Browse entries in the PDBbind-CN Database
HEADER 5GGK_COMPLEX COMPND 5GGK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 153 ARG VAL LEU ASP VAL GLU VAL TYR SER SER ARG SER LYS SEQRES 2 A 153 VAL TYR VAL ALA VAL ASP GLY THR THR VAL LEU GLU ASP SEQRES 3 A 153 GLU ALA ARG GLU GLN GLY ARG GLY ILE HIS VAL ILE VAL SEQRES 4 A 153 LEU ASN GLN ALA THR GLY HIS VAL MET ALA LYS ARG VAL SEQRES 5 A 153 PHE ASP THR TYR SER PRO HIS GLU ASP GLU ALA MET VAL SEQRES 6 A 153 LEU PHE LEU ASN MET VAL ALA PRO GLY ARG VAL LEU ILE SEQRES 7 A 153 CYS THR VAL LYS ASP GLU GLY SER PHE HIS LEU LYS ASP SEQRES 8 A 153 THR ALA LYS ALA LEU LEU ARG SER LEU GLY SER GLN ALA SEQRES 9 A 153 GLY PRO ALA LEU GLY TRP ARG ASP THR TRP ALA PHE VAL SEQRES 10 A 153 GLY ARG LYS GLY GLY PRO VAL PHE GLY GLU LYS HIS SER SEQRES 11 A 153 LYS SER PRO ALA LEU SER SER TRP GLY ASP PRO VAL LEU SEQRES 12 A 153 LEU LYS THR ASP VAL PRO LEU SER SER ALA HET MBE A 382 36 ATOM 1 N ARG A 97 -6.434 -23.876 26.373 1.00 28.32 N ATOM 2 CA ARG A 97 -6.393 -25.218 25.819 1.00 22.54 C ATOM 3 C ARG A 97 -6.588 -25.223 24.302 1.00 15.33 C ATOM 4 O ARG A 97 -5.691 -24.844 23.546 1.00 11.78 O ATOM 5 CB ARG A 97 -7.436 -26.107 26.500 1.00 28.12 C ATOM 6 CG ARG A 97 -8.658 -25.357 27.000 1.00 31.77 C ATOM 7 CD ARG A 97 -9.902 -25.860 26.299 1.00 34.96 C ATOM 8 NE ARG A 97 -10.886 -26.416 27.220 1.00 38.10 N ATOM 9 CZ ARG A 97 -11.782 -27.339 26.886 1.00 40.96 C ATOM 10 NH1 ARG A 97 -11.815 -27.822 25.650 1.00 42.31 N ATOM 11 NH2 ARG A 97 -12.644 -27.785 27.786 1.00 41.75 N ATOM 12 HE ARG A 97 -10.887 -26.068 28.200 1.00 0.00 H ATOM 13 HH12 ARG A 97 -12.518 -28.544 25.393 1.00 0.00 H ATOM 14 HH11 ARG A 97 -11.138 -27.478 24.939 1.00 0.00 H ATOM 15 HH22 ARG A 97 -13.344 -28.507 27.522 1.00 0.00 H ATOM 16 HH21 ARG A 97 -12.621 -27.413 28.757 1.00 0.00 H ATOM 17 HN3 ARG A 97 -7.357 -23.444 26.164 1.00 0.00 H ATOM 18 HN2 ARG A 97 -5.677 -23.303 25.948 1.00 0.00 H ATOM 19 HN1 ARG A 97 -6.297 -23.923 27.403 1.00 0.00 H ATOM 20 N VAL A 98 -7.767 -25.667 23.865 1.00 15.68 N ATOM 21 CA VAL A 98 -8.112 -25.751 22.452 1.00 14.61 C ATOM 22 C VAL A 98 -9.578 -25.413 22.278 1.00 13.67 C ATOM 23 O VAL A 98 -10.379 -25.529 23.207 1.00 14.74 O ATOM 24 CB VAL A 98 -7.883 -27.161 21.851 1.00 20.57 C ATOM 25 CG1 VAL A 98 -6.446 -27.426 21.645 1.00 24.14 C ATOM 26 CG2 VAL A 98 -8.557 -28.236 22.737 1.00 22.59 C ATOM 27 H VAL A 98 -8.474 -25.968 24.566 1.00 0.00 H ATOM 28 N LEU A 99 -9.916 -25.020 21.052 1.00 13.69 N ATOM 29 CA LEU A 99 -11.290 -24.906 20.589 1.00 13.78 C ATOM 30 C LEU A 99 -11.536 -25.967 19.529 1.00 13.95 C ATOM 31 O LEU A 99 -10.713 -26.145 18.628 1.00 16.37 O ATOM 32 CB LEU A 99 -11.507 -23.568 19.886 1.00 17.05 C ATOM 33 CG LEU A 99 -11.370 -22.279 20.672 1.00 19.49 C ATOM 34 CD1 LEU A 99 -11.490 -21.102 19.692 1.00 19.76 C ATOM 35 CD2 LEU A 99 -12.440 -22.193 21.753 1.00 20.06 C ATOM 36 H LEU A 99 -9.153 -24.781 20.387 1.00 0.00 H ATOM 37 N ASP A 100 -12.679 -26.643 19.621 1.00 13.74 N ATOM 38 CA ASP A 100 -13.114 -27.604 18.608 1.00 14.54 C ATOM 39 C ASP A 100 -13.944 -26.830 17.588 1.00 15.23 C ATOM 40 O ASP A 100 -15.076 -26.438 17.866 1.00 17.53 O ATOM 41 CB ASP A 100 -13.914 -28.713 19.303 1.00 18.88 C ATOM 42 CG ASP A 100 -14.687 -29.619 18.343 1.00 26.49 C ATOM 43 OD1 ASP A 100 -14.356 -29.701 17.148 1.00 28.57 O ATOM 44 OD2 ASP A 100 -15.634 -30.293 18.817 1.00 29.82 O ATOM 45 H ASP A 100 -13.288 -26.481 20.448 1.00 0.00 H ATOM 46 N VAL A 101 -13.380 -26.574 16.415 1.00 14.16 N ATOM 47 CA VAL A 101 -14.031 -25.737 15.409 1.00 13.00 C ATOM 48 C VAL A 101 -14.493 -26.602 14.239 1.00 13.35 C ATOM 49 O VAL A 101 -13.717 -27.406 13.699 1.00 16.27 O ATOM 50 CB VAL A 101 -13.112 -24.590 14.944 1.00 14.16 C ATOM 51 CG1 VAL A 101 -13.789 -23.757 13.843 1.00 15.09 C ATOM 52 CG2 VAL A 101 -12.729 -23.707 16.135 1.00 14.77 C ATOM 53 H VAL A 101 -12.446 -26.981 16.205 1.00 0.00 H ATOM 54 N GLU A 102 -15.757 -26.438 13.848 1.00 12.49 N ATOM 55 CA GLU A 102 -16.312 -27.107 12.679 1.00 14.16 C ATOM 56 C GLU A 102 -16.760 -26.048 11.682 1.00 11.90 C ATOM 57 O GLU A 102 -17.477 -25.113 12.050 1.00 14.27 O ATOM 58 CB GLU A 102 -17.526 -27.943 13.068 1.00 19.73 C ATOM 59 CG GLU A 102 -17.155 -29.292 13.619 1.00 26.99 C ATOM 60 CD GLU A 102 -18.353 -30.214 13.800 1.00 30.79 C ATOM 61 OE1 GLU A 102 -19.447 -29.931 13.252 1.00 32.98 O ATOM 62 OE2 GLU A 102 -18.176 -31.245 14.476 1.00 36.34 O ATOM 63 H GLU A 102 -16.372 -25.807 14.400 1.00 0.00 H ATOM 64 N VAL A 103 -16.377 -26.207 10.417 1.00 12.30 N ATOM 65 CA VAL A 103 -16.699 -25.224 9.383 1.00 11.77 C ATOM 66 C VAL A 103 -17.252 -25.977 8.181 1.00 12.75 C ATOM 67 O VAL A 103 -16.595 -26.881 7.657 1.00 14.76 O ATOM 68 CB VAL A 103 -15.459 -24.404 8.974 1.00 12.47 C ATOM 69 CG1 VAL A 103 -15.853 -23.307 7.985 1.00 13.15 C ATOM 70 CG2 VAL A 103 -14.777 -23.808 10.193 1.00 13.17 C ATOM 71 H VAL A 103 -15.833 -27.054 10.157 1.00 0.00 H ATOM 72 N TYR A 104 -18.447 -25.602 7.730 1.00 13.27 N ATOM 73 CA TYR A 104 -19.114 -26.290 6.632 1.00 12.48 C ATOM 74 C TYR A 104 -19.385 -25.309 5.499 1.00 12.16 C ATOM 75 O TYR A 104 -19.955 -24.237 5.731 1.00 12.22 O ATOM 76 CB TYR A 104 -20.427 -26.877 7.141 1.00 13.60 C ATOM 77 CG TYR A 104 -21.224 -27.701 6.143 1.00 13.98 C ATOM 78 CD1 TYR A 104 -20.959 -29.054 5.968 1.00 16.86 C ATOM 79 CD2 TYR A 104 -22.264 -27.140 5.410 1.00 16.08 C ATOM 80 CE1 TYR A 104 -21.701 -29.832 5.068 1.00 17.80 C ATOM 81 CE2 TYR A 104 -23.015 -27.902 4.519 1.00 16.70 C ATOM 82 CZ TYR A 104 -22.726 -29.245 4.347 1.00 17.31 C ATOM 83 OH TYR A 104 -23.475 -30.009 3.474 1.00 19.93 O ATOM 84 HH TYR A 104 -23.134 -30.938 3.475 1.00 0.00 H ATOM 85 H TYR A 104 -18.921 -24.791 8.176 1.00 0.00 H ATOM 86 N SER A 105 -19.034 -25.711 4.272 1.00 13.11 N ATOM 87 CA SER A 105 -19.227 -24.914 3.066 1.00 12.02 C ATOM 88 C SER A 105 -19.934 -25.768 2.021 1.00 12.88 C ATOM 89 O SER A 105 -19.535 -26.914 1.789 1.00 14.56 O ATOM 90 CB SER A 105 -17.859 -24.468 2.517 1.00 11.86 C ATOM 91 OG SER A 105 -17.979 -23.824 1.249 1.00 12.46 O ATOM 92 HG SER A 105 -18.553 -23.023 1.340 1.00 0.00 H ATOM 93 H SER A 105 -18.597 -26.649 4.172 1.00 0.00 H ATOM 94 N SER A 106 -20.953 -25.212 1.360 1.00 13.88 N ATOM 95 CA SER A 106 -21.685 -25.984 0.354 1.00 13.52 C ATOM 96 C SER A 106 -22.502 -25.043 -0.525 1.00 15.36 C ATOM 97 O SER A 106 -22.593 -23.841 -0.271 1.00 15.33 O ATOM 98 CB SER A 106 -22.600 -27.038 1.016 1.00 14.10 C ATOM 99 OG SER A 106 -23.740 -26.420 1.585 1.00 15.42 O ATOM 100 HG SER A 106 -23.452 -25.767 2.272 1.00 0.00 H ATOM 101 H SER A 106 -21.227 -24.229 1.560 1.00 0.00 H ATOM 102 N ARG A 107 -23.120 -25.629 -1.556 1.00 14.33 N ATOM 103 CA ARG A 107 -23.989 -24.885 -2.457 1.00 15.19 C ATOM 104 C ARG A 107 -25.075 -24.128 -1.698 1.00 14.91 C ATOM 105 O ARG A 107 -25.337 -22.950 -1.979 1.00 15.87 O ATOM 106 CB ARG A 107 -24.630 -25.856 -3.449 1.00 15.70 C ATOM 107 CG ARG A 107 -25.768 -25.255 -4.236 1.00 18.05 C ATOM 108 CD ARG A 107 -26.430 -26.330 -5.082 1.00 20.17 C ATOM 109 NE ARG A 107 -27.506 -25.794 -5.908 1.00 23.56 N ATOM 110 CZ ARG A 107 -28.156 -26.516 -6.814 1.00 26.28 C ATOM 111 NH1 ARG A 107 -27.802 -27.779 -7.004 1.00 28.50 N ATOM 112 NH2 ARG A 107 -29.132 -25.976 -7.537 1.00 27.18 N ATOM 113 HE ARG A 107 -27.778 -24.798 -5.782 1.00 0.00 H ATOM 114 HH12 ARG A 107 -28.300 -28.358 -7.709 1.00 0.00 H ATOM 115 HH11 ARG A 107 -27.026 -28.191 -6.448 1.00 0.00 H ATOM 116 HH22 ARG A 107 -29.634 -26.550 -8.244 1.00 0.00 H ATOM 117 HH21 ARG A 107 -29.393 -24.979 -7.396 1.00 0.00 H ATOM 118 H ARG A 107 -22.976 -26.646 -1.719 1.00 0.00 H ATOM 119 N SER A 108 -25.735 -24.797 -0.744 1.00 15.95 N ATOM 120 CA SER A 108 -26.959 -24.253 -0.171 1.00 18.19 C ATOM 121 C SER A 108 -26.904 -24.016 1.327 1.00 16.41 C ATOM 122 O SER A 108 -27.925 -23.620 1.900 1.00 16.56 O ATOM 123 CB SER A 108 -28.162 -25.150 -0.494 1.00 23.06 C ATOM 124 OG SER A 108 -27.990 -26.397 0.133 1.00 28.25 O ATOM 125 HG SER A 108 -27.160 -26.821 -0.200 1.00 0.00 H ATOM 126 H SER A 108 -25.371 -25.712 -0.410 1.00 0.00 H ATOM 127 N LYS A 109 -25.757 -24.219 1.977 1.00 14.73 N ATOM 128 CA LYS A 109 -25.723 -24.148 3.433 1.00 14.60 C ATOM 129 C LYS A 109 -24.302 -23.905 3.919 1.00 14.52 C ATOM 130 O LYS A 109 -23.351 -24.540 3.457 1.00 14.18 O ATOM 131 CB LYS A 109 -26.238 -25.453 4.048 1.00 14.85 C ATOM 132 CG LYS A 109 -26.186 -25.500 5.574 1.00 15.87 C ATOM 133 CD LYS A 109 -26.656 -26.860 6.072 1.00 17.77 C ATOM 134 CE LYS A 109 -26.673 -26.948 7.586 1.00 21.16 C ATOM 135 NZ LYS A 109 -27.166 -28.284 8.024 1.00 22.45 N ATOM 136 HZ1 LYS A 109 -28.131 -28.431 7.665 1.00 0.00 H ATOM 137 HZ2 LYS A 109 -26.539 -29.024 7.648 1.00 0.00 H ATOM 138 HZ3 LYS A 109 -27.171 -28.327 9.063 1.00 0.00 H ATOM 139 H LYS A 109 -24.888 -24.428 1.446 1.00 0.00 H ATOM 140 N VAL A 110 -24.169 -23.003 4.879 1.00 12.60 N ATOM 141 CA VAL A 110 -22.942 -22.883 5.645 1.00 12.02 C ATOM 142 C VAL A 110 -23.285 -22.973 7.119 1.00 11.32 C ATOM 143 O VAL A 110 -24.382 -22.594 7.552 1.00 12.52 O ATOM 144 CB VAL A 110 -22.178 -21.567 5.365 1.00 12.18 C ATOM 145 CG1 VAL A 110 -21.590 -21.566 3.954 1.00 13.21 C ATOM 146 CG2 VAL A 110 -23.083 -20.341 5.586 1.00 13.79 C ATOM 147 H VAL A 110 -24.963 -22.365 5.089 1.00 0.00 H ATOM 148 N TYR A 111 -22.315 -23.438 7.905 1.00 11.79 N ATOM 149 CA TYR A 111 -22.394 -23.260 9.345 1.00 11.24 C ATOM 150 C TYR A 111 -20.989 -23.286 9.922 1.00 11.30 C ATOM 151 O TYR A 111 -20.043 -23.790 9.300 1.00 12.44 O ATOM 152 CB TYR A 111 -23.338 -24.260 10.038 1.00 12.65 C ATOM 153 CG TYR A 111 -22.807 -25.663 10.167 1.00 14.94 C ATOM 154 CD1 TYR A 111 -22.030 -26.048 11.263 1.00 17.62 C ATOM 155 CD2 TYR A 111 -23.114 -26.629 9.210 1.00 17.57 C ATOM 156 CE1 TYR A 111 -21.572 -27.368 11.390 1.00 20.30 C ATOM 157 CE2 TYR A 111 -22.663 -27.930 9.333 1.00 20.26 C ATOM 158 CZ TYR A 111 -21.876 -28.287 10.404 1.00 20.92 C ATOM 159 OH TYR A 111 -21.434 -29.587 10.492 1.00 26.41 O ATOM 160 HH TYR A 111 -20.884 -29.693 11.308 1.00 0.00 H ATOM 161 H TYR A 111 -21.499 -23.930 7.487 1.00 0.00 H ATOM 162 N VAL A 112 -20.869 -22.719 11.113 1.00 10.78 N ATOM 163 CA VAL A 112 -19.653 -22.775 11.903 1.00 10.58 C ATOM 164 C VAL A 112 -20.089 -23.147 13.308 1.00 10.81 C ATOM 165 O VAL A 112 -21.020 -22.535 13.853 1.00 12.26 O ATOM 166 CB VAL A 112 -18.887 -21.433 11.920 1.00 11.58 C ATOM 167 CG1 VAL A 112 -17.650 -21.521 12.835 1.00 13.36 C ATOM 168 CG2 VAL A 112 -18.492 -21.023 10.502 1.00 12.28 C ATOM 169 H VAL A 112 -21.687 -22.208 11.501 1.00 0.00 H ATOM 170 N ALA A 113 -19.427 -24.137 13.892 1.00 12.35 N ATOM 171 CA ALA A 113 -19.641 -24.502 15.289 1.00 12.80 C ATOM 172 C ALA A 113 -18.326 -24.371 16.053 1.00 12.03 C ATOM 173 O ALA A 113 -17.245 -24.658 15.517 1.00 14.17 O ATOM 174 CB ALA A 113 -20.171 -25.929 15.417 1.00 12.82 C ATOM 175 H ALA A 113 -18.731 -24.672 13.335 1.00 0.00 H ATOM 176 N VAL A 114 -18.415 -23.925 17.302 1.00 12.25 N ATOM 177 CA VAL A 114 -17.261 -23.758 18.176 1.00 12.92 C ATOM 178 C VAL A 114 -17.591 -24.475 19.477 1.00 13.29 C ATOM 179 O VAL A 114 -18.595 -24.159 20.124 1.00 14.03 O ATOM 180 CB VAL A 114 -16.941 -22.275 18.435 1.00 14.02 C ATOM 181 CG1 VAL A 114 -15.767 -22.150 19.397 1.00 16.18 C ATOM 182 CG2 VAL A 114 -16.657 -21.524 17.128 1.00 14.64 C ATOM 183 H VAL A 114 -19.356 -23.683 17.674 1.00 0.00 H ATOM 184 N ASP A 115 -16.769 -25.448 19.844 1.00 14.02 N ATOM 185 CA ASP A 115 -16.998 -26.242 21.056 1.00 14.60 C ATOM 186 C ASP A 115 -18.405 -26.845 21.089 1.00 15.94 C ATOM 187 O ASP A 115 -19.042 -26.954 22.143 1.00 16.67 O ATOM 188 CB ASP A 115 -16.664 -25.471 22.338 1.00 17.50 C ATOM 189 CG ASP A 115 -15.188 -25.271 22.523 1.00 19.71 C ATOM 190 OD1 ASP A 115 -14.397 -25.997 21.873 1.00 19.35 O ATOM 191 OD2 ASP A 115 -14.825 -24.405 23.348 1.00 22.33 O ATOM 192 H ASP A 115 -15.937 -25.655 19.255 1.00 0.00 H ATOM 193 N GLY A 116 -18.884 -27.277 19.929 1.00 14.80 N ATOM 194 CA GLY A 116 -20.154 -27.975 19.849 1.00 15.97 C ATOM 195 C GLY A 116 -21.374 -27.090 19.788 1.00 14.01 C ATOM 196 O GLY A 116 -22.483 -27.611 19.811 1.00 17.94 O ATOM 197 H GLY A 116 -18.338 -27.112 19.059 1.00 0.00 H ATOM 198 N THR A 117 -21.207 -25.780 19.657 1.00 13.78 N ATOM 199 CA THR A 117 -22.298 -24.815 19.610 1.00 14.86 C ATOM 200 C THR A 117 -22.245 -24.120 18.255 1.00 11.92 C ATOM 201 O THR A 117 -21.187 -23.626 17.853 1.00 12.37 O ATOM 202 CB THR A 117 -22.038 -23.759 20.723 1.00 16.08 C ATOM 203 OG1 THR A 117 -22.145 -24.355 22.016 1.00 20.73 O ATOM 204 CG2 THR A 117 -22.976 -22.620 20.613 1.00 20.41 C ATOM 205 HG1 THR A 117 -21.477 -25.081 22.100 1.00 0.00 H ATOM 206 H THR A 117 -20.235 -25.419 19.583 1.00 0.00 H ATOM 207 N THR A 118 -23.373 -24.061 17.561 1.00 10.61 N ATOM 208 CA THR A 118 -23.419 -23.409 16.258 1.00 11.94 C ATOM 209 C THR A 118 -23.466 -21.895 16.435 1.00 11.63 C ATOM 210 O THR A 118 -24.409 -21.368 17.030 1.00 13.19 O ATOM 211 CB THR A 118 -24.633 -23.908 15.488 1.00 13.66 C ATOM 212 OG1 THR A 118 -24.480 -25.321 15.342 1.00 14.66 O ATOM 213 CG2 THR A 118 -24.664 -23.283 14.111 1.00 16.31 C ATOM 214 HG1 THR A 118 -25.254 -25.686 14.844 1.00 0.00 H ATOM 215 H THR A 118 -24.238 -24.486 17.952 1.00 0.00 H ATOM 216 N VAL A 119 -22.443 -21.204 15.919 1.00 11.65 N ATOM 217 CA VAL A 119 -22.336 -19.751 16.021 1.00 12.00 C ATOM 218 C VAL A 119 -22.693 -19.047 14.722 1.00 13.43 C ATOM 219 O VAL A 119 -22.880 -17.821 14.726 1.00 15.76 O ATOM 220 CB VAL A 119 -20.948 -19.306 16.532 1.00 13.51 C ATOM 221 CG1 VAL A 119 -20.670 -19.892 17.924 1.00 14.67 C ATOM 222 CG2 VAL A 119 -19.854 -19.681 15.517 1.00 16.14 C ATOM 223 H VAL A 119 -21.691 -21.724 15.424 1.00 0.00 H ATOM 224 N LEU A 120 -22.803 -19.775 13.617 1.00 13.09 N ATOM 225 CA LEU A 120 -23.225 -19.205 12.346 1.00 13.07 C ATOM 226 C LEU A 120 -23.961 -20.312 11.618 1.00 13.77 C ATOM 227 O LEU A 120 -23.480 -21.444 11.592 1.00 12.89 O ATOM 228 CB LEU A 120 -21.988 -18.791 11.533 1.00 17.20 C ATOM 229 CG LEU A 120 -22.161 -18.136 10.169 1.00 19.30 C ATOM 230 CD1 LEU A 120 -20.938 -17.290 9.900 1.00 22.99 C ATOM 231 CD2 LEU A 120 -22.267 -19.158 9.098 1.00 19.96 C ATOM 232 H LEU A 120 -22.579 -20.790 13.661 1.00 0.00 H ATOM 233 N GLU A 121 -25.118 -20.004 11.045 1.00 14.42 N ATOM 234 CA GLU A 121 -25.811 -20.979 10.207 1.00 15.17 C ATOM 235 C GLU A 121 -26.646 -20.218 9.198 1.00 14.46 C ATOM 236 O GLU A 121 -27.395 -19.311 9.561 1.00 16.81 O ATOM 237 CB GLU A 121 -26.697 -21.969 11.009 1.00 17.61 C ATOM 238 CG GLU A 121 -27.392 -23.019 10.087 1.00 21.30 C ATOM 239 CD GLU A 121 -27.948 -24.254 10.794 1.00 23.41 C ATOM 240 OE1 GLU A 121 -27.831 -24.340 12.047 1.00 23.00 O ATOM 241 OE2 GLU A 121 -28.537 -25.131 10.071 1.00 25.20 O ATOM 242 H GLU A 121 -25.534 -19.062 11.194 1.00 0.00 H ATOM 243 N ASP A 122 -26.515 -20.591 7.937 1.00 13.24 N ATOM 244 CA ASP A 122 -27.310 -19.963 6.888 1.00 13.65 C ATOM 245 C ASP A 122 -27.676 -21.035 5.879 1.00 16.05 C ATOM 246 O ASP A 122 -26.822 -21.504 5.126 1.00 15.34 O ATOM 247 CB ASP A 122 -26.539 -18.822 6.217 1.00 14.66 C ATOM 248 CG ASP A 122 -27.420 -17.996 5.298 1.00 18.58 C ATOM 249 OD1 ASP A 122 -28.335 -18.578 4.679 1.00 20.48 O ATOM 250 OD2 ASP A 122 -27.209 -16.771 5.191 1.00 21.60 O ATOM 251 H ASP A 122 -25.838 -21.341 7.690 1.00 0.00 H ATOM 252 N GLU A 123 -28.944 -21.426 5.894 1.00 16.74 N ATOM 253 CA GLU A 123 -29.523 -22.297 4.878 1.00 20.60 C ATOM 254 C GLU A 123 -30.730 -21.636 4.222 1.00 23.09 C ATOM 255 O GLU A 123 -31.635 -22.306 3.722 1.00 28.05 O ATOM 256 CB GLU A 123 -29.868 -23.680 5.430 1.00 21.97 C ATOM 257 CG GLU A 123 -30.070 -24.712 4.313 1.00 23.91 C ATOM 258 CD GLU A 123 -30.179 -26.118 4.822 1.00 27.07 C ATOM 259 OE1 GLU A 123 -30.260 -27.048 3.985 1.00 28.69 O ATOM 260 OE2 GLU A 123 -30.189 -26.294 6.059 1.00 28.48 O ATOM 261 H GLU A 123 -29.555 -21.095 6.668 1.00 0.00 H ATOM 262 N ALA A 124 -30.757 -20.312 4.225 1.00 23.35 N ATOM 263 CA ALA A 124 -31.853 -19.586 3.595 1.00 26.54 C ATOM 264 C ALA A 124 -31.723 -19.664 2.075 1.00 32.15 C ATOM 265 O ALA A 124 -30.643 -19.451 1.517 1.00 33.60 O ATOM 266 CB ALA A 124 -31.834 -18.133 4.061 1.00 28.76 C ATOM 267 H ALA A 124 -29.987 -19.784 4.682 1.00 0.00 H ATOM 268 N ARG A 125 -32.851 -19.923 1.404 1.00 35.66 N ATOM 269 CA ARG A 125 -32.816 -20.470 0.046 1.00 41.49 C ATOM 270 C ARG A 125 -32.076 -19.570 -0.941 1.00 42.83 C ATOM 271 O ARG A 125 -31.221 -20.041 -1.699 1.00 47.25 O ATOM 272 CB ARG A 125 -34.231 -20.784 -0.442 1.00 46.17 C ATOM 273 CG ARG A 125 -34.302 -21.965 -1.400 1.00 52.44 C ATOM 274 CD ARG A 125 -35.395 -22.936 -0.983 1.00 57.48 C ATOM 275 NE ARG A 125 -36.681 -22.260 -0.847 1.00 61.51 N ATOM 276 CZ ARG A 125 -37.486 -22.371 0.209 1.00 63.98 C ATOM 277 NH1 ARG A 125 -38.638 -21.714 0.228 1.00 64.70 N ATOM 278 NH2 ARG A 125 -37.140 -23.139 1.233 1.00 64.81 N ATOM 279 HE ARG A 125 -36.991 -21.649 -1.629 1.00 0.00 H ATOM 280 HH12 ARG A 125 -39.270 -21.797 1.049 1.00 0.00 H ATOM 281 HH11 ARG A 125 -38.909 -21.116 -0.579 1.00 0.00 H ATOM 282 HH22 ARG A 125 -37.770 -23.224 2.056 1.00 0.00 H ATOM 283 HH21 ARG A 125 -36.238 -23.657 1.213 1.00 0.00 H ATOM 284 H ARG A 125 -33.769 -19.733 1.855 1.00 0.00 H ATOM 285 N GLU A 126 -32.396 -18.282 -0.970 1.00 40.55 N ATOM 286 CA GLU A 126 -31.756 -17.371 -1.918 1.00 43.58 C ATOM 287 C GLU A 126 -31.152 -16.162 -1.211 1.00 38.99 C ATOM 288 O GLU A 126 -31.296 -15.014 -1.645 1.00 36.90 O ATOM 289 CB GLU A 126 -32.694 -16.963 -3.055 1.00 51.10 C ATOM 290 CG GLU A 126 -33.633 -18.070 -3.563 1.00 57.10 C ATOM 291 CD GLU A 126 -32.925 -19.172 -4.356 1.00 61.71 C ATOM 292 OE1 GLU A 126 -31.815 -18.933 -4.882 1.00 63.14 O ATOM 293 OE2 GLU A 126 -33.494 -20.282 -4.466 1.00 63.39 O ATOM 294 H GLU A 126 -33.111 -17.916 -0.310 1.00 0.00 H ATOM 295 N GLN A 127 -30.454 -16.425 -0.109 1.00 32.19 N ATOM 296 CA GLN A 127 -29.845 -15.406 0.721 1.00 29.70 C ATOM 297 C GLN A 127 -28.462 -15.897 1.116 1.00 22.90 C ATOM 298 O GLN A 127 -28.160 -17.085 1.007 1.00 24.06 O ATOM 299 CB GLN A 127 -30.633 -15.227 2.026 1.00 34.38 C ATOM 300 CG GLN A 127 -32.032 -14.653 1.889 1.00 40.25 C ATOM 301 CD GLN A 127 -33.064 -15.397 2.729 1.00 44.65 C ATOM 302 OE1 GLN A 127 -33.583 -16.449 2.334 1.00 47.18 O ATOM 303 NE2 GLN A 127 -33.343 -14.863 3.918 1.00 45.27 N ATOM 304 HE22 GLN A 127 -32.884 -13.977 4.211 1.00 0.00 H ATOM 305 HE21 GLN A 127 -34.020 -15.332 4.553 1.00 0.00 H ATOM 306 H GLN A 127 -30.339 -17.420 0.173 1.00 0.00 H ATOM 307 N GLY A 128 -27.621 -14.975 1.591 1.00 20.33 N ATOM 308 CA GLY A 128 -26.346 -15.361 2.173 1.00 18.23 C ATOM 309 C GLY A 128 -25.322 -15.924 1.217 1.00 14.79 C ATOM 310 O GLY A 128 -24.424 -16.656 1.643 1.00 14.56 O ATOM 311 H GLY A 128 -27.881 -13.969 1.544 1.00 0.00 H ATOM 312 N ARG A 129 -25.419 -15.613 -0.066 1.00 14.32 N ATOM 313 CA ARG A 129 -24.378 -16.052 -0.987 1.00 13.55 C ATOM 314 C ARG A 129 -23.044 -15.392 -0.649 1.00 13.33 C ATOM 315 O ARG A 129 -22.994 -14.221 -0.252 1.00 13.20 O ATOM 316 CB ARG A 129 -24.788 -15.669 -2.405 1.00 13.24 C ATOM 317 CG ARG A 129 -23.786 -16.026 -3.465 1.00 12.88 C ATOM 318 CD ARG A 129 -24.354 -15.697 -4.846 1.00 13.77 C ATOM 319 NE ARG A 129 -24.685 -14.280 -4.937 1.00 13.75 N ATOM 320 CZ ARG A 129 -25.647 -13.776 -5.705 1.00 14.37 C ATOM 321 NH1 ARG A 129 -26.411 -14.565 -6.472 1.00 16.19 N ATOM 322 NH2 ARG A 129 -25.845 -12.467 -5.700 1.00 16.60 N ATOM 323 HE ARG A 129 -24.130 -13.616 -4.361 1.00 0.00 H ATOM 324 HH12 ARG A 129 -27.157 -14.149 -7.065 1.00 0.00 H ATOM 325 HH11 ARG A 129 -26.258 -15.594 -6.475 1.00 0.00 H ATOM 326 HH22 ARG A 129 -26.592 -12.052 -6.293 1.00 0.00 H ATOM 327 HH21 ARG A 129 -25.254 -11.854 -5.103 1.00 0.00 H ATOM 328 H ARG A 129 -26.229 -15.061 -0.413 1.00 0.00 H ATOM 329 N GLY A 130 -21.944 -16.130 -0.840 1.00 12.37 N ATOM 330 CA GLY A 130 -20.617 -15.535 -0.802 1.00 11.70 C ATOM 331 C GLY A 130 -19.759 -16.099 0.321 1.00 10.72 C ATOM 332 O GLY A 130 -19.892 -17.262 0.721 1.00 12.71 O ATOM 333 H GLY A 130 -22.040 -17.150 -1.019 1.00 0.00 H ATOM 334 N ILE A 131 -18.832 -15.268 0.801 1.00 10.80 N ATOM 335 CA ILE A 131 -17.877 -15.684 1.829 1.00 10.53 C ATOM 336 C ILE A 131 -18.364 -15.201 3.192 1.00 10.65 C ATOM 337 O ILE A 131 -18.485 -13.993 3.435 1.00 11.76 O ATOM 338 CB ILE A 131 -16.459 -15.173 1.531 1.00 11.81 C ATOM 339 CG1 ILE A 131 -15.967 -15.703 0.175 1.00 11.93 C ATOM 340 CG2 ILE A 131 -15.513 -15.631 2.646 1.00 13.53 C ATOM 341 CD1 ILE A 131 -14.681 -15.091 -0.288 1.00 13.34 C ATOM 342 H ILE A 131 -18.787 -14.296 0.434 1.00 0.00 H ATOM 343 N HIS A 132 -18.667 -16.143 4.068 1.00 10.09 N ATOM 344 CA HIS A 132 -19.001 -15.833 5.453 1.00 10.10 C ATOM 345 C HIS A 132 -17.716 -15.807 6.261 1.00 11.38 C ATOM 346 O HIS A 132 -16.865 -16.687 6.111 1.00 12.31 O ATOM 347 CB HIS A 132 -19.938 -16.913 6.002 1.00 11.18 C ATOM 348 CG HIS A 132 -21.278 -16.929 5.332 1.00 11.29 C ATOM 349 ND1 HIS A 132 -22.438 -16.569 5.986 1.00 13.09 N ATOM 350 CD2 HIS A 132 -21.634 -17.218 4.055 1.00 12.04 C ATOM 351 CE1 HIS A 132 -23.450 -16.638 5.140 1.00 14.11 C ATOM 352 NE2 HIS A 132 -22.985 -17.008 3.957 1.00 13.42 N ATOM 353 H HIS A 132 -18.667 -17.136 3.760 1.00 0.00 H ATOM 354 N VAL A 133 -17.582 -14.796 7.109 1.00 11.27 N ATOM 355 CA VAL A 133 -16.387 -14.597 7.917 1.00 11.43 C ATOM 356 C VAL A 133 -16.788 -14.488 9.384 1.00 10.51 C ATOM 357 O VAL A 133 -17.685 -13.708 9.725 1.00 12.08 O ATOM 358 CB VAL A 133 -15.610 -13.337 7.484 1.00 13.40 C ATOM 359 CG1 VAL A 133 -14.343 -13.212 8.319 1.00 14.30 C ATOM 360 CG2 VAL A 133 -15.290 -13.389 5.990 1.00 13.66 C ATOM 361 H VAL A 133 -18.364 -14.116 7.201 1.00 0.00 H ATOM 362 N ILE A 134 -16.123 -15.268 10.239 1.00 10.33 N ATOM 363 CA ILE A 134 -16.289 -15.232 11.689 1.00 11.17 C ATOM 364 C ILE A 134 -14.922 -14.954 12.295 1.00 10.17 C ATOM 365 O ILE A 134 -13.931 -15.572 11.901 1.00 10.99 O ATOM 366 CB ILE A 134 -16.805 -16.589 12.231 1.00 16.62 C ATOM 367 CG1 ILE A 134 -18.244 -16.862 11.850 1.00 23.51 C ATOM 368 CG2 ILE A 134 -16.689 -16.656 13.755 1.00 20.62 C ATOM 369 CD1 ILE A 134 -19.258 -16.410 12.884 1.00 28.44 C ATOM 370 H ILE A 134 -15.441 -15.947 9.846 1.00 0.00 H ATOM 371 N VAL A 135 -14.877 -14.042 13.265 1.00 9.28 N ATOM 372 CA VAL A 135 -13.645 -13.728 13.982 1.00 9.50 C ATOM 373 C VAL A 135 -13.862 -14.095 15.434 1.00 9.81 C ATOM 374 O VAL A 135 -14.855 -13.661 16.030 1.00 10.21 O ATOM 375 CB VAL A 135 -13.333 -12.222 13.876 1.00 11.16 C ATOM 376 CG1 VAL A 135 -12.090 -11.844 14.681 1.00 12.35 C ATOM 377 CG2 VAL A 135 -13.185 -11.789 12.404 1.00 12.41 C ATOM 378 H VAL A 135 -15.749 -13.537 13.520 1.00 0.00 H ATOM 379 N LEU A 136 -12.932 -14.874 16.007 1.00 9.91 N ATOM 380 CA LEU A 136 -13.027 -15.280 17.408 1.00 9.18 C ATOM 381 C LEU A 136 -11.902 -14.670 18.234 1.00 10.12 C ATOM 382 O LEU A 136 -10.766 -14.507 17.765 1.00 10.51 O ATOM 383 CB LEU A 136 -12.928 -16.795 17.602 1.00 10.49 C ATOM 384 CG LEU A 136 -13.813 -17.668 16.730 1.00 11.22 C ATOM 385 CD1 LEU A 136 -13.565 -19.158 17.070 1.00 12.31 C ATOM 386 CD2 LEU A 136 -15.297 -17.322 16.894 1.00 12.51 C ATOM 387 H LEU A 136 -12.123 -15.197 15.440 1.00 0.00 H ATOM 388 N ASN A 137 -12.214 -14.395 19.499 1.00 10.27 N ATOM 389 CA ASN A 137 -11.177 -14.074 20.462 1.00 10.39 C ATOM 390 C ASN A 137 -10.300 -15.310 20.675 1.00 10.30 C ATOM 391 O ASN A 137 -10.802 -16.419 20.862 1.00 11.08 O ATOM 392 CB ASN A 137 -11.820 -13.622 21.777 1.00 11.58 C ATOM 393 CG ASN A 137 -10.779 -13.342 22.848 1.00 10.63 C ATOM 394 OD1 ASN A 137 -10.222 -14.274 23.448 1.00 11.70 O ATOM 395 ND2 ASN A 137 -10.493 -12.066 23.083 1.00 11.40 N ATOM 396 HD22 ASN A 137 -10.985 -11.317 22.556 1.00 0.00 H ATOM 397 HD21 ASN A 137 -9.777 -11.816 23.794 1.00 0.00 H ATOM 398 H ASN A 137 -13.210 -14.410 19.799 1.00 0.00 H ATOM 399 N GLN A 138 -8.985 -15.114 20.644 1.00 10.80 N ATOM 400 CA GLN A 138 -8.024 -16.209 20.612 1.00 11.97 C ATOM 401 C GLN A 138 -7.786 -16.858 21.973 1.00 12.33 C ATOM 402 O GLN A 138 -7.126 -17.902 22.034 1.00 13.55 O ATOM 403 CB GLN A 138 -6.697 -15.699 20.022 1.00 12.81 C ATOM 404 CG GLN A 138 -6.034 -14.537 20.786 1.00 14.40 C ATOM 405 CD GLN A 138 -6.427 -13.160 20.274 1.00 12.82 C ATOM 406 OE1 GLN A 138 -7.587 -12.887 19.953 1.00 12.49 O ATOM 407 NE2 GLN A 138 -5.445 -12.284 20.177 1.00 15.17 N ATOM 408 HE22 GLN A 138 -4.480 -12.552 20.458 1.00 0.00 H ATOM 409 HE21 GLN A 138 -5.636 -11.326 19.820 1.00 0.00 H ATOM 410 H GLN A 138 -8.627 -14.137 20.643 1.00 0.00 H ATOM 411 N ALA A 139 -8.287 -16.264 23.054 1.00 12.25 N ATOM 412 CA ALA A 139 -8.192 -16.859 24.382 1.00 12.73 C ATOM 413 C ALA A 139 -9.488 -17.519 24.828 1.00 12.62 C ATOM 414 O ALA A 139 -9.445 -18.536 25.533 1.00 15.99 O ATOM 415 CB ALA A 139 -7.772 -15.809 25.419 1.00 14.20 C ATOM 416 H ALA A 139 -8.762 -15.345 22.948 1.00 0.00 H ATOM 417 N THR A 140 -10.643 -16.980 24.441 1.00 12.91 N ATOM 418 CA THR A 140 -11.919 -17.486 24.921 1.00 12.70 C ATOM 419 C THR A 140 -12.753 -18.163 23.855 1.00 12.95 C ATOM 420 O THR A 140 -13.670 -18.910 24.203 1.00 15.40 O ATOM 421 CB THR A 140 -12.759 -16.344 25.502 1.00 13.24 C ATOM 422 OG1 THR A 140 -13.040 -15.425 24.441 1.00 12.91 O ATOM 423 CG2 THR A 140 -12.019 -15.615 26.636 1.00 16.35 C ATOM 424 HG1 THR A 140 -12.189 -15.075 24.075 1.00 0.00 H ATOM 425 H THR A 140 -10.632 -16.178 23.779 1.00 0.00 H ATOM 426 N GLY A 141 -12.485 -17.910 22.578 1.00 12.33 N ATOM 427 CA GLY A 141 -13.345 -18.390 21.526 1.00 12.88 C ATOM 428 C GLY A 141 -14.633 -17.611 21.341 1.00 12.64 C ATOM 429 O GLY A 141 -15.436 -17.986 20.477 1.00 13.17 O ATOM 430 H GLY A 141 -11.640 -17.356 22.334 1.00 0.00 H ATOM 431 N HIS A 142 -14.845 -16.521 22.092 1.00 11.21 N ATOM 432 CA HIS A 142 -16.034 -15.704 21.882 1.00 11.86 C ATOM 433 C HIS A 142 -16.027 -15.083 20.492 1.00 10.34 C ATOM 434 O HIS A 142 -14.980 -14.691 19.970 1.00 10.91 O ATOM 435 CB HIS A 142 -16.137 -14.609 22.943 1.00 12.68 C ATOM 436 CG HIS A 142 -16.429 -15.143 24.310 1.00 16.07 C ATOM 437 ND1 HIS A 142 -16.564 -14.342 25.418 1.00 21.06 N ATOM 438 CD2 HIS A 142 -16.619 -16.412 24.743 1.00 21.18 C ATOM 439 CE1 HIS A 142 -16.825 -15.090 26.476 1.00 20.01 C ATOM 440 NE2 HIS A 142 -16.864 -16.350 26.093 1.00 22.80 N ATOM 441 H HIS A 142 -14.159 -16.257 22.827 1.00 0.00 H ATOM 442 N VAL A 143 -17.211 -14.969 19.901 1.00 10.80 N ATOM 443 CA VAL A 143 -17.343 -14.370 18.571 1.00 11.07 C ATOM 444 C VAL A 143 -17.195 -12.853 18.662 1.00 10.50 C ATOM 445 O VAL A 143 -17.977 -12.164 19.336 1.00 12.22 O ATOM 446 CB VAL A 143 -18.680 -14.747 17.925 1.00 11.92 C ATOM 447 CG1 VAL A 143 -18.839 -13.997 16.588 1.00 13.82 C ATOM 448 CG2 VAL A 143 -18.749 -16.267 17.709 1.00 14.46 C ATOM 449 H VAL A 143 -18.061 -15.312 20.392 1.00 0.00 H ATOM 450 N MET A 144 -16.198 -12.321 17.962 1.00 10.68 N ATOM 451 CA MET A 144 -15.981 -10.878 17.931 1.00 9.88 C ATOM 452 C MET A 144 -16.663 -10.208 16.761 1.00 9.65 C ATOM 453 O MET A 144 -16.974 -9.011 16.843 1.00 12.11 O ATOM 454 CB MET A 144 -14.486 -10.576 17.837 1.00 10.83 C ATOM 455 CG MET A 144 -13.686 -11.082 19.027 1.00 13.25 C ATOM 456 SD MET A 144 -14.040 -10.244 20.587 1.00 14.86 S ATOM 457 CE MET A 144 -15.185 -11.371 21.348 1.00 15.46 C ATOM 458 H MET A 144 -15.561 -12.945 17.427 1.00 0.00 H ATOM 459 N ALA A 145 -16.874 -10.930 15.662 1.00 9.87 N ATOM 460 CA ALA A 145 -17.472 -10.341 14.467 1.00 10.05 C ATOM 461 C ALA A 145 -17.985 -11.460 13.579 1.00 10.74 C ATOM 462 O ALA A 145 -17.417 -12.564 13.551 1.00 11.06 O ATOM 463 CB ALA A 145 -16.463 -9.487 13.686 1.00 12.10 C ATOM 464 H ALA A 145 -16.607 -11.935 15.655 1.00 0.00 H ATOM 465 N LYS A 146 -19.055 -11.156 12.839 1.00 11.29 N ATOM 466 CA LYS A 146 -19.660 -12.088 11.898 1.00 12.67 C ATOM 467 C LYS A 146 -20.065 -11.256 10.697 1.00 14.38 C ATOM 468 O LYS A 146 -20.747 -10.245 10.860 1.00 20.28 O ATOM 469 CB LYS A 146 -20.944 -12.633 12.496 1.00 18.39 C ATOM 470 CG LYS A 146 -20.773 -13.554 13.643 1.00 27.71 C ATOM 471 CD LYS A 146 -22.097 -14.224 14.012 1.00 32.36 C ATOM 472 CE LYS A 146 -22.859 -14.691 12.786 1.00 34.48 C ATOM 473 NZ LYS A 146 -24.015 -15.545 13.176 1.00 37.36 N ATOM 474 HZ1 LYS A 146 -23.670 -16.378 13.695 1.00 0.00 H ATOM 475 HZ2 LYS A 146 -24.658 -14.999 13.784 1.00 0.00 H ATOM 476 HZ3 LYS A 146 -24.521 -15.853 12.321 1.00 0.00 H ATOM 477 H LYS A 146 -19.475 -10.210 12.940 1.00 0.00 H ATOM 478 N ARG A 147 -19.632 -11.646 9.511 1.00 12.04 N ATOM 479 CA ARG A 147 -19.951 -10.894 8.306 1.00 11.66 C ATOM 480 C ARG A 147 -20.241 -11.866 7.181 1.00 10.27 C ATOM 481 O ARG A 147 -19.811 -13.019 7.211 1.00 11.66 O ATOM 482 CB ARG A 147 -18.776 -10.017 7.870 1.00 14.94 C ATOM 483 CG ARG A 147 -18.299 -9.006 8.920 1.00 18.02 C ATOM 484 CD ARG A 147 -19.439 -8.033 9.363 1.00 20.44 C ATOM 485 NE ARG A 147 -18.927 -6.928 10.188 1.00 21.86 N ATOM 486 CZ ARG A 147 -18.342 -5.876 9.648 1.00 20.93 C ATOM 487 NH1 ARG A 147 -18.209 -5.833 8.324 1.00 22.04 N ATOM 488 NH2 ARG A 147 -17.868 -4.897 10.403 1.00 19.66 N ATOM 489 HE ARG A 147 -19.029 -6.977 11.222 1.00 0.00 H ATOM 490 HH12 ARG A 147 -17.751 -5.015 7.874 1.00 0.00 H ATOM 491 HH11 ARG A 147 -18.563 -6.618 7.740 1.00 0.00 H ATOM 492 HH22 ARG A 147 -17.410 -4.075 9.961 1.00 0.00 H ATOM 493 HH21 ARG A 147 -17.954 -4.950 11.438 1.00 0.00 H ATOM 494 H ARG A 147 -19.052 -12.506 9.437 1.00 0.00 H ATOM 495 N VAL A 148 -20.931 -11.382 6.155 1.00 10.73 N ATOM 496 CA VAL A 148 -20.994 -12.097 4.887 1.00 12.33 C ATOM 497 C VAL A 148 -20.705 -11.113 3.766 1.00 11.19 C ATOM 498 O VAL A 148 -21.228 -9.991 3.771 1.00 13.72 O ATOM 499 CB VAL A 148 -22.334 -12.823 4.666 1.00 14.61 C ATOM 500 CG1 VAL A 148 -23.493 -11.869 4.752 1.00 18.71 C ATOM 501 CG2 VAL A 148 -22.330 -13.582 3.323 1.00 15.63 C ATOM 502 H VAL A 148 -21.435 -10.478 6.258 1.00 0.00 H ATOM 503 N PHE A 149 -19.837 -11.513 2.847 1.00 10.44 N ATOM 504 CA PHE A 149 -19.483 -10.710 1.679 1.00 10.59 C ATOM 505 C PHE A 149 -19.909 -11.466 0.428 1.00 10.93 C ATOM 506 O PHE A 149 -19.392 -12.554 0.149 1.00 11.79 O ATOM 507 CB PHE A 149 -17.977 -10.410 1.665 1.00 11.52 C ATOM 508 CG PHE A 149 -17.525 -9.695 2.898 1.00 11.44 C ATOM 509 CD1 PHE A 149 -17.720 -8.321 3.016 1.00 13.94 C ATOM 510 CD2 PHE A 149 -16.950 -10.385 3.951 1.00 11.66 C ATOM 511 CE1 PHE A 149 -17.336 -7.638 4.155 1.00 13.03 C ATOM 512 CE2 PHE A 149 -16.571 -9.722 5.107 1.00 12.08 C ATOM 513 CZ PHE A 149 -16.753 -8.343 5.209 1.00 13.34 C ATOM 514 H PHE A 149 -19.386 -12.443 2.963 1.00 0.00 H ATOM 515 N ASP A 150 -20.851 -10.893 -0.320 1.00 10.92 N ATOM 516 CA ASP A 150 -21.353 -11.534 -1.536 1.00 11.64 C ATOM 517 C ASP A 150 -20.357 -11.302 -2.671 1.00 10.32 C ATOM 518 O ASP A 150 -20.566 -10.478 -3.566 1.00 10.95 O ATOM 519 CB ASP A 150 -22.733 -10.989 -1.895 1.00 12.05 C ATOM 520 CG ASP A 150 -23.253 -11.583 -3.200 1.00 12.64 C ATOM 521 OD1 ASP A 150 -22.758 -12.667 -3.580 1.00 12.48 O ATOM 522 OD2 ASP A 150 -24.138 -10.984 -3.859 1.00 15.18 O ATOM 523 H ASP A 150 -21.238 -9.971 -0.034 1.00 0.00 H ATOM 524 N THR A 151 -19.253 -12.060 -2.636 1.00 10.87 N ATOM 525 CA THR A 151 -18.161 -11.863 -3.590 1.00 10.71 C ATOM 526 C THR A 151 -18.457 -12.442 -4.976 1.00 10.52 C ATOM 527 O THR A 151 -17.589 -12.393 -5.859 1.00 11.79 O ATOM 528 CB THR A 151 -16.838 -12.369 -3.006 1.00 10.59 C ATOM 529 OG1 THR A 151 -17.046 -13.671 -2.463 1.00 10.95 O ATOM 530 CG2 THR A 151 -16.330 -11.430 -1.890 1.00 12.22 C ATOM 531 HG1 THR A 151 -17.353 -14.281 -3.180 1.00 0.00 H ATOM 532 H THR A 151 -19.170 -12.805 -1.915 1.00 0.00 H ATOM 533 N TYR A 152 -19.666 -12.969 -5.187 1.00 10.57 N ATOM 534 CA TYR A 152 -20.184 -13.165 -6.536 1.00 11.76 C ATOM 535 C TYR A 152 -20.530 -11.839 -7.205 1.00 11.26 C ATOM 536 O TYR A 152 -20.640 -11.792 -8.433 1.00 12.57 O ATOM 537 CB TYR A 152 -21.426 -14.055 -6.460 1.00 12.06 C ATOM 538 CG TYR A 152 -22.205 -14.194 -7.738 1.00 13.53 C ATOM 539 CD1 TYR A 152 -21.842 -15.132 -8.702 1.00 15.62 C ATOM 540 CD2 TYR A 152 -23.334 -13.403 -7.985 1.00 14.99 C ATOM 541 CE1 TYR A 152 -22.574 -15.272 -9.872 1.00 19.09 C ATOM 542 CE2 TYR A 152 -24.060 -13.532 -9.159 1.00 18.94 C ATOM 543 CZ TYR A 152 -23.672 -14.473 -10.095 1.00 22.41 C ATOM 544 OH TYR A 152 -24.400 -14.614 -11.260 1.00 29.45 O ATOM 545 HH TYR A 152 -24.394 -13.758 -11.757 1.00 0.00 H ATOM 546 H TYR A 152 -20.250 -13.245 -4.372 1.00 0.00 H ATOM 547 N SER A 153 -20.715 -10.762 -6.424 1.00 11.38 N ATOM 548 CA SER A 153 -21.146 -9.455 -6.905 1.00 11.53 C ATOM 549 C SER A 153 -20.023 -8.433 -6.762 1.00 12.17 C ATOM 550 O SER A 153 -19.218 -8.523 -5.827 1.00 12.32 O ATOM 551 CB SER A 153 -22.343 -8.958 -6.096 1.00 13.45 C ATOM 552 OG SER A 153 -23.430 -9.841 -6.256 1.00 14.26 O ATOM 553 HG SER A 153 -23.678 -9.887 -7.213 1.00 0.00 H ATOM 554 H SER A 153 -20.538 -10.868 -5.405 1.00 0.00 H ATOM 555 N PRO A 154 -19.961 -7.429 -7.641 1.00 12.30 N ATOM 556 CA PRO A 154 -18.883 -6.427 -7.535 1.00 11.71 C ATOM 557 C PRO A 154 -18.896 -5.683 -6.203 1.00 12.55 C ATOM 558 O PRO A 154 -19.944 -5.484 -5.579 1.00 13.08 O ATOM 559 CB PRO A 154 -19.177 -5.463 -8.693 1.00 13.76 C ATOM 560 CG PRO A 154 -19.961 -6.288 -9.684 1.00 15.13 C ATOM 561 CD PRO A 154 -20.781 -7.242 -8.855 1.00 13.70 C ATOM 562 N HIS A 155 -17.701 -5.265 -5.789 1.00 10.73 N ATOM 563 CA HIS A 155 -17.432 -4.376 -4.652 1.00 11.44 C ATOM 564 C HIS A 155 -17.409 -5.067 -3.296 1.00 10.90 C ATOM 565 O HIS A 155 -16.876 -4.505 -2.332 1.00 12.40 O ATOM 566 CB HIS A 155 -18.381 -3.168 -4.596 1.00 11.40 C ATOM 567 CG HIS A 155 -18.356 -2.324 -5.828 1.00 13.92 C ATOM 568 ND1 HIS A 155 -17.312 -1.473 -6.112 1.00 16.91 N ATOM 569 CD2 HIS A 155 -19.216 -2.230 -6.870 1.00 16.62 C ATOM 570 CE1 HIS A 155 -17.548 -0.857 -7.259 1.00 19.20 C ATOM 571 NE2 HIS A 155 -18.691 -1.310 -7.749 1.00 17.77 N ATOM 572 H HIS A 155 -16.876 -5.602 -6.325 1.00 0.00 H ATOM 573 N GLU A 156 -17.967 -6.281 -3.197 1.00 10.43 N ATOM 574 CA GLU A 156 -17.999 -6.963 -1.903 1.00 11.02 C ATOM 575 C GLU A 156 -16.600 -7.390 -1.470 1.00 9.97 C ATOM 576 O GLU A 156 -16.301 -7.404 -0.262 1.00 11.35 O ATOM 577 CB GLU A 156 -18.993 -8.131 -1.954 1.00 11.70 C ATOM 578 CG GLU A 156 -20.434 -7.671 -2.059 1.00 12.29 C ATOM 579 CD GLU A 156 -20.986 -7.231 -0.728 1.00 17.57 C ATOM 580 OE1 GLU A 156 -21.101 -8.070 0.169 1.00 17.43 O ATOM 581 OE2 GLU A 156 -21.330 -6.055 -0.576 1.00 25.48 O ATOM 582 H GLU A 156 -18.376 -6.737 -4.037 1.00 0.00 H ATOM 583 N ASP A 157 -15.738 -7.736 -2.434 1.00 10.24 N ATOM 584 CA ASP A 157 -14.369 -8.091 -2.110 1.00 10.47 C ATOM 585 C ASP A 157 -13.621 -6.905 -1.524 1.00 10.56 C ATOM 586 O ASP A 157 -12.790 -7.080 -0.628 1.00 11.07 O ATOM 587 CB ASP A 157 -13.641 -8.694 -3.314 1.00 10.90 C ATOM 588 CG ASP A 157 -13.432 -7.711 -4.464 1.00 12.83 C ATOM 589 OD1 ASP A 157 -14.252 -6.772 -4.632 1.00 12.43 O ATOM 590 OD2 ASP A 157 -12.470 -7.949 -5.238 1.00 13.46 O ATOM 591 H ASP A 157 -16.053 -7.750 -3.425 1.00 0.00 H ATOM 592 N GLU A 158 -13.920 -5.686 -2.005 1.00 10.86 N ATOM 593 CA GLU A 158 -13.299 -4.488 -1.442 1.00 11.00 C ATOM 594 C GLU A 158 -13.725 -4.280 0.002 1.00 10.54 C ATOM 595 O GLU A 158 -12.910 -3.902 0.860 1.00 10.97 O ATOM 596 CB GLU A 158 -13.713 -3.263 -2.255 1.00 14.90 C ATOM 597 CG GLU A 158 -13.213 -3.256 -3.625 1.00 18.92 C ATOM 598 CD GLU A 158 -13.889 -2.175 -4.493 1.00 21.33 C ATOM 599 OE1 GLU A 158 -15.033 -1.700 -4.223 1.00 24.07 O ATOM 600 OE2 GLU A 158 -13.254 -1.808 -5.465 1.00 20.87 O ATOM 601 H GLU A 158 -14.600 -5.594 -2.786 1.00 0.00 H ATOM 602 N ALA A 159 -15.014 -4.487 0.281 1.00 10.83 N ATOM 603 CA ALA A 159 -15.483 -4.428 1.661 1.00 11.04 C ATOM 604 C ALA A 159 -14.803 -5.491 2.512 1.00 10.78 C ATOM 605 O ALA A 159 -14.440 -5.236 3.669 1.00 11.73 O ATOM 606 CB ALA A 159 -17.006 -4.576 1.700 1.00 12.06 C ATOM 607 H ALA A 159 -15.685 -4.691 -0.487 1.00 0.00 H ATOM 608 N MET A 160 -14.623 -6.690 1.951 1.00 10.61 N ATOM 609 CA MET A 160 -13.961 -7.760 2.688 1.00 10.19 C ATOM 610 C MET A 160 -12.517 -7.401 3.031 1.00 10.09 C ATOM 611 O MET A 160 -12.077 -7.633 4.163 1.00 10.75 O ATOM 612 CB MET A 160 -14.055 -9.071 1.911 1.00 10.54 C ATOM 613 CG MET A 160 -13.520 -10.234 2.714 1.00 12.30 C ATOM 614 SD MET A 160 -13.709 -11.779 1.847 1.00 15.95 S ATOM 615 CE MET A 160 -12.379 -11.613 0.696 1.00 19.95 C ATOM 616 H MET A 160 -14.958 -6.862 0.981 1.00 0.00 H ATOM 617 N VAL A 161 -11.787 -6.809 2.082 1.00 9.96 N ATOM 618 CA VAL A 161 -10.406 -6.389 2.337 1.00 10.70 C ATOM 619 C VAL A 161 -10.349 -5.349 3.457 1.00 10.23 C ATOM 620 O VAL A 161 -9.535 -5.456 4.381 1.00 10.71 O ATOM 621 CB VAL A 161 -9.768 -5.865 1.037 1.00 11.65 C ATOM 622 CG1 VAL A 161 -8.470 -5.079 1.338 1.00 12.79 C ATOM 623 CG2 VAL A 161 -9.473 -7.044 0.097 1.00 12.89 C ATOM 624 H VAL A 161 -12.206 -6.643 1.145 1.00 0.00 H ATOM 625 N LEU A 162 -11.212 -4.329 3.392 1.00 10.34 N ATOM 626 CA LEU A 162 -11.197 -3.279 4.407 1.00 11.07 C ATOM 627 C LEU A 162 -11.505 -3.856 5.787 1.00 11.31 C ATOM 628 O LEU A 162 -10.903 -3.457 6.793 1.00 13.37 O ATOM 629 CB LEU A 162 -12.197 -2.183 4.017 1.00 12.10 C ATOM 630 CG LEU A 162 -11.720 -1.254 2.896 1.00 13.84 C ATOM 631 CD1 LEU A 162 -12.915 -0.601 2.199 1.00 14.80 C ATOM 632 CD2 LEU A 162 -10.768 -0.205 3.460 1.00 15.60 C ATOM 633 H LEU A 162 -11.899 -4.283 2.613 1.00 0.00 H ATOM 634 N PHE A 163 -12.428 -4.814 5.847 1.00 11.08 N ATOM 635 CA PHE A 163 -12.793 -5.443 7.111 1.00 10.69 C ATOM 636 C PHE A 163 -11.644 -6.295 7.644 1.00 11.45 C ATOM 637 O PHE A 163 -11.238 -6.154 8.808 1.00 12.57 O ATOM 638 CB PHE A 163 -14.048 -6.305 6.907 1.00 12.40 C ATOM 639 CG PHE A 163 -14.361 -7.163 8.083 1.00 12.52 C ATOM 640 CD1 PHE A 163 -14.935 -6.604 9.227 1.00 14.81 C ATOM 641 CD2 PHE A 163 -14.024 -8.506 8.094 1.00 13.13 C ATOM 642 CE1 PHE A 163 -15.202 -7.385 10.337 1.00 15.61 C ATOM 643 CE2 PHE A 163 -14.291 -9.282 9.204 1.00 15.67 C ATOM 644 CZ PHE A 163 -14.869 -8.722 10.326 1.00 16.37 C ATOM 645 H PHE A 163 -12.899 -5.121 4.972 1.00 0.00 H ATOM 646 N LEU A 164 -11.106 -7.193 6.799 1.00 11.03 N ATOM 647 CA LEU A 164 -10.030 -8.079 7.258 1.00 10.52 C ATOM 648 C LEU A 164 -8.799 -7.294 7.704 1.00 11.01 C ATOM 649 O LEU A 164 -8.100 -7.695 8.649 1.00 12.13 O ATOM 650 CB LEU A 164 -9.662 -9.066 6.152 1.00 12.29 C ATOM 651 CG LEU A 164 -10.700 -10.156 5.870 1.00 12.46 C ATOM 652 CD1 LEU A 164 -10.222 -11.000 4.685 1.00 15.06 C ATOM 653 CD2 LEU A 164 -10.946 -11.035 7.130 1.00 15.49 C ATOM 654 H LEU A 164 -11.453 -7.259 5.821 1.00 0.00 H ATOM 655 N ASN A 165 -8.513 -6.173 7.043 1.00 11.93 N ATOM 656 CA ASN A 165 -7.338 -5.394 7.401 1.00 14.31 C ATOM 657 C ASN A 165 -7.455 -4.783 8.787 1.00 14.75 C ATOM 658 O ASN A 165 -6.429 -4.468 9.396 1.00 16.97 O ATOM 659 CB ASN A 165 -7.045 -4.331 6.334 1.00 15.85 C ATOM 660 CG ASN A 165 -6.324 -4.910 5.108 1.00 17.49 C ATOM 661 OD1 ASN A 165 -5.690 -5.956 5.190 1.00 20.21 O ATOM 662 ND2 ASN A 165 -6.361 -4.192 4.001 1.00 20.72 N ATOM 663 HD22 ASN A 165 -6.911 -3.310 3.972 1.00 0.00 H ATOM 664 HD21 ASN A 165 -5.840 -4.509 3.158 1.00 0.00 H ATOM 665 H ASN A 165 -9.131 -5.854 6.270 1.00 0.00 H ATOM 666 N MET A 166 -8.665 -4.639 9.314 1.00 12.50 N ATOM 667 CA MET A 166 -8.843 -4.134 10.671 1.00 16.59 C ATOM 668 C MET A 166 -8.817 -5.225 11.731 1.00 15.07 C ATOM 669 O MET A 166 -8.734 -4.899 12.921 1.00 17.42 O ATOM 670 CB MET A 166 -10.149 -3.349 10.781 1.00 20.65 C ATOM 671 CG MET A 166 -10.104 -2.028 10.052 1.00 25.57 C ATOM 672 SD MET A 166 -11.511 -0.966 10.469 1.00 30.63 S ATOM 673 CE MET A 166 -12.827 -2.008 9.847 1.00 30.14 C ATOM 674 H MET A 166 -9.501 -4.891 8.749 1.00 0.00 H ATOM 675 N VAL A 167 -8.895 -6.500 11.338 1.00 12.94 N ATOM 676 CA VAL A 167 -8.859 -7.602 12.301 1.00 12.30 C ATOM 677 C VAL A 167 -7.455 -7.734 12.882 1.00 12.65 C ATOM 678 O VAL A 167 -6.458 -7.757 12.150 1.00 14.95 O ATOM 679 CB VAL A 167 -9.297 -8.907 11.617 1.00 13.00 C ATOM 680 CG1 VAL A 167 -9.147 -10.097 12.569 1.00 13.65 C ATOM 681 CG2 VAL A 167 -10.744 -8.803 11.111 1.00 13.72 C ATOM 682 H VAL A 167 -8.983 -6.714 10.324 1.00 0.00 H ATOM 683 N ALA A 168 -7.366 -7.826 14.208 1.00 12.32 N ATOM 684 CA ALA A 168 -6.061 -7.943 14.863 1.00 12.20 C ATOM 685 C ALA A 168 -5.346 -9.251 14.498 1.00 13.70 C ATOM 686 O ALA A 168 -5.990 -10.290 14.319 1.00 13.21 O ATOM 687 CB ALA A 168 -6.253 -7.881 16.376 1.00 13.96 C ATOM 688 H ALA A 168 -8.232 -7.815 14.784 1.00 0.00 H ATOM 689 N PRO A 169 -4.001 -9.236 14.437 1.00 13.80 N ATOM 690 CA PRO A 169 -3.271 -10.464 14.076 1.00 16.07 C ATOM 691 C PRO A 169 -3.500 -11.653 14.999 1.00 16.99 C ATOM 692 O PRO A 169 -3.402 -12.800 14.544 1.00 18.73 O ATOM 693 CB PRO A 169 -1.800 -10.021 14.046 1.00 18.22 C ATOM 694 CG PRO A 169 -1.758 -8.679 14.653 1.00 20.38 C ATOM 695 CD PRO A 169 -3.116 -8.061 14.463 1.00 16.74 C ATOM 696 N GLY A 170 -3.801 -11.443 16.262 1.00 16.67 N ATOM 697 CA GLY A 170 -3.961 -12.646 17.078 1.00 15.32 C ATOM 698 C GLY A 170 -5.286 -13.381 16.919 1.00 13.41 C ATOM 699 O GLY A 170 -5.437 -14.486 17.447 1.00 14.40 O ATOM 700 H GLY A 170 -3.917 -10.487 16.654 1.00 0.00 H ATOM 701 N ARG A 171 -6.253 -12.797 16.215 1.00 12.01 N ATOM 702 CA ARG A 171 -7.596 -13.362 16.187 1.00 10.86 C ATOM 703 C ARG A 171 -7.628 -14.691 15.442 1.00 11.57 C ATOM 704 O ARG A 171 -6.816 -14.946 14.541 1.00 12.19 O ATOM 705 CB ARG A 171 -8.570 -12.407 15.488 1.00 10.57 C ATOM 706 CG ARG A 171 -8.746 -11.059 16.155 1.00 11.21 C ATOM 707 CD ARG A 171 -9.128 -11.173 17.600 1.00 12.43 C ATOM 708 NE ARG A 171 -9.721 -9.935 18.076 1.00 12.40 N ATOM 709 CZ ARG A 171 -9.890 -9.646 19.354 1.00 12.67 C ATOM 710 NH1 ARG A 171 -9.440 -10.473 20.301 1.00 11.97 N ATOM 711 NH2 ARG A 171 -10.493 -8.516 19.688 1.00 13.46 N ATOM 712 HE ARG A 171 -10.030 -9.236 17.370 1.00 0.00 H ATOM 713 HH12 ARG A 171 -9.577 -10.238 21.305 1.00 0.00 H ATOM 714 HH11 ARG A 171 -8.952 -11.352 20.035 1.00 0.00 H ATOM 715 HH22 ARG A 171 -10.632 -8.277 20.691 1.00 0.00 H ATOM 716 HH21 ARG A 171 -10.828 -7.867 18.948 1.00 0.00 H ATOM 717 H ARG A 171 -6.048 -11.929 15.680 1.00 0.00 H ATOM 718 N VAL A 172 -8.598 -15.530 15.805 1.00 11.24 N ATOM 719 CA VAL A 172 -8.932 -16.683 14.976 1.00 11.08 C ATOM 720 C VAL A 172 -9.851 -16.202 13.858 1.00 10.16 C ATOM 721 O VAL A 172 -10.890 -15.573 14.115 1.00 11.85 O ATOM 722 CB VAL A 172 -9.628 -17.775 15.810 1.00 12.07 C ATOM 723 CG1 VAL A 172 -9.906 -18.990 14.925 1.00 13.81 C ATOM 724 CG2 VAL A 172 -8.803 -18.141 17.038 1.00 15.21 C ATOM 725 H VAL A 172 -9.122 -15.361 16.688 1.00 0.00 H ATOM 726 N LEU A 173 -9.485 -16.515 12.619 1.00 10.44 N ATOM 727 CA LEU A 173 -10.250 -16.122 11.445 1.00 10.64 C ATOM 728 C LEU A 173 -10.831 -17.369 10.777 1.00 10.93 C ATOM 729 O LEU A 173 -10.103 -18.338 10.509 1.00 11.18 O ATOM 730 CB LEU A 173 -9.322 -15.404 10.468 1.00 12.44 C ATOM 731 CG LEU A 173 -9.973 -14.921 9.198 1.00 16.54 C ATOM 732 CD1 LEU A 173 -11.025 -13.869 9.520 1.00 17.79 C ATOM 733 CD2 LEU A 173 -8.895 -14.370 8.291 1.00 18.85 C ATOM 734 H LEU A 173 -8.613 -17.065 12.483 1.00 0.00 H ATOM 735 N ILE A 174 -12.130 -17.344 10.501 1.00 9.93 N ATOM 736 CA ILE A 174 -12.829 -18.469 9.888 1.00 9.97 C ATOM 737 C ILE A 174 -13.565 -17.951 8.661 1.00 9.76 C ATOM 738 O ILE A 174 -14.271 -16.941 8.748 1.00 11.05 O ATOM 739 CB ILE A 174 -13.823 -19.096 10.887 1.00 10.33 C ATOM 740 CG1 ILE A 174 -13.061 -19.672 12.084 1.00 12.18 C ATOM 741 CG2 ILE A 174 -14.725 -20.128 10.182 1.00 12.09 C ATOM 742 CD1 ILE A 174 -13.939 -19.972 13.316 1.00 13.32 C ATOM 743 H ILE A 174 -12.672 -16.487 10.731 1.00 0.00 H ATOM 744 N CYS A 175 -13.400 -18.631 7.515 1.00 9.83 N ATOM 745 CA CYS A 175 -14.123 -18.284 6.292 1.00 10.10 C ATOM 746 C CYS A 175 -14.820 -19.525 5.755 1.00 10.02 C ATOM 747 O CYS A 175 -14.267 -20.637 5.815 1.00 11.27 O ATOM 748 CB CYS A 175 -13.180 -17.752 5.192 1.00 12.28 C ATOM 749 SG CYS A 175 -12.216 -16.307 5.689 1.00 13.56 S ATOM 750 H CYS A 175 -12.736 -19.431 7.496 1.00 0.00 H ATOM 751 N THR A 176 -16.011 -19.336 5.191 1.00 10.25 N ATOM 752 CA THR A 176 -16.719 -20.435 4.549 1.00 10.38 C ATOM 753 C THR A 176 -17.600 -19.898 3.421 1.00 9.98 C ATOM 754 O THR A 176 -18.229 -18.853 3.564 1.00 11.57 O ATOM 755 CB THR A 176 -17.503 -21.267 5.581 1.00 11.63 C ATOM 756 OG1 THR A 176 -18.057 -22.403 4.907 1.00 14.26 O ATOM 757 CG2 THR A 176 -18.609 -20.454 6.306 1.00 12.86 C ATOM 758 HG1 THR A 176 -18.566 -22.953 5.554 1.00 0.00 H ATOM 759 H THR A 176 -16.442 -18.390 5.209 1.00 0.00 H ATOM 760 N VAL A 177 -17.647 -20.628 2.305 1.00 11.42 N ATOM 761 CA VAL A 177 -18.378 -20.187 1.112 1.00 11.27 C ATOM 762 C VAL A 177 -19.777 -20.812 1.063 1.00 10.88 C ATOM 763 O VAL A 177 -19.944 -22.025 1.259 1.00 12.44 O ATOM 764 CB VAL A 177 -17.593 -20.538 -0.166 1.00 11.82 C ATOM 765 CG1 VAL A 177 -18.467 -20.309 -1.409 1.00 14.51 C ATOM 766 CG2 VAL A 177 -16.319 -19.690 -0.276 1.00 12.68 C ATOM 767 H VAL A 177 -17.149 -21.540 2.280 1.00 0.00 H ATOM 768 N LYS A 178 -20.781 -19.992 0.757 1.00 11.63 N ATOM 769 CA LYS A 178 -22.115 -20.473 0.395 1.00 12.02 C ATOM 770 C LYS A 178 -22.343 -20.149 -1.080 1.00 11.57 C ATOM 771 O LYS A 178 -22.257 -18.979 -1.479 1.00 11.71 O ATOM 772 CB LYS A 178 -23.189 -19.775 1.227 1.00 13.51 C ATOM 773 CG LYS A 178 -24.579 -20.368 1.027 1.00 15.04 C ATOM 774 CD LYS A 178 -25.645 -19.688 1.895 1.00 16.66 C ATOM 775 CE LYS A 178 -26.994 -20.376 1.692 1.00 17.22 C ATOM 776 NZ LYS A 178 -28.150 -19.615 2.202 1.00 21.28 N ATOM 777 HZ1 LYS A 178 -28.038 -19.461 3.224 1.00 0.00 H ATOM 778 HZ2 LYS A 178 -28.201 -18.697 1.716 1.00 0.00 H ATOM 779 HZ3 LYS A 178 -29.023 -20.152 2.024 1.00 0.00 H ATOM 780 H LYS A 178 -20.610 -18.966 0.776 1.00 0.00 H ATOM 781 N ASP A 179 -22.634 -21.181 -1.888 1.00 13.55 N ATOM 782 CA ASP A 179 -23.019 -21.024 -3.298 1.00 13.30 C ATOM 783 C ASP A 179 -21.851 -20.632 -4.216 1.00 12.85 C ATOM 784 O ASP A 179 -21.343 -21.470 -4.966 1.00 13.97 O ATOM 785 CB ASP A 179 -24.256 -20.097 -3.418 1.00 13.72 C ATOM 786 CG ASP A 179 -24.685 -19.809 -4.855 1.00 13.42 C ATOM 787 OD1 ASP A 179 -24.238 -20.477 -5.805 1.00 15.24 O ATOM 788 OD2 ASP A 179 -25.526 -18.889 -5.004 1.00 14.60 O ATOM 789 H ASP A 179 -22.584 -22.143 -1.495 1.00 0.00 H ATOM 790 N GLU A 180 -21.444 -19.367 -4.209 1.00 12.19 N ATOM 791 CA GLU A 180 -20.450 -18.874 -5.160 1.00 12.27 C ATOM 792 C GLU A 180 -19.748 -17.704 -4.497 1.00 10.77 C ATOM 793 O GLU A 180 -20.411 -16.758 -4.053 1.00 13.21 O ATOM 794 CB GLU A 180 -21.113 -18.414 -6.479 1.00 12.52 C ATOM 795 CG GLU A 180 -20.264 -18.631 -7.728 1.00 12.49 C ATOM 796 CD GLU A 180 -18.910 -17.941 -7.660 1.00 13.36 C ATOM 797 OE1 GLU A 180 -18.849 -16.684 -7.686 1.00 12.61 O ATOM 798 OE2 GLU A 180 -17.897 -18.669 -7.562 1.00 13.92 O ATOM 799 H GLU A 180 -21.843 -18.711 -3.508 1.00 0.00 H ATOM 800 N GLY A 181 -18.414 -17.768 -4.413 1.00 10.92 N ATOM 801 CA GLY A 181 -17.658 -16.712 -3.763 1.00 11.02 C ATOM 802 C GLY A 181 -16.510 -16.151 -4.590 1.00 10.40 C ATOM 803 O GLY A 181 -15.711 -15.355 -4.082 1.00 11.38 O ATOM 804 H GLY A 181 -17.912 -18.584 -4.818 1.00 0.00 H ATOM 805 N SER A 182 -16.397 -16.555 -5.868 1.00 10.71 N ATOM 806 CA SER A 182 -15.202 -16.266 -6.650 1.00 11.12 C ATOM 807 C SER A 182 -15.375 -15.252 -7.775 1.00 10.16 C ATOM 808 O SER A 182 -14.375 -14.649 -8.168 1.00 11.31 O ATOM 809 CB SER A 182 -14.646 -17.547 -7.279 1.00 12.64 C ATOM 810 OG SER A 182 -15.464 -17.941 -8.369 1.00 12.64 O ATOM 811 HG SER A 182 -16.385 -18.107 -8.046 1.00 0.00 H ATOM 812 H SER A 182 -17.178 -17.084 -6.306 1.00 0.00 H ATOM 813 N PHE A 183 -16.593 -15.037 -8.298 1.00 10.68 N ATOM 814 CA PHE A 183 -16.728 -14.290 -9.552 1.00 10.08 C ATOM 815 C PHE A 183 -16.094 -12.912 -9.426 1.00 10.61 C ATOM 816 O PHE A 183 -15.379 -12.466 -10.331 1.00 11.45 O ATOM 817 CB PHE A 183 -18.209 -14.216 -9.961 1.00 12.18 C ATOM 818 CG PHE A 183 -18.486 -13.526 -11.290 1.00 10.87 C ATOM 819 CD1 PHE A 183 -17.511 -13.405 -12.293 1.00 12.80 C ATOM 820 CD2 PHE A 183 -19.758 -12.989 -11.534 1.00 12.31 C ATOM 821 CE1 PHE A 183 -17.816 -12.764 -13.514 1.00 12.14 C ATOM 822 CE2 PHE A 183 -20.043 -12.339 -12.719 1.00 13.18 C ATOM 823 CZ PHE A 183 -19.072 -12.234 -13.724 1.00 13.06 C ATOM 824 H PHE A 183 -17.439 -15.400 -7.814 1.00 0.00 H ATOM 825 N HIS A 184 -16.329 -12.236 -8.301 1.00 10.52 N ATOM 826 CA HIS A 184 -15.763 -10.920 -8.037 1.00 9.80 C ATOM 827 C HIS A 184 -14.815 -10.935 -6.841 1.00 10.30 C ATOM 828 O HIS A 184 -14.688 -9.938 -6.120 1.00 10.98 O ATOM 829 CB HIS A 184 -16.851 -9.846 -7.942 1.00 10.35 C ATOM 830 CG HIS A 184 -17.453 -9.555 -9.277 1.00 9.98 C ATOM 831 ND1 HIS A 184 -16.908 -8.625 -10.139 1.00 12.21 N ATOM 832 CD2 HIS A 184 -18.483 -10.140 -9.942 1.00 12.59 C ATOM 833 CE1 HIS A 184 -17.593 -8.635 -11.271 1.00 13.70 C ATOM 834 NE2 HIS A 184 -18.555 -9.538 -11.176 1.00 14.19 N ATOM 835 H HIS A 184 -16.943 -12.667 -7.581 1.00 0.00 H ATOM 836 N LEU A 185 -14.122 -12.055 -6.636 1.00 10.08 N ATOM 837 CA LEU A 185 -13.037 -12.116 -5.655 1.00 11.04 C ATOM 838 C LEU A 185 -11.771 -11.775 -6.427 1.00 11.35 C ATOM 839 O LEU A 185 -11.148 -12.636 -7.057 1.00 12.69 O ATOM 840 CB LEU A 185 -12.954 -13.493 -5.015 1.00 11.62 C ATOM 841 CG LEU A 185 -11.991 -13.624 -3.829 1.00 11.65 C ATOM 842 CD1 LEU A 185 -12.484 -12.806 -2.630 1.00 13.36 C ATOM 843 CD2 LEU A 185 -11.779 -15.097 -3.480 1.00 14.57 C ATOM 844 H LEU A 185 -14.358 -12.906 -7.186 1.00 0.00 H ATOM 845 N LYS A 186 -11.410 -10.494 -6.432 1.00 10.62 N ATOM 846 CA LYS A 186 -10.388 -10.021 -7.357 1.00 10.74 C ATOM 847 C LYS A 186 -8.980 -10.060 -6.744 1.00 10.91 C ATOM 848 O LYS A 186 -8.763 -10.584 -5.648 1.00 12.53 O ATOM 849 CB LYS A 186 -10.794 -8.680 -7.965 1.00 10.07 C ATOM 850 CG LYS A 186 -12.134 -8.734 -8.717 1.00 11.52 C ATOM 851 CD LYS A 186 -12.210 -9.928 -9.666 1.00 11.44 C ATOM 852 CE LYS A 186 -13.209 -9.649 -10.791 1.00 11.09 C ATOM 853 NZ LYS A 186 -13.462 -10.867 -11.620 1.00 12.26 N ATOM 854 HZ1 LYS A 186 -12.569 -11.186 -12.046 1.00 0.00 H ATOM 855 HZ2 LYS A 186 -13.849 -11.621 -11.017 1.00 0.00 H ATOM 856 HZ3 LYS A 186 -14.144 -10.638 -12.371 1.00 0.00 H ATOM 857 H LYS A 186 -11.859 -9.827 -5.772 1.00 0.00 H ATOM 858 N ASP A 187 -7.997 -9.498 -7.454 1.00 12.76 N ATOM 859 CA ASP A 187 -6.599 -9.796 -7.132 1.00 14.15 C ATOM 860 C ASP A 187 -6.180 -9.289 -5.747 1.00 13.23 C ATOM 861 O ASP A 187 -5.390 -9.949 -5.057 1.00 13.47 O ATOM 862 CB ASP A 187 -5.662 -9.214 -8.192 1.00 17.10 C ATOM 863 CG ASP A 187 -5.689 -9.989 -9.499 1.00 21.67 C ATOM 864 OD1 ASP A 187 -6.351 -11.045 -9.568 1.00 24.00 O ATOM 865 OD2 ASP A 187 -5.016 -9.539 -10.455 1.00 25.97 O ATOM 866 H ASP A 187 -8.224 -8.849 -8.235 1.00 0.00 H ATOM 867 N THR A 188 -6.643 -8.104 -5.333 1.00 13.61 N ATOM 868 CA THR A 188 -6.224 -7.601 -4.024 1.00 14.33 C ATOM 869 C THR A 188 -6.728 -8.500 -2.900 1.00 13.40 C ATOM 870 O THR A 188 -5.977 -8.831 -1.970 1.00 12.98 O ATOM 871 CB THR A 188 -6.690 -6.164 -3.830 1.00 15.81 C ATOM 872 OG1 THR A 188 -6.102 -5.347 -4.849 1.00 19.22 O ATOM 873 CG2 THR A 188 -6.279 -5.629 -2.457 1.00 16.54 C ATOM 874 HG1 THR A 188 -6.399 -4.410 -4.731 1.00 0.00 H ATOM 875 H THR A 188 -7.289 -7.550 -5.931 1.00 0.00 H ATOM 876 N ALA A 189 -7.991 -8.913 -2.975 1.00 11.90 N ATOM 877 CA ALA A 189 -8.532 -9.822 -1.972 1.00 11.08 C ATOM 878 C ALA A 189 -7.829 -11.170 -1.997 1.00 11.18 C ATOM 879 O ALA A 189 -7.517 -11.736 -0.939 1.00 12.20 O ATOM 880 CB ALA A 189 -10.032 -9.988 -2.189 1.00 12.28 C ATOM 881 H ALA A 189 -8.596 -8.585 -3.755 1.00 0.00 H ATOM 882 N LYS A 190 -7.555 -11.701 -3.190 1.00 11.81 N ATOM 883 CA LYS A 190 -6.847 -12.977 -3.263 1.00 12.14 C ATOM 884 C LYS A 190 -5.440 -12.859 -2.689 1.00 12.54 C ATOM 885 O LYS A 190 -4.962 -13.769 -2.003 1.00 13.61 O ATOM 886 CB LYS A 190 -6.829 -13.476 -4.702 1.00 12.62 C ATOM 887 CG LYS A 190 -8.172 -14.058 -5.100 1.00 13.26 C ATOM 888 CD LYS A 190 -8.202 -14.708 -6.470 1.00 17.74 C ATOM 889 CE LYS A 190 -9.421 -15.664 -6.519 1.00 19.64 C ATOM 890 NZ LYS A 190 -9.554 -16.547 -7.709 1.00 21.81 N ATOM 891 HZ1 LYS A 190 -9.627 -15.963 -8.566 1.00 0.00 H ATOM 892 HZ2 LYS A 190 -8.718 -17.162 -7.778 1.00 0.00 H ATOM 893 HZ3 LYS A 190 -10.409 -17.131 -7.612 1.00 0.00 H ATOM 894 H LYS A 190 -7.843 -11.211 -4.061 1.00 0.00 H ATOM 895 N ALA A 191 -4.765 -11.734 -2.946 1.00 13.40 N ATOM 896 CA ALA A 191 -3.436 -11.522 -2.384 1.00 14.08 C ATOM 897 C ALA A 191 -3.493 -11.444 -0.861 1.00 13.87 C ATOM 898 O ALA A 191 -2.605 -11.961 -0.168 1.00 15.72 O ATOM 899 CB ALA A 191 -2.826 -10.246 -2.964 1.00 17.50 C ATOM 900 H ALA A 191 -5.191 -11.004 -3.552 1.00 0.00 H ATOM 901 N LEU A 192 -4.538 -10.813 -0.319 1.00 13.81 N ATOM 902 CA LEU A 192 -4.689 -10.773 1.132 1.00 13.96 C ATOM 903 C LEU A 192 -4.895 -12.175 1.696 1.00 13.51 C ATOM 904 O LEU A 192 -4.253 -12.554 2.683 1.00 14.51 O ATOM 905 CB LEU A 192 -5.850 -9.846 1.494 1.00 13.72 C ATOM 906 CG LEU A 192 -6.066 -9.599 2.977 1.00 14.83 C ATOM 907 CD1 LEU A 192 -4.775 -9.132 3.595 1.00 20.24 C ATOM 908 CD2 LEU A 192 -7.159 -8.559 3.191 1.00 16.56 C ATOM 909 H LEU A 192 -5.242 -10.351 -0.929 1.00 0.00 H ATOM 910 N LEU A 193 -5.750 -12.979 1.057 1.00 11.98 N ATOM 911 CA LEU A 193 -5.946 -14.346 1.531 1.00 12.97 C ATOM 912 C LEU A 193 -4.646 -15.134 1.463 1.00 13.98 C ATOM 913 O LEU A 193 -4.319 -15.887 2.392 1.00 13.97 O ATOM 914 CB LEU A 193 -7.055 -15.051 0.741 1.00 13.18 C ATOM 915 CG LEU A 193 -8.449 -14.427 0.890 1.00 13.68 C ATOM 916 CD1 LEU A 193 -9.433 -15.147 0.010 1.00 15.46 C ATOM 917 CD2 LEU A 193 -8.923 -14.451 2.335 1.00 15.77 C ATOM 918 H LEU A 193 -6.273 -12.633 0.227 1.00 0.00 H ATOM 919 N ARG A 194 -3.868 -14.942 0.394 1.00 13.58 N ATOM 920 CA ARG A 194 -2.572 -15.604 0.290 1.00 14.20 C ATOM 921 C ARG A 194 -1.662 -15.200 1.442 1.00 15.82 C ATOM 922 O ARG A 194 -0.930 -16.037 1.994 1.00 16.62 O ATOM 923 CB ARG A 194 -1.933 -15.256 -1.054 1.00 15.78 C ATOM 924 CG ARG A 194 -0.634 -15.983 -1.339 1.00 19.30 C ATOM 925 CD ARG A 194 -0.085 -15.597 -2.718 1.00 23.45 C ATOM 926 NE ARG A 194 -0.933 -16.074 -3.818 1.00 29.28 N ATOM 927 CZ ARG A 194 -1.667 -15.305 -4.630 1.00 33.22 C ATOM 928 NH1 ARG A 194 -1.690 -13.979 -4.505 1.00 33.67 N ATOM 929 NH2 ARG A 194 -2.388 -15.875 -5.588 1.00 34.78 N ATOM 930 HE ARG A 194 -0.966 -17.101 -3.980 1.00 0.00 H ATOM 931 HH12 ARG A 194 -2.270 -13.406 -5.151 1.00 0.00 H ATOM 932 HH11 ARG A 194 -1.128 -13.517 -3.762 1.00 0.00 H ATOM 933 HH22 ARG A 194 -2.963 -15.288 -6.226 1.00 0.00 H ATOM 934 HH21 ARG A 194 -2.378 -16.909 -5.701 1.00 0.00 H ATOM 935 H ARG A 194 -4.189 -14.315 -0.371 1.00 0.00 H ATOM 936 N SER A 195 -1.696 -13.918 1.828 1.00 17.41 N ATOM 937 CA SER A 195 -0.838 -13.442 2.906 1.00 18.97 C ATOM 938 C SER A 195 -1.196 -14.073 4.248 1.00 19.51 C ATOM 939 O SER A 195 -0.339 -14.119 5.136 1.00 22.47 O ATOM 940 CB SER A 195 -0.860 -11.909 3.003 1.00 22.56 C ATOM 941 OG SER A 195 -2.026 -11.437 3.659 1.00 23.74 O ATOM 942 HG SER A 195 -2.827 -11.728 3.155 1.00 0.00 H ATOM 943 H SER A 195 -2.342 -13.255 1.353 1.00 0.00 H ATOM 944 N LEU A 196 -2.436 -14.555 4.415 1.00 20.17 N ATOM 945 CA LEU A 196 -2.830 -15.286 5.614 1.00 22.46 C ATOM 946 C LEU A 196 -2.321 -16.716 5.621 1.00 22.07 C ATOM 947 O LEU A 196 -2.426 -17.391 6.651 1.00 23.25 O ATOM 948 CB LEU A 196 -4.353 -15.356 5.750 1.00 26.29 C ATOM 949 CG LEU A 196 -5.093 -14.041 5.666 1.00 28.10 C ATOM 950 CD1 LEU A 196 -6.580 -14.329 5.718 1.00 29.66 C ATOM 951 CD2 LEU A 196 -4.677 -13.121 6.800 1.00 30.68 C ATOM 952 H LEU A 196 -3.140 -14.403 3.665 1.00 0.00 H ATOM 953 N GLY A 197 -1.796 -17.195 4.501 1.00 18.41 N ATOM 954 CA GLY A 197 -1.391 -18.577 4.373 1.00 17.78 C ATOM 955 C GLY A 197 -2.421 -19.453 3.712 1.00 17.48 C ATOM 956 O GLY A 197 -2.177 -20.658 3.554 1.00 19.64 O ATOM 957 H GLY A 197 -1.672 -16.556 3.690 1.00 0.00 H ATOM 958 N SER A 198 -3.557 -18.889 3.301 1.00 16.52 N ATOM 959 CA SER A 198 -4.572 -19.696 2.640 1.00 15.99 C ATOM 960 C SER A 198 -4.047 -20.217 1.310 1.00 16.51 C ATOM 961 O SER A 198 -3.482 -19.461 0.509 1.00 17.08 O ATOM 962 CB SER A 198 -5.839 -18.878 2.387 1.00 15.62 C ATOM 963 OG SER A 198 -6.765 -19.648 1.641 1.00 15.22 O ATOM 964 HG SER A 198 -6.998 -20.465 2.149 1.00 0.00 H ATOM 965 H SER A 198 -3.718 -17.873 3.453 1.00 0.00 H ATOM 966 N GLN A 199 -4.252 -21.511 1.067 1.00 17.68 N ATOM 967 CA GLN A 199 -3.894 -22.100 -0.217 1.00 20.05 C ATOM 968 C GLN A 199 -5.046 -22.047 -1.209 1.00 18.89 C ATOM 969 O GLN A 199 -4.831 -21.765 -2.397 1.00 23.95 O ATOM 970 CB GLN A 199 -3.445 -23.555 -0.029 1.00 25.05 C ATOM 971 CG GLN A 199 -2.289 -23.718 0.924 1.00 29.92 C ATOM 972 CD GLN A 199 -1.056 -22.991 0.440 1.00 35.14 C ATOM 973 OE1 GLN A 199 -0.500 -23.325 -0.605 1.00 39.05 O ATOM 974 NE2 GLN A 199 -0.636 -21.970 1.183 1.00 35.19 N ATOM 975 HE22 GLN A 199 -1.138 -21.724 2.060 1.00 0.00 H ATOM 976 HE21 GLN A 199 0.194 -21.418 0.887 1.00 0.00 H ATOM 977 H GLN A 199 -4.674 -22.110 1.805 1.00 0.00 H ATOM 978 N ALA A 200 -6.268 -22.304 -0.740 1.00 17.04 N ATOM 979 CA ALA A 200 -7.426 -22.397 -1.619 1.00 18.18 C ATOM 980 C ALA A 200 -8.081 -21.050 -1.883 1.00 17.06 C ATOM 981 O ALA A 200 -8.610 -20.828 -2.981 1.00 17.64 O ATOM 982 CB ALA A 200 -8.456 -23.361 -1.018 1.00 19.02 C ATOM 983 H ALA A 200 -6.398 -22.442 0.283 1.00 0.00 H ATOM 984 N GLY A 201 -8.069 -20.151 -0.907 1.00 16.82 N ATOM 985 CA GLY A 201 -8.642 -18.838 -1.095 1.00 16.28 C ATOM 986 C GLY A 201 -8.129 -18.113 -2.329 1.00 15.00 C ATOM 987 O GLY A 201 -8.907 -17.635 -3.159 1.00 14.83 O ATOM 988 H GLY A 201 -7.640 -20.396 0.008 1.00 0.00 H ATOM 989 N PRO A 202 -6.804 -18.010 -2.486 1.00 14.61 N ATOM 990 CA PRO A 202 -6.282 -17.308 -3.669 1.00 16.28 C ATOM 991 C PRO A 202 -6.574 -18.033 -4.968 1.00 16.74 C ATOM 992 O PRO A 202 -6.464 -17.427 -6.036 1.00 20.79 O ATOM 993 CB PRO A 202 -4.772 -17.231 -3.409 1.00 16.71 C ATOM 994 CG PRO A 202 -4.617 -17.482 -1.970 1.00 18.25 C ATOM 995 CD PRO A 202 -5.739 -18.335 -1.522 1.00 16.61 C ATOM 996 N ALA A 203 -6.942 -19.307 -4.906 1.00 16.66 N ATOM 997 CA ALA A 203 -7.247 -20.124 -6.067 1.00 18.33 C ATOM 998 C ALA A 203 -8.749 -20.297 -6.286 1.00 17.12 C ATOM 999 O ALA A 203 -9.152 -21.023 -7.201 1.00 19.24 O ATOM 1000 CB ALA A 203 -6.588 -21.497 -5.898 1.00 21.86 C ATOM 1001 H ALA A 203 -7.017 -19.748 -3.967 1.00 0.00 H ATOM 1002 N LEU A 204 -9.579 -19.627 -5.495 1.00 14.87 N ATOM 1003 CA LEU A 204 -11.009 -19.933 -5.482 1.00 13.54 C ATOM 1004 C LEU A 204 -11.634 -19.702 -6.852 1.00 15.36 C ATOM 1005 O LEU A 204 -11.440 -18.651 -7.470 1.00 14.47 O ATOM 1006 CB LEU A 204 -11.728 -19.083 -4.435 1.00 13.02 C ATOM 1007 CG LEU A 204 -13.130 -19.593 -4.094 1.00 12.94 C ATOM 1008 CD1 LEU A 204 -13.063 -20.877 -3.262 1.00 15.22 C ATOM 1009 CD2 LEU A 204 -13.938 -18.494 -3.372 1.00 13.11 C ATOM 1010 H LEU A 204 -9.208 -18.876 -4.878 1.00 0.00 H ATOM 1011 N GLY A 205 -12.405 -20.685 -7.315 1.00 14.23 N ATOM 1012 CA GLY A 205 -13.035 -20.631 -8.615 1.00 14.79 C ATOM 1013 C GLY A 205 -14.542 -20.808 -8.549 1.00 14.06 C ATOM 1014 O GLY A 205 -15.138 -20.933 -7.476 1.00 14.42 O ATOM 1015 H GLY A 205 -12.559 -21.523 -6.719 1.00 0.00 H ATOM 1016 N TRP A 206 -15.137 -20.839 -9.741 1.00 14.25 N ATOM 1017 CA TRP A 206 -16.583 -20.757 -9.909 1.00 14.27 C ATOM 1018 C TRP A 206 -17.277 -21.884 -9.163 1.00 14.32 C ATOM 1019 O TRP A 206 -17.067 -23.061 -9.477 1.00 16.47 O ATOM 1020 CB TRP A 206 -16.906 -20.836 -11.404 1.00 15.30 C ATOM 1021 CG TRP A 206 -18.367 -20.837 -11.740 1.00 15.92 C ATOM 1022 CD1 TRP A 206 -19.130 -21.921 -12.105 1.00 18.49 C ATOM 1023 CD2 TRP A 206 -19.233 -19.702 -11.797 1.00 16.74 C ATOM 1024 NE1 TRP A 206 -20.417 -21.519 -12.377 1.00 19.76 N ATOM 1025 CE2 TRP A 206 -20.506 -20.162 -12.191 1.00 17.72 C ATOM 1026 CE3 TRP A 206 -19.059 -18.342 -11.536 1.00 16.24 C ATOM 1027 CZ2 TRP A 206 -21.597 -19.304 -12.333 1.00 18.75 C ATOM 1028 CZ3 TRP A 206 -20.134 -17.490 -11.691 1.00 17.55 C ATOM 1029 CH2 TRP A 206 -21.384 -17.969 -12.103 1.00 17.10 C ATOM 1030 HE1 TRP A 206 -21.195 -22.141 -12.675 1.00 0.00 H ATOM 1031 H TRP A 206 -14.543 -20.926 -10.590 1.00 0.00 H ATOM 1032 N ARG A 207 -18.102 -21.512 -8.179 1.00 14.46 N ATOM 1033 CA ARG A 207 -18.925 -22.434 -7.392 1.00 13.94 C ATOM 1034 C ARG A 207 -18.107 -23.444 -6.588 1.00 13.35 C ATOM 1035 O ARG A 207 -18.657 -24.461 -6.143 1.00 15.34 O ATOM 1036 CB ARG A 207 -20.009 -23.120 -8.246 1.00 14.33 C ATOM 1037 CG ARG A 207 -21.038 -22.129 -8.816 1.00 13.64 C ATOM 1038 CD ARG A 207 -22.043 -22.845 -9.706 1.00 14.06 C ATOM 1039 NE ARG A 207 -23.168 -21.978 -10.050 1.00 15.20 N ATOM 1040 CZ ARG A 207 -24.181 -22.368 -10.818 1.00 15.91 C ATOM 1041 NH1 ARG A 207 -25.194 -21.546 -11.053 1.00 17.57 N ATOM 1042 NH2 ARG A 207 -24.164 -23.578 -11.366 1.00 18.89 N ATOM 1043 HE ARG A 207 -23.177 -21.008 -9.676 1.00 0.00 H ATOM 1044 HH12 ARG A 207 -25.985 -21.854 -11.654 1.00 0.00 H ATOM 1045 HH11 ARG A 207 -25.198 -20.593 -10.636 1.00 0.00 H ATOM 1046 HH22 ARG A 207 -24.954 -23.888 -11.967 1.00 0.00 H ATOM 1047 HH21 ARG A 207 -23.361 -24.216 -11.194 1.00 0.00 H ATOM 1048 H ARG A 207 -18.164 -20.498 -7.957 1.00 0.00 H ATOM 1049 N ASP A 208 -16.813 -23.182 -6.378 1.00 14.62 N ATOM 1050 CA ASP A 208 -16.016 -23.999 -5.471 1.00 14.52 C ATOM 1051 C ASP A 208 -16.517 -23.819 -4.036 1.00 13.25 C ATOM 1052 O ASP A 208 -16.990 -22.750 -3.647 1.00 14.01 O ATOM 1053 CB ASP A 208 -14.550 -23.543 -5.455 1.00 15.05 C ATOM 1054 CG ASP A 208 -13.788 -23.838 -6.725 1.00 15.28 C ATOM 1055 OD1 ASP A 208 -14.330 -24.452 -7.664 1.00 17.51 O ATOM 1056 OD2 ASP A 208 -12.610 -23.424 -6.747 1.00 16.93 O ATOM 1057 H ASP A 208 -16.367 -22.382 -6.870 1.00 0.00 H ATOM 1058 N THR A 209 -16.386 -24.864 -3.231 1.00 14.08 N ATOM 1059 CA THR A 209 -16.607 -24.754 -1.796 1.00 13.54 C ATOM 1060 C THR A 209 -15.254 -24.625 -1.094 1.00 14.22 C ATOM 1061 O THR A 209 -14.219 -25.074 -1.599 1.00 14.26 O ATOM 1062 CB THR A 209 -17.365 -25.976 -1.283 1.00 14.93 C ATOM 1063 OG1 THR A 209 -16.629 -27.150 -1.636 1.00 16.65 O ATOM 1064 CG2 THR A 209 -18.766 -26.053 -1.893 1.00 15.40 C ATOM 1065 HG1 THR A 209 -17.110 -27.951 -1.309 1.00 0.00 H ATOM 1066 H THR A 209 -16.119 -25.785 -3.634 1.00 0.00 H ATOM 1067 N TRP A 210 -15.266 -23.988 0.068 1.00 12.75 N ATOM 1068 CA TRP A 210 -14.032 -23.614 0.753 1.00 12.86 C ATOM 1069 C TRP A 210 -14.347 -23.354 2.217 1.00 11.27 C ATOM 1070 O TRP A 210 -15.260 -22.581 2.537 1.00 12.26 O ATOM 1071 CB TRP A 210 -13.420 -22.355 0.110 1.00 12.29 C ATOM 1072 CG TRP A 210 -12.212 -21.793 0.839 1.00 12.62 C ATOM 1073 CD1 TRP A 210 -11.113 -22.487 1.278 1.00 13.74 C ATOM 1074 CD2 TRP A 210 -11.982 -20.421 1.196 1.00 12.21 C ATOM 1075 NE1 TRP A 210 -10.221 -21.630 1.881 1.00 14.50 N ATOM 1076 CE2 TRP A 210 -10.733 -20.356 1.840 1.00 12.32 C ATOM 1077 CE3 TRP A 210 -12.713 -19.243 1.028 1.00 12.84 C ATOM 1078 CZ2 TRP A 210 -10.210 -19.166 2.330 1.00 12.92 C ATOM 1079 CZ3 TRP A 210 -12.178 -18.055 1.506 1.00 13.42 C ATOM 1080 CH2 TRP A 210 -10.948 -18.024 2.151 1.00 12.58 C ATOM 1081 HE1 TRP A 210 -9.309 -21.902 2.299 1.00 0.00 H ATOM 1082 H TRP A 210 -16.179 -23.748 0.504 1.00 0.00 H ATOM 1083 N ALA A 211 -13.565 -23.976 3.101 1.00 12.14 N ATOM 1084 CA ALA A 211 -13.658 -23.784 4.539 1.00 12.87 C ATOM 1085 C ALA A 211 -12.249 -23.526 5.054 1.00 13.01 C ATOM 1086 O ALA A 211 -11.305 -24.228 4.667 1.00 14.69 O ATOM 1087 CB ALA A 211 -14.243 -25.037 5.215 1.00 14.01 C ATOM 1088 H ALA A 211 -12.847 -24.637 2.740 1.00 0.00 H ATOM 1089 N PHE A 212 -12.099 -22.540 5.939 1.00 11.97 N ATOM 1090 CA PHE A 212 -10.781 -22.070 6.354 1.00 12.74 C ATOM 1091 C PHE A 212 -10.813 -21.688 7.829 1.00 11.40 C ATOM 1092 O PHE A 212 -11.748 -21.025 8.280 1.00 12.50 O ATOM 1093 CB PHE A 212 -10.381 -20.817 5.541 1.00 13.18 C ATOM 1094 CG PHE A 212 -9.128 -20.133 6.030 1.00 14.21 C ATOM 1095 CD1 PHE A 212 -9.195 -19.127 6.993 1.00 15.16 C ATOM 1096 CD2 PHE A 212 -7.879 -20.483 5.519 1.00 14.91 C ATOM 1097 CE1 PHE A 212 -8.038 -18.493 7.450 1.00 16.22 C ATOM 1098 CE2 PHE A 212 -6.709 -19.846 5.967 1.00 15.13 C ATOM 1099 CZ PHE A 212 -6.794 -18.853 6.940 1.00 16.48 C ATOM 1100 H PHE A 212 -12.946 -22.093 6.345 1.00 0.00 H ATOM 1101 N VAL A 213 -9.774 -22.081 8.575 1.00 11.59 N ATOM 1102 CA VAL A 213 -9.580 -21.609 9.947 1.00 11.37 C ATOM 1103 C VAL A 213 -8.096 -21.328 10.140 1.00 11.10 C ATOM 1104 O VAL A 213 -7.263 -22.218 9.925 1.00 12.45 O ATOM 1105 CB VAL A 213 -10.018 -22.656 10.996 1.00 15.90 C ATOM 1106 CG1 VAL A 213 -9.865 -22.077 12.416 1.00 16.51 C ATOM 1107 CG2 VAL A 213 -11.408 -23.185 10.702 1.00 19.54 C ATOM 1108 H VAL A 213 -9.083 -22.742 8.167 1.00 0.00 H ATOM 1109 N GLY A 214 -7.760 -20.121 10.604 1.00 11.07 N ATOM 1110 CA GLY A 214 -6.366 -19.780 10.840 1.00 13.24 C ATOM 1111 C GLY A 214 -6.224 -18.623 11.798 1.00 14.34 C ATOM 1112 O GLY A 214 -7.180 -17.898 12.057 1.00 15.35 O ATOM 1113 H GLY A 214 -8.502 -19.419 10.798 1.00 0.00 H ATOM 1114 N ARG A 215 -5.021 -18.463 12.353 1.00 13.36 N ATOM 1115 CA ARG A 215 -4.730 -17.254 13.110 1.00 14.05 C ATOM 1116 C ARG A 215 -4.468 -16.140 12.110 1.00 15.16 C ATOM 1117 O ARG A 215 -3.765 -16.356 11.122 1.00 19.59 O ATOM 1118 CB ARG A 215 -3.522 -17.469 14.021 1.00 14.56 C ATOM 1119 CG ARG A 215 -3.116 -16.243 14.824 1.00 15.11 C ATOM 1120 CD ARG A 215 -1.967 -16.551 15.787 1.00 17.33 C ATOM 1121 NE ARG A 215 -1.460 -15.331 16.416 1.00 19.91 N ATOM 1122 CZ ARG A 215 -0.630 -14.471 15.826 1.00 21.21 C ATOM 1123 NH1 ARG A 215 -0.167 -14.708 14.594 1.00 23.21 N ATOM 1124 NH2 ARG A 215 -0.235 -13.375 16.464 1.00 22.71 N ATOM 1125 HE ARG A 215 -1.767 -15.121 17.387 1.00 0.00 H ATOM 1126 HH12 ARG A 215 0.480 -14.031 14.142 1.00 0.00 H ATOM 1127 HH11 ARG A 215 -0.454 -15.570 14.087 1.00 0.00 H ATOM 1128 HH22 ARG A 215 0.413 -12.707 15.999 1.00 0.00 H ATOM 1129 HH21 ARG A 215 -0.573 -13.184 17.429 1.00 0.00 H ATOM 1130 H ARG A 215 -4.294 -19.199 12.245 1.00 0.00 H ATOM 1131 N LYS A 216 -5.056 -14.959 12.350 1.00 14.34 N ATOM 1132 CA LYS A 216 -5.037 -13.895 11.349 1.00 20.01 C ATOM 1133 C LYS A 216 -3.623 -13.600 10.898 1.00 20.70 C ATOM 1134 O LYS A 216 -3.362 -13.447 9.695 1.00 23.39 O ATOM 1135 CB LYS A 216 -5.662 -12.622 11.930 1.00 21.39 C ATOM 1136 CG LYS A 216 -5.309 -11.310 11.163 1.00 27.16 C ATOM 1137 CD LYS A 216 -6.280 -11.006 10.049 1.00 28.30 C ATOM 1138 CE LYS A 216 -5.738 -9.951 9.065 1.00 25.48 C ATOM 1139 NZ LYS A 216 -5.377 -8.593 9.633 1.00 23.39 N ATOM 1140 HZ1 LYS A 216 -6.220 -8.164 10.064 1.00 0.00 H ATOM 1141 HZ2 LYS A 216 -4.637 -8.706 10.355 1.00 0.00 H ATOM 1142 HZ3 LYS A 216 -5.027 -7.981 8.869 1.00 0.00 H ATOM 1143 H LYS A 216 -5.532 -14.798 13.261 1.00 0.00 H ATOM 1144 N GLY A 217 -2.690 -13.525 11.849 1.00 19.56 N ATOM 1145 CA GLY A 217 -1.298 -13.288 11.509 1.00 22.44 C ATOM 1146 C GLY A 217 -0.478 -14.549 11.300 1.00 23.79 C ATOM 1147 O GLY A 217 0.762 -14.495 11.310 1.00 25.35 O ATOM 1148 H GLY A 217 -2.963 -13.638 12.846 1.00 0.00 H ATOM 1149 N GLY A 218 -1.151 -15.687 11.102 1.00 22.25 N ATOM 1150 CA GLY A 218 -0.494 -16.961 10.814 1.00 21.23 C ATOM 1151 C GLY A 218 -0.251 -17.731 12.095 1.00 19.34 C ATOM 1152 O GLY A 218 -0.134 -17.127 13.187 1.00 21.21 O ATOM 1153 H GLY A 218 -2.189 -15.665 11.155 1.00 0.00 H ATOM 1154 N PRO A 219 -0.204 -19.068 12.012 1.00 18.45 N ATOM 1155 CA PRO A 219 -0.365 -19.956 10.858 1.00 16.11 C ATOM 1156 C PRO A 219 -1.822 -20.358 10.601 1.00 15.11 C ATOM 1157 O PRO A 219 -2.714 -20.094 11.427 1.00 15.42 O ATOM 1158 CB PRO A 219 0.390 -21.202 11.298 1.00 18.63 C ATOM 1159 CG PRO A 219 0.120 -21.265 12.756 1.00 19.39 C ATOM 1160 CD PRO A 219 0.089 -19.833 13.238 1.00 19.27 C ATOM 1161 N VAL A 220 -2.052 -20.981 9.440 1.00 16.47 N ATOM 1162 CA VAL A 220 -3.333 -21.621 9.152 1.00 16.30 C ATOM 1163 C VAL A 220 -3.450 -22.879 9.995 1.00 14.22 C ATOM 1164 O VAL A 220 -2.476 -23.625 10.149 1.00 17.00 O ATOM 1165 CB VAL A 220 -3.389 -21.972 7.653 1.00 16.24 C ATOM 1166 CG1 VAL A 220 -4.690 -22.709 7.300 1.00 16.80 C ATOM 1167 CG2 VAL A 220 -3.220 -20.725 6.817 1.00 18.88 C ATOM 1168 H VAL A 220 -1.299 -21.011 8.723 1.00 0.00 H ATOM 1169 N PHE A 221 -4.645 -23.136 10.530 1.00 13.08 N ATOM 1170 CA PHE A 221 -4.895 -24.343 11.317 1.00 13.36 C ATOM 1171 C PHE A 221 -5.585 -25.446 10.524 1.00 14.36 C ATOM 1172 O PHE A 221 -5.270 -26.628 10.718 1.00 17.87 O ATOM 1173 CB PHE A 221 -5.701 -24.006 12.582 1.00 14.30 C ATOM 1174 CG PHE A 221 -5.019 -23.007 13.484 1.00 13.96 C ATOM 1175 CD1 PHE A 221 -3.717 -23.220 13.914 1.00 14.91 C ATOM 1176 CD2 PHE A 221 -5.668 -21.841 13.866 1.00 14.08 C ATOM 1177 CE1 PHE A 221 -3.087 -22.301 14.756 1.00 15.21 C ATOM 1178 CE2 PHE A 221 -5.041 -20.896 14.680 1.00 13.67 C ATOM 1179 CZ PHE A 221 -3.750 -21.121 15.122 1.00 14.56 C ATOM 1180 H PHE A 221 -5.421 -22.459 10.383 1.00 0.00 H ATOM 1181 N GLY A 222 -6.536 -25.096 9.658 1.00 13.82 N ATOM 1182 CA GLY A 222 -7.195 -26.077 8.814 1.00 14.58 C ATOM 1183 C GLY A 222 -7.752 -25.422 7.570 1.00 13.85 C ATOM 1184 O GLY A 222 -8.106 -24.242 7.578 1.00 14.41 O ATOM 1185 H GLY A 222 -6.813 -24.096 9.585 1.00 0.00 H ATOM 1186 N GLU A 223 -7.842 -26.196 6.497 1.00 14.21 N ATOM 1187 CA GLU A 223 -8.419 -25.687 5.262 1.00 14.96 C ATOM 1188 C GLU A 223 -8.897 -26.859 4.413 1.00 14.94 C ATOM 1189 O GLU A 223 -8.196 -27.874 4.311 1.00 18.28 O ATOM 1190 CB GLU A 223 -7.375 -24.867 4.494 1.00 16.73 C ATOM 1191 CG GLU A 223 -7.912 -24.156 3.263 1.00 17.78 C ATOM 1192 CD GLU A 223 -6.946 -23.104 2.732 1.00 19.41 C ATOM 1193 OE1 GLU A 223 -5.710 -23.253 2.846 1.00 22.50 O ATOM 1194 OE2 GLU A 223 -7.410 -22.104 2.185 1.00 19.25 O ATOM 1195 H GLU A 223 -7.497 -27.176 6.539 1.00 0.00 H ATOM 1196 N LYS A 224 -10.078 -26.707 3.796 1.00 14.60 N ATOM 1197 CA LYS A 224 -10.592 -27.672 2.823 1.00 15.22 C ATOM 1198 C LYS A 224 -11.205 -26.924 1.647 1.00 15.94 C ATOM 1199 O LYS A 224 -11.687 -25.803 1.801 1.00 16.70 O ATOM 1200 CB LYS A 224 -11.684 -28.560 3.411 1.00 17.16 C ATOM 1201 CG LYS A 224 -11.176 -29.646 4.308 1.00 20.30 C ATOM 1202 CD LYS A 224 -12.313 -30.594 4.683 1.00 21.84 C ATOM 1203 CE LYS A 224 -11.774 -31.799 5.442 1.00 23.27 C ATOM 1204 NZ LYS A 224 -12.842 -32.778 5.777 1.00 23.92 N ATOM 1205 HZ1 LYS A 224 -13.560 -32.316 6.372 1.00 0.00 H ATOM 1206 HZ2 LYS A 224 -13.284 -33.120 4.900 1.00 0.00 H ATOM 1207 HZ3 LYS A 224 -12.426 -33.580 6.293 1.00 0.00 H ATOM 1208 H LYS A 224 -10.652 -25.869 4.018 1.00 0.00 H ATOM 1209 N HIS A 225 -11.222 -27.575 0.480 1.00 16.63 N ATOM 1210 CA HIS A 225 -11.625 -26.938 -0.768 1.00 17.98 C ATOM 1211 C HIS A 225 -12.097 -28.042 -1.701 1.00 19.68 C ATOM 1212 O HIS A 225 -11.431 -29.074 -1.817 1.00 22.65 O ATOM 1213 CB HIS A 225 -10.388 -26.218 -1.348 1.00 19.86 C ATOM 1214 CG HIS A 225 -10.578 -25.601 -2.703 1.00 18.64 C ATOM 1215 ND1 HIS A 225 -9.630 -25.716 -3.694 1.00 23.84 N ATOM 1216 CD2 HIS A 225 -11.567 -24.831 -3.219 1.00 18.49 C ATOM 1217 CE1 HIS A 225 -10.037 -25.067 -4.772 1.00 23.05 C ATOM 1218 NE2 HIS A 225 -11.211 -24.520 -4.508 1.00 20.04 N ATOM 1219 H HIS A 225 -10.937 -28.575 0.461 1.00 0.00 H ATOM 1220 N SER A 226 -13.242 -27.839 -2.352 1.00 17.10 N ATOM 1221 CA SER A 226 -13.695 -28.731 -3.416 1.00 17.87 C ATOM 1222 C SER A 226 -13.942 -27.910 -4.676 1.00 16.41 C ATOM 1223 O SER A 226 -14.758 -26.982 -4.670 1.00 17.10 O ATOM 1224 CB SER A 226 -14.966 -29.485 -3.012 1.00 19.25 C ATOM 1225 OG SER A 226 -15.405 -30.336 -4.070 1.00 22.44 O ATOM 1226 HG SER A 226 -14.695 -30.993 -4.279 1.00 0.00 H ATOM 1227 H SER A 226 -13.830 -27.021 -2.095 1.00 0.00 H ATOM 1228 N LYS A 227 -13.268 -28.277 -5.762 1.00 18.24 N ATOM 1229 CA LYS A 227 -13.452 -27.597 -7.033 1.00 19.96 C ATOM 1230 C LYS A 227 -14.742 -28.060 -7.697 1.00 20.32 C ATOM 1231 O LYS A 227 -15.005 -29.265 -7.790 1.00 22.86 O ATOM 1232 CB LYS A 227 -12.266 -27.908 -7.945 1.00 23.09 C ATOM 1233 CG LYS A 227 -10.962 -27.263 -7.499 1.00 30.12 C ATOM 1234 CD LYS A 227 -9.878 -27.428 -8.551 1.00 34.91 C ATOM 1235 CE LYS A 227 -10.327 -26.848 -9.896 1.00 39.09 C ATOM 1236 NZ LYS A 227 -9.430 -25.774 -10.430 1.00 41.68 N ATOM 1237 HZ1 LYS A 227 -9.394 -24.985 -9.753 1.00 0.00 H ATOM 1238 HZ2 LYS A 227 -8.474 -26.159 -10.566 1.00 0.00 H ATOM 1239 HZ3 LYS A 227 -9.801 -25.435 -11.340 1.00 0.00 H ATOM 1240 H LYS A 227 -12.595 -29.067 -5.700 1.00 0.00 H ATOM 1241 N SER A 228 -15.540 -27.107 -8.170 1.00 18.58 N ATOM 1242 CA SER A 228 -16.698 -27.455 -8.980 1.00 19.45 C ATOM 1243 C SER A 228 -16.243 -28.177 -10.249 1.00 20.44 C ATOM 1244 O SER A 228 -15.299 -27.724 -10.910 1.00 22.44 O ATOM 1245 CB SER A 228 -17.472 -26.200 -9.369 1.00 20.09 C ATOM 1246 OG SER A 228 -18.436 -26.544 -10.360 1.00 22.33 O ATOM 1247 HG SER A 228 -18.944 -25.735 -10.619 1.00 0.00 H ATOM 1248 H SER A 228 -15.336 -26.109 -7.960 1.00 0.00 H ATOM 1249 N PRO A 229 -16.887 -29.284 -10.629 1.00 20.55 N ATOM 1250 CA PRO A 229 -16.436 -30.045 -11.805 1.00 21.66 C ATOM 1251 C PRO A 229 -16.984 -29.531 -13.126 1.00 22.83 C ATOM 1252 O PRO A 229 -16.574 -30.030 -14.184 1.00 26.50 O ATOM 1253 CB PRO A 229 -16.958 -31.457 -11.512 1.00 22.29 C ATOM 1254 CG PRO A 229 -18.220 -31.215 -10.724 1.00 22.96 C ATOM 1255 CD PRO A 229 -17.974 -29.970 -9.899 1.00 21.62 C ATOM 1256 N ALA A 230 -17.898 -28.567 -13.108 1.00 22.03 N ATOM 1257 CA ALA A 230 -18.512 -28.077 -14.337 1.00 20.62 C ATOM 1258 C ALA A 230 -19.212 -26.774 -14.015 1.00 20.36 C ATOM 1259 O ALA A 230 -19.639 -26.559 -12.877 1.00 19.11 O ATOM 1260 CB ALA A 230 -19.546 -29.073 -14.875 1.00 22.23 C ATOM 1261 H ALA A 230 -18.182 -28.153 -12.197 1.00 0.00 H ATOM 1262 N LEU A 231 -19.344 -25.916 -15.026 1.00 19.66 N ATOM 1263 CA LEU A 231 -19.942 -24.604 -14.780 1.00 20.31 C ATOM 1264 C LEU A 231 -21.360 -24.719 -14.241 1.00 19.21 C ATOM 1265 O LEU A 231 -21.823 -23.838 -13.510 1.00 18.83 O ATOM 1266 CB LEU A 231 -19.930 -23.760 -16.056 1.00 21.05 C ATOM 1267 CG LEU A 231 -18.539 -23.406 -16.587 1.00 22.58 C ATOM 1268 CD1 LEU A 231 -18.670 -22.508 -17.802 1.00 24.24 C ATOM 1269 CD2 LEU A 231 -17.712 -22.713 -15.509 1.00 25.20 C ATOM 1270 H LEU A 231 -19.025 -26.177 -15.981 1.00 0.00 H ATOM 1271 N SER A 232 -22.068 -25.786 -14.595 1.00 19.97 N ATOM 1272 CA SER A 232 -23.428 -26.004 -14.130 1.00 22.18 C ATOM 1273 C SER A 232 -23.494 -26.732 -12.795 1.00 21.84 C ATOM 1274 O SER A 232 -24.600 -27.061 -12.345 1.00 23.16 O ATOM 1275 CB SER A 232 -24.204 -26.804 -15.174 1.00 24.97 C ATOM 1276 OG SER A 232 -23.486 -27.978 -15.511 1.00 28.85 O ATOM 1277 HG SER A 232 -23.362 -28.532 -14.700 1.00 0.00 H ATOM 1278 H SER A 232 -21.634 -26.489 -15.226 1.00 0.00 H ATOM 1279 N SER A 233 -22.357 -27.004 -12.162 1.00 21.02 N ATOM 1280 CA SER A 233 -22.310 -27.744 -10.905 1.00 19.51 C ATOM 1281 C SER A 233 -21.626 -26.914 -9.832 1.00 18.52 C ATOM 1282 O SER A 233 -21.033 -25.872 -10.104 1.00 19.94 O ATOM 1283 CB SER A 233 -21.539 -29.054 -11.080 1.00 20.99 C ATOM 1284 OG SER A 233 -22.176 -29.902 -12.016 1.00 25.19 O ATOM 1285 HG SER A 233 -22.226 -29.445 -12.893 1.00 0.00 H ATOM 1286 H SER A 233 -21.463 -26.676 -12.580 1.00 0.00 H ATOM 1287 N TRP A 234 -21.729 -27.391 -8.593 1.00 18.71 N ATOM 1288 CA TRP A 234 -21.062 -26.805 -7.442 1.00 17.93 C ATOM 1289 C TRP A 234 -20.005 -27.776 -6.943 1.00 16.26 C ATOM 1290 O TRP A 234 -20.066 -28.980 -7.217 1.00 19.05 O ATOM 1291 CB TRP A 234 -22.075 -26.509 -6.327 1.00 16.52 C ATOM 1292 CG TRP A 234 -22.895 -25.291 -6.580 1.00 16.97 C ATOM 1293 CD1 TRP A 234 -22.676 -24.056 -6.043 1.00 16.08 C ATOM 1294 CD2 TRP A 234 -24.047 -25.159 -7.429 1.00 17.35 C ATOM 1295 NE1 TRP A 234 -23.615 -23.163 -6.499 1.00 17.92 N ATOM 1296 CE2 TRP A 234 -24.472 -23.813 -7.348 1.00 17.48 C ATOM 1297 CE3 TRP A 234 -24.766 -26.050 -8.250 1.00 19.59 C ATOM 1298 CZ2 TRP A 234 -25.569 -23.328 -8.047 1.00 17.79 C ATOM 1299 CZ3 TRP A 234 -25.863 -25.564 -8.945 1.00 19.22 C ATOM 1300 CH2 TRP A 234 -26.253 -24.210 -8.838 1.00 19.11 C ATOM 1301 HE1 TRP A 234 -23.667 -22.157 -6.242 1.00 0.00 H ATOM 1302 H TRP A 234 -22.321 -28.232 -8.440 1.00 0.00 H ATOM 1303 N GLY A 235 -19.027 -27.248 -6.209 1.00 16.98 N ATOM 1304 CA GLY A 235 -18.139 -28.114 -5.463 1.00 17.93 C ATOM 1305 C GLY A 235 -18.907 -28.968 -4.470 1.00 18.45 C ATOM 1306 O GLY A 235 -20.051 -28.676 -4.106 1.00 18.64 O ATOM 1307 H GLY A 235 -18.902 -26.216 -6.172 1.00 0.00 H ATOM 1308 N ASP A 236 -18.277 -30.054 -4.037 1.00 18.81 N ATOM 1309 CA ASP A 236 -18.915 -30.900 -3.043 1.00 19.17 C ATOM 1310 C ASP A 236 -18.942 -30.180 -1.702 1.00 18.14 C ATOM 1311 O ASP A 236 -18.039 -29.408 -1.396 1.00 18.83 O ATOM 1312 CB ASP A 236 -18.105 -32.175 -2.854 1.00 22.06 C ATOM 1313 CG ASP A 236 -18.120 -33.070 -4.072 1.00 28.08 C ATOM 1314 OD1 ASP A 236 -19.121 -33.063 -4.829 1.00 28.57 O ATOM 1315 OD2 ASP A 236 -17.113 -33.778 -4.266 1.00 31.83 O ATOM 1316 H ASP A 236 -17.335 -30.297 -4.406 1.00 0.00 H ATOM 1317 N PRO A 237 -19.936 -30.451 -0.860 1.00 18.24 N ATOM 1318 CA PRO A 237 -19.862 -29.952 0.518 1.00 18.78 C ATOM 1319 C PRO A 237 -18.548 -30.369 1.173 1.00 16.92 C ATOM 1320 O PRO A 237 -18.065 -31.491 0.984 1.00 20.38 O ATOM 1321 CB PRO A 237 -21.060 -30.624 1.200 1.00 20.90 C ATOM 1322 CG PRO A 237 -22.001 -30.951 0.086 1.00 21.35 C ATOM 1323 CD PRO A 237 -21.118 -31.313 -1.069 1.00 19.28 C ATOM 1324 N VAL A 238 -17.970 -29.459 1.959 1.00 15.86 N ATOM 1325 CA VAL A 238 -16.790 -29.759 2.764 1.00 16.28 C ATOM 1326 C VAL A 238 -17.080 -29.421 4.219 1.00 15.15 C ATOM 1327 O VAL A 238 -17.682 -28.387 4.525 1.00 14.84 O ATOM 1328 CB VAL A 238 -15.512 -29.049 2.256 1.00 17.59 C ATOM 1329 CG1 VAL A 238 -15.132 -29.585 0.889 1.00 19.16 C ATOM 1330 CG2 VAL A 238 -15.666 -27.537 2.214 1.00 17.45 C ATOM 1331 H VAL A 238 -18.375 -28.502 2.000 1.00 0.00 H ATOM 1332 N LEU A 239 -16.693 -30.328 5.108 1.00 15.61 N ATOM 1333 CA LEU A 239 -16.836 -30.150 6.548 1.00 16.36 C ATOM 1334 C LEU A 239 -15.448 -30.257 7.163 1.00 16.34 C ATOM 1335 O LEU A 239 -14.869 -31.349 7.241 1.00 17.69 O ATOM 1336 CB LEU A 239 -17.792 -31.175 7.150 1.00 18.75 C ATOM 1337 CG LEU A 239 -17.971 -31.091 8.673 1.00 22.00 C ATOM 1338 CD1 LEU A 239 -18.378 -29.686 9.106 1.00 23.82 C ATOM 1339 CD2 LEU A 239 -18.985 -32.120 9.156 1.00 24.86 C ATOM 1340 H LEU A 239 -16.266 -31.210 4.760 1.00 0.00 H ATOM 1341 N LEU A 240 -14.905 -29.121 7.551 1.00 15.88 N ATOM 1342 CA LEU A 240 -13.587 -29.050 8.144 1.00 16.32 C ATOM 1343 C LEU A 240 -13.733 -29.093 9.657 1.00 15.47 C ATOM 1344 O LEU A 240 -14.534 -28.350 10.221 1.00 16.80 O ATOM 1345 CB LEU A 240 -12.959 -27.723 7.733 1.00 16.75 C ATOM 1346 CG LEU A 240 -11.641 -27.329 8.400 1.00 16.14 C ATOM 1347 CD1 LEU A 240 -10.539 -28.340 8.076 1.00 17.93 C ATOM 1348 CD2 LEU A 240 -11.238 -25.921 7.948 1.00 16.60 C ATOM 1349 H LEU A 240 -15.445 -28.241 7.426 1.00 0.00 H ATOM 1350 N LYS A 241 -12.995 -29.992 10.307 1.00 16.89 N ATOM 1351 CA LYS A 241 -12.972 -30.092 11.764 1.00 17.50 C ATOM 1352 C LYS A 241 -11.544 -29.845 12.224 1.00 18.43 C ATOM 1353 O LYS A 241 -10.632 -30.573 11.826 1.00 23.01 O ATOM 1354 CB LYS A 241 -13.444 -31.471 12.226 1.00 21.73 C ATOM 1355 CG LYS A 241 -14.863 -31.778 11.848 1.00 25.97 C ATOM 1356 CD LYS A 241 -15.229 -33.188 12.286 1.00 30.99 C ATOM 1357 CE LYS A 241 -16.320 -33.759 11.412 1.00 34.26 C ATOM 1358 NZ LYS A 241 -16.507 -35.217 11.648 1.00 36.19 N ATOM 1359 HZ1 LYS A 241 -15.621 -35.718 11.436 1.00 0.00 H ATOM 1360 HZ2 LYS A 241 -16.767 -35.375 12.643 1.00 0.00 H ATOM 1361 HZ3 LYS A 241 -17.264 -35.573 11.030 1.00 0.00 H ATOM 1362 H LYS A 241 -12.411 -30.650 9.753 1.00 0.00 H ATOM 1363 N THR A 242 -11.343 -28.812 13.041 1.00 16.20 N ATOM 1364 CA THR A 242 -9.989 -28.383 13.393 1.00 16.83 C ATOM 1365 C THR A 242 -9.931 -28.066 14.879 1.00 15.63 C ATOM 1366 O THR A 242 -10.813 -27.377 15.392 1.00 16.08 O ATOM 1367 CB THR A 242 -9.591 -27.125 12.593 1.00 19.14 C ATOM 1368 OG1 THR A 242 -9.686 -27.385 11.187 1.00 23.31 O ATOM 1369 CG2 THR A 242 -8.151 -26.682 12.895 1.00 21.53 C ATOM 1370 HG1 THR A 242 -9.429 -26.572 10.684 1.00 0.00 H ATOM 1371 H THR A 242 -12.160 -28.303 13.434 1.00 0.00 H ATOM 1372 N ASP A 243 -8.895 -28.561 15.563 1.00 17.03 N ATOM 1373 CA ASP A 243 -8.607 -28.168 16.941 1.00 17.92 C ATOM 1374 C ASP A 243 -7.703 -26.942 16.908 1.00 16.92 C ATOM 1375 O ASP A 243 -6.556 -27.012 16.459 1.00 21.82 O ATOM 1376 CB ASP A 243 -7.942 -29.310 17.706 1.00 21.20 C ATOM 1377 CG ASP A 243 -8.868 -30.478 17.906 1.00 28.16 C ATOM 1378 OD1 ASP A 243 -10.076 -30.252 18.155 1.00 29.35 O ATOM 1379 OD2 ASP A 243 -8.389 -31.624 17.792 1.00 33.09 O ATOM 1380 H ASP A 243 -8.271 -29.251 15.098 1.00 0.00 H ATOM 1381 N VAL A 244 -8.227 -25.814 17.348 1.00 12.96 N ATOM 1382 CA VAL A 244 -7.523 -24.536 17.292 1.00 12.47 C ATOM 1383 C VAL A 244 -6.867 -24.285 18.643 1.00 11.92 C ATOM 1384 O VAL A 244 -7.558 -24.325 19.662 1.00 12.58 O ATOM 1385 CB VAL A 244 -8.492 -23.397 16.936 1.00 13.13 C ATOM 1386 CG1 VAL A 244 -7.832 -22.023 17.036 1.00 14.22 C ATOM 1387 CG2 VAL A 244 -9.068 -23.637 15.557 1.00 15.65 C ATOM 1388 H VAL A 244 -9.185 -25.836 17.753 1.00 0.00 H ATOM 1389 N PRO A 245 -5.567 -24.022 18.696 1.00 11.71 N ATOM 1390 CA PRO A 245 -4.942 -23.729 19.993 1.00 11.94 C ATOM 1391 C PRO A 245 -5.435 -22.395 20.535 1.00 13.46 C ATOM 1392 O PRO A 245 -5.635 -21.434 19.787 1.00 16.12 O ATOM 1393 CB PRO A 245 -3.451 -23.654 19.651 1.00 12.64 C ATOM 1394 CG PRO A 245 -3.436 -23.178 18.200 1.00 13.53 C ATOM 1395 CD PRO A 245 -4.642 -23.835 17.560 1.00 13.04 C ATOM 1396 N LEU A 246 -5.634 -22.336 21.848 1.00 13.37 N ATOM 1397 CA LEU A 246 -6.011 -21.098 22.518 1.00 13.55 C ATOM 1398 C LEU A 246 -4.795 -20.466 23.173 1.00 15.54 C ATOM 1399 O LEU A 246 -3.922 -21.173 23.696 1.00 18.07 O ATOM 1400 CB LEU A 246 -7.058 -21.369 23.605 1.00 16.43 C ATOM 1401 CG LEU A 246 -8.461 -21.668 23.077 1.00 17.85 C ATOM 1402 CD1 LEU A 246 -9.359 -22.064 24.223 1.00 20.59 C ATOM 1403 CD2 LEU A 246 -9.012 -20.443 22.368 1.00 19.14 C ATOM 1404 H LEU A 246 -5.517 -23.200 22.415 1.00 0.00 H ATOM 1405 N SER A 247 -4.759 -19.132 23.172 1.00 14.00 N ATOM 1406 CA SER A 247 -3.760 -18.419 23.959 1.00 16.31 C ATOM 1407 C SER A 247 -4.217 -18.331 25.413 1.00 19.25 C ATOM 1408 O SER A 247 -5.388 -18.535 25.727 1.00 21.46 O ATOM 1409 CB SER A 247 -3.537 -17.014 23.406 1.00 21.55 C ATOM 1410 OG SER A 247 -4.739 -16.289 23.507 1.00 25.49 O ATOM 1411 HG SER A 247 -5.444 -16.747 22.985 1.00 0.00 H ATOM 1412 H SER A 247 -5.448 -18.597 22.606 1.00 0.00 H ATOM 1413 N SER A 248 -3.288 -18.005 26.309 1.00 22.97 N ATOM 1414 CA SER A 248 -3.661 -17.905 27.717 1.00 29.40 C ATOM 1415 C SER A 248 -2.848 -16.824 28.410 1.00 31.12 C ATOM 1416 O SER A 248 -1.928 -16.245 27.830 1.00 28.47 O ATOM 1417 CB SER A 248 -3.511 -19.250 28.423 1.00 34.78 C ATOM 1418 OG SER A 248 -2.182 -19.709 28.314 1.00 38.55 O ATOM 1419 HG SER A 248 -1.948 -19.815 27.358 1.00 0.00 H ATOM 1420 H SER A 248 -2.309 -17.824 26.010 1.00 0.00 H ATOM 1421 N ALA A 249 -3.221 -16.573 29.668 1.00 36.33 N ATOM 1422 CA ALA A 249 -2.513 -15.754 30.673 1.00 40.52 C ATOM 1423 C ALA A 249 -3.084 -14.353 30.794 1.00 42.54 C ATOM 1424 O ALA A 249 -4.159 -14.173 31.360 1.00 44.56 O ATOM 1425 CB ALA A 249 -0.985 -15.724 30.475 1.00 42.12 C ATOM 1426 H ALA A 249 -4.115 -17.005 29.976 1.00 0.00 H TER 1427 ALA A 249 HETATM 1428 O HOH 1 -24.423 -13.920 -13.240 1.00 29.74 O HETATM 1429 O HOH 2 -17.925 -4.727 6.378 1.00 35.41 O HETATM 1430 O HOH 3 -18.818 -33.486 14.485 1.00 41.69 O HETATM 1431 O HOH 4 -29.795 -28.352 7.091 1.00 27.54 O HETATM 1432 O HOH 5 -28.204 -22.556 13.519 1.00 34.78 O HETATM 1433 O HOH 6 -4.931 -26.717 14.744 1.00 29.75 O HETATM 1434 O HOH 7 -16.148 -35.814 13.951 1.00 49.72 O HETATM 1435 O HOH 8 -6.495 -21.846 27.694 1.00 37.27 O HETATM 1436 O HOH 9 -4.418 -15.723 -6.907 1.00 41.30 O HETATM 1437 O HOH 10 -1.046 -18.510 -3.739 1.00 47.36 O HETATM 1438 O HOH 11 -13.644 0.102 -6.956 1.00 27.31 O HETATM 1439 O HOH 12 -11.169 -3.082 -5.760 1.00 28.57 O HETATM 1440 O HOH 13 -20.228 -24.822 23.488 1.00 29.22 O HETATM 1441 O HOH 14 -26.261 -15.108 6.792 1.00 32.45 O HETATM 1442 O HOH 15 -30.780 -25.270 8.298 1.00 22.12 O HETATM 1443 O HOH 16 -14.480 -31.463 -14.155 1.00 41.36 O HETATM 1444 O HOH 17 -27.102 -21.874 17.605 1.00 15.71 O HETATM 1445 O HOH 18 -16.443 -22.508 23.958 1.00 38.22 O HETATM 1446 O HOH 19 -3.095 -21.157 -4.209 1.00 37.98 O HETATM 1447 O HOH 20 -6.181 -18.911 19.497 1.00 26.82 O HETATM 1448 O HOH 21 -12.617 -27.971 23.183 1.00 34.69 O HETATM 1449 O HOH 22 -27.114 -26.485 -12.663 1.00 41.17 O HETATM 1450 O HOH 23 -7.414 -19.421 27.124 1.00 26.22 O HETATM 1451 O HOH 24 -29.551 -23.829 -3.103 1.00 54.68 O HETATM 1452 O HOH 25 -12.537 -24.609 24.608 1.00 20.30 O HETATM 1453 O HOH 26 -23.950 -30.200 -14.177 1.00 39.13 O HETATM 1454 O HOH 27 -30.085 -23.439 -7.931 1.00 44.95 O HETATM 1455 O HOH 28 -16.817 -8.817 -4.762 1.00 12.44 O HETATM 1456 O HOH 29 -25.815 -27.801 -0.408 1.00 26.30 O HETATM 1457 O HOH 30 -5.103 -7.927 6.856 1.00 34.47 O HETATM 1458 O HOH 31 -25.250 -8.729 -3.015 1.00 23.72 O HETATM 1459 O HOH 32 -21.532 -7.458 2.725 1.00 34.73 O HETATM 1460 O HOH 33 -14.062 -19.824 26.675 1.00 38.75 O HETATM 1461 O HOH 34 -15.234 -5.904 -6.957 1.00 17.59 O HETATM 1462 O HOH 35 -9.228 -34.032 18.582 1.00 42.91 O HETATM 1463 O HOH 36 -11.628 -31.163 20.127 1.00 47.80 O HETATM 1464 O HOH 37 -19.164 -31.640 -7.093 1.00 29.84 O HETATM 1465 O HOH 38 -0.310 -22.057 4.883 1.00 28.24 O HETATM 1466 O HOH 39 -2.897 -8.659 10.671 1.00 41.45 O HETATM 1467 O HOH 40 -27.286 -21.144 -1.550 1.00 31.27 O HETATM 1468 O HOH 41 -9.884 -7.495 -4.628 1.00 15.16 O HETATM 1469 O HOH 42 -10.274 -23.632 -8.076 1.00 33.25 O HETATM 1470 O HOH 43 -22.639 -5.335 -5.646 1.00 31.24 O HETATM 1471 O HOH 44 -23.130 -32.688 3.406 1.00 27.91 O HETATM 1472 O HOH 45 -7.324 -17.462 -8.944 1.00 31.41 O HETATM 1473 O HOH 46 -30.043 -22.170 1.035 1.00 34.90 O HETATM 1474 O HOH 47 -27.524 -17.557 -3.746 1.00 22.98 O HETATM 1475 O HOH 48 -25.550 -29.111 1.977 1.00 33.08 O HETATM 1476 O HOH 49 -15.856 -3.343 5.007 1.00 20.94 O HETATM 1477 O HOH 50 -24.526 -9.810 -8.743 1.00 18.09 O HETATM 1478 O HOH 51 -20.519 -3.769 -1.807 1.00 32.83 O HETATM 1479 O HOH 52 -23.509 -21.826 -14.224 1.00 26.84 O HETATM 1480 O HOH 53 -14.322 -17.640 -10.822 1.00 23.97 O HETATM 1481 O HOH 54 -5.967 -29.235 10.331 1.00 44.84 O HETATM 1482 O HOH 55 -11.840 -30.719 16.127 1.00 33.70 O HETATM 1483 O HOH 56 2.246 -13.258 4.978 1.00 39.71 O HETATM 1484 O HOH 57 -28.388 -21.953 -11.828 1.00 29.72 O HETATM 1485 O HOH 58 -24.895 -12.455 0.645 1.00 20.54 O HETATM 1486 O HOH 59 -29.347 -16.816 -5.642 1.00 32.39 O HETATM 1487 O HOH 60 -14.995 -23.857 -11.105 1.00 34.15 O HETATM 1488 O HOH 61 -12.932 -24.046 -10.002 1.00 40.52 O HETATM 1489 O HOH 62 -2.046 -21.607 25.679 1.00 26.88 O HETATM 1490 O HOH 63 -22.093 -28.198 -2.299 1.00 18.66 O HETATM 1491 O HOH 64 -9.132 -1.337 6.572 1.00 21.53 O HETATM 1492 O HOH 65 -23.390 -16.536 17.132 1.00 32.00 O HETATM 1493 O HOH 66 -2.972 -25.160 23.050 1.00 19.67 O HETATM 1494 O HOH 67 -11.673 -14.736 -8.831 1.00 33.43 O HETATM 1495 O HOH 68 -23.854 -15.940 8.312 1.00 27.49 O HETATM 1496 O HOH 69 0.071 -11.919 -0.978 1.00 24.57 O HETATM 1497 O HOH 70 -20.215 -12.847 20.867 1.00 26.62 O HETATM 1498 O HOH 71 -15.242 -6.454 -9.556 1.00 13.43 O HETATM 1499 O HOH 72 -16.591 -29.777 21.399 1.00 36.50 O HETATM 1500 O HOH 73 -22.870 -30.311 20.477 1.00 33.46 O HETATM 1501 O HOH 74 -11.016 -12.135 -12.162 1.00 19.35 O HETATM 1502 O HOH 75 -18.029 -19.057 20.357 1.00 21.65 O HETATM 1503 O HOH 76 -4.101 -18.050 8.901 1.00 19.87 O HETATM 1504 O HOH 77 -15.660 -31.940 15.527 1.00 51.10 O HETATM 1505 O HOH 78 0.347 -12.199 -3.727 1.00 32.27 O HETATM 1506 O HOH 79 -29.516 -15.162 5.044 1.00 40.57 O HETATM 1507 O HOH 80 -17.698 -27.467 17.377 1.00 18.31 O HETATM 1508 O HOH 81 -6.055 -15.824 30.078 1.00 41.61 O HETATM 1509 O HOH 82 -22.430 -10.710 -10.337 1.00 16.18 O HETATM 1510 O HOH 83 -27.196 -18.529 -1.233 1.00 31.85 O HETATM 1511 O HOH 84 -19.193 -0.653 -10.462 1.00 20.68 O HETATM 1512 O HOH 85 -3.836 -24.901 4.196 1.00 33.59 O HETATM 1513 O HOH 86 -12.830 -13.713 -10.376 1.00 33.41 O HETATM 1514 O HOH 87 -6.174 -2.507 -4.869 1.00 45.32 O HETATM 1515 O HOH 88 -3.605 -11.819 -6.241 1.00 24.91 O HETATM 1516 O HOH 89 -3.922 -7.319 -0.707 1.00 22.13 O HETATM 1517 O HOH 90 -5.734 -9.485 19.737 1.00 20.11 O HETATM 1518 O HOH 91 -19.444 -16.271 21.104 1.00 31.30 O HETATM 1519 O HOH 92 -23.353 -31.385 8.677 1.00 38.56 O HETATM 1520 O HOH 93 -16.892 -20.207 -4.947 1.00 13.45 O HETATM 1521 O HOH 94 -3.178 -15.631 18.775 1.00 27.09 O HETATM 1522 O HOH 95 -15.259 -33.951 8.373 1.00 41.47 O HETATM 1523 O HOH 96 -7.478 -1.578 4.354 1.00 26.25 O HETATM 1524 O HOH 97 -1.890 -11.231 8.595 1.00 40.36 O HETATM 1525 O HOH 98 -16.754 -2.607 9.060 1.00 28.64 O HETATM 1526 O HOH 99 -13.465 -32.467 -4.060 1.00 44.19 O HETATM 1527 O HOH 100 -11.669 -32.050 8.786 1.00 27.80 O HETATM 1528 O HOH 101 -28.451 -29.061 -9.504 1.00 47.84 O HETATM 1529 O HOH 102 -11.460 -35.142 6.686 1.00 41.48 O HETATM 1530 O HOH 103 -0.693 -18.733 0.986 1.00 27.87 O HETATM 1531 O HOH 104 -9.610 -20.168 -9.923 1.00 42.64 O HETATM 1532 O HOH 105 -22.798 -8.369 11.660 1.00 38.84 O HETATM 1533 O HOH 106 -15.431 -32.770 4.168 1.00 28.23 O HETATM 1534 O HOH 107 -26.486 -23.598 -13.114 1.00 37.73 O HETATM 1535 O HOH 108 -31.266 -19.459 -9.109 1.00 56.48 O HETATM 1536 O HOH 109 -11.457 -30.562 -5.681 1.00 28.58 O HETATM 1537 O HOH 110 -18.967 -21.518 21.305 1.00 23.84 O HETATM 1538 O HOH 111 -22.210 -8.828 6.746 1.00 20.01 O HETATM 1539 O HOH 112 -28.145 -10.958 -6.672 1.00 40.59 O HETATM 1540 O HOH 113 1.192 -10.918 15.775 1.00 38.34 O HETATM 1541 O HOH 114 -1.282 -12.885 19.153 1.00 38.08 O HETATM 1542 O HOH 115 -10.765 -2.434 -0.495 1.00 16.52 O HETATM 1543 O HOH 116 -28.868 -13.932 -7.940 1.00 47.48 O HETATM 1544 O HOH 117 -21.859 -14.751 8.401 1.00 28.07 O HETATM 1545 O HOH 118 -11.855 -5.564 -6.858 1.00 18.62 O HETATM 1546 O HOH 119 -7.864 -30.508 3.015 1.00 41.73 O HETATM 1547 O HOH 120 -21.468 -26.958 -17.420 1.00 33.82 O HETATM 1548 O HOH 121 -18.288 -26.852 -17.628 1.00 28.88 O HETATM 1549 O HOH 122 -25.503 -17.070 10.966 1.00 36.31 O HETATM 1550 O HOH 123 -13.411 -19.841 -11.937 1.00 21.03 O HETATM 1551 O HOH 124 -6.563 -28.821 7.025 1.00 30.43 O HETATM 1552 O HOH 125 -9.452 -29.956 0.566 1.00 31.58 O HETATM 1553 O HOH 126 -17.343 -11.718 24.264 1.00 20.99 O HETATM 1554 O HOH 127 -8.391 -6.077 -6.631 1.00 16.89 O HETATM 1555 O HOH 128 -35.181 -20.995 2.912 1.00 50.88 O HETATM 1556 O HOH 129 -17.203 -1.731 -1.280 1.00 43.16 O HETATM 1557 O HOH 130 -18.487 -29.980 17.162 1.00 45.32 O HETATM 1558 O HOH 131 -7.235 -4.597 15.488 1.00 19.76 O HETATM 1559 O HOH 132 -34.070 -24.035 3.844 1.00 54.09 O HETATM 1560 O HOH 133 -16.170 -20.328 23.342 1.00 34.43 O HETATM 1561 O HOH 134 -10.471 -33.452 12.658 1.00 46.65 O HETATM 1562 O HOH 135 -25.274 -30.347 6.907 1.00 41.91 O HETATM 1563 O HOH 136 -23.338 -29.884 -8.045 1.00 30.01 O HETATM 1564 O HOH 137 -5.467 -8.264 -13.165 1.00 36.49 O HETATM 1565 O HOH 138 -11.367 -17.265 -10.162 1.00 37.68 O HETATM 1566 O HOH 139 -5.385 -17.490 16.966 1.00 28.48 O HETATM 1567 O HOH 140 -7.315 -30.765 14.171 1.00 48.59 O HETATM 1568 O HOH 141 -23.357 -9.708 1.606 1.00 40.43 O HETATM 1569 O HOH 142 -8.875 -28.640 -4.127 1.00 44.57 O HETATM 1570 O HOH 143 -4.134 -5.982 -7.104 1.00 41.53 O HETATM 1571 O HOH 144 -3.307 -9.089 18.165 1.00 19.13 O HETATM 1572 O HOH 145 -7.847 -30.483 5.891 1.00 50.58 O HETATM 1573 O HOH 146 -27.080 -12.045 2.357 1.00 54.17 O HETATM 1574 O HOH 147 -23.179 -9.025 9.378 1.00 38.64 O HETATM 1575 O HOH 148 -10.919 -0.897 -7.313 1.00 35.04 O HETATM 1576 O HOH 149 -22.018 -30.696 -5.490 1.00 38.31 O HETATM 1577 O HOH 150 -16.851 -25.119 -12.644 1.00 40.97 O HETATM 1578 O HOH 151 -25.374 -29.532 -6.087 1.00 35.49 O HETATM 1579 O HOH 152 -25.915 -29.409 -10.727 1.00 45.03 O HETATM 1580 O HOH 153 -5.340 -28.868 14.229 1.00 38.48 O HETATM 1581 O HOH 154 -12.313 -5.863 11.767 1.00 44.63 O HETATM 1582 O HOH 155 -27.373 -30.483 5.714 1.00 43.45 O HETATM 1583 O HOH 156 -9.312 -12.562 -9.682 1.00 26.24 O HETATM 1584 O HOH 157 -4.775 -4.671 12.140 1.00 45.05 O HETATM 1585 O HOH 158 0.427 -18.388 7.771 1.00 35.52 O HETATM 1586 O HOH 159 -9.379 -25.899 30.031 1.00 43.59 O HETATM 1587 O HOH 160 -8.340 -30.009 -1.931 1.00 41.16 O HETATM 1588 O HOH 161 -24.009 -11.559 -12.561 1.00 29.17 O HETATM 1589 O HOH 162 -6.729 -1.316 8.274 1.00 34.03 O HETATM 1590 O HOH 163 -4.808 -5.114 1.168 1.00 25.98 O HETATM 1591 O HOH 164 1.027 -18.829 27.775 1.00 37.46 O HETATM 1592 O HOH 165 -10.976 -20.696 27.682 1.00 46.84 O HETATM 1593 O HOH 166 -16.517 1.233 -3.309 1.00 27.55 O HETATM 1594 O HOH 167 -8.937 -3.384 -5.020 1.00 39.48 O HETATM 1595 O HOH 168 -20.390 -5.490 2.708 1.00 42.54 O HETATM 1596 O HOH 169 -4.863 -13.736 -7.973 1.00 41.78 O HETATM 1597 O HOH 170 -23.691 -6.540 -3.093 1.00 27.93 O HETATM 1598 O HOH 171 -2.185 -8.546 0.915 1.00 27.65 O HETATM 1599 O HOH 172 -1.309 -22.920 29.389 1.00 57.09 O HETATM 1600 O HOH 173 -4.277 -26.529 6.348 1.00 42.68 O HETATM 1601 O HOH 174 -5.777 -2.853 12.731 1.00 49.42 O HETATM 1602 O HOH 175 -2.838 -7.502 -5.846 1.00 40.12 O HETATM 1603 O HOH 176 1.644 -13.593 0.458 1.00 30.05 O HETATM 1604 O HOH 177 -14.784 -2.407 7.299 1.00 26.57 O HETATM 1605 O HOH 178 -23.702 -11.651 9.197 1.00 46.92 O HETATM 1606 O HOH 179 0.584 -22.126 28.465 1.00 59.98 O HETATM 1607 O HOH 180 -23.807 -23.365 -16.747 1.00 40.72 O HETATM 1608 O HOH 181 -19.431 -2.339 7.913 1.00 35.51 O HETATM 1609 O HOH 182 -29.014 -27.324 -11.052 1.00 44.82 O HETATM 1610 O HOH 183 -30.069 -23.478 -10.200 1.00 43.16 O HETATM 1611 O HOH 184 -24.383 -8.502 5.209 1.00 44.55 O HETATM 1612 O HOH 185 -22.493 -0.608 -7.743 1.00 44.19 O HETATM 1613 O HOH 186 -12.634 -22.984 26.541 1.00 46.34 O HETATM 1614 O HOH 187 -27.014 -10.791 -9.104 1.00 39.96 O HETATM 1615 O HOH 188 -27.098 -12.760 4.859 1.00 50.96 O HETATM 1616 O HOH 189 -22.208 -3.063 -8.477 1.00 32.31 O HETATM 1617 O HOH 190 -4.765 -32.728 16.519 1.00 36.88 O HETATM 1618 O HOH 191 0.430 -9.367 -0.354 1.00 34.35 O HETATM 1619 O HOH 192 -10.169 -4.960 -3.205 1.00 38.67 O HETATM 1620 O HOH 193 -25.461 -14.701 16.868 1.00 39.72 O HETATM 1621 O HOH 194 -27.197 -8.582 -5.088 1.00 40.49 O HETATM 1622 O HOH 195 -5.212 -5.570 -9.353 1.00 53.17 O HETATM 1623 O HOH 196 -5.978 -2.393 0.310 1.00 34.07 O HETATM 1624 O HOH 197 -7.169 -17.976 29.468 1.00 41.23 O HETATM 1625 O HOH 198 -23.941 -13.763 8.766 1.00 45.40 O HETATM 1626 O HOH 199 -1.559 -9.897 -6.888 1.00 36.19 O HETATM 1627 O HOH 200 -8.915 -31.637 8.085 1.00 43.23 O HETATM 1628 O HOH 201 -1.049 -9.903 10.310 1.00 38.54 O HETATM 1629 O HOH 202 -6.746 -0.360 10.576 1.00 35.54 O HETATM 1630 O HOH 203 -12.220 -34.380 9.707 1.00 45.19 O HETATM 1631 O HOH 204 -24.770 -7.079 -9.261 1.00 25.39 O HETATM 1632 O HOH 205 -29.856 -21.731 -13.961 1.00 45.39 O HETATM 1633 O HOH 206 -7.620 -0.612 1.924 1.00 26.06 O HETATM 1634 O HOH 207 -18.769 -23.444 25.057 1.00 38.90 O HETATM 1635 O HOH 208 -25.959 -8.526 -0.628 1.00 39.88 O HETATM 1636 O HOH 209 -2.293 -6.448 -2.712 1.00 33.36 O HETATM 1637 O HOH 210 -9.062 -3.453 -2.004 1.00 28.82 O HETATM 1638 O HOH 211 -26.190 -23.054 -15.389 1.00 38.47 O HETATM 1639 O HOH 212 -24.375 -29.718 -3.211 1.00 35.33 O HETATM 1640 O HOH 213 -6.685 -1.954 -1.875 1.00 31.43 O HETATM 1641 O HOH 214 -24.159 -5.276 -7.335 1.00 34.75 O HETATM 1642 O HOH 215 2.837 -12.129 2.470 1.00 36.25 O HETATM 1643 O HOH 216 -1.936 -6.021 11.346 1.00 44.81 O HETATM 1644 O HOH 217 -16.146 0.938 -0.516 1.00 44.32 O HETATM 1645 O HOH 218 -31.286 -30.608 7.891 1.00 41.82 O HETATM 1646 O HOH 219 0.384 -9.673 -4.908 1.00 38.26 O HETATM 1647 O HOH 220 -10.670 -31.497 -8.249 1.00 42.64 O HETATM 1648 O HOH 221 3.127 -15.098 -1.247 1.00 41.54 O HETATM 1649 O HOH 222 -9.597 0.000 0.000 1.00 20.19 O HETATM 1650 O HOH 223 -11.410 -5.082 -9.582 1.00 22.08 O HETATM 1651 O HOH 224 -22.295 -3.896 -11.108 1.00 21.12 O HETATM 1652 O HOH 225 -26.391 -10.585 6.822 1.00 56.34 O HETATM 1653 O HOH 226 0.146 -7.880 -2.962 1.00 45.26 O HETATM 1654 O HOH 227 -4.541 0.230 11.981 1.00 34.77 O HETATM 1655 O HOH 228 -27.208 -6.754 -10.108 1.00 40.34 O HETATM 1656 C1 MBE A 229 -26.767 -18.306 -11.049 1.00 0.21 C HETATM 1657 C2 MBE A 229 -27.971 -18.593 -10.161 1.00 0.14 C HETATM 1658 C3 MBE A 229 -27.804 -17.865 -8.837 1.00 0.11 C HETATM 1659 C4 MBE A 229 -26.447 -18.225 -8.216 1.00 0.11 C HETATM 1660 C5 MBE A 229 -25.303 -17.959 -9.203 1.00 0.11 C HETATM 1661 C6 MBE A 229 -23.945 -18.405 -8.677 1.00 0.07 C HETATM 1662 O6 MBE A 229 -23.912 -19.826 -8.420 1.00 -0.39 O HETATM 1663 H15 MBE A 229 -24.571 -20.045 -7.772 1.00 0.21 H HETATM 1664 H6 MBE A 229 -23.732 -17.868 -7.741 1.00 0.06 H HETATM 1665 H7 MBE A 229 -23.175 -18.160 -9.424 1.00 0.06 H HETATM 1666 O5 MBE A 229 -25.546 -18.682 -10.408 1.00 -0.34 O HETATM 1667 H5 MBE A 229 -25.268 -16.881 -9.417 1.00 0.06 H HETATM 1668 O4 MBE A 229 -26.251 -17.441 -7.029 1.00 -0.39 O HETATM 1669 H14 MBE A 229 -25.424 -17.679 -6.627 1.00 0.21 H HETATM 1670 H4 MBE A 229 -26.447 -19.292 -7.950 1.00 0.06 H HETATM 1671 O3 MBE A 229 -28.893 -18.208 -7.970 1.00 -0.39 O HETATM 1672 H13 MBE A 229 -28.805 -17.736 -7.150 1.00 0.21 H HETATM 1673 H3 MBE A 229 -27.828 -16.780 -9.019 1.00 0.06 H HETATM 1674 O2 MBE A 229 -28.073 -20.003 -9.930 1.00 -0.38 O HETATM 1675 H12 MBE A 229 -28.177 -20.452 -10.761 1.00 0.21 H HETATM 1676 H2 MBE A 229 -28.886 -18.239 -10.659 1.00 0.07 H HETATM 1677 O1 MBE A 229 -26.896 -19.136 -12.197 1.00 -0.28 O HETATM 1678 C7 MBE A 229 -26.197 -18.850 -13.333 1.00 0.10 C HETATM 1679 C8 MBE A 229 -25.179 -17.897 -13.336 1.00 -0.02 C HETATM 1680 C9 MBE A 229 -24.500 -17.627 -14.510 1.00 -0.03 C HETATM 1681 C10 MBE A 229 -24.842 -18.324 -15.656 1.00 0.19 C HETATM 1682 C11 MBE A 229 -25.844 -19.278 -15.645 1.00 -0.03 C HETATM 1683 C12 MBE A 229 -26.532 -19.541 -14.482 1.00 -0.02 C HETATM 1684 H11 MBE A 229 -27.325 -20.280 -14.468 1.00 0.06 H HETATM 1685 H10 MBE A 229 -26.087 -19.819 -16.552 1.00 0.07 H HETATM 1686 N1 MBE A 229 -24.185 -18.095 -16.859 1.00 0.31 N HETATM 1687 O7 MBE A 229 -24.564 -18.815 -17.973 1.00 0.17 O HETATM 1688 O8 MBE A 229 -23.150 -17.190 -16.907 1.00 0.17 O HETATM 1689 H9 MBE A 229 -23.713 -16.882 -14.533 1.00 0.07 H HETATM 1690 H8 MBE A 229 -24.922 -17.371 -12.424 1.00 0.06 H HETATM 1691 H1 MBE A 229 -26.742 -17.242 -11.326 1.00 0.10 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1656 1657 1666 1677 1691 CONECT 1657 1656 1658 1674 1676 CONECT 1658 1657 1659 1671 1673 CONECT 1659 1658 1660 1668 1670 CONECT 1660 1659 1661 1666 1667 CONECT 1661 1660 1662 1664 1665 CONECT 1662 1661 1663 CONECT 1663 1662 CONECT 1664 1661 CONECT 1665 1661 CONECT 1666 1656 1660 CONECT 1667 1660 CONECT 1668 1659 1669 CONECT 1669 1668 CONECT 1670 1659 CONECT 1671 1658 1672 CONECT 1672 1671 CONECT 1673 1658 CONECT 1674 1657 1675 CONECT 1675 1674 CONECT 1676 1657 CONECT 1677 1656 1678 CONECT 1678 1677 1679 1683 CONECT 1679 1678 1680 1690 CONECT 1680 1679 1681 1689 CONECT 1681 1680 1682 1686 CONECT 1682 1681 1683 1685 CONECT 1683 1678 1682 1684 CONECT 1684 1683 CONECT 1685 1682 CONECT 1686 1681 1687 1688 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1680 CONECT 1690 1679 CONECT 1691 1656 MASTER 0 0 0 0 0 0 0 0 1690 1 40 12 END
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Structure:
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Related entries of code: 5ggk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ggj
RCSB PDB
PDBbind
164aa, >5GGJ_1|Chains... *
5ggl
RCSB PDB
PDBbind
164aa, >5GGL_1|Chains... at 100%
5ggn
RCSB PDB
PDBbind
164aa, >5GGN_1|Chains... at 100%
5ggo
RCSB PDB
PDBbind
164aa, >5GGO_1|Chains... at 100%
5ggp
RCSB PDB
PDBbind
164aa, >5GGP_1|Chains... at 100%
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
5ggk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase
Ligand Name
MBE
EC.Number
E.C.2.4.1
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.29mM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Proc.Natl.Acad.Sci.USA Vol.113 : pp. 9280-9285
Ligand Properties
Formula
C
1
2
H
1
5
NO
8
Molecular Weight
301.249
Exact Mass
301.080
No. of atoms
36
No. of bonds
37
Polar Surface Area
145.2
LOGP Value
-0.41 (
Computed with XLOGP3
)
-0.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@@H](Oc2ccc(cc2)N(=O)=O)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/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):
Q8WZA1
Entrez Gene ID
NCBI Entrez Gene ID:
55624
ASD
Information of known allosteric effects of PDB entries
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