Browse entries in the PDBbind-CN Database
HEADER 1RGK_COMPLEX COMPND 1RGK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 ALA CYS ASP TYR THR CYS GLY SER ASN CYS TYR SER SER SEQRES 2 A 104 SER ASP VAL SER THR ALA GLN ALA ALA GLY TYR LYS LEU SEQRES 3 A 104 HIS GLU ASP GLY GLU THR VAL GLY SER ASN SER TYR PRO SEQRES 4 A 104 HIS LYS TYR ASN ASN TYR GLN GLY PHE ASP PHE SER VAL SEQRES 5 A 104 SER SER PRO TYR TYR GLU TRP PRO ILE LEU SER SER GLY SEQRES 6 A 104 ASP VAL TYR SER GLY GLY SER PRO GLY ALA ASP ARG VAL SEQRES 7 A 104 VAL PHE ASN GLU ASN ASN GLN LEU ALA GLY VAL ILE THR SEQRES 8 A 104 HIS THR GLY ALA SER GLY ASN ASN PHE VAL GLU CYS THR HET CA A 1 1 HET UNN A 192 35 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 6.938 -5.689 16.257 1.00 16.91 N ATOM 2 CA ALA A 1 6.372 -4.906 15.182 1.00 16.40 C ATOM 3 C ALA A 1 7.038 -3.534 15.069 1.00 20.63 C ATOM 4 O ALA A 1 7.503 -2.972 16.058 1.00 21.32 O ATOM 5 CB ALA A 1 4.865 -4.793 15.343 1.00 20.64 C ATOM 6 HA ALA A 1 6.571 -5.425 14.245 1.00 0.00 H ATOM 7 HB1 ALA A 1 4.423 -5.789 15.327 1.00 0.00 H ATOM 8 HB2 ALA A 1 4.638 -4.309 16.293 1.00 0.00 H ATOM 9 HB3 ALA A 1 4.457 -4.200 14.524 1.00 0.00 H ATOM 10 HN3 ALA A 1 6.806 -5.186 17.157 1.00 0.00 H ATOM 11 HN2 ALA A 1 7.954 -5.831 16.083 1.00 0.00 H ATOM 12 HN1 ALA A 1 6.460 -6.612 16.301 1.00 0.00 H ATOM 13 N CYS A 2 7.086 -3.004 13.844 1.00 19.82 N ATOM 14 CA CYS A 2 7.711 -1.712 13.578 1.00 14.98 C ATOM 15 C CYS A 2 6.722 -0.571 13.532 1.00 16.85 C ATOM 16 O CYS A 2 5.680 -0.691 12.905 1.00 21.88 O ATOM 17 CB CYS A 2 8.434 -1.701 12.215 1.00 14.98 C ATOM 18 SG CYS A 2 9.461 -3.142 11.861 1.00 16.51 S ATOM 19 HA CYS A 2 8.406 -1.573 14.406 1.00 0.00 H ATOM 20 HB2 CYS A 2 9.073 -0.818 12.182 1.00 0.00 H ATOM 21 HB3 CYS A 2 7.676 -1.630 11.435 1.00 0.00 H ATOM 22 H CYS A 2 6.664 -3.530 13.052 1.00 0.00 H ATOM 23 N ASP A 3 7.072 0.547 14.180 1.00 12.38 N ATOM 24 CA ASP A 3 6.213 1.700 14.148 1.00 16.50 C ATOM 25 C ASP A 3 6.386 2.369 12.789 1.00 17.80 C ATOM 26 O ASP A 3 5.485 3.022 12.268 1.00 18.00 O ATOM 27 CB ASP A 3 6.563 2.667 15.286 1.00 15.53 C ATOM 28 CG ASP A 3 6.172 2.087 16.620 1.00 22.20 C ATOM 29 OD1 ASP A 3 5.068 1.625 16.850 1.00 29.18 O ATOM 30 OD2 ASP A 3 7.144 2.103 17.489 1.00 19.62 O ATOM 31 HA ASP A 3 5.174 1.404 14.289 1.00 0.00 H ATOM 32 HB2 ASP A 3 7.637 2.855 15.278 1.00 0.00 H ATOM 33 HB3 ASP A 3 6.030 3.606 15.134 1.00 0.00 H ATOM 34 H ASP A 3 7.967 0.582 14.708 1.00 0.00 H ATOM 35 N TYR A 4 7.586 2.197 12.229 1.00 14.24 N ATOM 36 CA TYR A 4 7.947 2.724 10.923 1.00 12.62 C ATOM 37 C TYR A 4 8.811 1.706 10.224 1.00 14.76 C ATOM 38 O TYR A 4 9.738 1.149 10.804 1.00 12.81 O ATOM 39 CB TYR A 4 8.747 4.044 10.972 1.00 17.15 C ATOM 40 CG TYR A 4 8.027 5.171 11.672 1.00 18.46 C ATOM 41 CD1 TYR A 4 7.203 6.034 10.950 1.00 25.33 C ATOM 42 CD2 TYR A 4 8.177 5.371 13.044 1.00 20.07 C ATOM 43 CE1 TYR A 4 6.528 7.080 11.579 1.00 20.80 C ATOM 44 CE2 TYR A 4 7.511 6.411 13.690 1.00 16.88 C ATOM 45 CZ TYR A 4 6.690 7.264 12.950 1.00 23.89 C ATOM 46 OH TYR A 4 6.045 8.295 13.584 1.00 38.39 O ATOM 47 HA TYR A 4 7.010 2.928 10.405 1.00 0.00 H ATOM 48 HB3 TYR A 4 8.959 4.355 9.949 1.00 0.00 H ATOM 49 HB2 TYR A 4 9.685 3.858 11.496 1.00 0.00 H ATOM 50 HD2 TYR A 4 8.823 4.706 13.618 1.00 0.00 H ATOM 51 HE2 TYR A 4 7.630 6.557 14.764 1.00 0.00 H ATOM 52 HE1 TYR A 4 5.882 7.745 11.005 1.00 0.00 H ATOM 53 HD1 TYR A 4 7.085 5.889 9.876 1.00 0.00 H ATOM 54 HH TYR A 4 5.450 7.929 14.285 1.00 0.00 H ATOM 55 H TYR A 4 8.301 1.657 12.756 1.00 0.00 H ATOM 56 N THR A 5 8.502 1.463 8.976 1.00 13.67 N ATOM 57 CA THR A 5 9.260 0.513 8.177 1.00 14.00 C ATOM 58 C THR A 5 9.773 1.242 6.941 1.00 13.83 C ATOM 59 O THR A 5 8.959 1.747 6.160 1.00 15.35 O ATOM 60 CB THR A 5 8.379 -0.707 7.753 1.00 26.29 C ATOM 61 OG1 THR A 5 7.746 -1.295 8.876 1.00 19.36 O ATOM 62 CG2 THR A 5 9.238 -1.759 7.072 1.00 17.35 C ATOM 63 HA THR A 5 10.089 0.124 8.768 1.00 0.00 H ATOM 64 HB THR A 5 7.617 -0.341 7.065 1.00 0.00 H ATOM 65 HG1 THR A 5 7.167 -0.623 9.316 1.00 0.00 H ATOM 66 HG23 THR A 5 9.731 -1.318 6.205 1.00 0.00 H ATOM 67 HG21 THR A 5 9.989 -2.122 7.773 1.00 0.00 H ATOM 68 HG22 THR A 5 8.608 -2.588 6.751 1.00 0.00 H ATOM 69 H THR A 5 7.696 1.960 8.546 1.00 0.00 H ATOM 70 N CYS A 6 11.111 1.325 6.802 1.00 13.76 N ATOM 71 CA CYS A 6 11.775 1.989 5.685 1.00 12.54 C ATOM 72 C CYS A 6 12.488 0.933 4.876 1.00 13.52 C ATOM 73 O CYS A 6 13.575 0.510 5.249 1.00 15.18 O ATOM 74 CB CYS A 6 12.810 3.009 6.215 1.00 13.08 C ATOM 75 SG CYS A 6 12.080 4.313 7.230 1.00 16.14 S ATOM 76 HA CYS A 6 11.043 2.517 5.075 1.00 0.00 H ATOM 77 HB2 CYS A 6 13.307 3.472 5.362 1.00 0.00 H ATOM 78 HB3 CYS A 6 13.546 2.474 6.816 1.00 0.00 H ATOM 79 H CYS A 6 11.706 0.889 7.535 1.00 0.00 H ATOM 80 N GLY A 7 11.877 0.474 3.792 1.00 17.66 N ATOM 81 CA GLY A 7 12.511 -0.576 2.998 1.00 12.51 C ATOM 82 C GLY A 7 12.573 -1.797 3.900 1.00 15.12 C ATOM 83 O GLY A 7 11.537 -2.305 4.317 1.00 20.31 O ATOM 84 HA3 GLY A 7 13.515 -0.273 2.699 1.00 0.00 H ATOM 85 HA2 GLY A 7 11.918 -0.790 2.109 1.00 0.00 H ATOM 86 H GLY A 7 10.953 0.859 3.509 1.00 0.00 H ATOM 87 N SER A 8 13.771 -2.250 4.260 1.00 20.43 N ATOM 88 CA SER A 8 13.827 -3.386 5.160 1.00 35.57 C ATOM 89 C SER A 8 14.126 -2.962 6.601 1.00 41.88 C ATOM 90 O SER A 8 14.161 -3.780 7.500 1.00 28.48 O ATOM 91 CB SER A 8 14.772 -4.501 4.718 1.00 17.37 C ATOM 92 OG SER A 8 15.487 -4.167 3.549 1.00 34.91 O ATOM 93 HA SER A 8 12.825 -3.812 5.120 1.00 0.00 H ATOM 94 HB2 SER A 8 14.187 -5.401 4.526 1.00 0.00 H ATOM 95 HB3 SER A 8 15.484 -4.696 5.520 1.00 0.00 H ATOM 96 HG SER A 8 16.028 -3.355 3.715 1.00 0.00 H ATOM 97 H SER A 8 14.641 -1.803 3.907 1.00 0.00 H ATOM 98 N ASN A 9 14.344 -1.677 6.839 1.00 13.93 N ATOM 99 CA ASN A 9 14.661 -1.200 8.192 1.00 8.12 C ATOM 100 C ASN A 9 13.441 -0.994 9.088 1.00 11.74 C ATOM 101 O ASN A 9 12.421 -0.452 8.678 1.00 17.18 O ATOM 102 CB ASN A 9 15.511 0.075 8.131 1.00 13.32 C ATOM 103 CG ASN A 9 16.782 -0.205 7.391 1.00 18.98 C ATOM 104 OD1 ASN A 9 17.243 -1.355 7.378 1.00 19.61 O ATOM 105 ND2 ASN A 9 17.345 0.819 6.756 1.00 13.96 N ATOM 106 HA ASN A 9 15.235 -2.000 8.659 1.00 0.00 H ATOM 107 HB2 ASN A 9 14.955 0.858 7.615 1.00 0.00 H ATOM 108 HB3 ASN A 9 15.745 0.404 9.143 1.00 0.00 H ATOM 109 HD22 ASN A 9 16.911 1.763 6.804 1.00 0.00 H ATOM 110 HD21 ASN A 9 18.220 0.676 6.212 1.00 0.00 H ATOM 111 H ASN A 9 14.290 -0.995 6.056 1.00 0.00 H ATOM 112 N CYS A 10 13.581 -1.424 10.328 1.00 12.55 N ATOM 113 CA CYS A 10 12.535 -1.349 11.327 1.00 11.70 C ATOM 114 C CYS A 10 12.882 -0.353 12.425 1.00 14.28 C ATOM 115 O CYS A 10 13.944 -0.444 13.031 1.00 15.64 O ATOM 116 CB CYS A 10 12.398 -2.773 11.932 1.00 16.52 C ATOM 117 SG CYS A 10 11.032 -2.963 13.093 1.00 17.20 S ATOM 118 HA CYS A 10 11.604 -1.010 10.872 1.00 0.00 H ATOM 119 HB2 CYS A 10 13.325 -3.012 12.454 1.00 0.00 H ATOM 120 HB3 CYS A 10 12.251 -3.478 11.114 1.00 0.00 H ATOM 121 H CYS A 10 14.494 -1.840 10.603 1.00 0.00 H ATOM 122 N TYR A 11 11.970 0.595 12.684 1.00 13.61 N ATOM 123 CA TYR A 11 12.183 1.594 13.710 1.00 15.87 C ATOM 124 C TYR A 11 11.015 1.683 14.654 1.00 15.53 C ATOM 125 O TYR A 11 9.859 1.638 14.224 1.00 14.57 O ATOM 126 CB TYR A 11 12.327 3.003 13.083 1.00 7.12 C ATOM 127 CG TYR A 11 13.506 3.067 12.167 1.00 13.22 C ATOM 128 CD1 TYR A 11 14.792 2.927 12.686 1.00 10.42 C ATOM 129 CD2 TYR A 11 13.338 3.245 10.793 1.00 14.70 C ATOM 130 CE1 TYR A 11 15.916 2.975 11.857 1.00 10.51 C ATOM 131 CE2 TYR A 11 14.445 3.283 9.947 1.00 10.13 C ATOM 132 CZ TYR A 11 15.728 3.142 10.486 1.00 10.55 C ATOM 133 OH TYR A 11 16.825 3.181 9.671 1.00 14.42 O ATOM 134 HA TYR A 11 13.087 1.291 14.239 1.00 0.00 H ATOM 135 HB3 TYR A 11 12.455 3.736 13.880 1.00 0.00 H ATOM 136 HB2 TYR A 11 11.424 3.236 12.518 1.00 0.00 H ATOM 137 HD2 TYR A 11 12.336 3.355 10.379 1.00 0.00 H ATOM 138 HE2 TYR A 11 14.312 3.421 8.874 1.00 0.00 H ATOM 139 HE1 TYR A 11 16.919 2.884 12.274 1.00 0.00 H ATOM 140 HD1 TYR A 11 14.923 2.777 13.758 1.00 0.00 H ATOM 141 HH TYR A 11 16.766 2.451 9.004 1.00 0.00 H ATOM 142 H TYR A 11 11.087 0.613 12.134 1.00 0.00 H ATOM 143 N SER A 12 11.323 1.852 15.935 1.00 12.22 N ATOM 144 CA SER A 12 10.281 2.026 16.932 1.00 16.14 C ATOM 145 C SER A 12 10.146 3.531 17.152 1.00 22.75 C ATOM 146 O SER A 12 11.009 4.287 16.727 1.00 11.30 O ATOM 147 CB SER A 12 10.672 1.373 18.247 1.00 14.09 C ATOM 148 OG SER A 12 11.830 2.015 18.753 1.00 13.76 O ATOM 149 HA SER A 12 9.351 1.569 16.593 1.00 0.00 H ATOM 150 HB2 SER A 12 10.882 0.316 18.083 1.00 0.00 H ATOM 151 HB3 SER A 12 9.856 1.473 18.962 1.00 0.00 H ATOM 152 HG SER A 12 12.569 1.923 18.101 1.00 0.00 H ATOM 153 H SER A 12 12.321 1.860 16.227 1.00 0.00 H ATOM 154 N SER A 13 9.077 3.985 17.811 1.00 14.10 N ATOM 155 CA SER A 13 8.894 5.400 18.096 1.00 13.13 C ATOM 156 C SER A 13 10.093 5.968 18.868 1.00 20.92 C ATOM 157 O SER A 13 10.522 7.109 18.642 1.00 16.34 O ATOM 158 CB SER A 13 7.586 5.671 18.858 1.00 15.12 C ATOM 159 OG SER A 13 6.497 5.342 18.025 1.00 40.82 O ATOM 160 HA SER A 13 8.827 5.910 17.135 1.00 0.00 H ATOM 161 HB2 SER A 13 7.533 6.725 19.132 1.00 0.00 H ATOM 162 HB3 SER A 13 7.554 5.061 19.761 1.00 0.00 H ATOM 163 HG SER A 13 6.549 4.385 17.778 1.00 0.00 H ATOM 164 H SER A 13 8.355 3.308 18.130 1.00 0.00 H ATOM 165 N SER A 14 10.645 5.163 19.797 1.00 15.32 N ATOM 166 CA SER A 14 11.804 5.576 20.592 1.00 11.94 C ATOM 167 C SER A 14 13.026 5.914 19.723 1.00 16.23 C ATOM 168 O SER A 14 13.758 6.871 20.007 1.00 15.27 O ATOM 169 CB SER A 14 12.161 4.556 21.674 1.00 19.15 C ATOM 170 OG SER A 14 12.429 3.284 21.091 1.00 18.50 O ATOM 171 HA SER A 14 11.505 6.495 21.097 1.00 0.00 H ATOM 172 HB2 SER A 14 11.327 4.464 22.370 1.00 0.00 H ATOM 173 HB3 SER A 14 13.045 4.898 22.212 1.00 0.00 H ATOM 174 HG SER A 14 13.188 3.364 20.461 1.00 0.00 H ATOM 175 H SER A 14 10.236 4.220 19.954 1.00 0.00 H ATOM 176 N ASP A 15 13.246 5.119 18.656 1.00 13.04 N ATOM 177 CA ASP A 15 14.357 5.354 17.731 1.00 11.17 C ATOM 178 C ASP A 15 14.185 6.713 17.047 1.00 12.49 C ATOM 179 O ASP A 15 15.132 7.470 16.873 1.00 14.36 O ATOM 180 CB ASP A 15 14.382 4.295 16.608 1.00 11.62 C ATOM 181 CG ASP A 15 14.879 2.951 17.045 1.00 12.20 C ATOM 182 OD1 ASP A 15 15.757 2.799 17.852 1.00 14.05 O ATOM 183 OD2 ASP A 15 14.246 1.974 16.463 1.00 11.96 O ATOM 184 HA ASP A 15 15.276 5.310 18.315 1.00 0.00 H ATOM 185 HB2 ASP A 15 13.368 4.177 16.225 1.00 0.00 H ATOM 186 HB3 ASP A 15 15.030 4.657 15.810 1.00 0.00 H ATOM 187 H ASP A 15 12.608 4.316 18.485 1.00 0.00 H ATOM 188 N VAL A 16 12.951 6.995 16.638 1.00 13.44 N ATOM 189 CA VAL A 16 12.598 8.239 15.954 1.00 13.81 C ATOM 190 C VAL A 16 12.817 9.448 16.884 1.00 14.72 C ATOM 191 O VAL A 16 13.443 10.457 16.519 1.00 13.88 O ATOM 192 CB VAL A 16 11.191 8.145 15.316 1.00 14.05 C ATOM 193 CG1 VAL A 16 10.715 9.485 14.744 1.00 18.02 C ATOM 194 CG2 VAL A 16 11.192 7.116 14.194 1.00 11.62 C ATOM 195 HA VAL A 16 13.270 8.401 15.111 1.00 0.00 H ATOM 196 HB VAL A 16 10.508 7.850 16.112 1.00 0.00 H ATOM 197 HG11 VAL A 16 10.673 10.225 15.543 1.00 0.00 H ATOM 198 HG12 VAL A 16 11.411 9.818 13.975 1.00 0.00 H ATOM 199 HG13 VAL A 16 9.723 9.361 14.309 1.00 0.00 H ATOM 200 HG21 VAL A 16 11.912 7.413 13.431 1.00 0.00 H ATOM 201 HG22 VAL A 16 11.468 6.142 14.597 1.00 0.00 H ATOM 202 HG23 VAL A 16 10.197 7.060 13.754 1.00 0.00 H ATOM 203 H VAL A 16 12.200 6.297 16.813 1.00 0.00 H ATOM 204 N SER A 17 12.317 9.331 18.109 1.00 13.79 N ATOM 205 CA SER A 17 12.460 10.372 19.123 1.00 14.53 C ATOM 206 C SER A 17 13.921 10.684 19.415 1.00 15.33 C ATOM 207 O SER A 17 14.338 11.837 19.571 1.00 16.66 O ATOM 208 CB SER A 17 11.758 9.963 20.415 1.00 18.34 C ATOM 209 OG SER A 17 10.369 10.020 20.185 1.00 32.67 O ATOM 210 HA SER A 17 11.994 11.273 18.724 1.00 0.00 H ATOM 211 HB2 SER A 17 12.030 10.648 21.218 1.00 0.00 H ATOM 212 HB3 SER A 17 12.048 8.949 20.690 1.00 0.00 H ATOM 213 HG SER A 17 9.888 9.759 21.010 1.00 0.00 H ATOM 214 H SER A 17 11.802 8.462 18.356 1.00 0.00 H ATOM 215 N THR A 18 14.711 9.637 19.515 1.00 14.39 N ATOM 216 CA THR A 18 16.129 9.771 19.783 1.00 15.64 C ATOM 217 C THR A 18 16.822 10.500 18.653 1.00 17.48 C ATOM 218 O THR A 18 17.534 11.453 18.913 1.00 17.10 O ATOM 219 CB THR A 18 16.788 8.424 20.061 1.00 19.34 C ATOM 220 OG1 THR A 18 16.219 7.908 21.249 1.00 18.37 O ATOM 221 CG2 THR A 18 18.297 8.588 20.204 1.00 18.81 C ATOM 222 HA THR A 18 16.236 10.368 20.689 1.00 0.00 H ATOM 223 HB THR A 18 16.617 7.735 19.234 1.00 0.00 H ATOM 224 HG1 THR A 18 16.629 7.031 21.456 1.00 0.00 H ATOM 225 HG23 THR A 18 18.707 8.986 19.276 1.00 0.00 H ATOM 226 HG21 THR A 18 18.511 9.276 21.022 1.00 0.00 H ATOM 227 HG22 THR A 18 18.748 7.619 20.416 1.00 0.00 H ATOM 228 H THR A 18 14.307 8.686 19.398 1.00 0.00 H ATOM 229 N ALA A 19 16.605 10.055 17.410 1.00 14.44 N ATOM 230 CA ALA A 19 17.199 10.704 16.221 1.00 17.04 C ATOM 231 C ALA A 19 16.770 12.191 16.090 1.00 17.18 C ATOM 232 O ALA A 19 17.584 13.089 15.869 1.00 12.03 O ATOM 233 CB ALA A 19 16.852 9.937 14.947 1.00 12.30 C ATOM 234 HA ALA A 19 18.280 10.684 16.358 1.00 0.00 H ATOM 235 HB1 ALA A 19 17.238 8.920 15.020 1.00 0.00 H ATOM 236 HB2 ALA A 19 15.769 9.908 14.825 1.00 0.00 H ATOM 237 HB3 ALA A 19 17.302 10.437 14.089 1.00 0.00 H ATOM 238 H ALA A 19 15.997 9.222 17.275 1.00 0.00 H ATOM 239 N GLN A 20 15.477 12.466 16.238 1.00 12.92 N ATOM 240 CA GLN A 20 14.974 13.838 16.147 1.00 15.15 C ATOM 241 C GLN A 20 15.576 14.766 17.192 1.00 15.88 C ATOM 242 O GLN A 20 15.898 15.912 16.907 1.00 15.37 O ATOM 243 CB GLN A 20 13.451 13.884 16.254 1.00 13.58 C ATOM 244 CG GLN A 20 12.865 15.303 16.127 1.00 12.14 C ATOM 245 CD GLN A 20 11.379 15.261 16.389 1.00 21.94 C ATOM 246 OE1 GLN A 20 10.789 14.176 16.387 1.00 23.78 O ATOM 247 NE2 GLN A 20 10.771 16.419 16.641 1.00 23.90 N ATOM 248 HA GLN A 20 15.283 14.194 15.165 1.00 0.00 H ATOM 249 HB2 GLN A 20 13.031 13.265 15.461 1.00 0.00 H ATOM 250 HB3 GLN A 20 13.161 13.477 17.223 1.00 0.00 H ATOM 251 HG2 GLN A 20 13.344 15.960 16.853 1.00 0.00 H ATOM 252 HG3 GLN A 20 13.046 15.682 15.121 1.00 0.00 H ATOM 253 HE22 GLN A 20 11.315 17.305 16.630 1.00 0.00 H ATOM 254 HE21 GLN A 20 9.752 16.437 16.849 1.00 0.00 H ATOM 255 H GLN A 20 14.809 11.690 16.422 1.00 0.00 H ATOM 256 N ALA A 21 15.727 14.272 18.415 1.00 15.47 N ATOM 257 CA ALA A 21 16.294 15.076 19.481 1.00 15.06 C ATOM 258 C ALA A 21 17.708 15.501 19.142 1.00 13.91 C ATOM 259 O ALA A 21 18.119 16.635 19.362 1.00 14.49 O ATOM 260 CB ALA A 21 16.285 14.299 20.786 1.00 15.09 C ATOM 261 HA ALA A 21 15.682 15.971 19.594 1.00 0.00 H ATOM 262 HB1 ALA A 21 15.259 14.036 21.044 1.00 0.00 H ATOM 263 HB2 ALA A 21 16.876 13.391 20.671 1.00 0.00 H ATOM 264 HB3 ALA A 21 16.713 14.915 21.577 1.00 0.00 H ATOM 265 H ALA A 21 15.434 13.294 18.612 1.00 0.00 H ATOM 266 N ALA A 22 18.459 14.566 18.601 1.00 12.41 N ATOM 267 CA ALA A 22 19.832 14.815 18.237 1.00 14.50 C ATOM 268 C ALA A 22 19.962 15.836 17.111 1.00 17.51 C ATOM 269 O ALA A 22 20.769 16.777 17.194 1.00 15.36 O ATOM 270 CB ALA A 22 20.523 13.503 17.880 1.00 15.65 C ATOM 271 HA ALA A 22 20.330 15.252 19.103 1.00 0.00 H ATOM 272 HB1 ALA A 22 20.495 12.833 18.740 1.00 0.00 H ATOM 273 HB2 ALA A 22 20.007 13.039 17.039 1.00 0.00 H ATOM 274 HB3 ALA A 22 21.559 13.702 17.607 1.00 0.00 H ATOM 275 H ALA A 22 18.052 13.624 18.432 1.00 0.00 H ATOM 276 N GLY A 23 19.176 15.621 16.047 1.00 11.49 N ATOM 277 CA GLY A 23 19.182 16.487 14.888 1.00 12.43 C ATOM 278 C GLY A 23 18.711 17.887 15.248 1.00 16.82 C ATOM 279 O GLY A 23 19.273 18.884 14.796 1.00 16.51 O ATOM 280 HA3 GLY A 23 18.518 16.072 14.130 1.00 0.00 H ATOM 281 HA2 GLY A 23 20.195 16.543 14.491 1.00 0.00 H ATOM 282 H GLY A 23 18.537 14.800 16.055 1.00 0.00 H ATOM 283 N TYR A 24 17.678 17.962 16.083 1.00 15.23 N ATOM 284 CA TYR A 24 17.148 19.256 16.496 1.00 13.65 C ATOM 285 C TYR A 24 18.158 20.088 17.287 1.00 17.30 C ATOM 286 O TYR A 24 18.285 21.291 17.096 1.00 16.08 O ATOM 287 CB TYR A 24 15.749 19.216 17.151 1.00 14.19 C ATOM 288 CG TYR A 24 15.157 20.614 17.147 1.00 13.28 C ATOM 289 CD1 TYR A 24 14.480 21.104 16.028 1.00 14.16 C ATOM 290 CD2 TYR A 24 15.317 21.452 18.251 1.00 17.75 C ATOM 291 CE1 TYR A 24 13.953 22.395 15.994 1.00 10.73 C ATOM 292 CE2 TYR A 24 14.796 22.748 18.231 1.00 21.67 C ATOM 293 CZ TYR A 24 14.110 23.216 17.109 1.00 14.41 C ATOM 294 OH TYR A 24 13.603 24.495 17.099 1.00 16.05 O ATOM 295 HA TYR A 24 16.979 19.783 15.557 1.00 0.00 H ATOM 296 HB3 TYR A 24 15.836 18.860 18.177 1.00 0.00 H ATOM 297 HB2 TYR A 24 15.101 18.544 16.588 1.00 0.00 H ATOM 298 HD2 TYR A 24 15.850 21.094 19.132 1.00 0.00 H ATOM 299 HE2 TYR A 24 14.926 23.398 19.097 1.00 0.00 H ATOM 300 HE1 TYR A 24 13.427 22.756 15.110 1.00 0.00 H ATOM 301 HD1 TYR A 24 14.360 20.460 15.157 1.00 0.00 H ATOM 302 HH TYR A 24 13.150 24.663 16.235 1.00 0.00 H ATOM 303 H TYR A 24 17.244 17.089 16.445 1.00 0.00 H ATOM 304 N LYS A 25 18.887 19.428 18.169 1.00 8.71 N ATOM 305 CA LYS A 25 19.899 20.095 18.979 1.00 16.58 C ATOM 306 C LYS A 25 20.976 20.736 18.093 1.00 13.59 C ATOM 307 O LYS A 25 21.419 21.871 18.330 1.00 14.41 O ATOM 308 CB LYS A 25 20.477 19.109 19.998 1.00 13.38 C ATOM 309 CG LYS A 25 21.647 19.631 20.828 1.00 23.14 C ATOM 310 CD LYS A 25 21.384 20.989 21.462 1.00 35.05 C ATOM 311 HA LYS A 25 19.440 20.911 19.537 1.00 0.00 H ATOM 312 HB2 LYS A 25 19.678 18.827 20.684 1.00 0.00 H ATOM 313 HB3 LYS A 25 20.817 18.226 19.456 1.00 0.00 H ATOM 314 HG2 LYS A 25 21.854 18.914 21.622 1.00 0.00 H ATOM 315 HG3 LYS A 25 22.519 19.716 20.180 1.00 0.00 H ATOM 316 HD2 LYS A 25 21.186 21.722 20.680 1.00 0.00 H ATOM 317 HD3 LYS A 25 20.520 20.919 22.123 1.00 0.00 H ATOM 318 H LYS A 25 18.735 18.406 18.289 1.00 0.00 H ATOM 319 N LEU A 26 21.409 19.994 17.063 1.00 13.79 N ATOM 320 CA LEU A 26 22.420 20.482 16.136 1.00 10.51 C ATOM 321 C LEU A 26 21.884 21.738 15.465 1.00 11.81 C ATOM 322 O LEU A 26 22.581 22.735 15.331 1.00 14.23 O ATOM 323 CB LEU A 26 22.737 19.448 15.034 1.00 13.58 C ATOM 324 CG LEU A 26 24.096 18.759 15.138 1.00 30.64 C ATOM 325 CD1 LEU A 26 24.606 18.757 16.560 1.00 24.37 C ATOM 326 CD2 LEU A 26 23.998 17.327 14.634 1.00 28.01 C ATOM 327 HA LEU A 26 23.333 20.677 16.698 1.00 0.00 H ATOM 328 HB2 LEU A 26 21.968 18.677 15.068 1.00 0.00 H ATOM 329 HB3 LEU A 26 22.694 19.960 14.073 1.00 0.00 H ATOM 330 HG LEU A 26 24.799 19.319 14.521 1.00 0.00 H ATOM 331 HD21 LEU A 26 23.273 16.780 15.236 1.00 0.00 H ATOM 332 HD22 LEU A 26 23.678 17.331 13.592 1.00 0.00 H ATOM 333 HD23 LEU A 26 24.974 16.848 14.714 1.00 0.00 H ATOM 334 HD11 LEU A 26 24.711 19.784 16.908 1.00 0.00 H ATOM 335 HD12 LEU A 26 23.899 18.226 17.198 1.00 0.00 H ATOM 336 HD13 LEU A 26 25.575 18.259 16.596 1.00 0.00 H ATOM 337 H LEU A 26 21.011 19.043 16.923 1.00 0.00 H ATOM 338 N HIS A 27 20.609 21.664 15.047 1.00 14.33 N ATOM 339 CA HIS A 27 19.938 22.777 14.387 1.00 13.25 C ATOM 340 C HIS A 27 19.927 24.043 15.271 1.00 15.29 C ATOM 341 O HIS A 27 20.213 25.159 14.817 1.00 15.89 O ATOM 342 CB HIS A 27 18.531 22.363 13.865 1.00 14.29 C ATOM 343 CG HIS A 27 17.745 23.498 13.294 1.00 15.35 C ATOM 344 ND1 HIS A 27 18.035 24.030 12.044 1.00 18.68 N ATOM 345 CD2 HIS A 27 16.711 24.198 13.823 1.00 18.07 C ATOM 346 CE1 HIS A 27 17.184 25.029 11.842 1.00 12.04 C ATOM 347 NE2 HIS A 27 16.377 25.150 12.888 1.00 20.74 N ATOM 348 HA HIS A 27 20.516 23.046 13.503 1.00 0.00 H ATOM 349 HB2 HIS A 27 18.660 21.608 13.089 1.00 0.00 H ATOM 350 HB3 HIS A 27 17.967 21.937 14.695 1.00 0.00 H ATOM 351 HD2 HIS A 27 16.240 24.039 14.793 1.00 0.00 H ATOM 352 HE1 HIS A 27 17.153 25.656 10.951 1.00 0.00 H ATOM 353 H HIS A 27 20.082 20.781 15.200 1.00 0.00 H ATOM 354 N GLU A 28 19.602 23.863 16.552 1.00 12.20 N ATOM 355 CA GLU A 28 19.571 24.982 17.472 1.00 13.79 C ATOM 356 C GLU A 28 20.954 25.611 17.586 1.00 20.08 C ATOM 357 O GLU A 28 21.098 26.835 17.706 1.00 15.19 O ATOM 358 CB GLU A 28 19.150 24.504 18.881 1.00 12.90 C ATOM 359 CG GLU A 28 17.639 24.291 19.047 1.00 16.70 C ATOM 360 CD GLU A 28 17.267 23.856 20.449 1.00 37.09 C ATOM 361 OE1 GLU A 28 18.137 23.036 20.980 1.00 23.11 O ATOM 362 OE2 GLU A 28 16.259 24.225 21.020 1.00 26.96 O ATOM 363 HA GLU A 28 18.856 25.710 17.090 1.00 0.00 H ATOM 364 HB2 GLU A 28 19.653 23.559 19.087 1.00 0.00 H ATOM 365 HB3 GLU A 28 19.472 25.251 19.606 1.00 0.00 H ATOM 366 HG2 GLU A 28 17.127 25.227 18.823 1.00 0.00 H ATOM 367 HG3 GLU A 28 17.314 23.523 18.344 1.00 0.00 H ATOM 368 H GLU A 28 19.368 22.909 16.894 1.00 0.00 H ATOM 369 N ASP A 29 21.973 24.741 17.571 1.00 14.27 N ATOM 370 CA ASP A 29 23.378 25.151 17.711 1.00 12.65 C ATOM 371 C ASP A 29 24.052 25.691 16.458 1.00 14.26 C ATOM 372 O ASP A 29 25.220 26.109 16.503 1.00 17.52 O ATOM 373 CB ASP A 29 24.216 23.976 18.234 1.00 18.92 C ATOM 374 CG ASP A 29 23.805 23.527 19.597 1.00 41.94 C ATOM 375 OD1 ASP A 29 23.034 24.153 20.299 1.00 31.63 O ATOM 376 OD2 ASP A 29 24.358 22.387 19.938 1.00 35.84 O ATOM 377 HA ASP A 29 23.338 25.986 18.411 1.00 0.00 H ATOM 378 HB2 ASP A 29 24.108 23.138 17.545 1.00 0.00 H ATOM 379 HB3 ASP A 29 25.261 24.283 18.270 1.00 0.00 H ATOM 380 H ASP A 29 21.760 23.730 17.455 1.00 0.00 H ATOM 381 N GLY A 30 23.322 25.663 15.342 1.00 10.84 N ATOM 382 CA GLY A 30 23.861 26.129 14.075 1.00 13.81 C ATOM 383 C GLY A 30 25.039 25.270 13.674 1.00 20.14 C ATOM 384 O GLY A 30 26.035 25.763 13.165 1.00 19.43 O ATOM 385 HA3 GLY A 30 24.186 27.164 14.178 1.00 0.00 H ATOM 386 HA2 GLY A 30 23.089 26.067 13.308 1.00 0.00 H ATOM 387 H GLY A 30 22.348 25.301 15.379 1.00 0.00 H ATOM 388 N GLU A 31 24.899 23.966 13.916 1.00 13.18 N ATOM 389 CA GLU A 31 25.951 23.002 13.623 1.00 12.17 C ATOM 390 C GLU A 31 25.473 21.880 12.707 1.00 15.69 C ATOM 391 O GLU A 31 24.282 21.629 12.615 1.00 11.23 O ATOM 392 CB GLU A 31 26.407 22.391 14.965 1.00 16.92 C ATOM 393 CG GLU A 31 27.572 21.412 14.860 1.00 30.74 C ATOM 394 CD GLU A 31 28.859 22.083 14.487 1.00 19.67 C ATOM 395 OE1 GLU A 31 29.010 23.290 14.462 1.00 37.47 O ATOM 396 OE2 GLU A 31 29.788 21.216 14.178 1.00 23.89 O ATOM 397 HA GLU A 31 26.762 23.517 13.108 1.00 0.00 H ATOM 398 HB2 GLU A 31 26.707 23.206 15.624 1.00 0.00 H ATOM 399 HB3 GLU A 31 25.559 21.864 15.403 1.00 0.00 H ATOM 400 HG2 GLU A 31 27.702 20.919 15.824 1.00 0.00 H ATOM 401 HG3 GLU A 31 27.334 20.667 14.101 1.00 0.00 H ATOM 402 H GLU A 31 24.007 23.625 14.329 1.00 0.00 H ATOM 403 N THR A 32 26.421 21.211 12.048 1.00 10.71 N ATOM 404 CA THR A 32 26.134 20.086 11.153 1.00 12.55 C ATOM 405 C THR A 32 27.247 19.052 11.251 1.00 22.29 C ATOM 406 O THR A 32 28.350 19.344 11.709 1.00 14.86 O ATOM 407 CB THR A 32 26.031 20.502 9.664 1.00 9.56 C ATOM 408 OG1 THR A 32 27.258 21.105 9.279 1.00 17.55 O ATOM 409 CG2 THR A 32 24.899 21.489 9.450 1.00 10.92 C ATOM 410 HA THR A 32 25.171 19.687 11.473 1.00 0.00 H ATOM 411 HB THR A 32 25.829 19.616 9.061 1.00 0.00 H ATOM 412 HG1 THR A 32 27.995 20.455 9.399 1.00 0.00 H ATOM 413 HG23 THR A 32 23.956 21.028 9.745 1.00 0.00 H ATOM 414 HG21 THR A 32 25.075 22.378 10.055 1.00 0.00 H ATOM 415 HG22 THR A 32 24.855 21.767 8.397 1.00 0.00 H ATOM 416 H THR A 32 27.411 21.502 12.175 1.00 0.00 H ATOM 417 N VAL A 33 26.962 17.833 10.809 1.00 12.66 N ATOM 418 CA VAL A 33 27.955 16.775 10.820 1.00 16.22 C ATOM 419 C VAL A 33 27.891 16.021 9.501 1.00 12.90 C ATOM 420 O VAL A 33 26.850 15.981 8.844 1.00 9.91 O ATOM 421 CB VAL A 33 27.908 15.826 12.027 1.00 17.19 C ATOM 422 CG1 VAL A 33 28.115 16.599 13.326 1.00 32.63 C ATOM 423 CG2 VAL A 33 26.579 15.099 12.078 1.00 17.54 C ATOM 424 HA VAL A 33 28.922 17.266 10.934 1.00 0.00 H ATOM 425 HB VAL A 33 28.711 15.097 11.915 1.00 0.00 H ATOM 426 HG11 VAL A 33 29.086 17.093 13.302 1.00 0.00 H ATOM 427 HG12 VAL A 33 27.328 17.346 13.432 1.00 0.00 H ATOM 428 HG13 VAL A 33 28.078 15.908 14.168 1.00 0.00 H ATOM 429 HG21 VAL A 33 25.772 15.826 12.166 1.00 0.00 H ATOM 430 HG22 VAL A 33 26.449 14.519 11.165 1.00 0.00 H ATOM 431 HG23 VAL A 33 26.564 14.431 12.940 1.00 0.00 H ATOM 432 H VAL A 33 26.008 17.632 10.448 1.00 0.00 H ATOM 433 N GLY A 34 29.014 15.438 9.096 1.00 16.68 N ATOM 434 CA GLY A 34 29.035 14.686 7.854 1.00 22.94 C ATOM 435 C GLY A 34 29.350 15.520 6.611 1.00 25.26 C ATOM 436 O GLY A 34 29.209 16.737 6.562 1.00 17.36 O ATOM 437 HA3 GLY A 34 28.056 14.227 7.717 1.00 0.00 H ATOM 438 HA2 GLY A 34 29.791 13.906 7.941 1.00 0.00 H ATOM 439 H GLY A 34 29.878 15.520 9.669 1.00 0.00 H ATOM 440 N SER A 35 29.781 14.834 5.572 1.00 24.99 N ATOM 441 CA SER A 35 30.114 15.491 4.326 1.00 19.11 C ATOM 442 C SER A 35 28.917 16.223 3.728 1.00 20.18 C ATOM 443 O SER A 35 29.093 17.242 3.071 1.00 22.46 O ATOM 444 CB SER A 35 30.696 14.501 3.303 1.00 31.39 C ATOM 445 OG SER A 35 29.692 13.592 2.854 1.00 29.61 O ATOM 446 HA SER A 35 30.878 16.232 4.562 1.00 0.00 H ATOM 447 HB2 SER A 35 31.506 13.939 3.769 1.00 0.00 H ATOM 448 HB3 SER A 35 31.085 15.056 2.449 1.00 0.00 H ATOM 449 HG SER A 35 30.086 12.965 2.198 1.00 0.00 H ATOM 450 H SER A 35 29.884 13.802 5.648 1.00 0.00 H ATOM 451 N ASN A 36 27.710 15.682 3.952 1.00 15.91 N ATOM 452 CA ASN A 36 26.465 16.236 3.445 1.00 14.73 C ATOM 453 C ASN A 36 25.812 17.256 4.372 1.00 14.47 C ATOM 454 O ASN A 36 24.692 17.700 4.139 1.00 15.47 O ATOM 455 CB ASN A 36 25.436 15.180 3.016 1.00 21.25 C ATOM 456 CG ASN A 36 25.962 14.121 2.066 1.00 43.69 C ATOM 457 OD1 ASN A 36 25.276 13.104 1.826 1.00 35.85 O ATOM 458 ND2 ASN A 36 27.158 14.346 1.514 1.00 38.95 N ATOM 459 HA ASN A 36 26.786 16.766 2.548 1.00 0.00 H ATOM 460 HB2 ASN A 36 25.071 14.679 3.913 1.00 0.00 H ATOM 461 HB3 ASN A 36 24.609 15.693 2.526 1.00 0.00 H ATOM 462 HD22 ASN A 36 27.685 15.211 1.750 1.00 0.00 H ATOM 463 HD21 ASN A 36 27.561 13.657 0.848 1.00 0.00 H ATOM 464 H ASN A 36 27.662 14.814 4.523 1.00 0.00 H ATOM 465 N SER A 37 26.503 17.615 5.434 1.00 14.27 N ATOM 466 CA SER A 37 26.000 18.618 6.359 1.00 16.26 C ATOM 467 C SER A 37 24.600 18.425 6.919 1.00 18.27 C ATOM 468 O SER A 37 23.697 19.206 6.595 1.00 17.08 O ATOM 469 CB SER A 37 26.119 20.014 5.730 1.00 19.59 C ATOM 470 OG SER A 37 27.468 20.218 5.338 1.00 22.76 O ATOM 471 HA SER A 37 26.641 18.499 7.232 1.00 0.00 H ATOM 472 HB2 SER A 37 25.829 20.772 6.458 1.00 0.00 H ATOM 473 HB3 SER A 37 25.468 20.081 4.858 1.00 0.00 H ATOM 474 HG SER A 37 28.055 20.154 6.133 1.00 0.00 H ATOM 475 H SER A 37 27.427 17.172 5.615 1.00 0.00 H ATOM 476 N TYR A 38 24.429 17.426 7.798 1.00 13.68 N ATOM 477 CA TYR A 38 23.148 17.182 8.430 1.00 13.21 C ATOM 478 C TYR A 38 23.135 17.837 9.812 1.00 13.07 C ATOM 479 O TYR A 38 24.157 17.840 10.490 1.00 12.43 O ATOM 480 CB TYR A 38 22.914 15.677 8.609 1.00 10.34 C ATOM 481 CG TYR A 38 22.771 14.991 7.294 1.00 10.67 C ATOM 482 CD1 TYR A 38 21.604 15.138 6.546 1.00 11.31 C ATOM 483 CD2 TYR A 38 23.808 14.205 6.788 1.00 13.01 C ATOM 484 CE1 TYR A 38 21.479 14.501 5.307 1.00 13.08 C ATOM 485 CE2 TYR A 38 23.689 13.558 5.557 1.00 16.05 C ATOM 486 CZ TYR A 38 22.515 13.704 4.816 1.00 12.42 C ATOM 487 OH TYR A 38 22.387 13.086 3.591 1.00 17.15 O ATOM 488 HA TYR A 38 22.365 17.599 7.797 1.00 0.00 H ATOM 489 HB3 TYR A 38 22.004 15.525 9.190 1.00 0.00 H ATOM 490 HB2 TYR A 38 23.761 15.247 9.144 1.00 0.00 H ATOM 491 HD2 TYR A 38 24.727 14.095 7.364 1.00 0.00 H ATOM 492 HE2 TYR A 38 24.506 12.944 5.178 1.00 0.00 H ATOM 493 HE1 TYR A 38 20.568 14.627 4.722 1.00 0.00 H ATOM 494 HD1 TYR A 38 20.787 15.751 6.927 1.00 0.00 H ATOM 495 HH TYR A 38 21.498 13.295 3.208 1.00 0.00 H ATOM 496 H TYR A 38 25.235 16.812 8.031 1.00 0.00 H ATOM 497 N PRO A 39 21.986 18.388 10.251 1.00 13.80 N ATOM 498 CA PRO A 39 20.737 18.407 9.495 1.00 8.19 C ATOM 499 C PRO A 39 20.747 19.511 8.452 1.00 17.54 C ATOM 500 O PRO A 39 21.405 20.525 8.622 1.00 16.89 O ATOM 501 CB PRO A 39 19.649 18.738 10.513 1.00 10.64 C ATOM 502 CG PRO A 39 20.356 19.344 11.730 1.00 12.05 C ATOM 503 CD PRO A 39 21.852 19.100 11.550 1.00 15.25 C ATOM 504 HA PRO A 39 20.584 17.455 8.986 1.00 0.00 H ATOM 505 HD3 PRO A 39 22.392 20.046 11.523 1.00 0.00 H ATOM 506 HD2 PRO A 39 22.238 18.485 12.363 1.00 0.00 H ATOM 507 HG3 PRO A 39 20.006 18.863 12.643 1.00 0.00 H ATOM 508 HG2 PRO A 39 20.156 20.414 11.784 1.00 0.00 H ATOM 509 HB2 PRO A 39 18.945 19.455 10.091 1.00 0.00 H ATOM 510 HB3 PRO A 39 19.115 17.832 10.801 1.00 0.00 H ATOM 511 N HIS A 40 20.013 19.310 7.372 1.00 11.49 N ATOM 512 CA HIS A 40 19.942 20.298 6.319 1.00 10.41 C ATOM 513 C HIS A 40 18.508 20.492 5.879 1.00 14.00 C ATOM 514 O HIS A 40 17.657 19.655 6.128 1.00 14.09 O ATOM 515 CB HIS A 40 20.919 20.034 5.165 1.00 10.80 C ATOM 516 CG HIS A 40 20.492 18.928 4.254 1.00 13.63 C ATOM 517 ND1 HIS A 40 19.323 19.004 3.523 1.00 17.69 N ATOM 518 CD2 HIS A 40 21.094 17.745 3.961 1.00 14.03 C ATOM 519 CE1 HIS A 40 19.240 17.897 2.809 1.00 15.39 C ATOM 520 NE2 HIS A 40 20.283 17.107 3.043 1.00 15.71 N ATOM 521 HA HIS A 40 20.285 21.248 6.730 1.00 0.00 H ATOM 522 HB2 HIS A 40 21.012 20.947 4.577 1.00 0.00 H ATOM 523 HB3 HIS A 40 21.890 19.776 5.588 1.00 0.00 H ATOM 524 HD2 HIS A 40 22.033 17.373 4.370 1.00 0.00 H ATOM 525 HE1 HIS A 40 18.427 17.663 2.121 1.00 0.00 H ATOM 526 H HIS A 40 19.476 18.424 7.278 1.00 0.00 H ATOM 527 N LYS A 41 18.230 21.620 5.242 1.00 13.73 N ATOM 528 CA LYS A 41 16.871 21.905 4.800 1.00 13.23 C ATOM 529 C LYS A 41 16.268 20.815 3.922 1.00 12.60 C ATOM 530 O LYS A 41 16.952 20.201 3.118 1.00 14.35 O ATOM 531 CB LYS A 41 16.787 23.269 4.120 1.00 12.48 C ATOM 532 CG LYS A 41 15.418 23.914 4.254 1.00 36.03 C ATOM 533 HA LYS A 41 16.264 21.927 5.705 1.00 0.00 H ATOM 534 HB2 LYS A 41 17.528 23.929 4.571 1.00 0.00 H ATOM 535 HB3 LYS A 41 17.011 23.144 3.061 1.00 0.00 H ATOM 536 HG2 LYS A 41 14.667 23.268 3.798 1.00 0.00 H ATOM 537 HG3 LYS A 41 15.186 24.054 5.310 1.00 0.00 H ATOM 538 H LYS A 41 18.988 22.308 5.056 1.00 0.00 H ATOM 539 N TYR A 42 14.963 20.593 4.091 1.00 16.51 N ATOM 540 CA TYR A 42 14.224 19.618 3.318 1.00 18.02 C ATOM 541 C TYR A 42 13.073 20.321 2.600 1.00 16.50 C ATOM 542 O TYR A 42 12.282 21.014 3.230 1.00 16.73 O ATOM 543 CB TYR A 42 13.692 18.433 4.170 1.00 13.73 C ATOM 544 CG TYR A 42 12.793 17.524 3.353 1.00 13.43 C ATOM 545 CD1 TYR A 42 13.347 16.613 2.450 1.00 19.94 C ATOM 546 CD2 TYR A 42 11.403 17.589 3.455 1.00 17.45 C ATOM 547 CE1 TYR A 42 12.544 15.783 1.669 1.00 14.75 C ATOM 548 CE2 TYR A 42 10.584 16.761 2.685 1.00 20.03 C ATOM 549 CZ TYR A 42 11.160 15.859 1.789 1.00 17.34 C ATOM 550 OH TYR A 42 10.401 15.016 1.019 1.00 35.30 O ATOM 551 HA TYR A 42 14.914 19.181 2.596 1.00 0.00 H ATOM 552 HB3 TYR A 42 13.125 18.828 5.013 1.00 0.00 H ATOM 553 HB2 TYR A 42 14.538 17.855 4.542 1.00 0.00 H ATOM 554 HD2 TYR A 42 10.949 18.298 4.147 1.00 0.00 H ATOM 555 HE2 TYR A 42 9.500 16.819 2.783 1.00 0.00 H ATOM 556 HE1 TYR A 42 12.997 15.080 0.970 1.00 0.00 H ATOM 557 HD1 TYR A 42 14.431 16.550 2.354 1.00 0.00 H ATOM 558 HH TYR A 42 9.800 15.550 0.441 1.00 0.00 H ATOM 559 H TYR A 42 14.454 21.145 4.810 1.00 0.00 H ATOM 560 N ASN A 43 12.990 20.157 1.284 1.00 14.08 N ATOM 561 CA ASN A 43 11.914 20.762 0.496 1.00 15.84 C ATOM 562 C ASN A 43 10.928 19.664 0.069 1.00 14.84 C ATOM 563 O ASN A 43 11.290 18.658 -0.534 1.00 17.34 O ATOM 564 CB ASN A 43 12.467 21.614 -0.675 1.00 24.69 C ATOM 565 CG ASN A 43 13.252 22.848 -0.190 1.00 12.34 C ATOM 566 OD1 ASN A 43 12.678 23.853 0.271 1.00 25.07 O ATOM 567 ND2 ASN A 43 14.568 22.779 -0.308 1.00 19.84 N ATOM 568 HA ASN A 43 11.360 21.475 1.107 1.00 0.00 H ATOM 569 HB2 ASN A 43 13.130 20.992 -1.277 1.00 0.00 H ATOM 570 HB3 ASN A 43 11.631 21.950 -1.288 1.00 0.00 H ATOM 571 HD22 ASN A 43 15.011 21.923 -0.698 1.00 0.00 H ATOM 572 HD21 ASN A 43 15.159 23.581 -0.011 1.00 0.00 H ATOM 573 H ASN A 43 13.709 19.583 0.800 1.00 0.00 H ATOM 574 N ASN A 44 9.674 19.824 0.416 1.00 13.20 N ATOM 575 CA ASN A 44 8.661 18.809 0.110 1.00 15.96 C ATOM 576 C ASN A 44 8.113 18.865 -1.312 1.00 14.40 C ATOM 577 O ASN A 44 6.905 18.953 -1.501 1.00 14.10 O ATOM 578 CB ASN A 44 7.517 19.013 1.092 1.00 16.07 C ATOM 579 CG ASN A 44 6.551 17.864 1.137 1.00 16.47 C ATOM 580 OD1 ASN A 44 6.884 16.751 0.719 1.00 19.89 O ATOM 581 ND2 ASN A 44 5.361 18.135 1.656 1.00 14.88 N ATOM 582 HA ASN A 44 9.137 17.832 0.199 1.00 0.00 H ATOM 583 HB2 ASN A 44 7.938 19.149 2.088 1.00 0.00 H ATOM 584 HB3 ASN A 44 6.971 19.911 0.804 1.00 0.00 H ATOM 585 HD22 ASN A 44 5.146 19.096 1.990 1.00 0.00 H ATOM 586 HD21 ASN A 44 4.643 17.386 1.729 1.00 0.00 H ATOM 587 H ASN A 44 9.392 20.689 0.919 1.00 0.00 H ATOM 588 N TYR A 45 8.989 18.808 -2.304 1.00 16.77 N ATOM 589 CA TYR A 45 8.559 18.877 -3.691 1.00 17.95 C ATOM 590 C TYR A 45 7.702 17.693 -4.131 1.00 18.70 C ATOM 591 O TYR A 45 7.005 17.779 -5.121 1.00 16.62 O ATOM 592 CB TYR A 45 9.696 19.219 -4.690 1.00 10.33 C ATOM 593 CG TYR A 45 10.776 18.174 -4.723 1.00 18.47 C ATOM 594 CD1 TYR A 45 10.643 17.022 -5.497 1.00 17.87 C ATOM 595 CD2 TYR A 45 11.947 18.341 -3.982 1.00 25.11 C ATOM 596 CE1 TYR A 45 11.649 16.057 -5.528 1.00 25.91 C ATOM 597 CE2 TYR A 45 12.957 17.381 -3.991 1.00 31.10 C ATOM 598 CZ TYR A 45 12.804 16.233 -4.767 1.00 29.80 C ATOM 599 OH TYR A 45 13.794 15.274 -4.792 1.00 31.43 O ATOM 600 HA TYR A 45 7.892 19.738 -3.722 1.00 0.00 H ATOM 601 HB3 TYR A 45 10.141 20.171 -4.400 1.00 0.00 H ATOM 602 HB2 TYR A 45 9.268 19.309 -5.688 1.00 0.00 H ATOM 603 HD2 TYR A 45 12.074 19.243 -3.383 1.00 0.00 H ATOM 604 HE2 TYR A 45 13.859 17.526 -3.396 1.00 0.00 H ATOM 605 HE1 TYR A 45 11.533 15.167 -6.146 1.00 0.00 H ATOM 606 HD1 TYR A 45 9.739 16.873 -6.087 1.00 0.00 H ATOM 607 HH TYR A 45 13.937 14.925 -3.877 1.00 0.00 H ATOM 608 H TYR A 45 10.002 18.712 -2.087 1.00 0.00 H ATOM 609 N GLN A 46 7.732 16.586 -3.380 1.00 15.97 N ATOM 610 CA GLN A 46 6.927 15.423 -3.732 1.00 14.77 C ATOM 611 C GLN A 46 5.545 15.484 -3.127 1.00 18.13 C ATOM 612 O GLN A 46 4.684 14.628 -3.370 1.00 16.01 O ATOM 613 CB GLN A 46 7.622 14.105 -3.386 1.00 14.24 C ATOM 614 CG GLN A 46 8.816 13.855 -4.304 1.00 22.10 C ATOM 615 CD GLN A 46 9.580 12.626 -3.882 1.00 19.10 C ATOM 616 OE1 GLN A 46 10.726 12.723 -3.396 1.00 16.99 O ATOM 617 NE2 GLN A 46 8.941 11.475 -4.051 1.00 22.02 N ATOM 618 HA GLN A 46 6.813 15.452 -4.816 1.00 0.00 H ATOM 619 HB2 GLN A 46 7.969 14.146 -2.353 1.00 0.00 H ATOM 620 HB3 GLN A 46 6.910 13.287 -3.497 1.00 0.00 H ATOM 621 HG2 GLN A 46 8.458 13.719 -5.324 1.00 0.00 H ATOM 622 HG3 GLN A 46 9.481 14.718 -4.266 1.00 0.00 H ATOM 623 HE22 GLN A 46 7.986 11.466 -4.463 1.00 0.00 H ATOM 624 HE21 GLN A 46 9.395 10.582 -3.772 1.00 0.00 H ATOM 625 H GLN A 46 8.337 16.555 -2.535 1.00 0.00 H ATOM 626 N GLY A 47 5.345 16.521 -2.331 1.00 16.74 N ATOM 627 CA GLY A 47 4.074 16.775 -1.686 1.00 17.79 C ATOM 628 C GLY A 47 3.606 15.735 -0.680 1.00 27.40 C ATOM 629 O GLY A 47 2.430 15.362 -0.684 1.00 16.51 O ATOM 630 HA3 GLY A 47 3.315 16.848 -2.465 1.00 0.00 H ATOM 631 HA2 GLY A 47 4.151 17.729 -1.165 1.00 0.00 H ATOM 632 H GLY A 47 6.132 17.180 -2.162 1.00 0.00 H ATOM 633 N PHE A 48 4.505 15.284 0.195 1.00 14.96 N ATOM 634 CA PHE A 48 4.095 14.311 1.209 1.00 12.44 C ATOM 635 C PHE A 48 3.112 14.974 2.136 1.00 19.28 C ATOM 636 O PHE A 48 3.211 16.165 2.371 1.00 20.04 O ATOM 637 CB PHE A 48 5.251 13.747 2.041 1.00 11.95 C ATOM 638 CG PHE A 48 6.259 12.995 1.217 1.00 23.11 C ATOM 639 CD1 PHE A 48 5.845 12.077 0.250 1.00 28.21 C ATOM 640 CD2 PHE A 48 7.624 13.200 1.411 1.00 18.16 C ATOM 641 CE1 PHE A 48 6.774 11.369 -0.510 1.00 16.96 C ATOM 642 CE2 PHE A 48 8.574 12.510 0.658 1.00 20.59 C ATOM 643 CZ PHE A 48 8.135 11.587 -0.293 1.00 16.74 C ATOM 644 HA PHE A 48 3.658 13.467 0.675 1.00 0.00 H ATOM 645 HB2 PHE A 48 5.757 14.575 2.538 1.00 0.00 H ATOM 646 HB3 PHE A 48 4.841 13.070 2.791 1.00 0.00 H ATOM 647 HD2 PHE A 48 7.955 13.913 2.166 1.00 0.00 H ATOM 648 HE2 PHE A 48 9.639 12.688 0.809 1.00 0.00 H ATOM 649 HZ PHE A 48 8.867 11.028 -0.875 1.00 0.00 H ATOM 650 HE1 PHE A 48 6.442 10.655 -1.264 1.00 0.00 H ATOM 651 HD1 PHE A 48 4.780 11.912 0.087 1.00 0.00 H ATOM 652 H PHE A 48 5.488 15.620 0.158 1.00 0.00 H ATOM 653 N ASP A 49 2.173 14.196 2.648 1.00 20.63 N ATOM 654 CA ASP A 49 1.165 14.721 3.534 1.00 31.21 C ATOM 655 C ASP A 49 1.652 14.984 4.955 1.00 24.94 C ATOM 656 O ASP A 49 1.327 14.249 5.881 1.00 41.30 O ATOM 657 CB ASP A 49 -0.117 13.862 3.528 1.00 35.69 C ATOM 658 CG ASP A 49 -1.276 14.567 4.170 1.00 44.59 C ATOM 659 OD1 ASP A 49 -1.493 15.762 3.676 1.00 60.00 O ATOM 660 OD2 ASP A 49 -1.943 14.065 5.052 1.00 60.00 O ATOM 661 HA ASP A 49 0.919 15.701 3.124 1.00 0.00 H ATOM 662 HB2 ASP A 49 -0.377 13.627 2.496 1.00 0.00 H ATOM 663 HB3 ASP A 49 0.077 12.938 4.072 1.00 0.00 H ATOM 664 H ASP A 49 2.162 13.185 2.406 1.00 0.00 H ATOM 665 N PHE A 50 2.435 16.042 5.130 1.00 27.39 N ATOM 666 CA PHE A 50 2.935 16.400 6.451 1.00 23.48 C ATOM 667 C PHE A 50 1.887 17.285 7.106 1.00 30.40 C ATOM 668 O PHE A 50 1.358 18.198 6.463 1.00 32.69 O ATOM 669 CB PHE A 50 4.276 17.161 6.400 1.00 24.90 C ATOM 670 CG PHE A 50 5.439 16.359 5.885 1.00 22.17 C ATOM 671 CD1 PHE A 50 5.493 14.970 6.026 1.00 20.02 C ATOM 672 CD2 PHE A 50 6.495 17.015 5.253 1.00 21.17 C ATOM 673 CE1 PHE A 50 6.574 14.236 5.540 1.00 16.23 C ATOM 674 CE2 PHE A 50 7.584 16.297 4.763 1.00 30.24 C ATOM 675 CZ PHE A 50 7.620 14.910 4.915 1.00 25.08 C ATOM 676 HA PHE A 50 3.115 15.484 7.013 1.00 0.00 H ATOM 677 HB2 PHE A 50 4.149 18.029 5.752 1.00 0.00 H ATOM 678 HB3 PHE A 50 4.515 17.495 7.410 1.00 0.00 H ATOM 679 HD2 PHE A 50 6.468 18.099 5.141 1.00 0.00 H ATOM 680 HE2 PHE A 50 8.403 16.815 4.264 1.00 0.00 H ATOM 681 HZ PHE A 50 8.476 14.349 4.541 1.00 0.00 H ATOM 682 HE1 PHE A 50 6.600 13.152 5.648 1.00 0.00 H ATOM 683 HD1 PHE A 50 4.675 14.451 6.525 1.00 0.00 H ATOM 684 H PHE A 50 2.696 16.626 4.310 1.00 0.00 H ATOM 685 N SER A 51 1.597 16.998 8.369 1.00 27.99 N ATOM 686 CA SER A 51 0.603 17.729 9.120 1.00 54.07 C ATOM 687 C SER A 51 1.102 18.928 9.909 1.00 60.00 C ATOM 688 O SER A 51 0.323 19.607 10.574 1.00 40.90 O ATOM 689 CB SER A 51 -0.223 16.790 9.957 1.00 31.49 C ATOM 690 OG SER A 51 -1.044 16.053 9.075 1.00 60.00 O ATOM 691 HA SER A 51 -0.032 18.192 8.365 1.00 0.00 H ATOM 692 HB2 SER A 51 -0.839 17.356 10.655 1.00 0.00 H ATOM 693 HB3 SER A 51 0.428 16.115 10.513 1.00 0.00 H ATOM 694 HG SER A 51 -1.603 15.423 9.595 1.00 0.00 H ATOM 695 H SER A 51 2.104 16.218 8.835 1.00 0.00 H ATOM 696 N VAL A 52 2.398 19.180 9.822 1.00 20.89 N ATOM 697 CA VAL A 52 3.030 20.294 10.499 1.00 25.20 C ATOM 698 C VAL A 52 3.591 21.212 9.443 1.00 29.09 C ATOM 699 O VAL A 52 3.866 20.768 8.331 1.00 27.33 O ATOM 700 CB VAL A 52 4.093 19.830 11.484 1.00 29.20 C ATOM 701 CG1 VAL A 52 3.444 18.920 12.516 1.00 24.38 C ATOM 702 CG2 VAL A 52 5.205 19.088 10.753 1.00 18.14 C ATOM 703 HA VAL A 52 2.297 20.831 11.101 1.00 0.00 H ATOM 704 HB VAL A 52 4.531 20.695 11.982 1.00 0.00 H ATOM 705 HG11 VAL A 52 2.665 19.470 13.045 1.00 0.00 H ATOM 706 HG12 VAL A 52 3.005 18.058 12.014 1.00 0.00 H ATOM 707 HG13 VAL A 52 4.199 18.582 13.226 1.00 0.00 H ATOM 708 HG21 VAL A 52 4.787 18.219 10.245 1.00 0.00 H ATOM 709 HG22 VAL A 52 5.664 19.753 10.021 1.00 0.00 H ATOM 710 HG23 VAL A 52 5.957 18.763 11.472 1.00 0.00 H ATOM 711 H VAL A 52 2.989 18.551 9.242 1.00 0.00 H ATOM 712 N SER A 53 3.756 22.487 9.765 1.00 22.48 N ATOM 713 CA SER A 53 4.263 23.416 8.772 1.00 17.41 C ATOM 714 C SER A 53 5.769 23.437 8.637 1.00 22.98 C ATOM 715 O SER A 53 6.510 23.025 9.522 1.00 20.57 O ATOM 716 CB SER A 53 3.781 24.811 9.063 1.00 36.12 C ATOM 717 OG SER A 53 3.983 25.060 10.432 1.00 60.00 O ATOM 718 HA SER A 53 3.870 23.053 7.822 1.00 0.00 H ATOM 719 HB2 SER A 53 2.721 24.895 8.823 1.00 0.00 H ATOM 720 HB3 SER A 53 4.345 25.530 8.468 1.00 0.00 H ATOM 721 HG SER A 53 3.673 25.975 10.649 1.00 0.00 H ATOM 722 H SER A 53 3.524 22.819 10.723 1.00 0.00 H ATOM 723 N SER A 54 6.195 23.949 7.499 1.00 15.77 N ATOM 724 CA SER A 54 7.590 24.094 7.182 1.00 21.99 C ATOM 725 C SER A 54 8.062 25.376 7.861 1.00 29.44 C ATOM 726 O SER A 54 7.248 26.081 8.451 1.00 28.18 O ATOM 727 CB SER A 54 7.780 24.167 5.674 1.00 29.24 C ATOM 728 OG SER A 54 6.992 25.218 5.148 1.00 33.12 O ATOM 729 HA SER A 54 8.170 23.241 7.534 1.00 0.00 H ATOM 730 HB2 SER A 54 7.474 23.223 5.223 1.00 0.00 H ATOM 731 HB3 SER A 54 8.830 24.352 5.449 1.00 0.00 H ATOM 732 HG SER A 54 7.117 25.264 4.167 1.00 0.00 H ATOM 733 H SER A 54 5.491 24.262 6.800 1.00 0.00 H ATOM 734 N PRO A 55 9.350 25.691 7.808 1.00 21.43 N ATOM 735 CA PRO A 55 10.380 24.923 7.138 1.00 23.49 C ATOM 736 C PRO A 55 10.636 23.558 7.749 1.00 21.41 C ATOM 737 O PRO A 55 10.392 23.328 8.932 1.00 15.69 O ATOM 738 CB PRO A 55 11.672 25.737 7.283 1.00 19.72 C ATOM 739 CG PRO A 55 11.332 27.038 7.992 1.00 24.49 C ATOM 740 CD PRO A 55 9.865 26.966 8.381 1.00 20.00 C ATOM 741 HA PRO A 55 10.059 24.751 6.111 1.00 0.00 H ATOM 742 HD3 PRO A 55 9.760 26.964 9.466 1.00 0.00 H ATOM 743 HD2 PRO A 55 9.321 27.815 7.967 1.00 0.00 H ATOM 744 HG3 PRO A 55 11.501 27.883 7.324 1.00 0.00 H ATOM 745 HG2 PRO A 55 11.950 27.151 8.883 1.00 0.00 H ATOM 746 HB2 PRO A 55 12.399 25.175 7.869 1.00 0.00 H ATOM 747 HB3 PRO A 55 12.088 25.950 6.298 1.00 0.00 H ATOM 748 N TYR A 56 11.158 22.676 6.905 1.00 12.68 N ATOM 749 CA TYR A 56 11.498 21.329 7.298 1.00 18.78 C ATOM 750 C TYR A 56 12.985 21.104 7.205 1.00 10.06 C ATOM 751 O TYR A 56 13.674 21.726 6.384 1.00 11.84 O ATOM 752 CB TYR A 56 10.852 20.272 6.380 1.00 17.02 C ATOM 753 CG TYR A 56 9.365 20.392 6.270 1.00 15.55 C ATOM 754 CD1 TYR A 56 8.554 20.221 7.389 1.00 13.78 C ATOM 755 CD2 TYR A 56 8.769 20.665 5.038 1.00 22.35 C ATOM 756 CE1 TYR A 56 7.167 20.324 7.291 1.00 23.04 C ATOM 757 CE2 TYR A 56 7.384 20.773 4.920 1.00 23.86 C ATOM 758 CZ TYR A 56 6.590 20.605 6.053 1.00 24.40 C ATOM 759 OH TYR A 56 5.236 20.712 5.944 1.00 23.03 O ATOM 760 HA TYR A 56 11.133 21.221 8.319 1.00 0.00 H ATOM 761 HB3 TYR A 56 11.089 19.284 6.774 1.00 0.00 H ATOM 762 HB2 TYR A 56 11.280 20.376 5.383 1.00 0.00 H ATOM 763 HD2 TYR A 56 9.395 20.796 4.155 1.00 0.00 H ATOM 764 HE2 TYR A 56 6.928 20.986 3.953 1.00 0.00 H ATOM 765 HE1 TYR A 56 6.541 20.186 8.172 1.00 0.00 H ATOM 766 HD1 TYR A 56 9.010 20.004 8.355 1.00 0.00 H ATOM 767 HH TYR A 56 4.822 20.567 6.832 1.00 0.00 H ATOM 768 H TYR A 56 11.329 22.967 5.921 1.00 0.00 H ATOM 769 N TYR A 57 13.456 20.178 8.040 1.00 10.53 N ATOM 770 CA TYR A 57 14.851 19.762 8.088 1.00 13.37 C ATOM 771 C TYR A 57 14.933 18.230 8.111 1.00 9.14 C ATOM 772 O TYR A 57 14.067 17.577 8.676 1.00 13.90 O ATOM 773 CB TYR A 57 15.649 20.361 9.265 1.00 12.55 C ATOM 774 CG TYR A 57 15.577 21.861 9.252 1.00 14.66 C ATOM 775 CD1 TYR A 57 14.482 22.489 9.842 1.00 20.73 C ATOM 776 CD2 TYR A 57 16.558 22.634 8.628 1.00 14.78 C ATOM 777 CE1 TYR A 57 14.349 23.876 9.829 1.00 17.94 C ATOM 778 CE2 TYR A 57 16.446 24.026 8.617 1.00 16.38 C ATOM 779 CZ TYR A 57 15.343 24.640 9.220 1.00 19.85 C ATOM 780 OH TYR A 57 15.209 26.014 9.209 1.00 17.97 O ATOM 781 HA TYR A 57 15.320 20.155 7.186 1.00 0.00 H ATOM 782 HB3 TYR A 57 16.691 20.053 9.184 1.00 0.00 H ATOM 783 HB2 TYR A 57 15.234 19.991 10.203 1.00 0.00 H ATOM 784 HD2 TYR A 57 17.410 22.152 8.150 1.00 0.00 H ATOM 785 HE2 TYR A 57 17.216 24.632 8.140 1.00 0.00 H ATOM 786 HE1 TYR A 57 13.483 24.355 10.287 1.00 0.00 H ATOM 787 HD1 TYR A 57 13.714 21.883 10.323 1.00 0.00 H ATOM 788 HH TYR A 57 14.375 26.267 9.679 1.00 0.00 H ATOM 789 H TYR A 57 12.788 19.726 8.696 1.00 0.00 H ATOM 790 N GLU A 58 15.967 17.676 7.466 1.00 14.09 N ATOM 791 CA GLU A 58 16.176 16.236 7.424 1.00 14.97 C ATOM 792 C GLU A 58 17.424 15.841 8.192 1.00 11.95 C ATOM 793 O GLU A 58 18.428 16.539 8.149 1.00 10.82 O ATOM 794 CB GLU A 58 16.143 15.625 6.016 1.00 12.47 C ATOM 795 CG GLU A 58 17.198 16.215 5.099 1.00 17.42 C ATOM 796 CD GLU A 58 17.449 15.368 3.885 1.00 20.33 C ATOM 797 OE1 GLU A 58 18.036 14.238 4.155 1.00 16.77 O ATOM 798 OE2 GLU A 58 17.145 15.718 2.768 1.00 25.09 O ATOM 799 HA GLU A 58 15.312 15.801 7.926 1.00 0.00 H ATOM 800 HB2 GLU A 58 16.312 14.551 6.097 1.00 0.00 H ATOM 801 HB3 GLU A 58 15.161 15.805 5.580 1.00 0.00 H ATOM 802 HG2 GLU A 58 16.866 17.201 4.774 1.00 0.00 H ATOM 803 HG3 GLU A 58 18.130 16.312 5.656 1.00 0.00 H ATOM 804 H GLU A 58 16.645 18.296 6.978 1.00 0.00 H ATOM 805 N TRP A 59 17.334 14.712 8.916 1.00 13.10 N ATOM 806 CA TRP A 59 18.431 14.205 9.743 1.00 15.94 C ATOM 807 C TRP A 59 18.467 12.692 9.593 1.00 9.06 C ATOM 808 O TRP A 59 17.422 12.067 9.633 1.00 9.98 O ATOM 809 CB TRP A 59 18.196 14.607 11.226 1.00 13.46 C ATOM 810 CG TRP A 59 19.143 13.964 12.210 1.00 9.37 C ATOM 811 CD1 TRP A 59 18.842 12.946 13.072 1.00 10.53 C ATOM 812 CD2 TRP A 59 20.524 14.296 12.442 1.00 9.82 C ATOM 813 NE1 TRP A 59 19.947 12.619 13.822 1.00 11.07 N ATOM 814 CE2 TRP A 59 20.997 13.436 13.454 1.00 12.58 C ATOM 815 CE3 TRP A 59 21.405 15.234 11.895 1.00 9.37 C ATOM 816 CZ2 TRP A 59 22.312 13.501 13.918 1.00 12.90 C ATOM 817 CZ3 TRP A 59 22.703 15.282 12.353 1.00 14.71 C ATOM 818 CH2 TRP A 59 23.153 14.423 13.359 1.00 19.58 C ATOM 819 HA TRP A 59 19.384 14.629 9.427 1.00 0.00 H ATOM 820 HB2 TRP A 59 18.305 15.689 11.306 1.00 0.00 H ATOM 821 HB3 TRP A 59 17.179 14.324 11.498 1.00 0.00 H ATOM 822 HE1 TRP A 59 19.985 11.876 14.549 1.00 0.00 H ATOM 823 HD1 TRP A 59 17.868 12.464 13.153 1.00 0.00 H ATOM 824 HZ2 TRP A 59 22.660 12.833 14.706 1.00 0.00 H ATOM 825 HH2 TRP A 59 24.186 14.489 13.702 1.00 0.00 H ATOM 826 HZ3 TRP A 59 23.394 16.006 11.921 1.00 0.00 H ATOM 827 HE3 TRP A 59 21.069 15.918 11.116 1.00 0.00 H ATOM 828 H TRP A 59 16.444 14.174 8.888 1.00 0.00 H ATOM 829 N PRO A 60 19.637 12.102 9.411 1.00 12.89 N ATOM 830 CA PRO A 60 19.656 10.657 9.244 1.00 15.12 C ATOM 831 C PRO A 60 19.288 9.856 10.467 1.00 16.62 C ATOM 832 O PRO A 60 19.677 10.177 11.583 1.00 12.56 O ATOM 833 CB PRO A 60 21.087 10.281 8.822 1.00 12.12 C ATOM 834 CG PRO A 60 21.782 11.589 8.439 1.00 16.17 C ATOM 835 CD PRO A 60 20.981 12.688 9.136 1.00 8.31 C ATOM 836 HA PRO A 60 18.893 10.410 8.505 1.00 0.00 H ATOM 837 HD3 PRO A 60 21.466 12.978 10.068 1.00 0.00 H ATOM 838 HD2 PRO A 60 20.890 13.560 8.488 1.00 0.00 H ATOM 839 HG3 PRO A 60 21.764 11.729 7.358 1.00 0.00 H ATOM 840 HG2 PRO A 60 22.815 11.589 8.787 1.00 0.00 H ATOM 841 HB2 PRO A 60 21.611 9.803 9.650 1.00 0.00 H ATOM 842 HB3 PRO A 60 21.063 9.603 7.969 1.00 0.00 H ATOM 843 N ILE A 61 18.535 8.786 10.213 1.00 15.24 N ATOM 844 CA ILE A 61 18.154 7.829 11.237 1.00 10.55 C ATOM 845 C ILE A 61 18.831 6.530 10.773 1.00 7.57 C ATOM 846 O ILE A 61 18.688 6.128 9.603 1.00 10.82 O ATOM 847 CB ILE A 61 16.649 7.705 11.543 1.00 15.97 C ATOM 848 CG1 ILE A 61 16.444 6.703 12.687 1.00 10.07 C ATOM 849 CG2 ILE A 61 15.849 7.317 10.300 1.00 13.56 C ATOM 850 CD1 ILE A 61 15.036 6.718 13.269 1.00 13.61 C ATOM 851 HA ILE A 61 18.488 8.154 12.222 1.00 0.00 H ATOM 852 HB ILE A 61 16.272 8.679 11.857 1.00 0.00 H ATOM 853 HG12 ILE A 61 16.650 5.702 12.309 1.00 0.00 H ATOM 854 HG13 ILE A 61 17.149 6.941 13.484 1.00 0.00 H ATOM 855 HD11 ILE A 61 14.818 7.711 13.663 1.00 0.00 H ATOM 856 HD12 ILE A 61 14.318 6.470 12.487 1.00 0.00 H ATOM 857 HD13 ILE A 61 14.968 5.984 14.072 1.00 0.00 H ATOM 858 HG21 ILE A 61 15.982 8.079 9.532 1.00 0.00 H ATOM 859 HG22 ILE A 61 16.204 6.357 9.926 1.00 0.00 H ATOM 860 HG23 ILE A 61 14.793 7.240 10.559 1.00 0.00 H ATOM 861 H ILE A 61 18.206 8.629 9.239 1.00 0.00 H ATOM 862 N LEU A 62 19.604 5.910 11.673 1.00 11.90 N ATOM 863 CA LEU A 62 20.369 4.710 11.364 1.00 10.56 C ATOM 864 C LEU A 62 19.720 3.419 11.786 1.00 10.64 C ATOM 865 O LEU A 62 19.175 3.314 12.888 1.00 12.64 O ATOM 866 CB LEU A 62 21.774 4.791 11.998 1.00 11.83 C ATOM 867 CG LEU A 62 22.590 6.013 11.559 1.00 15.72 C ATOM 868 CD1 LEU A 62 23.948 5.939 12.245 1.00 14.48 C ATOM 869 CD2 LEU A 62 22.777 5.990 10.045 1.00 19.10 C ATOM 870 HA LEU A 62 20.425 4.687 10.276 1.00 0.00 H ATOM 871 HB2 LEU A 62 21.659 4.827 13.081 1.00 0.00 H ATOM 872 HB3 LEU A 62 22.327 3.893 11.722 1.00 0.00 H ATOM 873 HG LEU A 62 22.074 6.934 11.833 1.00 0.00 H ATOM 874 HD21 LEU A 62 23.305 5.080 9.759 1.00 0.00 H ATOM 875 HD22 LEU A 62 21.801 6.013 9.559 1.00 0.00 H ATOM 876 HD23 LEU A 62 23.357 6.860 9.739 1.00 0.00 H ATOM 877 HD11 LEU A 62 23.808 5.946 13.326 1.00 0.00 H ATOM 878 HD12 LEU A 62 24.454 5.020 11.949 1.00 0.00 H ATOM 879 HD13 LEU A 62 24.550 6.798 11.950 1.00 0.00 H ATOM 880 H LEU A 62 19.661 6.302 12.635 1.00 0.00 H ATOM 881 N SER A 63 19.814 2.411 10.906 1.00 11.01 N ATOM 882 CA SER A 63 19.207 1.112 11.205 1.00 13.67 C ATOM 883 C SER A 63 19.716 0.513 12.515 1.00 22.60 C ATOM 884 O SER A 63 18.959 -0.166 13.239 1.00 16.42 O ATOM 885 CB SER A 63 19.333 0.119 10.041 1.00 10.57 C ATOM 886 OG SER A 63 20.702 -0.199 9.807 1.00 14.08 O ATOM 887 HA SER A 63 18.143 1.307 11.339 1.00 0.00 H ATOM 888 HB2 SER A 63 18.908 0.564 9.141 1.00 0.00 H ATOM 889 HB3 SER A 63 18.789 -0.793 10.286 1.00 0.00 H ATOM 890 HG SER A 63 21.198 0.628 9.582 1.00 0.00 H ATOM 891 H SER A 63 20.320 2.552 10.008 1.00 0.00 H ATOM 892 N SER A 64 21.007 0.790 12.807 1.00 13.88 N ATOM 893 CA SER A 64 21.692 0.288 13.983 1.00 10.70 C ATOM 894 C SER A 64 21.169 0.783 15.313 1.00 19.61 C ATOM 895 O SER A 64 21.385 0.149 16.340 1.00 17.98 O ATOM 896 CB SER A 64 23.162 0.576 13.926 1.00 15.71 C ATOM 897 OG SER A 64 23.342 1.965 14.100 1.00 18.51 O ATOM 898 HA SER A 64 21.491 -0.783 13.945 1.00 0.00 H ATOM 899 HB2 SER A 64 23.562 0.269 12.960 1.00 0.00 H ATOM 900 HB3 SER A 64 23.676 0.034 14.719 1.00 0.00 H ATOM 901 HG SER A 64 24.308 2.178 14.066 1.00 0.00 H ATOM 902 H SER A 64 21.539 1.397 12.151 1.00 0.00 H ATOM 903 N GLY A 65 20.505 1.918 15.316 1.00 13.74 N ATOM 904 CA GLY A 65 19.987 2.460 16.567 1.00 16.58 C ATOM 905 C GLY A 65 20.936 3.513 17.121 1.00 24.27 C ATOM 906 O GLY A 65 20.647 4.213 18.082 1.00 18.64 O ATOM 907 HA3 GLY A 65 19.882 1.653 17.292 1.00 0.00 H ATOM 908 HA2 GLY A 65 19.012 2.914 16.386 1.00 0.00 H ATOM 909 H GLY A 65 20.349 2.430 14.424 1.00 0.00 H ATOM 910 N ASP A 66 22.093 3.636 16.501 1.00 17.83 N ATOM 911 CA ASP A 66 23.032 4.645 16.946 1.00 17.77 C ATOM 912 C ASP A 66 22.658 5.988 16.341 1.00 16.51 C ATOM 913 O ASP A 66 22.036 6.071 15.280 1.00 18.20 O ATOM 914 CB ASP A 66 24.433 4.372 16.435 1.00 12.90 C ATOM 915 CG ASP A 66 25.013 3.084 16.915 1.00 33.64 C ATOM 916 OD1 ASP A 66 24.717 2.818 18.162 1.00 40.03 O ATOM 917 OD2 ASP A 66 25.697 2.383 16.205 1.00 39.80 O ATOM 918 HA ASP A 66 23.001 4.638 18.036 1.00 0.00 H ATOM 919 HB2 ASP A 66 24.403 4.350 15.346 1.00 0.00 H ATOM 920 HB3 ASP A 66 25.082 5.184 16.763 1.00 0.00 H ATOM 921 H ASP A 66 22.329 3.015 15.701 1.00 0.00 H ATOM 922 N VAL A 67 23.075 7.050 17.015 1.00 14.17 N ATOM 923 CA VAL A 67 22.810 8.384 16.518 1.00 14.27 C ATOM 924 C VAL A 67 23.868 8.708 15.470 1.00 15.33 C ATOM 925 O VAL A 67 25.049 8.394 15.639 1.00 15.25 O ATOM 926 CB VAL A 67 22.767 9.395 17.670 1.00 19.31 C ATOM 927 CG1 VAL A 67 22.766 10.829 17.160 1.00 23.49 C ATOM 928 CG2 VAL A 67 21.518 9.139 18.526 1.00 24.00 C ATOM 929 HA VAL A 67 21.828 8.441 16.048 1.00 0.00 H ATOM 930 HB VAL A 67 23.665 9.262 18.274 1.00 0.00 H ATOM 931 HG11 VAL A 67 23.671 11.007 16.579 1.00 0.00 H ATOM 932 HG12 VAL A 67 21.891 10.988 16.530 1.00 0.00 H ATOM 933 HG13 VAL A 67 22.735 11.514 18.007 1.00 0.00 H ATOM 934 HG21 VAL A 67 20.627 9.251 17.909 1.00 0.00 H ATOM 935 HG22 VAL A 67 21.557 8.127 18.930 1.00 0.00 H ATOM 936 HG23 VAL A 67 21.487 9.857 19.345 1.00 0.00 H ATOM 937 H VAL A 67 23.596 6.925 17.906 1.00 0.00 H ATOM 938 N TYR A 68 23.427 9.314 14.375 1.00 16.21 N ATOM 939 CA TYR A 68 24.300 9.677 13.281 1.00 12.43 C ATOM 940 C TYR A 68 25.417 10.614 13.740 1.00 14.17 C ATOM 941 O TYR A 68 25.171 11.644 14.368 1.00 15.00 O ATOM 942 CB TYR A 68 23.504 10.328 12.131 1.00 13.50 C ATOM 943 CG TYR A 68 24.406 10.691 10.983 1.00 18.78 C ATOM 944 CD1 TYR A 68 24.980 9.695 10.190 1.00 14.02 C ATOM 945 CD2 TYR A 68 24.686 12.028 10.698 1.00 16.54 C ATOM 946 CE1 TYR A 68 25.817 10.006 9.120 1.00 8.29 C ATOM 947 CE2 TYR A 68 25.522 12.365 9.631 1.00 10.72 C ATOM 948 CZ TYR A 68 26.080 11.353 8.845 1.00 12.03 C ATOM 949 OH TYR A 68 26.922 11.685 7.816 1.00 14.24 O ATOM 950 HA TYR A 68 24.756 8.757 12.916 1.00 0.00 H ATOM 951 HB3 TYR A 68 23.018 11.231 12.501 1.00 0.00 H ATOM 952 HB2 TYR A 68 22.747 9.627 11.781 1.00 0.00 H ATOM 953 HD2 TYR A 68 24.249 12.815 11.313 1.00 0.00 H ATOM 954 HE2 TYR A 68 25.738 13.411 9.413 1.00 0.00 H ATOM 955 HE1 TYR A 68 26.257 9.217 8.510 1.00 0.00 H ATOM 956 HD1 TYR A 68 24.768 8.649 10.413 1.00 0.00 H ATOM 957 HH TYR A 68 27.228 10.860 7.362 1.00 0.00 H ATOM 958 H TYR A 68 22.414 9.537 14.301 1.00 0.00 H ATOM 959 N SER A 69 26.644 10.252 13.410 1.00 13.81 N ATOM 960 CA SER A 69 27.773 11.039 13.811 1.00 14.58 C ATOM 961 C SER A 69 28.719 11.501 12.712 1.00 28.14 C ATOM 962 O SER A 69 29.842 11.900 13.003 1.00 24.43 O ATOM 963 CB SER A 69 28.518 10.388 14.954 1.00 22.88 C ATOM 964 OG SER A 69 28.950 9.112 14.539 1.00 32.36 O ATOM 965 HA SER A 69 27.322 11.972 14.150 1.00 0.00 H ATOM 966 HB2 SER A 69 27.857 10.290 15.815 1.00 0.00 H ATOM 967 HB3 SER A 69 29.380 10.998 15.226 1.00 0.00 H ATOM 968 HG SER A 69 28.164 8.563 14.292 1.00 0.00 H ATOM 969 H SER A 69 26.792 9.386 12.853 1.00 0.00 H ATOM 970 N GLY A 70 28.292 11.490 11.453 1.00 20.53 N ATOM 971 CA GLY A 70 29.194 11.984 10.394 1.00 19.09 C ATOM 972 C GLY A 70 29.713 11.001 9.335 1.00 21.32 C ATOM 973 O GLY A 70 30.379 11.426 8.394 1.00 27.45 O ATOM 974 HA3 GLY A 70 30.067 12.408 10.891 1.00 0.00 H ATOM 975 HA2 GLY A 70 28.661 12.773 9.863 1.00 0.00 H ATOM 976 H GLY A 70 27.341 11.140 11.219 1.00 0.00 H ATOM 977 N GLY A 71 29.428 9.705 9.468 1.00 16.95 N ATOM 978 CA GLY A 71 29.893 8.741 8.488 1.00 20.25 C ATOM 979 C GLY A 71 28.847 8.546 7.405 1.00 10.58 C ATOM 980 O GLY A 71 28.228 9.521 6.954 1.00 14.47 O ATOM 981 HA3 GLY A 71 30.082 7.788 8.982 1.00 0.00 H ATOM 982 HA2 GLY A 71 30.816 9.104 8.036 1.00 0.00 H ATOM 983 H GLY A 71 28.867 9.382 10.282 1.00 0.00 H ATOM 984 N SER A 72 28.654 7.293 6.969 1.00 13.90 N ATOM 985 CA SER A 72 27.651 7.018 5.940 1.00 16.61 C ATOM 986 C SER A 72 26.279 7.274 6.546 1.00 17.30 C ATOM 987 O SER A 72 25.993 6.743 7.599 1.00 10.92 O ATOM 988 CB SER A 72 27.728 5.596 5.391 1.00 13.84 C ATOM 989 OG SER A 72 26.694 5.409 4.442 1.00 16.01 O ATOM 990 HA SER A 72 27.840 7.676 5.092 1.00 0.00 H ATOM 991 HB2 SER A 72 27.609 4.883 6.206 1.00 0.00 H ATOM 992 HB3 SER A 72 28.695 5.441 4.913 1.00 0.00 H ATOM 993 HG SER A 72 26.740 4.488 4.083 1.00 0.00 H ATOM 994 H SER A 72 29.219 6.514 7.363 1.00 0.00 H ATOM 995 N PRO A 73 25.433 8.099 5.910 1.00 13.62 N ATOM 996 CA PRO A 73 24.133 8.392 6.479 1.00 12.58 C ATOM 997 C PRO A 73 23.043 7.366 6.153 1.00 13.02 C ATOM 998 O PRO A 73 21.926 7.466 6.671 1.00 14.86 O ATOM 999 CB PRO A 73 23.720 9.736 5.857 1.00 11.30 C ATOM 1000 CG PRO A 73 24.457 9.815 4.533 1.00 11.88 C ATOM 1001 CD PRO A 73 25.672 8.908 4.670 1.00 10.23 C ATOM 1002 HA PRO A 73 24.222 8.390 7.565 1.00 0.00 H ATOM 1003 HD3 PRO A 73 25.761 8.256 3.801 1.00 0.00 H ATOM 1004 HD2 PRO A 73 26.581 9.501 4.772 1.00 0.00 H ATOM 1005 HG3 PRO A 73 24.770 10.840 4.335 1.00 0.00 H ATOM 1006 HG2 PRO A 73 23.816 9.469 3.722 1.00 0.00 H ATOM 1007 HB2 PRO A 73 22.642 9.766 5.696 1.00 0.00 H ATOM 1008 HB3 PRO A 73 24.012 10.562 6.506 1.00 0.00 H ATOM 1009 N GLY A 74 23.346 6.393 5.283 1.00 12.42 N ATOM 1010 CA GLY A 74 22.335 5.434 4.925 1.00 12.30 C ATOM 1011 C GLY A 74 21.248 6.120 4.094 1.00 15.38 C ATOM 1012 O GLY A 74 21.445 7.205 3.548 1.00 14.31 O ATOM 1013 HA3 GLY A 74 21.892 5.018 5.830 1.00 0.00 H ATOM 1014 HA2 GLY A 74 22.786 4.632 4.341 1.00 0.00 H ATOM 1015 H GLY A 74 24.299 6.332 4.872 1.00 0.00 H ATOM 1016 N ALA A 75 20.091 5.495 3.991 1.00 13.44 N ATOM 1017 CA ALA A 75 19.003 6.038 3.183 1.00 14.22 C ATOM 1018 C ALA A 75 17.821 6.625 3.909 1.00 12.05 C ATOM 1019 O ALA A 75 17.000 7.271 3.276 1.00 16.36 O ATOM 1020 CB ALA A 75 18.427 4.897 2.332 1.00 14.51 C ATOM 1021 HA ALA A 75 19.472 6.858 2.639 1.00 0.00 H ATOM 1022 HB1 ALA A 75 19.209 4.495 1.688 1.00 0.00 H ATOM 1023 HB2 ALA A 75 18.053 4.110 2.987 1.00 0.00 H ATOM 1024 HB3 ALA A 75 17.611 5.279 1.719 1.00 0.00 H ATOM 1025 H ALA A 75 19.951 4.597 4.496 1.00 0.00 H ATOM 1026 N ASP A 76 17.705 6.382 5.204 1.00 9.76 N ATOM 1027 CA ASP A 76 16.569 6.831 5.986 1.00 7.08 C ATOM 1028 C ASP A 76 16.765 8.157 6.675 1.00 10.26 C ATOM 1029 O ASP A 76 17.858 8.459 7.115 1.00 9.08 O ATOM 1030 CB ASP A 76 16.184 5.749 7.003 1.00 10.14 C ATOM 1031 CG ASP A 76 16.053 4.408 6.344 1.00 19.18 C ATOM 1032 OD1 ASP A 76 15.754 4.276 5.185 1.00 14.01 O ATOM 1033 OD2 ASP A 76 16.302 3.410 7.137 1.00 12.13 O ATOM 1034 HA ASP A 76 15.759 6.996 5.276 1.00 0.00 H ATOM 1035 HB2 ASP A 76 16.954 5.694 7.773 1.00 0.00 H ATOM 1036 HB3 ASP A 76 15.232 6.015 7.462 1.00 0.00 H ATOM 1037 H ASP A 76 18.459 5.847 5.681 1.00 0.00 H ATOM 1038 N ARG A 77 15.684 8.921 6.756 1.00 11.54 N ATOM 1039 CA ARG A 77 15.705 10.241 7.381 1.00 11.70 C ATOM 1040 C ARG A 77 14.465 10.556 8.192 1.00 11.62 C ATOM 1041 O ARG A 77 13.350 10.156 7.871 1.00 13.45 O ATOM 1042 CB ARG A 77 15.767 11.388 6.346 1.00 9.59 C ATOM 1043 CG ARG A 77 16.818 11.236 5.238 1.00 7.94 C ATOM 1044 CD ARG A 77 18.245 11.598 5.644 1.00 11.09 C ATOM 1045 NE ARG A 77 19.203 11.402 4.550 1.00 11.58 N ATOM 1046 CZ ARG A 77 19.923 10.297 4.381 1.00 12.51 C ATOM 1047 NH1 ARG A 77 19.821 9.261 5.202 1.00 12.60 N ATOM 1048 NH2 ARG A 77 20.774 10.209 3.365 1.00 10.96 N ATOM 1049 HA ARG A 77 16.593 10.189 8.011 1.00 0.00 H ATOM 1050 HB2 ARG A 77 14.789 11.462 5.871 1.00 0.00 H ATOM 1051 HB3 ARG A 77 15.980 12.312 6.884 1.00 0.00 H ATOM 1052 HG2 ARG A 77 16.814 10.197 4.908 1.00 0.00 H ATOM 1053 HG3 ARG A 77 16.529 11.880 4.408 1.00 0.00 H ATOM 1054 HD2 ARG A 77 18.540 10.971 6.485 1.00 0.00 H ATOM 1055 HD3 ARG A 77 18.268 12.645 5.947 1.00 0.00 H ATOM 1056 HE ARG A 77 19.326 12.175 3.865 1.00 0.00 H ATOM 1057 HH12 ARG A 77 20.399 8.411 5.041 1.00 0.00 H ATOM 1058 HH11 ARG A 77 19.163 9.298 6.007 1.00 0.00 H ATOM 1059 HH22 ARG A 77 21.338 9.345 3.232 1.00 0.00 H ATOM 1060 HH21 ARG A 77 20.877 11.004 2.702 1.00 0.00 H ATOM 1061 H ARG A 77 14.789 8.568 6.360 1.00 0.00 H ATOM 1062 N VAL A 78 14.680 11.334 9.241 1.00 11.56 N ATOM 1063 CA VAL A 78 13.586 11.819 10.039 1.00 10.89 C ATOM 1064 C VAL A 78 13.436 13.266 9.569 1.00 12.77 C ATOM 1065 O VAL A 78 14.423 13.940 9.252 1.00 12.85 O ATOM 1066 CB VAL A 78 13.736 11.702 11.565 1.00 25.97 C ATOM 1067 CG1 VAL A 78 13.963 10.258 11.978 1.00 34.78 C ATOM 1068 CG2 VAL A 78 14.851 12.575 12.106 1.00 19.62 C ATOM 1069 HA VAL A 78 12.702 11.199 9.888 1.00 0.00 H ATOM 1070 HB VAL A 78 12.800 12.057 11.997 1.00 0.00 H ATOM 1071 HG11 VAL A 78 13.113 9.653 11.661 1.00 0.00 H ATOM 1072 HG12 VAL A 78 14.872 9.885 11.506 1.00 0.00 H ATOM 1073 HG13 VAL A 78 14.066 10.203 13.062 1.00 0.00 H ATOM 1074 HG21 VAL A 78 15.796 12.279 11.651 1.00 0.00 H ATOM 1075 HG22 VAL A 78 14.643 13.618 11.867 1.00 0.00 H ATOM 1076 HG23 VAL A 78 14.913 12.454 13.187 1.00 0.00 H ATOM 1077 H VAL A 78 15.654 11.598 9.492 1.00 0.00 H ATOM 1078 N VAL A 79 12.214 13.716 9.467 1.00 10.55 N ATOM 1079 CA VAL A 79 11.957 15.056 9.037 1.00 10.13 C ATOM 1080 C VAL A 79 11.268 15.814 10.155 1.00 12.17 C ATOM 1081 O VAL A 79 10.227 15.381 10.665 1.00 14.85 O ATOM 1082 CB VAL A 79 11.124 15.119 7.750 1.00 16.86 C ATOM 1083 CG1 VAL A 79 10.850 16.589 7.396 1.00 16.08 C ATOM 1084 CG2 VAL A 79 11.885 14.456 6.606 1.00 14.07 C ATOM 1085 HA VAL A 79 12.915 15.520 8.804 1.00 0.00 H ATOM 1086 HB VAL A 79 10.181 14.594 7.904 1.00 0.00 H ATOM 1087 HG11 VAL A 79 10.301 17.061 8.211 1.00 0.00 H ATOM 1088 HG12 VAL A 79 11.797 17.108 7.245 1.00 0.00 H ATOM 1089 HG13 VAL A 79 10.258 16.637 6.482 1.00 0.00 H ATOM 1090 HG21 VAL A 79 12.830 14.977 6.450 1.00 0.00 H ATOM 1091 HG22 VAL A 79 12.081 13.414 6.858 1.00 0.00 H ATOM 1092 HG23 VAL A 79 11.286 14.505 5.696 1.00 0.00 H ATOM 1093 H VAL A 79 11.416 13.091 9.702 1.00 0.00 H ATOM 1094 N PHE A 80 11.851 16.961 10.526 1.00 13.92 N ATOM 1095 CA PHE A 80 11.276 17.786 11.577 1.00 10.00 C ATOM 1096 C PHE A 80 11.176 19.268 11.149 1.00 13.61 C ATOM 1097 O PHE A 80 11.839 19.732 10.212 1.00 12.87 O ATOM 1098 CB PHE A 80 12.028 17.598 12.927 1.00 14.67 C ATOM 1099 CG PHE A 80 13.500 17.948 12.859 1.00 15.00 C ATOM 1100 CD1 PHE A 80 13.911 19.274 12.995 1.00 13.62 C ATOM 1101 CD2 PHE A 80 14.474 16.965 12.676 1.00 15.40 C ATOM 1102 CE1 PHE A 80 15.256 19.636 12.934 1.00 11.52 C ATOM 1103 CE2 PHE A 80 15.826 17.306 12.622 1.00 15.56 C ATOM 1104 CZ PHE A 80 16.212 18.641 12.749 1.00 19.24 C ATOM 1105 HA PHE A 80 10.254 17.446 11.743 1.00 0.00 H ATOM 1106 HB2 PHE A 80 11.557 18.235 13.675 1.00 0.00 H ATOM 1107 HB3 PHE A 80 11.936 16.555 13.230 1.00 0.00 H ATOM 1108 HD2 PHE A 80 14.176 15.922 12.574 1.00 0.00 H ATOM 1109 HE2 PHE A 80 16.579 16.531 12.481 1.00 0.00 H ATOM 1110 HZ PHE A 80 17.268 18.906 12.703 1.00 0.00 H ATOM 1111 HE1 PHE A 80 15.554 20.680 13.030 1.00 0.00 H ATOM 1112 HD1 PHE A 80 13.160 20.048 13.153 1.00 0.00 H ATOM 1113 H PHE A 80 12.727 17.266 10.056 1.00 0.00 H ATOM 1114 N ASN A 81 10.338 20.036 11.839 1.00 12.18 N ATOM 1115 CA ASN A 81 10.202 21.445 11.490 1.00 14.28 C ATOM 1116 C ASN A 81 10.924 22.400 12.462 1.00 20.75 C ATOM 1117 O ASN A 81 11.549 21.989 13.444 1.00 14.93 O ATOM 1118 CB ASN A 81 8.744 21.867 11.202 1.00 16.85 C ATOM 1119 CG ASN A 81 7.916 21.983 12.472 1.00 15.62 C ATOM 1120 OD1 ASN A 81 8.429 21.821 13.595 1.00 16.61 O ATOM 1121 ND2 ASN A 81 6.638 22.283 12.298 1.00 24.18 N ATOM 1122 HA ASN A 81 10.732 21.548 10.543 1.00 0.00 H ATOM 1123 HB2 ASN A 81 8.751 22.834 10.698 1.00 0.00 H ATOM 1124 HB3 ASN A 81 8.285 21.123 10.551 1.00 0.00 H ATOM 1125 HD22 ASN A 81 6.259 22.408 11.337 1.00 0.00 H ATOM 1126 HD21 ASN A 81 6.013 22.394 13.122 1.00 0.00 H ATOM 1127 H ASN A 81 9.784 19.634 12.622 1.00 0.00 H ATOM 1128 N GLU A 82 10.843 23.691 12.167 1.00 16.93 N ATOM 1129 CA GLU A 82 11.493 24.716 12.968 1.00 19.72 C ATOM 1130 C GLU A 82 11.135 24.665 14.439 1.00 20.45 C ATOM 1131 O GLU A 82 11.890 25.109 15.293 1.00 23.70 O ATOM 1132 CB GLU A 82 11.164 26.105 12.391 1.00 15.73 C ATOM 1133 CG GLU A 82 12.209 27.173 12.715 1.00 13.25 C ATOM 1134 CD GLU A 82 13.548 26.975 12.033 1.00 23.59 C ATOM 1135 OE1 GLU A 82 13.492 27.006 10.738 1.00 23.15 O ATOM 1136 OE2 GLU A 82 14.587 26.821 12.631 1.00 27.02 O ATOM 1137 HA GLU A 82 12.564 24.521 12.914 1.00 0.00 H ATOM 1138 HB2 GLU A 82 11.087 26.017 11.307 1.00 0.00 H ATOM 1139 HB3 GLU A 82 10.205 26.428 12.797 1.00 0.00 H ATOM 1140 HG2 GLU A 82 11.812 28.141 12.410 1.00 0.00 H ATOM 1141 HG3 GLU A 82 12.373 27.172 13.793 1.00 0.00 H ATOM 1142 H GLU A 82 10.294 23.981 11.332 1.00 0.00 H ATOM 1143 N ASN A 83 9.952 24.130 14.727 1.00 16.85 N ATOM 1144 CA ASN A 83 9.438 24.028 16.077 1.00 17.71 C ATOM 1145 C ASN A 83 9.686 22.671 16.710 1.00 16.65 C ATOM 1146 O ASN A 83 9.051 22.322 17.700 1.00 16.55 O ATOM 1147 CB ASN A 83 7.918 24.300 16.079 1.00 22.75 C ATOM 1148 HA ASN A 83 9.973 24.772 16.667 1.00 0.00 H ATOM 1149 HB2 ASN A 83 7.729 25.303 15.695 1.00 0.00 H ATOM 1150 HB3 ASN A 83 7.418 23.567 15.446 1.00 0.00 H ATOM 1151 H ASN A 83 9.369 23.768 13.946 1.00 0.00 H ATOM 1152 N ASN A 84 10.589 21.890 16.137 1.00 12.27 N ATOM 1153 CA ASN A 84 10.864 20.585 16.705 1.00 12.03 C ATOM 1154 C ASN A 84 9.652 19.655 16.711 1.00 20.37 C ATOM 1155 O ASN A 84 9.441 18.889 17.649 1.00 18.60 O ATOM 1156 CB ASN A 84 11.442 20.700 18.123 1.00 15.81 C ATOM 1157 CG ASN A 84 12.138 19.430 18.571 1.00 21.14 C ATOM 1158 OD1 ASN A 84 12.366 18.520 17.645 1.00 18.32 O ATOM 1159 ND2 ASN A 84 12.492 19.284 19.734 1.00 42.17 N ATOM 1160 HA ASN A 84 11.608 20.135 16.048 1.00 0.00 H ATOM 1161 HB2 ASN A 84 12.161 21.519 18.142 1.00 0.00 H ATOM 1162 HB3 ASN A 84 10.629 20.916 18.816 1.00 0.00 H ATOM 1163 HD22 ASN A 84 12.293 20.026 20.435 1.00 0.00 H ATOM 1164 HD21 ASN A 84 12.992 18.418 20.021 1.00 0.00 H ATOM 1165 H ASN A 84 11.096 22.210 15.287 1.00 0.00 H ATOM 1166 N GLN A 85 8.842 19.726 15.670 1.00 17.22 N ATOM 1167 CA GLN A 85 7.688 18.859 15.566 1.00 14.83 C ATOM 1168 C GLN A 85 8.015 17.839 14.499 1.00 17.57 C ATOM 1169 O GLN A 85 8.586 18.196 13.466 1.00 14.74 O ATOM 1170 CB GLN A 85 6.404 19.586 15.131 1.00 18.95 C ATOM 1171 CG GLN A 85 5.882 20.640 16.120 1.00 6.59 C ATOM 1172 CD GLN A 85 4.635 21.277 15.552 1.00 16.71 C ATOM 1173 OE1 GLN A 85 4.705 22.197 14.724 1.00 15.64 O ATOM 1174 NE2 GLN A 85 3.489 20.757 15.961 1.00 22.19 N ATOM 1175 HA GLN A 85 7.496 18.433 16.551 1.00 0.00 H ATOM 1176 HB2 GLN A 85 6.603 20.083 14.182 1.00 0.00 H ATOM 1177 HB3 GLN A 85 5.623 18.838 14.992 1.00 0.00 H ATOM 1178 HG2 GLN A 85 5.648 20.163 17.072 1.00 0.00 H ATOM 1179 HG3 GLN A 85 6.644 21.404 16.276 1.00 0.00 H ATOM 1180 HE22 GLN A 85 3.488 19.985 16.658 1.00 0.00 H ATOM 1181 HE21 GLN A 85 2.590 21.120 15.585 1.00 0.00 H ATOM 1182 H GLN A 85 9.036 20.414 14.915 1.00 0.00 H ATOM 1183 N LEU A 86 7.650 16.580 14.740 1.00 14.68 N ATOM 1184 CA LEU A 86 7.914 15.524 13.771 1.00 14.57 C ATOM 1185 C LEU A 86 7.012 15.666 12.565 1.00 17.47 C ATOM 1186 O LEU A 86 5.793 15.695 12.692 1.00 16.49 O ATOM 1187 CB LEU A 86 7.718 14.120 14.401 1.00 12.45 C ATOM 1188 CG LEU A 86 8.020 12.941 13.469 1.00 18.59 C ATOM 1189 CD1 LEU A 86 9.522 12.848 13.200 1.00 14.46 C ATOM 1190 CD2 LEU A 86 7.554 11.645 14.134 1.00 24.76 C ATOM 1191 HA LEU A 86 8.953 15.623 13.456 1.00 0.00 H ATOM 1192 HB2 LEU A 86 8.376 14.043 15.267 1.00 0.00 H ATOM 1193 HB3 LEU A 86 6.681 14.037 14.726 1.00 0.00 H ATOM 1194 HG LEU A 86 7.496 13.092 12.525 1.00 0.00 H ATOM 1195 HD21 LEU A 86 8.083 11.512 15.078 1.00 0.00 H ATOM 1196 HD22 LEU A 86 6.482 11.700 14.321 1.00 0.00 H ATOM 1197 HD23 LEU A 86 7.767 10.803 13.475 1.00 0.00 H ATOM 1198 HD11 LEU A 86 9.863 13.770 12.730 1.00 0.00 H ATOM 1199 HD12 LEU A 86 10.050 12.702 14.142 1.00 0.00 H ATOM 1200 HD13 LEU A 86 9.720 12.006 12.537 1.00 0.00 H ATOM 1201 H LEU A 86 7.170 16.348 15.633 1.00 0.00 H ATOM 1202 N ALA A 87 7.616 15.747 11.392 1.00 13.88 N ATOM 1203 CA ALA A 87 6.841 15.857 10.184 1.00 19.74 C ATOM 1204 C ALA A 87 6.615 14.464 9.603 1.00 22.68 C ATOM 1205 O ALA A 87 5.504 14.109 9.168 1.00 14.55 O ATOM 1206 CB ALA A 87 7.507 16.784 9.174 1.00 17.66 C ATOM 1207 HA ALA A 87 5.875 16.302 10.422 1.00 0.00 H ATOM 1208 HB1 ALA A 87 7.611 17.778 9.609 1.00 0.00 H ATOM 1209 HB2 ALA A 87 8.492 16.393 8.918 1.00 0.00 H ATOM 1210 HB3 ALA A 87 6.893 16.842 8.275 1.00 0.00 H ATOM 1211 H ALA A 87 8.655 15.731 11.342 1.00 0.00 H ATOM 1212 N GLY A 88 7.679 13.667 9.613 1.00 14.59 N ATOM 1213 CA GLY A 88 7.586 12.310 9.086 1.00 22.61 C ATOM 1214 C GLY A 88 8.920 11.569 8.998 1.00 21.80 C ATOM 1215 O GLY A 88 9.972 12.115 9.326 1.00 15.76 O ATOM 1216 HA3 GLY A 88 7.159 12.362 8.084 1.00 0.00 H ATOM 1217 HA2 GLY A 88 6.921 11.738 9.734 1.00 0.00 H ATOM 1218 H GLY A 88 8.581 14.012 9.998 1.00 0.00 H ATOM 1219 N VAL A 89 8.831 10.295 8.558 1.00 14.48 N ATOM 1220 CA VAL A 89 9.967 9.409 8.385 1.00 17.58 C ATOM 1221 C VAL A 89 9.980 8.981 6.910 1.00 11.57 C ATOM 1222 O VAL A 89 9.012 8.403 6.428 1.00 13.63 O ATOM 1223 CB VAL A 89 9.924 8.221 9.363 1.00 16.79 C ATOM 1224 CG1 VAL A 89 11.220 7.426 9.234 1.00 15.82 C ATOM 1225 CG2 VAL A 89 9.772 8.733 10.799 1.00 14.62 C ATOM 1226 HA VAL A 89 10.900 9.920 8.624 1.00 0.00 H ATOM 1227 HB VAL A 89 9.074 7.582 9.125 1.00 0.00 H ATOM 1228 HG11 VAL A 89 11.320 7.059 8.212 1.00 0.00 H ATOM 1229 HG12 VAL A 89 12.066 8.071 9.474 1.00 0.00 H ATOM 1230 HG13 VAL A 89 11.197 6.582 9.924 1.00 0.00 H ATOM 1231 HG21 VAL A 89 10.619 9.373 11.047 1.00 0.00 H ATOM 1232 HG22 VAL A 89 8.847 9.303 10.884 1.00 0.00 H ATOM 1233 HG23 VAL A 89 9.742 7.886 11.484 1.00 0.00 H ATOM 1234 H VAL A 89 7.887 9.925 8.328 1.00 0.00 H ATOM 1235 N ILE A 90 11.055 9.315 6.188 1.00 10.19 N ATOM 1236 CA ILE A 90 11.156 9.007 4.763 1.00 9.78 C ATOM 1237 C ILE A 90 12.441 8.283 4.402 1.00 10.89 C ATOM 1238 O ILE A 90 13.382 8.224 5.182 1.00 13.85 O ATOM 1239 CB ILE A 90 11.049 10.301 3.928 1.00 12.59 C ATOM 1240 CG1 ILE A 90 12.231 11.226 4.285 1.00 15.78 C ATOM 1241 CG2 ILE A 90 9.708 10.986 4.190 1.00 9.85 C ATOM 1242 CD1 ILE A 90 12.348 12.498 3.445 1.00 13.66 C ATOM 1243 HA ILE A 90 10.327 8.337 4.533 1.00 0.00 H ATOM 1244 HB ILE A 90 11.096 10.065 2.865 1.00 0.00 H ATOM 1245 HG12 ILE A 90 12.124 11.521 5.329 1.00 0.00 H ATOM 1246 HG13 ILE A 90 13.152 10.657 4.163 1.00 0.00 H ATOM 1247 HD11 ILE A 90 12.473 12.229 2.396 1.00 0.00 H ATOM 1248 HD12 ILE A 90 11.443 13.094 3.563 1.00 0.00 H ATOM 1249 HD13 ILE A 90 13.211 13.074 3.779 1.00 0.00 H ATOM 1250 HG21 ILE A 90 8.897 10.313 3.913 1.00 0.00 H ATOM 1251 HG22 ILE A 90 9.629 11.235 5.248 1.00 0.00 H ATOM 1252 HG23 ILE A 90 9.645 11.897 3.595 1.00 0.00 H ATOM 1253 H ILE A 90 11.843 9.809 6.655 1.00 0.00 H ATOM 1254 N THR A 91 12.485 7.739 3.194 1.00 9.33 N ATOM 1255 CA THR A 91 13.670 7.011 2.759 1.00 10.39 C ATOM 1256 C THR A 91 13.962 7.124 1.269 1.00 12.32 C ATOM 1257 O THR A 91 13.074 7.304 0.434 1.00 11.25 O ATOM 1258 CB THR A 91 13.583 5.498 3.155 1.00 16.87 C ATOM 1259 OG1 THR A 91 14.786 4.814 2.836 1.00 12.97 O ATOM 1260 CG2 THR A 91 12.423 4.807 2.434 1.00 9.20 C ATOM 1261 HA THR A 91 14.498 7.490 3.281 1.00 0.00 H ATOM 1262 HB THR A 91 13.419 5.461 4.232 1.00 0.00 H ATOM 1263 HG1 THR A 91 15.539 5.227 3.328 1.00 0.00 H ATOM 1264 HG23 THR A 91 11.492 5.322 2.670 1.00 0.00 H ATOM 1265 HG21 THR A 91 12.595 4.839 1.358 1.00 0.00 H ATOM 1266 HG22 THR A 91 12.359 3.770 2.762 1.00 0.00 H ATOM 1267 H THR A 91 11.670 7.832 2.554 1.00 0.00 H ATOM 1268 N HIS A 92 15.241 7.003 0.942 1.00 13.94 N ATOM 1269 CA HIS A 92 15.661 7.019 -0.437 1.00 7.77 C ATOM 1270 C HIS A 92 15.444 5.588 -0.998 1.00 13.93 C ATOM 1271 O HIS A 92 15.366 5.361 -2.199 1.00 13.42 O ATOM 1272 CB HIS A 92 17.156 7.345 -0.580 1.00 9.81 C ATOM 1273 CG HIS A 92 17.505 8.778 -0.327 1.00 13.79 C ATOM 1274 ND1 HIS A 92 16.922 9.803 -1.038 1.00 15.32 N ATOM 1275 CD2 HIS A 92 18.391 9.317 0.546 1.00 13.50 C ATOM 1276 CE1 HIS A 92 17.443 10.934 -0.584 1.00 19.58 C ATOM 1277 NE2 HIS A 92 18.334 10.677 0.365 1.00 15.87 N ATOM 1278 HA HIS A 92 15.089 7.780 -0.967 1.00 0.00 H ATOM 1279 HB2 HIS A 92 17.709 6.729 0.130 1.00 0.00 H ATOM 1280 HB3 HIS A 92 17.464 7.093 -1.595 1.00 0.00 H ATOM 1281 HD2 HIS A 92 19.023 8.778 1.252 1.00 0.00 H ATOM 1282 HE1 HIS A 92 17.178 11.930 -0.939 1.00 0.00 H ATOM 1283 H HIS A 92 15.953 6.895 1.692 1.00 0.00 H ATOM 1284 N THR A 93 15.348 4.602 -0.103 1.00 10.58 N ATOM 1285 CA THR A 93 15.163 3.212 -0.520 1.00 9.19 C ATOM 1286 C THR A 93 13.899 3.000 -1.339 1.00 14.53 C ATOM 1287 O THR A 93 12.808 3.302 -0.884 1.00 14.23 O ATOM 1288 CB THR A 93 15.201 2.253 0.694 1.00 12.19 C ATOM 1289 OG1 THR A 93 16.472 2.356 1.269 1.00 16.83 O ATOM 1290 CG2 THR A 93 14.938 0.798 0.256 1.00 14.56 C ATOM 1291 HA THR A 93 16.002 2.976 -1.175 1.00 0.00 H ATOM 1292 HB THR A 93 14.425 2.525 1.409 1.00 0.00 H ATOM 1293 HG1 THR A 93 17.157 2.099 0.602 1.00 0.00 H ATOM 1294 HG23 THR A 93 13.946 0.728 -0.190 1.00 0.00 H ATOM 1295 HG21 THR A 93 15.689 0.499 -0.475 1.00 0.00 H ATOM 1296 HG22 THR A 93 14.994 0.143 1.125 1.00 0.00 H ATOM 1297 H THR A 93 15.406 4.827 0.911 1.00 0.00 H ATOM 1298 N GLY A 94 14.035 2.462 -2.554 1.00 11.52 N ATOM 1299 CA GLY A 94 12.853 2.230 -3.390 1.00 11.71 C ATOM 1300 C GLY A 94 12.380 3.448 -4.203 1.00 11.52 C ATOM 1301 O GLY A 94 11.337 3.407 -4.851 1.00 13.80 O ATOM 1302 HA3 GLY A 94 12.035 1.919 -2.740 1.00 0.00 H ATOM 1303 HA2 GLY A 94 13.086 1.427 -4.089 1.00 0.00 H ATOM 1304 H GLY A 94 14.980 2.208 -2.907 1.00 0.00 H ATOM 1305 N ALA A 95 13.156 4.533 -4.172 1.00 14.89 N ATOM 1306 CA ALA A 95 12.873 5.752 -4.923 1.00 12.37 C ATOM 1307 C ALA A 95 14.006 5.970 -5.901 1.00 16.68 C ATOM 1308 O ALA A 95 15.138 5.583 -5.631 1.00 13.21 O ATOM 1309 CB ALA A 95 12.721 6.985 -4.028 1.00 12.06 C ATOM 1310 HA ALA A 95 11.919 5.623 -5.435 1.00 0.00 H ATOM 1311 HB1 ALA A 95 11.899 6.827 -3.330 1.00 0.00 H ATOM 1312 HB2 ALA A 95 13.645 7.145 -3.472 1.00 0.00 H ATOM 1313 HB3 ALA A 95 12.512 7.858 -4.647 1.00 0.00 H ATOM 1314 H ALA A 95 14.010 4.509 -3.579 1.00 0.00 H ATOM 1315 N SER A 96 13.730 6.575 -7.040 1.00 13.72 N ATOM 1316 CA SER A 96 14.825 6.779 -7.952 1.00 15.54 C ATOM 1317 C SER A 96 15.716 7.936 -7.531 1.00 18.07 C ATOM 1318 O SER A 96 15.250 8.943 -6.982 1.00 17.08 O ATOM 1319 CB SER A 96 14.367 6.936 -9.390 1.00 37.65 C ATOM 1320 OG SER A 96 13.781 8.202 -9.566 1.00 48.87 O ATOM 1321 HA SER A 96 15.424 5.870 -7.905 1.00 0.00 H ATOM 1322 HB2 SER A 96 13.636 6.162 -9.624 1.00 0.00 H ATOM 1323 HB3 SER A 96 15.224 6.837 -10.056 1.00 0.00 H ATOM 1324 HG SER A 96 14.446 8.904 -9.354 1.00 0.00 H ATOM 1325 H SER A 96 12.766 6.890 -7.269 1.00 0.00 H ATOM 1326 N GLY A 97 17.006 7.769 -7.809 1.00 18.82 N ATOM 1327 CA GLY A 97 18.008 8.776 -7.503 1.00 27.34 C ATOM 1328 C GLY A 97 18.011 9.253 -6.059 1.00 34.81 C ATOM 1329 O GLY A 97 18.095 8.454 -5.124 1.00 28.63 O ATOM 1330 HA3 GLY A 97 17.830 9.639 -8.145 1.00 0.00 H ATOM 1331 HA2 GLY A 97 18.989 8.357 -7.724 1.00 0.00 H ATOM 1332 H GLY A 97 17.309 6.884 -8.263 1.00 0.00 H ATOM 1333 N ASN A 98 17.935 10.570 -5.898 1.00 18.47 N ATOM 1334 CA ASN A 98 17.942 11.175 -4.588 1.00 22.67 C ATOM 1335 C ASN A 98 16.550 11.512 -4.116 1.00 18.35 C ATOM 1336 O ASN A 98 16.383 12.271 -3.153 1.00 16.44 O ATOM 1337 HA ASN A 98 18.395 10.480 -3.881 1.00 0.00 H ATOM 1338 H ASN A 98 17.869 11.180 -6.738 1.00 0.00 H ATOM 1339 N ASN A 99 15.547 10.955 -4.795 1.00 12.17 N ATOM 1340 CA ASN A 99 14.186 11.206 -4.385 1.00 10.58 C ATOM 1341 C ASN A 99 13.873 10.373 -3.155 1.00 13.87 C ATOM 1342 O ASN A 99 14.747 9.653 -2.673 1.00 15.95 O ATOM 1343 CB ASN A 99 13.191 10.929 -5.502 1.00 17.31 C ATOM 1344 CG ASN A 99 13.431 11.905 -6.627 1.00 49.11 C ATOM 1345 OD1 ASN A 99 13.890 11.407 -7.768 1.00 27.59 O ATOM 1346 ND2 ASN A 99 13.245 13.106 -6.448 1.00 27.16 N ATOM 1347 HA ASN A 99 14.089 12.264 -4.142 1.00 0.00 H ATOM 1348 HB2 ASN A 99 13.325 9.911 -5.867 1.00 0.00 H ATOM 1349 HB3 ASN A 99 12.175 11.048 -5.125 1.00 0.00 H ATOM 1350 HD22 ASN A 99 12.883 13.446 -5.534 1.00 0.00 H ATOM 1351 HD21 ASN A 99 13.449 13.783 -7.210 1.00 0.00 H ATOM 1352 H ASN A 99 15.744 10.344 -5.614 1.00 0.00 H ATOM 1353 N PHE A 100 12.634 10.494 -2.657 1.00 16.47 N ATOM 1354 CA PHE A 100 12.192 9.761 -1.481 1.00 15.97 C ATOM 1355 C PHE A 100 10.804 9.150 -1.634 1.00 14.91 C ATOM 1356 O PHE A 100 10.026 9.468 -2.528 1.00 13.82 O ATOM 1357 CB PHE A 100 12.022 10.739 -0.282 1.00 18.11 C ATOM 1358 CG PHE A 100 13.289 11.321 0.271 1.00 17.15 C ATOM 1359 CD1 PHE A 100 14.011 10.671 1.276 1.00 15.11 C ATOM 1360 CD2 PHE A 100 13.765 12.535 -0.219 1.00 19.69 C ATOM 1361 CE1 PHE A 100 15.189 11.210 1.797 1.00 15.13 C ATOM 1362 CE2 PHE A 100 14.943 13.084 0.287 1.00 13.54 C ATOM 1363 CZ PHE A 100 15.648 12.429 1.298 1.00 16.28 C ATOM 1364 HA PHE A 100 12.948 8.989 -1.335 1.00 0.00 H ATOM 1365 HB2 PHE A 100 11.390 11.564 -0.610 1.00 0.00 H ATOM 1366 HB3 PHE A 100 11.523 10.199 0.522 1.00 0.00 H ATOM 1367 HD2 PHE A 100 13.215 13.058 -1.001 1.00 0.00 H ATOM 1368 HE2 PHE A 100 15.315 14.029 -0.109 1.00 0.00 H ATOM 1369 HZ PHE A 100 16.560 12.871 1.699 1.00 0.00 H ATOM 1370 HE1 PHE A 100 15.740 10.688 2.579 1.00 0.00 H ATOM 1371 HD1 PHE A 100 13.645 9.720 1.663 1.00 0.00 H ATOM 1372 H PHE A 100 11.965 11.135 -3.129 1.00 0.00 H ATOM 1373 N VAL A 101 10.514 8.285 -0.662 1.00 12.85 N ATOM 1374 CA VAL A 101 9.244 7.643 -0.466 1.00 12.31 C ATOM 1375 C VAL A 101 9.035 7.675 1.031 1.00 18.65 C ATOM 1376 O VAL A 101 9.995 7.765 1.792 1.00 11.65 O ATOM 1377 CB VAL A 101 9.039 6.222 -1.010 1.00 19.47 C ATOM 1378 CG1 VAL A 101 9.272 6.171 -2.520 1.00 22.24 C ATOM 1379 CG2 VAL A 101 9.929 5.240 -0.266 1.00 12.83 C ATOM 1380 HA VAL A 101 8.513 8.189 -1.062 1.00 0.00 H ATOM 1381 HB VAL A 101 8.003 5.929 -0.839 1.00 0.00 H ATOM 1382 HG11 VAL A 101 8.570 6.840 -3.018 1.00 0.00 H ATOM 1383 HG12 VAL A 101 10.292 6.485 -2.740 1.00 0.00 H ATOM 1384 HG13 VAL A 101 9.119 5.152 -2.876 1.00 0.00 H ATOM 1385 HG21 VAL A 101 10.973 5.526 -0.398 1.00 0.00 H ATOM 1386 HG22 VAL A 101 9.678 5.256 0.795 1.00 0.00 H ATOM 1387 HG23 VAL A 101 9.772 4.237 -0.663 1.00 0.00 H ATOM 1388 H VAL A 101 11.272 8.055 0.012 1.00 0.00 H ATOM 1389 N GLU A 102 7.798 7.616 1.460 1.00 15.25 N ATOM 1390 CA GLU A 102 7.565 7.648 2.879 1.00 14.12 C ATOM 1391 C GLU A 102 7.724 6.279 3.474 1.00 18.91 C ATOM 1392 O GLU A 102 7.433 5.276 2.830 1.00 16.84 O ATOM 1393 CB GLU A 102 6.149 8.153 3.224 1.00 18.00 C ATOM 1394 CG GLU A 102 5.882 9.574 2.702 1.00 44.54 C ATOM 1395 CD GLU A 102 4.533 10.103 3.098 1.00 52.92 C ATOM 1396 OE1 GLU A 102 4.295 10.585 4.188 1.00 42.60 O ATOM 1397 OE2 GLU A 102 3.646 9.971 2.144 1.00 37.59 O ATOM 1398 HA GLU A 102 8.302 8.336 3.294 1.00 0.00 H ATOM 1399 HB2 GLU A 102 5.419 7.476 2.781 1.00 0.00 H ATOM 1400 HB3 GLU A 102 6.032 8.152 4.308 1.00 0.00 H ATOM 1401 HG2 GLU A 102 6.647 10.240 3.101 1.00 0.00 H ATOM 1402 HG3 GLU A 102 5.944 9.562 1.614 1.00 0.00 H ATOM 1403 H GLU A 102 7.005 7.548 0.791 1.00 0.00 H ATOM 1404 N CYS A 103 8.182 6.251 4.711 1.00 16.51 N ATOM 1405 CA CYS A 103 8.312 4.988 5.395 1.00 14.59 C ATOM 1406 C CYS A 103 6.911 4.611 5.797 1.00 20.47 C ATOM 1407 O CYS A 103 6.086 5.496 6.011 1.00 27.86 O ATOM 1408 CB CYS A 103 9.243 5.117 6.589 1.00 13.50 C ATOM 1409 SG CYS A 103 10.904 5.405 5.970 1.00 14.14 S ATOM 1410 HA CYS A 103 8.756 4.216 4.766 1.00 0.00 H ATOM 1411 HB2 CYS A 103 9.221 4.199 7.176 1.00 0.00 H ATOM 1412 HB3 CYS A 103 8.930 5.954 7.213 1.00 0.00 H ATOM 1413 H CYS A 103 8.448 7.135 5.190 1.00 0.00 H ATOM 1414 N THR A 104 6.630 3.322 5.882 1.00 21.98 N ATOM 1415 CA THR A 104 5.293 2.889 6.219 1.00 22.52 C ATOM 1416 C THR A 104 5.126 2.368 7.632 1.00 24.47 C ATOM 1417 O THR A 104 3.949 2.169 8.005 1.00 30.17 O ATOM 1418 CB THR A 104 4.803 1.836 5.211 1.00 27.49 C ATOM 1419 OG1 THR A 104 5.698 0.742 5.210 1.00 32.69 O ATOM 1420 CG2 THR A 104 4.732 2.453 3.821 1.00 31.47 C ATOM 1421 HA THR A 104 4.680 3.789 6.165 1.00 0.00 H ATOM 1422 OXT THR A 104 6.140 2.184 8.331 1.00 23.27 O ATOM 1423 HB THR A 104 3.809 1.489 5.494 1.00 0.00 H ATOM 1424 HG1 THR A 104 6.601 1.056 4.951 1.00 0.00 H ATOM 1425 HG23 THR A 104 4.040 3.295 3.833 1.00 0.00 H ATOM 1426 HG21 THR A 104 5.723 2.800 3.528 1.00 0.00 H ATOM 1427 HG22 THR A 104 4.383 1.704 3.110 1.00 0.00 H ATOM 1428 H THR A 104 7.374 2.617 5.706 1.00 0.00 H TER 1429 THR A 104 HETATM 1430 CA CA A 1 15.808 0.261 17.260 1.00 16.74 CA HETATM 1431 O HOH 2 19.820 5.622 7.301 1.00 9.53 O HETATM 1432 O HOH 3 19.659 7.007 14.540 1.00 14.06 O HETATM 1433 O HOH 4 17.547 6.348 16.400 1.00 12.99 O HETATM 1434 O HOH 5 14.580 -1.102 15.659 1.00 14.24 O HETATM 1435 O HOH 6 20.395 2.913 8.026 1.00 15.73 O HETATM 1436 O HOH 7 20.498 9.707 14.063 1.00 11.99 O HETATM 1437 O HOH 8 11.509 23.426 4.084 1.00 19.33 O HETATM 1438 O HOH 9 17.061 1.254 15.277 1.00 13.45 O HETATM 1439 O HOH 10 14.079 0.282 18.914 1.00 18.30 O HETATM 1440 O HOH 11 15.894 -2.016 18.305 1.00 17.41 O HETATM 1441 O HOH 12 22.764 22.653 7.096 1.00 27.40 O HETATM 1442 O HOH 13 17.422 3.939 14.766 1.00 15.39 O HETATM 1443 O HOH 14 23.052 1.773 10.481 1.00 16.71 O HETATM 1444 O HOH 15 16.548 -1.009 11.927 1.00 38.47 O HETATM 1445 O HOH 16 14.543 18.381 -0.361 1.00 31.09 O HETATM 1446 O HOH 17 16.543 18.439 21.297 1.00 33.83 O HETATM 1447 O HOH 18 8.504 15.681 -0.807 1.00 23.90 O HETATM 1448 O HOH 19 10.789 1.777 0.384 1.00 20.12 O HETATM 1449 O HOH 20 29.087 19.414 8.150 1.00 18.02 O HETATM 1450 O HOH 21 22.320 23.311 11.681 1.00 17.86 O HETATM 1451 O HOH 22 6.551 -4.961 11.619 1.00 22.37 O HETATM 1452 O HOH 23 19.967 22.903 10.583 1.00 20.92 O HETATM 1453 O HOH 24 30.639 11.915 5.646 1.00 24.81 O HETATM 1454 O HOH 25 5.885 -0.235 9.993 1.00 23.56 O HETATM 1455 O HOH 26 27.661 8.079 11.826 1.00 24.39 O HETATM 1456 O HOH 27 3.900 11.887 -3.868 1.00 29.53 O HETATM 1457 O HOH 28 6.053 18.119 -7.613 1.00 11.34 O HETATM 1458 O HOH 29 9.203 2.967 21.163 1.00 23.80 O HETATM 1459 O HOH 30 27.093 12.960 5.150 1.00 19.58 O HETATM 1460 O HOH 31 8.251 -0.728 17.214 1.00 20.15 O HETATM 1461 O HOH 32 15.093 2.838 20.796 1.00 23.53 O HETATM 1462 O HOH 33 20.571 26.191 12.303 1.00 20.02 O HETATM 1463 O HOH 34 17.754 4.593 18.602 1.00 21.76 O HETATM 1464 O HOH 35 11.909 14.212 -1.980 1.00 36.20 O HETATM 1465 O HOH 36 16.039 1.919 4.035 1.00 20.93 O HETATM 1466 O HOH 37 3.144 15.238 9.636 1.00 29.78 O HETATM 1467 O HOH 38 16.249 -1.117 3.394 1.00 32.83 O HETATM 1468 O HOH 39 18.896 4.739 -2.082 1.00 27.10 O HETATM 1469 O HOH 40 17.406 0.560 19.003 1.00 24.51 O HETATM 1470 O HOH 41 15.814 -3.063 11.150 1.00 26.30 O HETATM 1471 O HOH 42 20.156 23.599 4.837 1.00 29.36 O HETATM 1472 O HOH 43 18.108 -3.815 8.755 1.00 27.79 O HETATM 1473 O HOH 44 25.843 10.713 1.131 1.00 34.66 O HETATM 1474 O HOH 45 18.799 2.209 -0.603 1.00 34.49 O HETATM 1475 O HOH 46 16.958 20.889 22.399 1.00 32.89 O HETATM 1476 O HOH 47 10.192 24.138 1.856 1.00 41.30 O HETATM 1477 O HOH 48 6.215 9.167 8.126 1.00 34.14 O HETATM 1478 O HOH 49 16.562 28.732 11.366 1.00 36.12 O HETATM 1479 O HOH 50 15.726 14.974 -2.408 1.00 33.44 O HETATM 1480 O HOH 51 9.230 2.276 2.462 1.00 35.13 O HETATM 1481 O HOH 52 27.610 25.666 17.634 1.00 32.27 O HETATM 1482 O HOH 53 19.807 2.759 4.869 1.00 29.29 O HETATM 1483 O HOH 54 21.759 3.589 0.290 1.00 34.54 O HETATM 1484 O HOH 55 9.021 -1.661 2.851 1.00 35.93 O HETATM 1485 O HOH 56 26.132 11.638 -1.729 1.00 28.50 O HETATM 1486 O HOH 57 21.410 5.316 20.589 1.00 40.81 O HETATM 1487 O HOH 58 -0.258 16.834 -2.021 1.00 42.30 O HETATM 1488 O HOH 59 23.067 22.731 4.532 1.00 41.13 O HETATM 1489 O HOH 60 7.281 -3.957 9.146 1.00 41.50 O HETATM 1490 O HOH 61 4.007 15.445 14.671 1.00 42.06 O HETATM 1491 O HOH 62 16.499 5.120 21.404 1.00 50.58 O HETATM 1492 O HOH 63 18.022 13.573 -5.984 1.00 46.88 O HETATM 1493 O HOH 64 8.710 7.983 21.885 1.00 44.37 O HETATM 1494 O HOH 65 12.060 14.173 20.241 1.00 40.41 O HETATM 1495 O HOH 66 29.879 15.911 0.265 1.00 31.22 O HETATM 1496 O HOH 67 6.804 1.865 20.165 1.00 38.19 O HETATM 1497 O HOH 68 19.181 12.128 21.190 1.00 48.71 O HETATM 1498 O HOH 69 10.617 7.908 -7.032 1.00 49.48 O HETATM 1499 O HOH 70 10.430 15.936 -1.986 1.00 51.61 O HETATM 1500 O HOH 71 24.628 6.643 19.615 1.00 46.73 O HETATM 1501 O HOH 72 5.830 4.212 0.585 1.00 44.66 O HETATM 1502 O HOH 73 26.756 5.015 9.582 1.00 46.58 O HETATM 1503 O HOH 74 8.549 26.869 16.891 1.00 52.37 O HETATM 1504 O HOH 75 23.627 25.430 9.998 1.00 39.43 O HETATM 1505 O HOH 76 31.148 19.652 2.416 1.00 42.46 O HETATM 1506 O HOH 77 8.056 0.653 3.589 1.00 47.46 O HETATM 1507 O HOH 78 27.075 7.060 14.546 1.00 41.37 O HETATM 1508 O HOH 79 19.774 -1.232 18.720 1.00 49.04 O HETATM 1509 O HOH 80 7.712 25.358 11.388 1.00 52.62 O HETATM 1510 O HOH 81 18.542 22.889 23.554 1.00 52.64 O HETATM 1511 O HOH 82 4.644 20.652 2.671 1.00 43.13 O HETATM 1512 O HOH 83 6.538 8.497 16.513 1.00 42.99 O HETATM 1513 O HOH 84 20.472 23.591 22.416 1.00 44.35 O HETATM 1514 O HOH 85 15.896 24.135 23.281 1.00 54.05 O HETATM 1515 O HOH 86 17.744 -1.348 16.622 1.00 46.04 O HETATM 1516 O HOH 87 23.149 15.748 1.507 1.00 54.70 O HETATM 1517 H1 UNN A 88 24.981 12.562 -1.206 1.00 0.21 H HETATM 1518 O5' UNN A 88 24.970 13.485 -0.981 1.00 -0.39 O HETATM 1519 C5' UNN A 88 24.522 14.245 -2.109 1.00 0.07 C HETATM 1520 H2 UNN A 88 25.206 14.082 -2.955 1.00 0.06 H HETATM 1521 H3 UNN A 88 24.510 15.313 -1.848 1.00 0.06 H HETATM 1522 C4' UNN A 88 23.127 13.808 -2.500 1.00 0.11 C HETATM 1523 H4 UNN A 88 22.986 14.031 -3.568 1.00 0.06 H HETATM 1524 O4' UNN A 88 22.976 12.373 -2.265 1.00 -0.34 O HETATM 1525 C1' UNN A 88 21.740 12.156 -1.628 1.00 0.21 C HETATM 1526 H8 UNN A 88 20.913 12.149 -2.353 1.00 0.10 H HETATM 1527 C2' UNN A 88 21.599 13.369 -0.705 1.00 0.17 C HETATM 1528 H7 UNN A 88 22.264 13.318 0.170 1.00 0.07 H HETATM 1529 C3' UNN A 88 22.003 14.466 -1.704 1.00 0.12 C HETATM 1530 H5 UNN A 88 22.332 15.384 -1.195 1.00 0.07 H HETATM 1531 O3' UNN A 88 20.933 14.736 -2.591 1.00 -0.39 O HETATM 1532 H6 UNN A 88 20.222 15.147 -2.112 1.00 0.21 H HETATM 1533 O2' UNN A 88 20.257 13.551 -0.296 1.00 -0.26 O HETATM 1534 PA UNN A 88 19.792 13.752 1.225 1.00 0.20 P HETATM 1535 O1A UNN A 88 20.827 14.594 1.896 1.00 -0.55 O HETATM 1536 O2A UNN A 88 19.717 12.362 1.799 1.00 -0.55 O HETATM 1537 O3A UNN A 88 18.458 14.439 1.107 1.00 -0.55 O HETATM 1538 N9 UNN A 88 21.802 10.852 -0.978 1.00 -0.19 N HETATM 1539 C8 UNN A 88 22.521 10.658 0.169 1.00 0.11 C HETATM 1540 H9 UNN A 88 23.064 11.455 0.674 1.00 0.13 H HETATM 1541 N7 UNN A 88 22.493 9.404 0.608 1.00 -0.30 N HETATM 1542 C5 UNN A 88 21.693 8.742 -0.322 1.00 0.10 C HETATM 1543 C6 UNN A 88 21.266 7.398 -0.412 1.00 0.13 C HETATM 1544 N6 UNN A 88 21.600 6.478 0.507 1.00 -0.32 N HETATM 1545 H10 UNN A 88 21.270 5.507 0.408 1.00 0.18 H HETATM 1546 H11 UNN A 88 22.186 6.743 1.311 1.00 0.18 H HETATM 1547 N1 UNN A 88 20.486 7.054 -1.461 1.00 -0.27 N HETATM 1548 C2 UNN A 88 20.147 7.999 -2.350 1.00 0.05 C HETATM 1549 H12 UNN A 88 19.518 7.667 -3.168 1.00 0.10 H HETATM 1550 N3 UNN A 88 20.479 9.298 -2.367 1.00 -0.27 N HETATM 1551 C4 UNN A 88 21.269 9.609 -1.320 1.00 0.16 C CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 18 17 117 CONECT 75 74 1409 CONECT 117 18 116 CONECT 182 181 1430 CONECT 183 181 1430 CONECT 1409 75 1408 CONECT 1430 182 183 CONECT 1517 1518 CONECT 1518 1517 1519 CONECT 1519 1518 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 1523 1524 1529 CONECT 1523 1522 CONECT 1524 1522 1525 CONECT 1525 1524 1526 1527 1538 CONECT 1526 1525 CONECT 1527 1525 1528 1529 1533 CONECT 1528 1527 CONECT 1529 1522 1527 1530 1531 CONECT 1530 1529 CONECT 1531 1529 1532 CONECT 1532 1531 CONECT 1533 1527 1534 CONECT 1534 1533 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1525 1539 1551 CONECT 1539 1538 1540 1541 CONECT 1540 1539 CONECT 1541 1539 1542 CONECT 1542 1541 1543 1551 CONECT 1543 1542 1544 1547 CONECT 1544 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1543 1548 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 1551 CONECT 1551 1538 1542 1550 MASTER 0 0 0 0 0 0 0 0 1550 1 46 8 END
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Structure:
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Protein
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Related entries of code: 1rgk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b2m
RCSB PDB
PDBbind
104aa, >1B2M_2|Chains... *
1det
RCSB PDB
PDBbind
104aa, >1DET_1|Chain... at 100%
1rgl
RCSB PDB
PDBbind
104aa, >1RGL_1|Chain... at 98%
1rnt
RCSB PDB
PDBbind
104aa, >1RNT_1|Chain... at 99%
4odk
RCSB PDB
PDBbind
16aa, >4ODK_2|Chains... at 93%
6rnt
RCSB PDB
PDBbind
104aa, >6RNT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5ldm
RCSB PDB
PDBbind
2AM
6rnt
RCSB PDB
PDBbind
2AM
Entry Information
PDB ID
1rgk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease T1 E46Q
Ligand Name
2AM
EC.Number
E.C.3.1.27.3
Resolution
1.87(Å)
Affinity (Kd/Ki/IC50)
Kd=49.1uM
Release Year
1993
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v225 pp. 533-42, 1992
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.16 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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):
P00651
Entrez Gene ID
NCBI Entrez Gene ID:
5997907
ASD
Information of known allosteric effects of PDB entries
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