23.665 1.00 9.65 C ATOM 383 HA ILE A 158 104.369 136.703 21.105 1.00 0.00 H ATOM 384 HB ILE A 158 101.669 138.033 21.346 1.00 0.00 H ATOM 385 HG12 ILE A 158 103.303 138.992 22.898 1.00 0.00 H ATOM 386 HG13 ILE A 158 102.160 137.955 23.784 1.00 0.00 H ATOM 387 HD11 ILE A 158 103.837 136.163 23.853 1.00 0.00 H ATOM 388 HD12 ILE A 158 104.981 137.201 22.967 1.00 0.00 H ATOM 389 HD13 ILE A 158 104.446 137.660 24.602 1.00 0.00 H ATOM 390 HG21 ILE A 158 101.525 135.571 21.037 1.00 0.00 H ATOM 391 HG22 ILE A 158 102.716 135.332 22.338 1.00 0.00 H ATOM 392 HG23 ILE A 158 101.115 136.015 22.712 1.00 0.00 H ATOM 393 H ILE A 158 103.516 139.484 20.291 1.00 0.00 H ATOM 394 N LEU A 159 103.601 135.672 18.926 1.00 6.55 N ATOM 395 CA LEU A 159 103.222 135.060 17.648 1.00 6.75 C ATOM 396 C LEU A 159 102.529 133.711 17.843 1.00 4.35 C ATOM 397 O LEU A 159 102.875 132.957 18.749 1.00 5.14 O ATOM 398 CB LEU A 159 104.469 134.863 16.784 1.00 9.09 C ATOM 399 CG LEU A 159 105.351 136.103 16.599 1.00 10.29 C ATOM 400 CD1 LEU A 159 106.813 135.717 16.485 1.00 12.15 C ATOM 401 CD2 LEU A 159 104.896 136.875 15.390 1.00 14.85 C ATOM 402 HA LEU A 159 102.519 135.733 17.156 1.00 0.00 H ATOM 403 HB2 LEU A 159 105.077 134.085 17.245 1.00 0.00 H ATOM 404 HB3 LEU A 159 104.145 134.532 15.797 1.00 0.00 H ATOM 405 HG LEU A 159 105.251 136.741 17.477 1.00 0.00 H ATOM 406 HD21 LEU A 159 104.973 136.242 14.506 1.00 0.00 H ATOM 407 HD22 LEU A 159 103.860 137.185 15.527 1.00 0.00 H ATOM 408 HD23 LEU A 159 105.527 137.755 15.264 1.00 0.00 H ATOM 409 HD11 LEU A 159 107.123 135.199 17.393 1.00 0.00 H ATOM 410 HD12 LEU A 159 106.948 135.060 15.626 1.00 0.00 H ATOM 411 HD13 LEU A 159 107.416 136.616 16.355 1.00 0.00 H ATOM 412 H LEU A 159 104.280 135.177 19.538 1.00 0.00 H ATOM 413 N ARG A 160 101.573 133.391 16.980 1.00 4.51 N ATOM 414 CA ARG A 160 100.899 132.106 17.091 1.00 7.43 C ATOM 415 C ARG A 160 101.451 131.156 16.043 1.00 6.07 C ATOM 416 O ARG A 160 101.544 131.513 14.878 1.00 3.90 O ATOM 417 CB ARG A 160 99.375 132.238 16.935 1.00 9.23 C ATOM 418 CG ARG A 160 98.615 130.985 17.419 1.00 9.88 C ATOM 419 CD ARG A 160 97.102 131.096 17.267 1.00 4.31 C ATOM 420 NE ARG A 160 96.704 131.399 15.891 1.00 6.99 N ATOM 421 CZ ARG A 160 96.578 130.495 14.935 1.00 4.09 C ATOM 422 NH1 ARG A 160 96.815 129.210 15.207 1.00 3.94 N ATOM 423 NH2 ARG A 160 96.298 130.885 13.694 1.00 5.29 N ATOM 424 HA ARG A 160 101.088 131.711 18.089 1.00 0.00 H ATOM 425 HB2 ARG A 160 99.038 133.097 17.516 1.00 0.00 H ATOM 426 HB3 ARG A 160 99.145 132.400 15.882 1.00 0.00 H ATOM 427 HG2 ARG A 160 98.958 130.128 16.840 1.00 0.00 H ATOM 428 HG3 ARG A 160 98.846 130.826 18.472 1.00 0.00 H ATOM 429 HD2 ARG A 160 96.741 131.891 17.920 1.00 0.00 H ATOM 430 HD3 ARG A 160 96.649 130.150 17.563 1.00 0.00 H ATOM 431 HE ARG A 160 96.507 132.391 15.650 1.00 0.00 H ATOM 432 HH12 ARG A 160 96.718 128.494 14.459 1.00 0.00 H ATOM 433 HH11 ARG A 160 97.097 128.925 16.167 1.00 0.00 H ATOM 434 HH22 ARG A 160 96.198 130.179 12.937 1.00 0.00 H ATOM 435 HH21 ARG A 160 96.180 131.896 13.481 1.00 0.00 H ATOM 436 H ARG A 160 101.306 134.057 16.227 1.00 0.00 H ATOM 437 N ILE A 161 101.816 129.944 16.463 1.00 6.34 N ATOM 438 CA ILE A 161 102.357 128.948 15.534 1.00 7.17 C ATOM 439 C ILE A 161 101.222 128.220 14.798 1.00 7.92 C ATOM 440 O ILE A 161 100.278 127.702 15.417 1.00 4.31 O ATOM 441 CB ILE A 161 103.293 127.926 16.256 1.00 5.71 C ATOM 442 CG1 ILE A 161 104.349 128.664 17.091 1.00 3.52 C ATOM 443 CG2 ILE A 161 103.975 126.999 15.238 1.00 4.88 C ATOM 444 CD1 ILE A 161 105.247 129.622 16.282 1.00 5.42 C ATOM 445 HA ILE A 161 102.962 129.481 14.801 1.00 0.00 H ATOM 446 HB ILE A 161 102.682 127.317 16.922 1.00 0.00 H ATOM 447 HG12 ILE A 161 103.834 129.244 17.857 1.00 0.00 H ATOM 448 HG13 ILE A 161 104.987 127.920 17.569 1.00 0.00 H ATOM 449 HD11 ILE A 161 105.782 129.058 15.518 1.00 0.00 H ATOM 450 HD12 ILE A 161 104.628 130.383 15.807 1.00 0.00 H ATOM 451 HD13 ILE A 161 105.963 130.099 16.951 1.00 0.00 H ATOM 452 HG21 ILE A 161 103.215 126.449 14.683 1.00 0.00 H ATOM 453 HG22 ILE A 161 104.571 127.596 14.547 1.00 0.00 H ATOM 454 HG23 ILE A 161 104.621 126.297 15.764 1.00 0.00 H ATOM 455 H ILE A 161 101.715 129.701 17.469 1.00 0.00 H ATOM 456 N ARG A 162 101.300 128.235 13.471 1.00 4.15 N ATOM 457 CA ARG A 162 100.304 127.593 12.630 1.00 5.45 C ATOM 458 C ARG A 162 100.789 126.254 12.058 1.00 8.66 C ATOM 459 O ARG A 162 99.995 125.318 11.855 1.00 9.85 O ATOM 460 CB ARG A 162 99.937 128.510 11.451 1.00 5.85 C ATOM 461 CG ARG A 162 99.360 129.861 11.840 1.00 2.00 C ATOM 462 CD ARG A 162 98.998 130.673 10.599 1.00 3.25 C ATOM 463 NE ARG A 162 97.915 130.041 9.856 1.00 4.01 N ATOM 464 CZ ARG A 162 98.045 129.493 8.654 1.00 4.20 C ATOM 465 NH1 ARG A 162 99.212 129.513 8.021 1.00 5.48 N ATOM 466 NH2 ARG A 162 97.021 128.862 8.114 1.00 4.74 N ATOM 467 HA ARG A 162 99.439 127.405 13.266 1.00 0.00 H ATOM 468 HB2 ARG A 162 100.839 128.684 10.865 1.00 0.00 H ATOM 469 HB3 ARG A 162 99.200 127.992 10.837 1.00 0.00 H ATOM 470 HG2 ARG A 162 98.464 129.708 12.441 1.00 0.00 H ATOM 471 HG3 ARG A 162 100.098 130.410 12.424 1.00 0.00 H ATOM 472 HD2 ARG A 162 99.874 130.750 9.955 1.00 0.00 H ATOM 473 HD3 ARG A 162 98.685 131.671 10.905 1.00 0.00 H ATOM 474 HE ARG A 162 96.974 130.018 10.299 1.00 0.00 H ATOM 475 HH12 ARG A 162 99.300 129.080 7.080 1.00 0.00 H ATOM 476 HH11 ARG A 162 100.038 129.962 8.467 1.00 0.00 H ATOM 477 HH22 ARG A 162 97.114 128.430 7.173 1.00 0.00 H ATOM 478 HH21 ARG A 162 96.120 128.796 8.629 1.00 0.00 H ATOM 479 H ARG A 162 102.100 128.722 13.020 1.00 0.00 H ATOM 480 N ASP A 163 102.090 126.144 11.807 1.00 8.60 N ATOM 481 CA ASP A 163 102.603 124.926 11.206 1.00 10.74 C ATOM 482 C ASP A 163 104.126 124.871 11.382 1.00 11.25 C ATOM 483 O ASP A 163 104.762 125.910 11.563 1.00 6.37 O ATOM 484 CB ASP A 163 102.248 124.970 9.709 1.00 16.81 C ATOM 485 CG ASP A 163 102.424 123.641 9.013 1.00 20.85 C ATOM 486 OD1 ASP A 163 102.070 122.592 9.601 1.00 24.18 O ATOM 487 OD2 ASP A 163 102.898 123.660 7.855 1.00 23.87 O ATOM 488 HA ASP A 163 102.169 124.044 11.677 1.00 0.00 H ATOM 489 HB2 ASP A 163 101.207 125.278 9.609 1.00 0.00 H ATOM 490 HB3 ASP A 163 102.891 125.703 9.222 1.00 0.00 H ATOM 491 H ASP A 163 102.736 126.925 12.040 1.00 0.00 H ATOM 492 N LYS A 164 104.697 123.664 11.321 1.00 6.02 N ATOM 493 CA LYS A 164 106.140 123.474 11.465 1.00 5.06 C ATOM 494 C LYS A 164 106.596 122.609 10.295 1.00 7.89 C ATOM 495 O LYS A 164 106.763 121.393 10.431 1.00 9.16 O ATOM 496 CB LYS A 164 106.456 122.765 12.790 1.00 8.32 C ATOM 497 CG LYS A 164 105.859 123.455 14.004 1.00 7.88 C ATOM 498 CD LYS A 164 106.268 122.780 15.314 1.00 12.16 C ATOM 499 CE LYS A 164 105.634 123.534 16.489 1.00 16.77 C ATOM 500 NZ LYS A 164 106.184 123.194 17.834 1.00 25.08 N ATOM 501 HA LYS A 164 106.655 124.435 11.468 1.00 0.00 H ATOM 502 HB2 LYS A 164 106.062 121.750 12.741 1.00 0.00 H ATOM 503 HB3 LYS A 164 107.539 122.727 12.912 1.00 0.00 H ATOM 504 HG2 LYS A 164 106.199 124.490 14.022 1.00 0.00 H ATOM 505 HG3 LYS A 164 104.772 123.432 13.922 1.00 0.00 H ATOM 506 HD2 LYS A 164 105.923 121.746 15.315 1.00 0.00 H ATOM 507 HD3 LYS A 164 107.353 122.799 15.411 1.00 0.00 H ATOM 508 HE2 LYS A 164 104.567 123.313 16.495 1.00 0.00 H ATOM 509 HE3 LYS A 164 105.782 124.601 16.324 1.00 0.00 H ATOM 510 HZ1 LYS A 164 106.041 122.181 18.020 1.00 0.00 H ATOM 511 HZ2 LYS A 164 107.201 123.411 17.856 1.00 0.00 H ATOM 512 HZ3 LYS A 164 105.693 123.754 18.560 1.00 0.00 H ATOM 513 H LYS A 164 104.094 122.831 11.166 1.00 0.00 H ATOM 514 N PRO A 165 106.751 123.212 9.109 1.00 7.06 N ATOM 515 CA PRO A 165 107.183 122.425 7.952 1.00 5.48 C ATOM 516 C PRO A 165 108.651 122.029 8.048 1.00 13.16 C ATOM 517 O PRO A 165 109.118 121.141 7.329 1.00 15.22 O ATOM 518 CB PRO A 165 106.910 123.373 6.787 1.00 6.97 C ATOM 519 CG PRO A 165 107.092 124.740 7.388 1.00 8.94 C ATOM 520 CD PRO A 165 106.466 124.613 8.741 1.00 4.53 C ATOM 521 HA PRO A 165 106.663 121.472 7.857 1.00 0.00 H ATOM 522 HD3 PRO A 165 106.921 125.305 9.450 1.00 0.00 H ATOM 523 HD2 PRO A 165 105.392 124.796 8.695 1.00 0.00 H ATOM 524 HG3 PRO A 165 106.584 125.498 6.793 1.00 0.00 H ATOM 525 HG2 PRO A 165 108.149 124.992 7.470 1.00 0.00 H ATOM 526 HB2 PRO A 165 107.619 123.207 5.976 1.00 0.00 H ATOM 527 HB3 PRO A 165 105.895 123.245 6.412 1.00 0.00 H ATOM 528 N GLU A 166 109.377 122.691 8.946 1.00 12.26 N ATOM 529 CA GLU A 166 110.788 122.433 9.163 1.00 14.98 C ATOM 530 C GLU A 166 111.025 122.488 10.659 1.00 14.57 C ATOM 531 O GLU A 166 110.217 123.034 11.398 1.00 16.09 O ATOM 532 CB GLU A 166 111.582 123.548 8.537 1.00 19.89 C ATOM 533 CG GLU A 166 112.648 123.092 7.641 1.00 29.07 C ATOM 534 CD GLU A 166 113.447 124.257 7.171 1.00 28.36 C ATOM 535 OE1 GLU A 166 112.928 124.995 6.312 1.00 35.01 O ATOM 536 OE2 GLU A 166 114.562 124.459 7.689 1.00 33.95 O ATOM 537 HA GLU A 166 111.079 121.472 8.739 1.00 0.00 H ATOM 538 HB2 GLU A 166 110.899 124.176 7.965 1.00 0.00 H ATOM 539 HB3 GLU A 166 112.034 124.137 9.335 1.00 0.00 H ATOM 540 HG2 GLU A 166 113.298 122.399 8.175 1.00 0.00 H ATOM 541 HG3 GLU A 166 112.207 122.586 6.782 1.00 0.00 H ATOM 542 H GLU A 166 108.912 123.425 9.517 1.00 0.00 H ATOM 543 N GLU A 167 112.174 122.005 11.103 1.00 12.50 N ATOM 544 CA GLU A 167 112.478 122.022 12.519 1.00 11.92 C ATOM 545 C GLU A 167 112.770 123.424 13.057 1.00 12.27 C ATOM 546 O GLU A 167 112.306 123.777 14.144 1.00 11.03 O ATOM 547 CB GLU A 167 113.675 121.108 12.817 1.00 21.43 C ATOM 548 CG GLU A 167 114.008 121.026 14.294 1.00 29.10 C ATOM 549 CD GLU A 167 115.220 120.178 14.571 1.00 38.82 C ATOM 550 OE1 GLU A 167 115.134 118.933 14.384 1.00 39.25 O ATOM 551 OE2 GLU A 167 116.253 120.765 14.974 1.00 41.87 O ATOM 552 HA GLU A 167 111.584 121.659 13.026 1.00 0.00 H ATOM 553 HB2 GLU A 167 113.444 120.105 12.457 1.00 0.00 H ATOM 554 HB3 GLU A 167 114.546 121.492 12.286 1.00 0.00 H ATOM 555 HG2 GLU A 167 114.195 122.033 14.666 1.00 0.00 H ATOM 556 HG3 GLU A 167 113.155 120.598 14.821 1.00 0.00 H ATOM 557 H GLU A 167 112.863 121.611 10.431 1.00 0.00 H ATOM 558 N GLN A 168 113.565 124.194 12.312 1.00 10.90 N ATOM 559 CA GLN A 168 113.968 125.552 12.709 1.00 11.30 C ATOM 560 C GLN A 168 113.232 126.713 12.028 1.00 8.92 C ATOM 561 O GLN A 168 113.588 127.874 12.253 1.00 9.62 O ATOM 562 CB GLN A 168 115.484 125.777 12.520 1.00 10.17 C ATOM 563 CG GLN A 168 116.405 124.935 13.410 1.00 24.14 C ATOM 564 CD GLN A 168 116.060 124.974 14.895 1.00 29.89 C ATOM 565 OE1 GLN A 168 115.821 123.924 15.495 1.00 40.01 O ATOM 566 NE2 GLN A 168 116.049 126.165 15.500 1.00 21.81 N ATOM 567 HA GLN A 168 113.681 125.578 13.760 1.00 0.00 H ATOM 568 HB2 GLN A 168 115.728 125.553 11.481 1.00 0.00 H ATOM 569 HB3 GLN A 168 115.693 126.827 12.723 1.00 0.00 H ATOM 570 HG2 GLN A 168 116.349 123.899 13.075 1.00 0.00 H ATOM 571 HG3 GLN A 168 117.424 125.301 13.288 1.00 0.00 H ATOM 572 HE22 GLN A 168 116.257 127.027 14.956 1.00 0.00 H ATOM 573 HE21 GLN A 168 115.833 126.231 16.515 1.00 0.00 H ATOM 574 H GLN A 168 113.916 123.817 11.409 1.00 0.00 H ATOM 575 N TRP A 169 112.249 126.409 11.177 1.00 11.00 N ATOM 576 CA TRP A 169 111.459 127.430 10.481 1.00 10.03 C ATOM 577 C TRP A 169 109.992 127.024 10.571 1.00 11.54 C ATOM 578 O TRP A 169 109.590 125.966 10.082 1.00 9.87 O ATOM 579 CB TRP A 169 111.884 127.584 9.010 1.00 8.57 C ATOM 580 CG TRP A 169 113.230 128.314 8.807 1.00 6.51 C ATOM 581 CD1 TRP A 169 114.466 127.737 8.671 1.00 9.25 C ATOM 582 CD2 TRP A 169 113.444 129.741 8.731 1.00 8.95 C ATOM 583 NE1 TRP A 169 115.435 128.712 8.521 1.00 7.78 N ATOM 584 CE2 TRP A 169 114.840 129.946 8.547 1.00 7.71 C ATOM 585 CE3 TRP A 169 112.592 130.863 8.793 1.00 7.76 C ATOM 586 CZ2 TRP A 169 115.404 131.224 8.423 1.00 4.04 C ATOM 587 CZ3 TRP A 169 113.155 132.141 8.669 1.00 5.18 C ATOM 588 CH2 TRP A 169 114.550 132.307 8.484 1.00 6.85 C ATOM 589 HA TRP A 169 111.624 128.398 10.955 1.00 0.00 H ATOM 590 HB2 TRP A 169 111.966 126.589 8.573 1.00 0.00 H ATOM 591 HB3 TRP A 169 111.109 128.146 8.488 1.00 0.00 H ATOM 592 HE1 TRP A 169 116.454 128.537 8.407 1.00 0.00 H ATOM 593 HD1 TRP A 169 114.657 126.664 8.680 1.00 0.00 H ATOM 594 HZ2 TRP A 169 116.477 131.357 8.284 1.00 0.00 H ATOM 595 HH2 TRP A 169 114.958 133.313 8.388 1.00 0.00 H ATOM 596 HZ3 TRP A 169 112.511 133.019 8.716 1.00 0.00 H ATOM 597 HE3 TRP A 169 111.518 130.739 8.934 1.00 0.00 H ATOM 598 H TRP A 169 112.035 125.407 11.000 1.00 0.00 H ATOM 599 N TRP A 170 109.202 127.854 11.237 1.00 9.39 N ATOM 600 CA TRP A 170 107.793 127.560 11.433 1.00 7.43 C ATOM 601 C TRP A 170 106.927 128.663 10.837 1.00 9.00 C ATOM 602 O TRP A 170 107.397 129.803 10.681 1.00 6.27 O ATOM 603 CB TRP A 170 107.502 127.483 12.932 1.00 2.39 C ATOM 604 CG TRP A 170 108.199 126.370 13.696 1.00 4.81 C ATOM 605 CD1 TRP A 170 108.915 125.336 13.170 1.00 4.59 C ATOM 606 CD2 TRP A 170 108.257 126.212 15.121 1.00 3.75 C ATOM 607 NE1 TRP A 170 109.425 124.544 14.174 1.00 5.69 N ATOM 608 CE2 TRP A 170 109.038 125.055 15.384 1.00 2.76 C ATOM 609 CE3 TRP A 170 107.729 126.938 16.204 1.00 2.42 C ATOM 610 CZ2 TRP A 170 109.304 124.605 16.676 1.00 2.29 C ATOM 611 CZ3 TRP A 170 107.996 126.488 17.495 1.00 3.69 C ATOM 612 CH2 TRP A 170 108.779 125.331 17.716 1.00 3.91 C ATOM 613 HA TRP A 170 107.565 126.614 10.942 1.00 0.00 H ATOM 614 HB2 TRP A 170 107.802 128.431 13.378 1.00 0.00 H ATOM 615 HB3 TRP A 170 106.427 127.349 13.056 1.00 0.00 H ATOM 616 HE1 TRP A 170 110.010 123.695 14.036 1.00 0.00 H ATOM 617 HD1 TRP A 170 109.063 125.161 12.104 1.00 0.00 H ATOM 618 HZ2 TRP A 170 109.905 123.713 16.853 1.00 0.00 H ATOM 619 HH2 TRP A 170 108.971 125.007 18.739 1.00 0.00 H ATOM 620 HZ3 TRP A 170 107.595 127.036 18.348 1.00 0.00 H ATOM 621 HE3 TRP A 170 107.126 127.831 16.037 1.00 0.00 H ATOM 622 H TRP A 170 109.599 128.733 11.627 1.00 0.00 H ATOM 623 N ASN A 171 105.680 128.335 10.486 1.00 8.02 N ATOM 624 CA ASN A 171 104.781 129.366 9.979 1.00 8.91 C ATOM 625 C ASN A 171 104.020 129.869 11.194 1.00 9.55 C ATOM 626 O ASN A 171 103.530 129.083 12.008 1.00 7.44 O ATOM 627 CB ASN A 171 103.802 128.876 8.905 1.00 14.71 C ATOM 628 CG ASN A 171 103.049 130.060 8.216 1.00 26.92 C ATOM 629 OD1 ASN A 171 102.034 130.585 8.730 1.00 20.07 O ATOM 630 ND2 ASN A 171 103.582 130.509 7.079 1.00 26.54 N ATOM 631 HA ASN A 171 105.364 130.141 9.481 1.00 0.00 H ATOM 632 HB2 ASN A 171 104.358 128.323 8.147 1.00 0.00 H ATOM 633 HB3 ASN A 171 103.070 128.216 9.370 1.00 0.00 H ATOM 634 HD22 ASN A 171 104.425 130.048 6.682 1.00 0.00 H ATOM 635 HD21 ASN A 171 103.154 131.321 6.589 1.00 0.00 H ATOM 636 H ASN A 171 105.353 127.352 10.574 1.00 0.00 H ATOM 637 N ALA A 172 103.943 131.183 11.324 1.00 9.80 N ATOM 638 CA ALA A 172 103.294 131.809 12.453 1.00 5.85 C ATOM 639 C ALA A 172 102.434 132.969 11.988 1.00 8.29 C ATOM 640 O ALA A 172 102.501 133.386 10.835 1.00 5.17 O ATOM 641 CB ALA A 172 104.374 132.316 13.436 1.00 9.59 C ATOM 642 HA ALA A 172 102.653 131.082 12.952 1.00 0.00 H ATOM 643 HB1 ALA A 172 104.976 131.474 13.778 1.00 0.00 H ATOM 644 HB2 ALA A 172 105.013 133.040 12.930 1.00 0.00 H ATOM 645 HB3 ALA A 172 103.892 132.790 14.291 1.00 0.00 H ATOM 646 H ALA A 172 104.364 131.786 10.589 1.00 0.00 H ATOM 647 N GLU A 173 101.647 133.510 12.909 1.00 6.82 N ATOM 648 CA GLU A 173 100.777 134.631 12.599 1.00 10.12 C ATOM 649 C GLU A 173 100.973 135.724 13.650 1.00 7.19 C ATOM 650 O GLU A 173 101.119 135.426 14.850 1.00 11.33 O ATOM 651 CB GLU A 173 99.324 134.165 12.592 1.00 9.28 C ATOM 652 CG GLU A 173 98.359 135.322 12.628 1.00 20.54 C ATOM 653 CD GLU A 173 96.923 134.890 12.663 1.00 27.84 C ATOM 654 OE1 GLU A 173 96.365 134.725 11.568 1.00 38.80 O ATOM 655 OE2 GLU A 173 96.366 134.733 13.754 1.00 34.33 O ATOM 656 HA GLU A 173 101.024 135.029 11.615 1.00 0.00 H ATOM 657 HB2 GLU A 173 99.145 133.585 11.687 1.00 0.00 H ATOM 658 HB3 GLU A 173 99.152 133.536 13.465 1.00 0.00 H ATOM 659 HG2 GLU A 173 98.564 135.918 13.518 1.00 0.00 H ATOM 660 HG3 GLU A 173 98.516 135.933 11.739 1.00 0.00 H ATOM 661 H GLU A 173 101.653 133.123 13.874 1.00 0.00 H ATOM 662 N ASP A 174 100.975 136.985 13.233 1.00 5.23 N ATOM 663 CA ASP A 174 101.179 138.035 14.211 1.00 3.51 C ATOM 664 C ASP A 174 99.872 138.627 14.735 1.00 6.16 C ATOM 665 O ASP A 174 98.783 138.198 14.327 1.00 6.31 O ATOM 666 CB ASP A 174 102.153 139.100 13.679 1.00 9.43 C ATOM 667 CG ASP A 174 101.584 139.938 12.539 1.00 7.29 C ATOM 668 OD1 ASP A 174 100.356 139.993 12.346 1.00 6.61 O ATOM 669 OD2 ASP A 174 102.406 140.580 11.859 1.00 7.12 O ATOM 670 HA ASP A 174 101.646 137.578 15.083 1.00 0.00 H ATOM 671 HB2 ASP A 174 102.415 139.768 14.500 1.00 0.00 H ATOM 672 HB3 ASP A 174 103.051 138.597 13.321 1.00 0.00 H ATOM 673 H ASP A 174 100.834 137.214 12.228 1.00 0.00 H ATOM 674 N SER A 175 99.966 139.590 15.652 1.00 6.51 N ATOM 675 CA SER A 175 98.763 140.188 16.235 1.00 6.50 C ATOM 676 C SER A 175 97.889 140.878 15.203 1.00 7.94 C ATOM 677 O SER A 175 96.713 141.152 15.473 1.00 12.74 O ATOM 678 CB SER A 175 99.120 141.153 17.375 1.00 7.60 C ATOM 679 OG SER A 175 99.690 142.347 16.856 1.00 12.05 O ATOM 680 HA SER A 175 98.179 139.364 16.645 1.00 0.00 H ATOM 681 HB2 SER A 175 99.837 140.673 18.041 1.00 0.00 H ATOM 682 HB3 SER A 175 98.217 141.399 17.933 1.00 0.00 H ATOM 683 HG SER A 175 99.914 142.957 17.603 1.00 0.00 H ATOM 684 H SER A 175 100.904 139.920 15.957 1.00 0.00 H ATOM 685 N GLU A 176 98.450 141.197 14.037 1.00 8.27 N ATOM 686 CA GLU A 176 97.655 141.832 12.995 1.00 10.08 C ATOM 687 C GLU A 176 97.040 140.823 12.017 1.00 10.39 C ATOM 688 O GLU A 176 96.310 141.211 11.089 1.00 10.55 O ATOM 689 CB GLU A 176 98.475 142.872 12.231 1.00 12.35 C ATOM 690 CG GLU A 176 98.873 144.062 13.043 1.00 12.02 C ATOM 691 CD GLU A 176 99.503 145.119 12.184 1.00 12.62 C ATOM 692 OE1 GLU A 176 100.481 144.836 11.460 1.00 19.47 O ATOM 693 OE2 GLU A 176 98.990 146.237 12.211 1.00 22.99 O ATOM 694 HA GLU A 176 96.832 142.332 13.505 1.00 0.00 H ATOM 695 HB2 GLU A 176 99.382 142.390 11.865 1.00 0.00 H ATOM 696 HB3 GLU A 176 97.882 143.219 11.385 1.00 0.00 H ATOM 697 HG2 GLU A 176 97.987 144.476 13.525 1.00 0.00 H ATOM 698 HG3 GLU A 176 99.587 143.750 13.805 1.00 0.00 H ATOM 699 H GLU A 176 99.456 140.992 13.871 1.00 0.00 H ATOM 700 N GLY A 177 97.303 139.537 12.251 1.00 8.40 N ATOM 701 CA GLY A 177 96.790 138.486 11.381 1.00 6.28 C ATOM 702 C GLY A 177 97.692 138.140 10.211 1.00 8.42 C ATOM 703 O GLY A 177 97.327 137.304 9.384 1.00 10.38 O ATOM 704 HA3 GLY A 177 95.828 138.811 10.985 1.00 0.00 H ATOM 705 HA2 GLY A 177 96.649 137.586 11.980 1.00 0.00 H ATOM 706 H GLY A 177 97.887 139.278 13.072 1.00 0.00 H ATOM 707 N LYS A 178 98.848 138.802 10.109 1.00 7.91 N ATOM 708 CA LYS A 178 99.791 138.539 9.018 1.00 12.65 C ATOM 709 C LYS A 178 100.527 137.234 9.275 1.00 10.42 C ATOM 710 O LYS A 178 100.892 136.932 10.414 1.00 7.52 O ATOM 711 CB LYS A 178 100.805 139.667 8.882 1.00 13.31 C ATOM 712 CG LYS A 178 100.194 141.021 8.559 1.00 23.39 C ATOM 713 CD LYS A 178 100.964 142.124 9.240 1.00 30.45 C ATOM 714 CE LYS A 178 102.472 141.964 9.031 1.00 34.21 C ATOM 715 NZ LYS A 178 103.236 142.684 10.080 1.00 40.04 N ATOM 716 HA LYS A 178 99.221 138.470 8.091 1.00 0.00 H ATOM 717 HB2 LYS A 178 101.349 139.753 9.823 1.00 0.00 H ATOM 718 HB3 LYS A 178 101.501 139.407 8.084 1.00 0.00 H ATOM 719 HG2 LYS A 178 100.219 141.178 7.481 1.00 0.00 H ATOM 720 HG3 LYS A 178 99.160 141.040 8.903 1.00 0.00 H ATOM 721 HD2 LYS A 178 100.649 143.083 8.829 1.00 0.00 H ATOM 722 HD3 LYS A 178 100.749 142.100 10.308 1.00 0.00 H ATOM 723 HE2 LYS A 178 102.741 142.367 8.055 1.00 0.00 H ATOM 724 HE3 LYS A 178 102.727 140.905 9.069 1.00 0.00 H ATOM 725 HZ1 LYS A 178 103.000 143.696 10.046 1.00 0.00 H ATOM 726 HZ2 LYS A 178 102.986 142.300 11.014 1.00 0.00 H ATOM 727 HZ3 LYS A 178 104.255 142.558 9.913 1.00 0.00 H ATOM 728 H LYS A 178 99.085 139.522 10.821 1.00 0.00 H ATOM 729 N ARG A 179 100.774 136.489 8.203 1.00 8.62 N ATOM 730 CA ARG A 179 101.438 135.198 8.299 1.00 7.66 C ATOM 731 C ARG A 179 102.780 135.163 7.589 1.00 6.95 C ATOM 732 O ARG A 179 102.989 135.852 6.583 1.00 7.02 O ATOM 733 CB ARG A 179 100.571 134.123 7.661 1.00 7.90 C ATOM 734 CG ARG A 179 99.222 133.925 8.268 1.00 10.74 C ATOM 735 CD ARG A 179 98.405 133.060 7.320 1.00 14.53 C ATOM 736 NE ARG A 179 97.075 132.775 7.845 1.00 14.02 N ATOM 737 CZ ARG A 179 96.169 131.996 7.249 1.00 14.07 C ATOM 738 NH1 ARG A 179 96.437 131.408 6.079 1.00 14.71 N ATOM 739 NH2 ARG A 179 95.005 131.778 7.837 1.00 8.44 N ATOM 740 HA ARG A 179 101.597 135.022 9.363 1.00 0.00 H ATOM 741 HB2 ARG A 179 100.430 134.386 6.613 1.00 0.00 H ATOM 742 HB3 ARG A 179 101.109 133.177 7.727 1.00 0.00 H ATOM 743 HG2 ARG A 179 99.319 133.428 9.233 1.00 0.00 H ATOM 744 HG3 ARG A 179 98.732 134.889 8.405 1.00 0.00 H ATOM 745 HD2 ARG A 179 98.930 132.118 7.163 1.00 0.00 H ATOM 746 HD3 ARG A 179 98.303 133.581 6.368 1.00 0.00 H ATOM 747 HE ARG A 179 96.812 133.211 8.752 1.00 0.00 H ATOM 748 HH12 ARG A 179 95.723 130.804 5.625 1.00 0.00 H ATOM 749 HH11 ARG A 179 97.360 131.555 5.623 1.00 0.00 H ATOM 750 HH22 ARG A 179 94.296 131.172 7.377 1.00 0.00 H ATOM 751 HH21 ARG A 179 94.799 132.212 8.759 1.00 0.00 H ATOM 752 H ARG A 179 100.484 136.839 7.268 1.00 0.00 H ATOM 753 N GLY A 180 103.653 134.286 8.065 1.00 6.86 N ATOM 754 CA GLY A 180 104.942 134.131 7.435 1.00 6.18 C ATOM 755 C GLY A 180 105.793 133.153 8.182 1.00 5.17 C ATOM 756 O GLY A 180 105.386 132.678 9.233 1.00 5.29 O ATOM 757 HA3 GLY A 180 105.446 135.097 7.412 1.00 0.00 H ATOM 758 HA2 GLY A 180 104.799 133.773 6.415 1.00 0.00 H ATOM 759 H GLY A 180 103.408 133.708 8.894 1.00 0.00 H ATOM 760 N MET A 181 106.989 132.894 7.663 1.00 3.73 N ATOM 761 CA MET A 181 107.925 131.962 8.283 1.00 4.88 C ATOM 762 C MET A 181 108.751 132.692 9.311 1.00 5.89 C ATOM 763 O MET A 181 109.114 133.857 9.108 1.00 6.32 O ATOM 764 CB MET A 181 108.883 131.405 7.230 1.00 6.48 C ATOM 765 CG MET A 181 108.179 130.715 6.120 1.00 11.98 C ATOM 766 SD MET A 181 107.437 129.252 6.850 1.00 46.57 S ATOM 767 CE MET A 181 108.910 128.191 6.848 1.00 27.97 C ATOM 768 HA MET A 181 107.357 131.154 8.743 1.00 0.00 H ATOM 769 HB2 MET A 181 109.463 132.229 6.816 1.00 0.00 H ATOM 770 HB3 MET A 181 109.555 130.695 7.711 1.00 0.00 H ATOM 771 HG2 MET A 181 108.885 130.434 5.338 1.00 0.00 H ATOM 772 HG3 MET A 181 107.410 131.361 5.698 1.00 0.00 H ATOM 773 HE1 MET A 181 109.263 128.064 5.825 1.00 0.00 H ATOM 774 HE2 MET A 181 109.692 128.656 7.448 1.00 0.00 H ATOM 775 HE3 MET A 181 108.656 127.219 7.270 1.00 0.00 H ATOM 776 H MET A 181 107.268 133.373 6.783 1.00 0.00 H ATOM 777 N ILE A 182 109.069 132.004 10.402 1.00 6.84 N ATOM 778 CA ILE A 182 109.885 132.589 11.459 1.00 7.04 C ATOM 779 C ILE A 182 110.974 131.613 11.934 1.00 7.13 C ATOM 780 O ILE A 182 110.771 130.382 11.977 1.00 7.42 O ATOM 781 CB ILE A 182 109.030 133.047 12.688 1.00 4.74 C ATOM 782 CG1 ILE A 182 108.313 131.841 13.335 1.00 8.64 C ATOM 783 CG2 ILE A 182 108.062 134.138 12.247 1.00 7.31 C ATOM 784 CD1 ILE A 182 107.938 132.022 14.815 1.00 4.98 C ATOM 785 HA ILE A 182 110.356 133.470 11.022 1.00 0.00 H ATOM 786 HB ILE A 182 109.679 133.466 13.457 1.00 0.00 H ATOM 787 HG12 ILE A 182 107.397 131.652 12.775 1.00 0.00 H ATOM 788 HG13 ILE A 182 108.970 130.975 13.256 1.00 0.00 H ATOM 789 HD11 ILE A 182 108.842 132.197 15.399 1.00 0.00 H ATOM 790 HD12 ILE A 182 107.267 132.875 14.917 1.00 0.00 H ATOM 791 HD13 ILE A 182 107.440 131.122 15.175 1.00 0.00 H ATOM 792 HG21 ILE A 182 108.625 134.986 11.856 1.00 0.00 H ATOM 793 HG22 ILE A 182 107.406 133.747 11.470 1.00 0.00 H ATOM 794 HG23 ILE A 182 107.465 134.459 13.101 1.00 0.00 H ATOM 795 H ILE A 182 108.728 131.027 10.504 1.00 0.00 H ATOM 796 N PRO A 183 112.158 132.149 12.242 1.00 7.97 N ATOM 797 CA PRO A 183 113.277 131.331 12.715 1.00 8.58 C ATOM 798 C PRO A 183 113.097 130.979 14.211 1.00 8.51 C ATOM 799 O PRO A 183 113.008 131.855 15.086 1.00 6.58 O ATOM 800 CB PRO A 183 114.494 132.236 12.460 1.00 5.75 C ATOM 801 CG PRO A 183 113.946 133.610 12.724 1.00 8.38 C ATOM 802 CD PRO A 183 112.532 133.574 12.123 1.00 4.66 C ATOM 803 HA PRO A 183 113.370 130.367 12.214 1.00 0.00 H ATOM 804 HD3 PRO A 183 111.849 134.208 12.689 1.00 0.00 H ATOM 805 HD2 PRO A 183 112.541 133.892 11.080 1.00 0.00 H ATOM 806 HG3 PRO A 183 114.555 134.370 12.235 1.00 0.00 H ATOM 807 HG2 PRO A 183 113.906 133.812 13.794 1.00 0.00 H ATOM 808 HB2 PRO A 183 115.310 132.000 13.143 1.00 0.00 H ATOM 809 HB3 PRO A 183 114.845 132.143 11.432 1.00 0.00 H ATOM 810 N VAL A 184 113.044 129.683 14.487 1.00 7.29 N ATOM 811 CA VAL A 184 112.870 129.176 15.836 1.00 6.03 C ATOM 812 C VAL A 184 113.851 129.708 16.909 1.00 7.25 C ATOM 813 O VAL A 184 113.468 129.946 18.068 1.00 10.26 O ATOM 814 CB VAL A 184 112.819 127.637 15.801 1.00 8.29 C ATOM 815 CG1 VAL A 184 112.875 127.059 17.224 1.00 6.65 C ATOM 816 CG2 VAL A 184 111.547 127.194 15.052 1.00 2.00 C ATOM 817 HA VAL A 184 111.918 129.581 16.178 1.00 0.00 H ATOM 818 HB VAL A 184 113.688 127.251 15.269 1.00 0.00 H ATOM 819 HG11 VAL A 184 113.802 127.370 17.705 1.00 0.00 H ATOM 820 HG12 VAL A 184 112.025 127.427 17.798 1.00 0.00 H ATOM 821 HG13 VAL A 184 112.838 125.971 17.174 1.00 0.00 H ATOM 822 HG21 VAL A 184 110.669 127.580 15.570 1.00 0.00 H ATOM 823 HG22 VAL A 184 111.571 127.585 14.035 1.00 0.00 H ATOM 824 HG23 VAL A 184 111.504 126.105 15.023 1.00 0.00 H ATOM 825 H VAL A 184 113.131 129.002 13.705 1.00 0.00 H ATOM 826 N PRO A 185 115.134 129.871 16.560 1.00 9.27 N ATOM 827 CA PRO A 185 116.086 130.384 17.561 1.00 9.77 C ATOM 828 C PRO A 185 115.754 131.801 18.103 1.00 8.19 C ATOM 829 O PRO A 185 116.211 132.182 19.173 1.00 6.56 O ATOM 830 CB PRO A 185 117.395 130.391 16.782 1.00 7.33 C ATOM 831 CG PRO A 185 117.229 129.163 15.862 1.00 9.44 C ATOM 832 CD PRO A 185 115.837 129.408 15.344 1.00 6.71 C ATOM 833 HA PRO A 185 116.087 129.774 18.464 1.00 0.00 H ATOM 834 HD3 PRO A 185 115.832 130.173 14.568 1.00 0.00 H ATOM 835 HD2 PRO A 185 115.392 128.493 14.953 1.00 0.00 H ATOM 836 HG3 PRO A 185 117.295 128.228 16.419 1.00 0.00 H ATOM 837 HG2 PRO A 185 117.965 129.158 15.058 1.00 0.00 H ATOM 838 HB2 PRO A 185 117.506 131.308 16.203 1.00 0.00 H ATOM 839 HB3 PRO A 185 118.252 130.276 17.446 1.00 0.00 H ATOM 840 N TYR A 186 114.928 132.554 17.373 1.00 5.20 N ATOM 841 CA TYR A 186 114.568 133.920 17.751 1.00 6.67 C ATOM 842 C TYR A 186 113.342 134.014 18.652 1.00 8.61 C ATOM 843 O TYR A 186 112.900 135.122 18.997 1.00 8.42 O ATOM 844 CB TYR A 186 114.299 134.749 16.493 1.00 5.92 C ATOM 845 CG TYR A 186 115.533 135.232 15.791 1.00 8.33 C ATOM 846 CD1 TYR A 186 116.497 134.326 15.292 1.00 9.57 C ATOM 847 CD2 TYR A 186 115.788 136.607 15.680 1.00 8.30 C ATOM 848 CE1 TYR A 186 117.687 134.803 14.703 1.00 3.75 C ATOM 849 CE2 TYR A 186 116.963 137.091 15.110 1.00 5.25 C ATOM 850 CZ TYR A 186 117.904 136.188 14.635 1.00 8.28 C ATOM 851 OH TYR A 186 119.071 136.683 14.137 1.00 10.83 O ATOM 852 HA TYR A 186 115.417 134.303 18.317 1.00 0.00 H ATOM 853 HB3 TYR A 186 113.707 135.618 16.778 1.00 0.00 H ATOM 854 HB2 TYR A 186 113.729 134.135 15.796 1.00 0.00 H ATOM 855 HD2 TYR A 186 115.047 137.315 16.050 1.00 0.00 H ATOM 856 HE2 TYR A 186 117.141 138.164 15.038 1.00 0.00 H ATOM 857 HE1 TYR A 186 118.426 134.107 14.307 1.00 0.00 H ATOM 858 HD1 TYR A 186 116.320 133.253 15.363 1.00 0.00 H ATOM 859 HH TYR A 186 119.644 135.934 13.836 1.00 0.00 H ATOM 860 H TYR A 186 114.525 132.154 16.502 1.00 0.00 H ATOM 861 N VAL A 187 112.754 132.867 18.975 1.00 8.69 N ATOM 862 CA VAL A 187 111.561 132.840 19.816 1.00 8.81 C ATOM 863 C VAL A 187 111.656 131.869 20.992 1.00 9.70 C ATOM 864 O VAL A 187 112.465 130.936 20.979 1.00 9.57 O ATOM 865 CB VAL A 187 110.284 132.436 18.998 1.00 6.44 C ATOM 866 CG1 VAL A 187 110.123 133.330 17.768 1.00 10.68 C ATOM 867 CG2 VAL A 187 110.343 130.968 18.602 1.00 8.15 C ATOM 868 HA VAL A 187 111.485 133.858 20.198 1.00 0.00 H ATOM 869 HB VAL A 187 109.410 132.579 19.634 1.00 0.00 H ATOM 870 HG11 VAL A 187 110.024 134.368 18.085 1.00 0.00 H ATOM 871 HG12 VAL A 187 110.999 133.226 17.128 1.00 0.00 H ATOM 872 HG13 VAL A 187 109.231 133.031 17.217 1.00 0.00 H ATOM 873 HG21 VAL A 187 111.226 130.794 17.987 1.00 0.00 H ATOM 874 HG22 VAL A 187 110.397 130.353 19.500 1.00 0.00 H ATOM 875 HG23 VAL A 187 109.448 130.709 18.036 1.00 0.00 H ATOM 876 H VAL A 187 113.151 131.973 18.622 1.00 0.00 H ATOM 877 N GLU A 188 110.821 132.120 22.000 1.00 6.77 N ATOM 878 CA GLU A 188 110.719 131.266 23.162 1.00 9.10 C ATOM 879 C GLU A 188 109.223 130.899 23.296 1.00 11.45 C ATOM 880 O GLU A 188 108.331 131.636 22.853 1.00 7.39 O ATOM 881 CB GLU A 188 111.206 131.986 24.419 1.00 7.86 C ATOM 882 CG GLU A 188 110.320 133.139 24.871 1.00 9.45 C ATOM 883 CD GLU A 188 110.750 133.754 26.210 1.00 15.99 C ATOM 884 OE1 GLU A 188 111.681 133.228 26.855 1.00 17.18 O ATOM 885 OE2 GLU A 188 110.160 134.778 26.621 1.00 15.69 O ATOM 886 HA GLU A 188 111.342 130.378 23.049 1.00 0.00 H ATOM 887 HB2 GLU A 188 111.258 131.259 25.229 1.00 0.00 H ATOM 888 HB3 GLU A 188 112.203 132.380 24.221 1.00 0.00 H ATOM 889 HG2 GLU A 188 110.350 133.917 24.108 1.00 0.00 H ATOM 890 HG3 GLU A 188 109.299 132.771 24.972 1.00 0.00 H ATOM 891 H GLU A 188 110.218 132.965 21.948 1.00 0.00 H ATOM 892 N LYS A 189 108.949 129.731 23.854 1.00 10.80 N ATOM 893 CA LYS A 189 107.575 129.327 24.056 1.00 13.76 C ATOM 894 C LYS A 189 106.889 130.329 24.993 1.00 16.14 C ATOM 895 O LYS A 189 107.519 130.924 25.881 1.00 13.76 O ATOM 896 CB LYS A 189 107.528 127.951 24.718 1.00 19.15 C ATOM 897 CG LYS A 189 108.186 126.873 23.936 1.00 21.65 C ATOM 898 CD LYS A 189 107.977 125.527 24.592 1.00 31.40 C ATOM 899 CE LYS A 189 108.723 124.470 23.803 1.00 36.17 C ATOM 900 NZ LYS A 189 108.402 123.070 24.182 1.00 43.34 N ATOM 901 HA LYS A 189 107.071 129.293 23.090 1.00 0.00 H ATOM 902 HB2 LYS A 189 108.023 128.021 25.687 1.00 0.00 H ATOM 903 HB3 LYS A 189 106.483 127.678 24.864 1.00 0.00 H ATOM 904 HG2 LYS A 189 107.763 126.851 22.932 1.00 0.00 H ATOM 905 HG3 LYS A 189 109.255 127.078 23.874 1.00 0.00 H ATOM 906 HD2 LYS A 189 108.356 125.556 25.614 1.00 0.00 H ATOM 907 HD3 LYS A 189 106.913 125.289 24.607 1.00 0.00 H ATOM 908 HE2 LYS A 189 109.791 124.626 23.952 1.00 0.00 H ATOM 909 HE3 LYS A 189 108.482 124.600 22.748 1.00 0.00 H ATOM 910 HZ1 LYS A 189 108.638 122.921 25.184 1.00 0.00 H ATOM 911 HZ2 LYS A 189 107.387 122.896 24.034 1.00 0.00 H ATOM 912 HZ3 LYS A 189 108.957 122.417 23.593 1.00 0.00 H ATOM 913 H LYS A 189 109.723 129.102 24.148 1.00 0.00 H ATOM 914 N TYR A 190 105.593 130.511 24.796 1.00 13.86 N ATOM 915 CA TYR A 190 104.825 131.404 25.639 1.00 17.53 C ATOM 916 C TYR A 190 103.760 130.550 26.353 1.00 18.98 C ATOM 917 CB TYR A 190 104.182 132.504 24.780 1.00 22.54 C ATOM 918 CG TYR A 190 103.225 133.413 25.516 1.00 26.23 C ATOM 919 CD1 TYR A 190 101.891 133.051 25.693 1.00 24.45 C ATOM 920 CD2 TYR A 190 103.653 134.642 26.031 1.00 29.39 C ATOM 921 CE1 TYR A 190 101.008 133.889 26.360 1.00 30.07 C ATOM 922 CE2 TYR A 190 102.776 135.492 26.703 1.00 28.99 C ATOM 923 CZ TYR A 190 101.456 135.107 26.863 1.00 34.03 C ATOM 924 OH TYR A 190 100.580 135.934 27.531 1.00 39.64 O ATOM 925 HA TYR A 190 105.456 131.900 26.377 1.00 0.00 H ATOM 926 HB3 TYR A 190 103.636 132.023 23.969 1.00 0.00 H ATOM 927 HB2 TYR A 190 104.980 133.119 24.364 1.00 0.00 H ATOM 928 HD2 TYR A 190 104.694 134.941 25.904 1.00 0.00 H ATOM 929 HE2 TYR A 190 103.125 136.447 27.097 1.00 0.00 H ATOM 930 HE1 TYR A 190 99.967 133.594 26.489 1.00 0.00 H ATOM 931 HD1 TYR A 190 101.536 132.097 25.303 1.00 0.00 H ATOM 932 HH TYR A 190 99.685 135.513 27.556 1.00 0.00 H ATOM 933 H TYR A 190 105.118 130.004 24.022 1.00 0.00 H TER 934 TYR A 190 HETATM 935 O HOH 1 111.717 139.685 24.767 1.00 12.19 O HETATM 936 O HOH 2 97.566 128.541 12.735 1.00 5.99 O HETATM 937 O HOH 3 119.858 129.754 4.680 1.00 28.10 O HETATM 938 O HOH 4 105.232 128.432 22.823 1.00 14.16 O HETATM 939 O HOH 5 117.918 141.056 23.202 1.00 5.33 O HETATM 940 O HOH 6 106.738 143.537 10.958 1.00 19.76 O HETATM 941 O HOH 7 111.327 134.403 0.095 1.00 22.79 O HETATM 942 O HOH 8 113.465 124.399 16.770 1.00 25.92 O HETATM 943 O HOH 9 103.292 140.680 17.027 1.00 10.26 O HETATM 944 O HOH 10 105.730 141.642 13.127 1.00 19.88 O HETATM 945 O HOH 11 96.705 141.436 7.869 1.00 19.92 O HETATM 946 O HOH 12 97.528 126.180 17.375 1.00 14.78 O HETATM 947 O HOH 13 94.406 134.259 12.785 1.00 10.65 O HETATM 948 O HOH 14 114.310 120.721 10.052 1.00 37.33 O HETATM 949 O HOH 15 114.094 141.152 -0.937 1.00 26.28 O HETATM 950 O HOH 16 117.639 143.039 19.168 1.00 12.49 O HETATM 951 O HOH 17 117.708 141.205 11.587 1.00 18.78 O HETATM 952 O HOH 18 117.869 134.182 5.951 1.00 16.73 O HETATM 953 O HOH 19 96.578 135.116 16.645 1.00 53.63 O HETATM 954 O HOH 20 119.668 131.891 6.651 1.00 15.10 O HETATM 955 O HOH 21 106.490 127.515 20.764 1.00 10.71 O HETATM 956 O HOH 22 106.743 141.403 25.353 1.00 22.19 O HETATM 957 O HOH 23 111.219 148.503 23.125 1.00 12.39 O HETATM 958 O HOH 24 108.210 125.290 21.112 1.00 16.52 O HETATM 959 O HOH 25 122.368 135.243 4.934 1.00 35.62 O HETATM 960 O HOH 26 101.688 129.796 23.794 1.00 14.53 O HETATM 961 O HOH 27 111.570 122.998 19.127 1.00 19.69 O HETATM 962 O HOH 28 101.352 134.733 3.393 1.00 37.72 O HETATM 963 O HOH 29 118.093 132.395 21.450 1.00 30.28 O HETATM 964 O HOH 30 114.426 129.369 20.460 1.00 13.57 O HETATM 965 O HOH 31 105.766 133.386 4.337 1.00 32.65 O HETATM 966 O HOH 32 94.817 126.005 18.255 1.00 21.82 O HETATM 967 O HOH 33 118.958 142.782 21.614 1.00 24.02 O HETATM 968 O HOH 34 112.963 136.921 -1.435 1.00 11.50 O HETATM 969 O HOH 35 111.533 140.185 4.615 1.00 32.95 O HETATM 970 O HOH 36 108.378 145.071 12.569 1.00 17.50 O HETATM 971 O HOH 37 113.789 138.917 26.474 1.00 17.09 O HETATM 972 O HOH 38 109.076 125.947 4.249 1.00 27.30 O HETATM 973 O HOH 39 116.169 138.943 24.962 1.00 17.30 O HETATM 974 O HOH 40 107.443 144.682 8.354 1.00 22.74 O HETATM 975 O HOH 41 112.492 145.771 9.760 1.00 35.95 O HETATM 976 O HOH 42 98.861 128.647 17.379 1.00 15.20 O HETATM 977 O HOH 43 108.369 123.182 19.654 1.00 12.39 O HETATM 978 O HOH 44 115.648 124.158 10.018 1.00 15.03 O HETATM 979 O HOH 45 113.433 146.803 19.486 1.00 20.37 O HETATM 980 O HOH 46 102.400 126.975 23.506 1.00 30.49 O HETATM 981 O HOH 47 110.745 145.039 11.868 1.00 22.59 O HETATM 982 O HOH 48 97.764 148.191 13.142 1.00 30.60 O HETATM 983 O HOH 49 113.060 144.268 12.719 1.00 21.64 O HETATM 984 O HOH 50 97.420 146.421 8.215 1.00 34.93 O HETATM 985 O HOH 51 103.488 142.056 25.613 1.00 41.82 O HETATM 986 O HOH 52 99.406 131.937 4.265 1.00 24.42 O HETATM 987 O HOH 53 98.717 140.976 6.204 1.00 28.63 O HETATM 988 O HOH 54 115.452 135.585 27.548 1.00 28.14 O HETATM 989 O HOH 55 111.581 128.714 25.070 1.00 25.81 O HETATM 990 O HOH 56 102.820 124.445 14.467 1.00 22.04 O HETATM 991 O HOH 57 97.782 125.073 21.284 1.00 40.63 O HETATM 992 O HOH 58 96.898 133.844 10.034 1.00 31.35 O HETATM 993 O HOH 59 105.518 140.193 27.318 1.00 58.58 O HETATM 994 O HOH 60 96.859 138.442 14.488 1.00 47.06 O HETATM 995 O HOH 61 101.621 123.253 18.174 1.00 28.96 O HETATM 996 O HOH 62 110.111 128.251 20.980 1.00 22.93 O HETATM 997 O HOH 63 112.292 127.175 21.382 1.00 48.19 O HETATM 998 O HOH 64 119.342 143.461 17.430 1.00 35.24 O HETATM 999 O HOH 65 100.650 129.073 5.428 1.00 25.59 O HETATM 1000 O HOH 66 95.760 144.389 11.023 1.00 32.42 O HETATM 1001 O HOH 67 121.320 130.302 15.802 1.00 27.69 O HETATM 1002 O HOH 68 118.334 124.830 9.927 1.00 20.91 O HETATM 1003 N PRO A 69 122.074 139.066 17.857 1.00 0.25 N HETATM 1004 CA PRO A 69 121.006 138.068 17.828 1.00 0.07 C HETATM 1005 C PRO A 69 121.607 136.739 17.450 1.00 0.23 C HETATM 1006 O PRO A 69 122.737 136.669 16.981 1.00 -0.39 O HETATM 1007 N PRO A 69 120.847 135.659 17.631 1.00 -0.25 N HETATM 1008 CA PRO A 69 121.386 134.350 17.282 1.00 0.13 C HETATM 1009 C PRO A 69 121.531 134.108 15.771 1.00 0.21 C HETATM 1010 O PRO A 69 121.060 134.902 14.943 1.00 -0.39 O HETATM 1011 N PRO A 69 122.308 133.078 15.394 1.00 -0.25 N HETATM 1012 CA PRO A 69 122.458 132.806 13.964 1.00 0.13 C HETATM 1013 C PRO A 69 121.098 132.407 13.390 1.00 0.20 C HETATM 1014 O PRO A 69 120.298 131.746 14.060 1.00 -0.39 O HETATM 1015 N PRO A 69 120.786 132.924 12.213 1.00 -0.26 N HETATM 1016 CA PRO A 69 119.526 132.587 11.583 1.00 0.13 C HETATM 1017 C PRO A 69 119.834 131.248 10.946 1.00 0.21 C HETATM 1018 O PRO A 69 120.745 131.141 10.114 1.00 -0.39 O HETATM 1019 N PRO A 69 119.080 130.203 11.332 1.00 -0.25 N HETATM 1020 CA PRO A 69 119.272 128.840 10.811 1.00 0.13 C HETATM 1021 C PRO A 69 119.065 128.675 9.310 1.00 0.21 C HETATM 1022 O PRO A 69 118.280 129.389 8.697 1.00 -0.39 O HETATM 1023 N PRO A 69 119.776 127.719 8.697 1.00 -0.25 N HETATM 1024 CA PRO A 69 119.584 127.529 7.261 1.00 0.13 C HETATM 1025 C PRO A 69 118.176 126.950 7.021 1.00 0.20 C HETATM 1026 O PRO A 69 117.548 126.402 7.947 1.00 -0.39 O HETATM 1027 N PRO A 69 117.691 127.090 5.792 1.00 -0.26 N HETATM 1028 CA PRO A 69 116.396 126.558 5.388 1.00 0.13 C HETATM 1029 C PRO A 69 116.679 125.220 4.702 1.00 0.20 C HETATM 1030 O PRO A 69 117.802 124.962 4.265 1.00 -0.39 O HETATM 1031 N PRO A 69 115.673 124.360 4.599 1.00 -0.28 N HETATM 1032 CA PRO A 69 115.862 123.066 3.946 1.00 0.04 C HETATM 1033 C PRO A 69 114.742 122.747 2.959 1.00 -0.04 C HETATM 1034 H62 PRO A 69 114.930 121.767 2.496 1.00 0.03 H HETATM 1035 H63 PRO A 69 114.710 123.521 2.178 1.00 0.03 H HETATM 1036 H64 PRO A 69 113.780 122.723 3.491 1.00 0.03 H HETATM 1037 CB PRO A 69 115.994 121.965 4.985 1.00 -0.04 C HETATM 1038 H65 PRO A 69 116.135 120.999 4.479 1.00 0.03 H HETATM 1039 H66 PRO A 69 115.081 121.928 5.598 1.00 0.03 H HETATM 1040 H67 PRO A 69 116.861 122.171 5.630 1.00 0.03 H HETATM 1041 H61 PRO A 69 116.803 123.112 3.378 1.00 0.06 H HETATM 1042 H60 PRO A 69 114.777 124.600 4.972 1.00 0.19 H HETATM 1043 CB PRO A 69 115.731 127.507 4.395 1.00 -0.01 C HETATM 1044 CG PRO A 69 116.113 128.972 4.608 1.00 -0.02 C HETATM 1045 CD PRO A 69 115.327 129.917 3.712 1.00 0.06 C HETATM 1046 NE PRO A 69 114.150 130.432 4.400 1.00 -0.27 N HETATM 1047 CZ PRO A 69 113.971 131.708 4.734 1.00 0.29 C HETATM 1048 NH1 PRO A 69 114.868 132.646 4.446 1.00 -0.28 N HETATM 1049 H56 PRO A 69 114.697 133.624 4.720 1.00 0.26 H HETATM 1050 H57 PRO A 69 115.734 132.395 3.949 1.00 0.26 H HETATM 1051 NH2 PRO A 69 112.932 132.033 5.460 1.00 -0.28 N HETATM 1052 H58 PRO A 69 112.225 131.322 5.695 1.00 0.26 H HETATM 1053 H59 PRO A 69 112.821 133.000 5.797 1.00 0.26 H HETATM 1054 H55 PRO A 69 113.406 129.763 4.644 1.00 0.26 H HETATM 1055 H53 PRO A 69 115.008 129.375 2.810 1.00 0.07 H HETATM 1056 H54 PRO A 69 115.973 130.760 3.424 1.00 0.07 H HETATM 1057 H51 PRO A 69 117.185 129.092 4.392 1.00 0.03 H HETATM 1058 H52 PRO A 69 115.918 129.238 5.657 1.00 0.03 H HETATM 1059 H49 PRO A 69 114.640 127.412 4.499 1.00 0.03 H HETATM 1060 H50 PRO A 69 116.029 127.213 3.378 1.00 0.03 H HETATM 1061 H48 PRO A 69 115.746 126.416 6.264 1.00 0.08 H HETATM 1062 H47 PRO A 69 118.238 127.582 5.115 1.00 0.19 H HETATM 1063 CB PRO A 69 120.684 126.492 6.908 1.00 -0.01 C HETATM 1064 CG PRO A 69 120.803 125.678 8.180 1.00 -0.03 C HETATM 1065 CD PRO A 69 120.777 126.768 9.237 1.00 0.04 C HETATM 1066 H45 PRO A 69 120.460 126.368 10.211 1.00 0.05 H HETATM 1067 H46 PRO A 69 121.763 127.245 9.340 1.00 0.05 H HETATM 1068 H43 PRO A 69 121.746 125.112 8.209 1.00 0.03 H HETATM 1069 H44 PRO A 69 119.956 124.986 8.295 1.00 0.03 H HETATM 1070 H41 PRO A 69 121.635 126.990 6.667 1.00 0.03 H HETATM 1071 H42 PRO A 69 120.376 125.861 6.062 1.00 0.03 H HETATM 1072 H40 PRO A 69 119.714 128.465 6.698 1.00 0.08 H HETATM 1073 CB PRO A 69 118.243 128.027 11.594 1.00 -0.01 C HETATM 1074 CG PRO A 69 117.119 129.021 11.795 1.00 -0.03 C HETATM 1075 CD PRO A 69 117.876 130.283 12.186 1.00 0.04 C HETATM 1076 H38 PRO A 69 117.288 131.186 11.963 1.00 0.05 H HETATM 1077 H39 PRO A 69 118.143 130.273 13.253 1.00 0.05 H HETATM 1078 H36 PRO A 69 116.439 128.698 12.597 1.00 0.03 H HETATM 1079 H37 PRO A 69 116.547 129.170 10.867 1.00 0.03 H HETATM 1080 H34 PRO A 69 118.653 127.691 12.558 1.00 0.03 H HETATM 1081 H35 PRO A 69 117.903 127.155 11.016 1.00 0.03 H HETATM 1082 H33 PRO A 69 120.290 128.499 11.050 1.00 0.08 H HETATM 1083 CB PRO A 69 119.083 133.618 10.514 1.00 -0.01 C HETATM 1084 CG1 PRO A 69 117.751 133.211 9.938 1.00 -0.06 C HETATM 1085 H27 PRO A 69 117.440 133.945 9.180 1.00 0.02 H HETATM 1086 H28 PRO A 69 117.000 133.173 10.741 1.00 0.02 H HETATM 1087 H29 PRO A 69 117.841 132.218 9.473 1.00 0.02 H HETATM 1088 CG2 PRO A 69 118.925 134.982 11.121 1.00 -0.06 C HETATM 1089 H30 PRO A 69 119.885 135.306 11.550 1.00 0.02 H HETATM 1090 H31 PRO A 69 118.163 134.945 11.913 1.00 0.02 H HETATM 1091 H32 PRO A 69 118.612 135.695 10.344 1.00 0.02 H HETATM 1092 H26 PRO A 69 119.838 133.656 9.715 1.00 0.03 H HETATM 1093 H25 PRO A 69 118.731 132.492 12.337 1.00 0.08 H HETATM 1094 H24 PRO A 69 121.421 133.548 11.758 1.00 0.19 H HETATM 1095 CB PRO A 69 123.468 131.645 13.926 1.00 -0.01 C HETATM 1096 CG PRO A 69 123.426 131.057 15.272 1.00 -0.03 C HETATM 1097 CD PRO A 69 123.198 132.220 16.196 1.00 0.04 C HETATM 1098 H22 PRO A 69 122.711 131.900 17.129 1.00 0.05 H HETATM 1099 H23 PRO A 69 124.142 132.733 16.433 1.00 0.05 H HETATM 1100 H20 PRO A 69 124.378 130.558 15.506 1.00 0.03 H HETATM 1101 H21 PRO A 69 122.603 130.332 15.352 1.00 0.03 H HETATM 1102 H18 PRO A 69 124.477 132.018 13.699 1.00 0.03 H HETATM 1103 H19 PRO A 69 123.174 130.902 13.171 1.00 0.03 H HETATM 1104 H17 PRO A 69 122.847 133.682 13.425 1.00 0.08 H HETATM 1105 CB PRO A 69 120.398 133.391 17.956 1.00 -0.01 C HETATM 1106 CG PRO A 69 119.126 134.179 18.070 1.00 -0.03 C HETATM 1107 CD PRO A 69 119.584 135.551 18.379 1.00 0.04 C HETATM 1108 H15 PRO A 69 118.855 136.298 18.032 1.00 0.05 H HETATM 1109 H16 PRO A 69 119.753 135.677 19.459 1.00 0.05 H HETATM 1110 H13 PRO A 69 118.493 133.786 18.880 1.00 0.03 H HETATM 1111 H14 PRO A 69 118.566 134.157 17.123 1.00 0.03 H HETATM 1112 H11 PRO A 69 120.762 133.094 18.951 1.00 0.03 H HETATM 1113 H12 PRO A 69 120.245 132.494 17.339 1.00 0.03 H HETATM 1114 H10 PRO A 69 122.383 134.232 17.732 1.00 0.08 H HETATM 1115 CB PRO A 69 120.090 138.573 16.703 1.00 0.01 C HETATM 1116 CG PRO A 69 120.369 139.999 16.630 1.00 -0.01 C HETATM 1117 CD PRO A 69 121.859 140.063 16.800 1.00 -0.03 C HETATM 1118 H8 PRO A 69 122.382 139.785 15.873 1.00 0.08 H HETATM 1119 H9 PRO A 69 122.185 141.064 17.119 1.00 0.08 H HETATM 1120 H6 PRO A 69 119.856 140.544 17.436 1.00 0.03 H HETATM 1121 H7 PRO A 69 120.064 140.412 15.657 1.00 0.03 H HETATM 1122 H4 PRO A 69 119.033 138.394 16.950 1.00 0.03 H HETATM 1123 H5 PRO A 69 120.332 138.079 15.751 1.00 0.03 H HETATM 1124 H3 PRO A 69 120.475 137.998 18.789 1.00 0.11 H HETATM 1125 H1 PRO A 69 122.961 138.610 17.710 1.00 0.20 H HETATM 1126 H2 PRO A 69 122.077 139.526 18.754 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1003 1004 1117 1125 1126 CONECT 1004 1003 1005 1115 1124 CONECT 1005 1004 1006 1007 CONECT 1006 1005 CONECT 1007 1005 1008 1107 CONECT 1008 1007 1009 1105 1114 CONECT 1009 1008 1010 1011 CONECT 1010 1009 CONECT 1011 1009 1012 1097 CONECT 1012 1011 1013 1095 1104 CONECT 1013 1012 1014 1015 CONECT 1014 1013 CONECT 1015 1013 1016 1094 CONECT 1016 1015 1017 1083 1093 CONECT 1017 1016 1018 1019 CONECT 1018 1017 CONECT 1019 1017 1020 1075 CONECT 1020 1019 1021 1073 1082 CONECT 1021 1020 1022 1023 CONECT 1022 1021 CONECT 1023 1021 1024 1065 CONECT 1024 1023 1025 1063 1072 CONECT 1025 1024 1026 1027 CONECT 1026 1025 CONECT 1027 1025 1028 1062 CONECT 1028 1027 1029 1043 1061 CONECT 1029 1028 1030 1031 CONECT 1030 1029 CONECT 1031 1029 1032 1042 CONECT 1032 1031 1033 1037 1041 CONECT 1033 1032 1034 1035 1036 CONECT 1034 1033 CONECT 1035 1033 CONECT 1036 1033 CONECT 1037 1032 1038 1039 1040 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1037 CONECT 1041 1032 CONECT 1042 1031 CONECT 1043 1028 1044 1059 1060 CONECT 1044 1043 1045 1057 1058 CONECT 1045 1044 1046 1055 1056 CONECT 1046 1045 1047 1054 CONECT 1047 1046 1048 1051 CONECT 1048 1047 1049 1050 CONECT 1049 1048 CONECT 1050 1048 CONECT 1051 1047 1052 1053 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1046 CONECT 1055 1045 CONECT 1056 1045 CONECT 1057 1044 CONECT 1058 1044 CONECT 1059 1043 CONECT 1060 1043 CONECT 1061 1028 CONECT 1062 1027 CONECT 1063 1024 1064 1070 1071 CONECT 1064 1063 1065 1068 1069 CONECT 1065 1023 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 CONECT 1068 1064 CONECT 1069 1064 CONECT 1070 1063 CONECT 1071 1063 CONECT 1072 1024 CONECT 1073 1020 1074 1080 1081 CONECT 1074 1073 1075 1078 1079 CONECT 1075 1019 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 CONECT 1078 1074 CONECT 1079 1074 CONECT 1080 1073 CONECT 1081 1073 CONECT 1082 1020 CONECT 1083 1016 1084 1088 1092 CONECT 1084 1083 1085 1086 1087 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1084 CONECT 1088 1083 1089 1090 1091 CONECT 1089 1088 CONECT 1090 1088 CONECT 1091 1088 CONECT 1092 1083 CONECT 1093 1016 CONECT 1094 1015 CONECT 1095 1012 1096 1102 1103 CONECT 1096 1095 1097 1100 1101 CONECT 1097 1011 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 CONECT 1100 1096 CONECT 1101 1096 CONECT 1102 1095 CONECT 1103 1095 CONECT 1104 1012 CONECT 1105 1008 1106 1112 1113 CONECT 1106 1105 1107 1110 1111 CONECT 1107 1007 1106 1108 1109 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1106 CONECT 1111 1106 CONECT 1112 1105 CONECT 1113 1105 CONECT 1114 1008 CONECT 1115 1004 1116 1122 1123 CONECT 1116 1115 1117 1120 1121 CONECT 1117 1003 1116 1118 1119 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1116 CONECT 1121 1116 CONECT 1122 1115 CONECT 1123 1115 CONECT 1124 1004 CONECT 1125 1003 CONECT 1126 1003 MASTER 0 0 0 0 0 0 0 0 1125 1 128 5 END
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Entry Information
PDB ID
1ckb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-crksh3-n
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=5.2uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Structure v3 pp. 215-26, 1995
Ligand Properties
Formula
C
3
9
H
6
7
N
1
1
O
7
Molecular Weight
802.019
Exact Mass
801.522
No. of atoms
124
No. of bonds
128
Polar Surface Area
251.16
LOGP Value
2.03 (
Computed with XLOGP3
)
-0.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 5
Canonical SMILES
CC(NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C39H65N11O7/c1-23(2)31(46-34(53)28-14-8-20-48(28)36(55)29-15-9-21-49(29)35(54)26-12-6-17-42-26)38(57)50-22-10-16-30(50)37(56)47-19-7-13-27(47)33(52)45-25(32(51)44-24(3)4)11-5-18-43-39(40)41/h23-31,42H,5-22H2,1-4H3,(H,44,51)(H,45,52)(H,46,53)(H4,40,41,43)/p+2/t25-,26-,27-,28-,29-,30-,31-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q64010
Entrez Gene ID
NCBI Entrez Gene ID:
12928
ASD
Information of known allosteric effects of PDB entries
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