Browse entries in the PDBbind-CN Database
HEADER 1B2M_COMPLEX COMPND 1B2M_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 GLN 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 GLU 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 G A 154 36 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 8.084 -2.421 5.238 1.00 55.18 N ATOM 2 CA ALA A 1 9.527 -2.248 5.573 1.00 53.71 C ATOM 3 C ALA A 1 10.188 -1.027 4.901 1.00 50.97 C ATOM 4 O ALA A 1 11.255 -1.141 4.294 1.00 53.43 O ATOM 5 CB ALA A 1 10.296 -3.537 5.240 1.00 57.24 C ATOM 6 HA ALA A 1 9.574 -2.049 6.644 1.00 0.00 H ATOM 7 HB1 ALA A 1 9.887 -4.363 5.821 1.00 0.00 H ATOM 8 HB2 ALA A 1 10.195 -3.754 4.177 1.00 0.00 H ATOM 9 HB3 ALA A 1 11.349 -3.404 5.487 1.00 0.00 H ATOM 10 HN3 ALA A 1 7.980 -2.543 4.210 1.00 0.00 H ATOM 11 HN2 ALA A 1 7.555 -1.579 5.544 1.00 0.00 H ATOM 12 HN1 ALA A 1 7.714 -3.261 5.727 1.00 0.00 H ATOM 13 N CYS A 2 9.517 0.119 4.932 1.00 44.71 N ATOM 14 CA CYS A 2 10.101 1.331 4.359 1.00 33.58 C ATOM 15 C CYS A 2 10.873 1.936 5.508 1.00 27.95 C ATOM 16 O CYS A 2 10.487 1.754 6.662 1.00 22.52 O ATOM 17 CB CYS A 2 9.004 2.322 3.948 1.00 30.88 C ATOM 18 SG CYS A 2 8.002 1.819 2.522 1.00 31.09 S ATOM 19 HA CYS A 2 10.703 1.114 3.477 1.00 0.00 H ATOM 20 HB2 CYS A 2 9.481 3.272 3.707 1.00 0.00 H ATOM 21 HB3 CYS A 2 8.336 2.458 4.799 1.00 0.00 H ATOM 22 H CYS A 2 8.572 0.154 5.366 1.00 0.00 H ATOM 23 N ASP A 3 11.994 2.586 5.238 1.00 25.88 N ATOM 24 CA ASP A 3 12.673 3.246 6.349 1.00 24.92 C ATOM 25 C ASP A 3 11.801 4.456 6.757 1.00 24.00 C ATOM 26 O ASP A 3 11.712 4.808 7.935 1.00 23.00 O ATOM 27 CB ASP A 3 14.092 3.636 5.960 1.00 27.05 C ATOM 28 CG ASP A 3 15.031 2.450 5.989 1.00 26.96 C ATOM 29 OD1 ASP A 3 14.899 1.620 6.916 1.00 26.40 O ATOM 30 OD2 ASP A 3 15.893 2.335 5.101 1.00 23.41 O ATOM 31 HA ASP A 3 12.783 2.579 7.204 1.00 0.00 H ATOM 32 HB2 ASP A 3 14.080 4.052 4.952 1.00 0.00 H ATOM 33 HB3 ASP A 3 14.455 4.390 6.659 1.00 0.00 H ATOM 34 H ASP A 3 12.376 2.625 4.272 1.00 0.00 H ATOM 35 N TYR A 4 11.118 5.033 5.766 1.00 18.12 N ATOM 36 CA TYR A 4 10.207 6.147 5.961 1.00 15.45 C ATOM 37 C TYR A 4 9.111 5.976 4.924 1.00 11.97 C ATOM 38 O TYR A 4 9.395 5.746 3.744 1.00 10.57 O ATOM 39 CB TYR A 4 10.906 7.483 5.731 1.00 19.83 C ATOM 40 CG TYR A 4 12.056 7.773 6.666 1.00 18.33 C ATOM 41 CD1 TYR A 4 11.840 8.390 7.897 1.00 17.89 C ATOM 42 CD2 TYR A 4 13.365 7.469 6.298 1.00 22.99 C ATOM 43 CE1 TYR A 4 12.903 8.706 8.742 1.00 16.51 C ATOM 44 CE2 TYR A 4 14.438 7.778 7.135 1.00 23.06 C ATOM 45 CZ TYR A 4 14.196 8.402 8.351 1.00 21.45 C ATOM 46 OH TYR A 4 15.253 8.756 9.153 1.00 21.33 O ATOM 47 HA TYR A 4 9.824 6.151 6.981 1.00 0.00 H ATOM 48 HB3 TYR A 4 10.167 8.276 5.848 1.00 0.00 H ATOM 49 HB2 TYR A 4 11.289 7.493 4.711 1.00 0.00 H ATOM 50 HD2 TYR A 4 13.554 6.982 5.341 1.00 0.00 H ATOM 51 HE2 TYR A 4 15.457 7.532 6.837 1.00 0.00 H ATOM 52 HE1 TYR A 4 12.718 9.188 9.702 1.00 0.00 H ATOM 53 HD1 TYR A 4 10.822 8.630 8.204 1.00 0.00 H ATOM 54 HH TYR A 4 14.911 9.187 9.976 1.00 0.00 H ATOM 55 H TYR A 4 11.245 4.665 4.802 1.00 0.00 H ATOM 56 N THR A 5 7.865 6.085 5.365 1.00 9.01 N ATOM 57 CA THR A 5 6.701 5.949 4.494 1.00 11.84 C ATOM 58 C THR A 5 5.947 7.280 4.437 1.00 9.03 C ATOM 59 O THR A 5 5.424 7.745 5.441 1.00 11.18 O ATOM 60 CB THR A 5 5.737 4.847 5.019 1.00 10.75 C ATOM 61 OG1 THR A 5 6.475 3.638 5.239 1.00 11.78 O ATOM 62 CG2 THR A 5 4.644 4.577 4.018 1.00 5.13 C ATOM 63 HA THR A 5 7.050 5.667 3.501 1.00 0.00 H ATOM 64 HB THR A 5 5.288 5.192 5.950 1.00 0.00 H ATOM 65 HG1 THR A 5 7.186 3.804 5.908 1.00 0.00 H ATOM 66 HG23 THR A 5 4.078 5.492 3.845 1.00 0.00 H ATOM 67 HG21 THR A 5 5.087 4.239 3.081 1.00 0.00 H ATOM 68 HG22 THR A 5 3.980 3.805 4.407 1.00 0.00 H ATOM 69 H THR A 5 7.710 6.276 6.376 1.00 0.00 H ATOM 70 N CYS A 6 5.907 7.895 3.263 1.00 11.35 N ATOM 71 CA CYS A 6 5.199 9.165 3.075 1.00 13.02 C ATOM 72 C CYS A 6 4.054 8.876 2.124 1.00 9.81 C ATOM 73 O CYS A 6 4.232 8.880 0.906 1.00 12.66 O ATOM 74 CB CYS A 6 6.136 10.211 2.455 1.00 11.90 C ATOM 75 SG CYS A 6 7.694 10.493 3.354 1.00 14.46 S ATOM 76 HA CYS A 6 4.843 9.561 4.026 1.00 0.00 H ATOM 77 HB2 CYS A 6 5.599 11.158 2.407 1.00 0.00 H ATOM 78 HB3 CYS A 6 6.384 9.884 1.445 1.00 0.00 H ATOM 79 H CYS A 6 6.393 7.463 2.451 1.00 0.00 H ATOM 80 N GLY A 7 2.887 8.591 2.675 1.00 10.62 N ATOM 81 CA GLY A 7 1.740 8.243 1.847 1.00 13.05 C ATOM 82 C GLY A 7 2.010 6.887 1.215 1.00 10.47 C ATOM 83 O GLY A 7 2.178 5.898 1.917 1.00 12.74 O ATOM 84 HA3 GLY A 7 1.604 8.994 1.068 1.00 0.00 H ATOM 85 HA2 GLY A 7 0.841 8.192 2.462 1.00 0.00 H ATOM 86 H GLY A 7 2.787 8.615 3.710 1.00 0.00 H ATOM 87 N SER A 8 2.068 6.834 -0.103 1.00 7.78 N ATOM 88 CA SER A 8 2.378 5.591 -0.768 1.00 14.01 C ATOM 89 C SER A 8 3.843 5.572 -1.181 1.00 16.03 C ATOM 90 O SER A 8 4.286 4.657 -1.880 1.00 14.85 O ATOM 91 CB SER A 8 1.488 5.374 -1.984 1.00 14.77 C ATOM 92 OG SER A 8 1.371 6.538 -2.755 1.00 21.67 O ATOM 93 HA SER A 8 2.190 4.778 -0.067 1.00 0.00 H ATOM 94 HB2 SER A 8 0.496 5.072 -1.647 1.00 0.00 H ATOM 95 HB3 SER A 8 1.917 4.584 -2.600 1.00 0.00 H ATOM 96 HG SER A 8 0.976 7.259 -2.204 1.00 0.00 H ATOM 97 H SER A 8 1.890 7.691 -0.664 1.00 0.00 H ATOM 98 N ASN A 9 4.599 6.581 -0.751 1.00 14.53 N ATOM 99 CA ASN A 9 6.006 6.647 -1.108 1.00 13.76 C ATOM 100 C ASN A 9 6.853 5.979 -0.059 1.00 14.54 C ATOM 101 O ASN A 9 6.669 6.193 1.130 1.00 13.34 O ATOM 102 CB ASN A 9 6.471 8.081 -1.327 1.00 15.89 C ATOM 103 CG ASN A 9 5.860 8.708 -2.558 1.00 21.44 C ATOM 104 OD1 ASN A 9 5.123 8.056 -3.301 1.00 20.78 O ATOM 105 ND2 ASN A 9 6.147 9.988 -2.774 1.00 19.03 N ATOM 106 HA ASN A 9 6.124 6.114 -2.051 1.00 0.00 H ATOM 107 HB2 ASN A 9 6.192 8.675 -0.457 1.00 0.00 H ATOM 108 HB3 ASN A 9 7.556 8.084 -1.435 1.00 0.00 H ATOM 109 HD22 ASN A 9 6.774 10.498 -2.120 1.00 0.00 H ATOM 110 HD21 ASN A 9 5.744 10.479 -3.597 1.00 0.00 H ATOM 111 H ASN A 9 4.180 7.325 -0.157 1.00 0.00 H ATOM 112 N CYS A 10 7.840 5.236 -0.529 1.00 15.26 N ATOM 113 CA CYS A 10 8.724 4.485 0.326 1.00 18.14 C ATOM 114 C CYS A 10 10.169 4.956 0.222 1.00 16.63 C ATOM 115 O CYS A 10 10.778 4.822 -0.831 1.00 21.08 O ATOM 116 CB CYS A 10 8.641 3.037 -0.113 1.00 22.61 C ATOM 117 SG CYS A 10 9.383 1.893 1.055 1.00 33.02 S ATOM 118 HA CYS A 10 8.418 4.622 1.363 1.00 0.00 H ATOM 119 HB2 CYS A 10 9.154 2.936 -1.069 1.00 0.00 H ATOM 120 HB3 CYS A 10 7.591 2.773 -0.236 1.00 0.00 H ATOM 121 H CYS A 10 7.984 5.192 -1.558 1.00 0.00 H ATOM 122 N TYR A 11 10.740 5.455 1.314 1.00 14.46 N ATOM 123 CA TYR A 11 12.132 5.918 1.292 1.00 15.90 C ATOM 124 C TYR A 11 13.041 5.175 2.276 1.00 17.43 C ATOM 125 O TYR A 11 12.640 4.844 3.398 1.00 18.66 O ATOM 126 CB TYR A 11 12.210 7.413 1.605 1.00 13.07 C ATOM 127 CG TYR A 11 11.458 8.309 0.639 1.00 12.07 C ATOM 128 CD1 TYR A 11 11.953 8.565 -0.635 1.00 11.37 C ATOM 129 CD2 TYR A 11 10.251 8.904 1.003 1.00 10.38 C ATOM 130 CE1 TYR A 11 11.268 9.381 -1.514 1.00 8.85 C ATOM 131 CE2 TYR A 11 9.562 9.729 0.120 1.00 7.30 C ATOM 132 CZ TYR A 11 10.075 9.954 -1.128 1.00 5.72 C ATOM 133 OH TYR A 11 9.386 10.724 -2.021 1.00 8.40 O ATOM 134 HA TYR A 11 12.488 5.711 0.283 1.00 0.00 H ATOM 135 HB3 TYR A 11 13.259 7.707 1.593 1.00 0.00 H ATOM 136 HB2 TYR A 11 11.801 7.572 2.603 1.00 0.00 H ATOM 137 HD2 TYR A 11 9.840 8.720 1.996 1.00 0.00 H ATOM 138 HE2 TYR A 11 8.622 10.192 0.420 1.00 0.00 H ATOM 139 HE1 TYR A 11 11.669 9.571 -2.509 1.00 0.00 H ATOM 140 HD1 TYR A 11 12.896 8.115 -0.945 1.00 0.00 H ATOM 141 HH TYR A 11 9.262 11.632 -1.646 1.00 0.00 H ATOM 142 H TYR A 11 10.192 5.518 2.196 1.00 0.00 H ATOM 143 N SER A 12 14.271 4.922 1.846 1.00 19.83 N ATOM 144 CA SER A 12 15.268 4.262 2.681 1.00 19.96 C ATOM 145 C SER A 12 16.156 5.353 3.272 1.00 20.93 C ATOM 146 O SER A 12 16.236 6.442 2.720 1.00 23.77 O ATOM 147 CB SER A 12 16.132 3.314 1.848 1.00 18.06 C ATOM 148 OG SER A 12 17.169 4.009 1.173 1.00 16.97 O ATOM 149 HA SER A 12 14.775 3.679 3.458 1.00 0.00 H ATOM 150 HB2 SER A 12 15.502 2.816 1.111 1.00 0.00 H ATOM 151 HB3 SER A 12 16.576 2.569 2.507 1.00 0.00 H ATOM 152 HG SER A 12 17.706 3.366 0.645 1.00 0.00 H ATOM 153 H SER A 12 14.533 5.204 0.880 1.00 0.00 H ATOM 154 N SER A 13 16.877 5.039 4.346 1.00 22.45 N ATOM 155 CA SER A 13 17.767 6.007 4.991 1.00 22.02 C ATOM 156 C SER A 13 18.838 6.447 4.021 1.00 22.93 C ATOM 157 O SER A 13 19.384 7.545 4.139 1.00 19.62 O ATOM 158 CB SER A 13 18.413 5.406 6.231 1.00 20.08 C ATOM 159 OG SER A 13 17.421 5.097 7.186 1.00 29.58 O ATOM 160 HA SER A 13 17.174 6.870 5.293 1.00 0.00 H ATOM 161 HB2 SER A 13 19.115 6.123 6.657 1.00 0.00 H ATOM 162 HB3 SER A 13 18.947 4.496 5.956 1.00 0.00 H ATOM 163 HG SER A 13 17.848 4.707 7.989 1.00 0.00 H ATOM 164 H SER A 13 16.806 4.078 4.738 1.00 0.00 H ATOM 165 N SER A 14 19.089 5.589 3.037 1.00 21.05 N ATOM 166 CA SER A 14 20.073 5.846 2.014 1.00 23.13 C ATOM 167 C SER A 14 19.522 6.876 1.025 1.00 21.06 C ATOM 168 O SER A 14 20.278 7.691 0.504 1.00 20.33 O ATOM 169 CB SER A 14 20.436 4.539 1.304 1.00 28.52 C ATOM 170 OG SER A 14 21.554 4.709 0.454 1.00 41.37 O ATOM 171 HA SER A 14 20.979 6.250 2.465 1.00 0.00 H ATOM 172 HB2 SER A 14 19.584 4.209 0.709 1.00 0.00 H ATOM 173 HB3 SER A 14 20.670 3.781 2.052 1.00 0.00 H ATOM 174 HG SER A 14 21.764 3.849 0.010 1.00 0.00 H ATOM 175 H SER A 14 18.555 4.697 3.003 1.00 0.00 H ATOM 176 N ASP A 15 18.219 6.822 0.751 1.00 16.15 N ATOM 177 CA ASP A 15 17.586 7.764 -0.169 1.00 16.63 C ATOM 178 C ASP A 15 17.552 9.115 0.517 1.00 17.93 C ATOM 179 O ASP A 15 17.803 10.155 -0.108 1.00 20.86 O ATOM 180 CB ASP A 15 16.141 7.373 -0.471 1.00 18.11 C ATOM 181 CG ASP A 15 16.024 6.133 -1.325 1.00 18.70 C ATOM 182 OD1 ASP A 15 16.969 5.820 -2.071 1.00 20.59 O ATOM 183 OD2 ASP A 15 14.965 5.480 -1.259 1.00 18.72 O ATOM 184 HA ASP A 15 18.150 7.774 -1.101 1.00 0.00 H ATOM 185 HB2 ASP A 15 15.626 7.193 0.473 1.00 0.00 H ATOM 186 HB3 ASP A 15 15.660 8.200 -0.994 1.00 0.00 H ATOM 187 H ASP A 15 17.637 6.089 1.204 1.00 0.00 H ATOM 188 N VAL A 16 17.213 9.085 1.802 1.00 16.28 N ATOM 189 CA VAL A 16 17.130 10.286 2.601 1.00 14.58 C ATOM 190 C VAL A 16 18.502 10.982 2.753 1.00 16.72 C ATOM 191 O VAL A 16 18.593 12.197 2.593 1.00 18.68 O ATOM 192 CB VAL A 16 16.456 9.978 3.964 1.00 10.30 C ATOM 193 CG1 VAL A 16 16.429 11.200 4.850 1.00 10.02 C ATOM 194 CG2 VAL A 16 15.027 9.489 3.730 1.00 11.31 C ATOM 195 HA VAL A 16 16.498 11.003 2.077 1.00 0.00 H ATOM 196 HB VAL A 16 17.039 9.204 4.464 1.00 0.00 H ATOM 197 HG11 VAL A 16 17.449 11.536 5.035 1.00 0.00 H ATOM 198 HG12 VAL A 16 15.868 11.993 4.356 1.00 0.00 H ATOM 199 HG13 VAL A 16 15.950 10.950 5.797 1.00 0.00 H ATOM 200 HG21 VAL A 16 14.460 10.262 3.211 1.00 0.00 H ATOM 201 HG22 VAL A 16 15.049 8.584 3.123 1.00 0.00 H ATOM 202 HG23 VAL A 16 14.556 9.274 4.689 1.00 0.00 H ATOM 203 H VAL A 16 17.001 8.169 2.246 1.00 0.00 H ATOM 204 N SER A 17 19.583 10.239 2.989 1.00 16.58 N ATOM 205 CA SER A 17 20.878 10.907 3.149 1.00 16.93 C ATOM 206 C SER A 17 21.447 11.440 1.840 1.00 14.83 C ATOM 207 O SER A 17 22.264 12.357 1.845 1.00 16.64 O ATOM 208 CB SER A 17 21.900 10.035 3.883 1.00 15.67 C ATOM 209 OG SER A 17 22.338 8.976 3.066 1.00 28.00 O ATOM 210 HA SER A 17 20.676 11.775 3.777 1.00 0.00 H ATOM 211 HB2 SER A 17 21.439 9.625 4.782 1.00 0.00 H ATOM 212 HB3 SER A 17 22.757 10.648 4.163 1.00 0.00 H ATOM 213 HG SER A 17 22.997 8.428 3.562 1.00 0.00 H ATOM 214 H SER A 17 19.509 9.204 3.058 1.00 0.00 H ATOM 215 N THR A 18 21.002 10.882 0.719 1.00 12.16 N ATOM 216 CA THR A 18 21.451 11.342 -0.591 1.00 12.88 C ATOM 217 C THR A 18 20.761 12.677 -0.898 1.00 11.93 C ATOM 218 O THR A 18 21.348 13.582 -1.481 1.00 12.97 O ATOM 219 CB THR A 18 21.112 10.302 -1.684 1.00 11.09 C ATOM 220 OG1 THR A 18 21.858 9.109 -1.434 1.00 17.07 O ATOM 221 CG2 THR A 18 21.465 10.810 -3.079 1.00 14.35 C ATOM 222 HA THR A 18 22.533 11.472 -0.581 1.00 0.00 H ATOM 223 HB THR A 18 20.039 10.114 -1.648 1.00 0.00 H ATOM 224 HG1 THR A 18 21.616 8.751 -0.543 1.00 0.00 H ATOM 225 HG23 THR A 18 20.903 11.721 -3.285 1.00 0.00 H ATOM 226 HG21 THR A 18 22.533 11.021 -3.128 1.00 0.00 H ATOM 227 HG22 THR A 18 21.210 10.049 -3.817 1.00 0.00 H ATOM 228 H THR A 18 20.319 10.100 0.777 1.00 0.00 H ATOM 229 N ALA A 19 19.503 12.788 -0.500 1.00 12.74 N ATOM 230 CA ALA A 19 18.743 14.004 -0.716 1.00 12.26 C ATOM 231 C ALA A 19 19.310 15.086 0.220 1.00 15.84 C ATOM 232 O ALA A 19 19.573 16.212 -0.198 1.00 17.91 O ATOM 233 CB ALA A 19 17.283 13.750 -0.427 1.00 7.80 C ATOM 234 HA ALA A 19 18.824 14.335 -1.751 1.00 0.00 H ATOM 235 HB1 ALA A 19 16.913 12.969 -1.091 1.00 0.00 H ATOM 236 HB2 ALA A 19 17.169 13.431 0.609 1.00 0.00 H ATOM 237 HB3 ALA A 19 16.717 14.667 -0.591 1.00 0.00 H ATOM 238 H ALA A 19 19.049 11.984 -0.021 1.00 0.00 H ATOM 239 N GLN A 20 19.549 14.715 1.474 1.00 14.16 N ATOM 240 CA GLN A 20 20.097 15.621 2.474 1.00 13.85 C ATOM 241 C GLN A 20 21.489 16.161 2.116 1.00 15.69 C ATOM 242 O GLN A 20 21.826 17.294 2.423 1.00 14.46 O ATOM 243 CB GLN A 20 20.165 14.908 3.820 1.00 14.10 C ATOM 244 CG GLN A 20 20.817 15.722 4.927 1.00 20.25 C ATOM 245 CD GLN A 20 20.735 15.054 6.281 1.00 23.48 C ATOM 246 OE1 GLN A 20 21.216 15.594 7.272 1.00 29.00 O ATOM 247 NE2 GLN A 20 20.116 13.876 6.337 1.00 26.23 N ATOM 248 HA GLN A 20 19.428 16.480 2.517 1.00 0.00 H ATOM 249 HB2 GLN A 20 19.149 14.664 4.129 1.00 0.00 H ATOM 250 HB3 GLN A 20 20.735 13.988 3.691 1.00 0.00 H ATOM 251 HG2 GLN A 20 21.867 15.871 4.676 1.00 0.00 H ATOM 252 HG3 GLN A 20 20.318 16.689 4.986 1.00 0.00 H ATOM 253 HE22 GLN A 20 19.722 13.454 5.472 1.00 0.00 H ATOM 254 HE21 GLN A 20 20.026 13.378 7.246 1.00 0.00 H ATOM 255 H GLN A 20 19.336 13.736 1.753 1.00 0.00 H ATOM 256 N ALA A 21 22.292 15.352 1.452 1.00 14.91 N ATOM 257 CA ALA A 21 23.632 15.767 1.086 1.00 15.16 C ATOM 258 C ALA A 21 23.588 16.838 0.006 1.00 17.55 C ATOM 259 O ALA A 21 24.361 17.798 0.041 1.00 16.29 O ATOM 260 CB ALA A 21 24.448 14.564 0.607 1.00 14.19 C ATOM 261 HA ALA A 21 24.113 16.189 1.968 1.00 0.00 H ATOM 262 HB1 ALA A 21 24.509 13.826 1.407 1.00 0.00 H ATOM 263 HB2 ALA A 21 23.962 14.120 -0.262 1.00 0.00 H ATOM 264 HB3 ALA A 21 25.452 14.892 0.336 1.00 0.00 H ATOM 265 H ALA A 21 21.959 14.403 1.187 1.00 0.00 H ATOM 266 N ALA A 22 22.673 16.682 -0.948 1.00 17.04 N ATOM 267 CA ALA A 22 22.545 17.637 -2.045 1.00 17.67 C ATOM 268 C ALA A 22 21.948 18.953 -1.531 1.00 18.68 C ATOM 269 O ALA A 22 22.416 20.040 -1.874 1.00 19.25 O ATOM 270 CB ALA A 22 21.679 17.045 -3.174 1.00 10.80 C ATOM 271 HA ALA A 22 23.535 17.844 -2.451 1.00 0.00 H ATOM 272 HB1 ALA A 22 22.146 16.134 -3.548 1.00 0.00 H ATOM 273 HB2 ALA A 22 20.687 16.814 -2.786 1.00 0.00 H ATOM 274 HB3 ALA A 22 21.594 17.770 -3.983 1.00 0.00 H ATOM 275 H ALA A 22 22.035 15.862 -0.911 1.00 0.00 H ATOM 276 N GLY A 23 20.954 18.847 -0.659 1.00 16.52 N ATOM 277 CA GLY A 23 20.329 20.033 -0.118 1.00 18.66 C ATOM 278 C GLY A 23 21.229 20.817 0.813 1.00 19.31 C ATOM 279 O GLY A 23 21.219 22.043 0.800 1.00 19.54 O ATOM 280 HA3 GLY A 23 19.438 19.733 0.434 1.00 0.00 H ATOM 281 HA2 GLY A 23 20.041 20.680 -0.946 1.00 0.00 H ATOM 282 H GLY A 23 20.623 17.907 -0.363 1.00 0.00 H ATOM 283 N TYR A 24 22.029 20.122 1.614 1.00 19.13 N ATOM 284 CA TYR A 24 22.912 20.806 2.545 1.00 17.51 C ATOM 285 C TYR A 24 24.027 21.529 1.828 1.00 14.95 C ATOM 286 O TYR A 24 24.432 22.591 2.246 1.00 12.33 O ATOM 287 CB TYR A 24 23.507 19.845 3.571 1.00 19.17 C ATOM 288 CG TYR A 24 24.304 20.568 4.621 1.00 22.57 C ATOM 289 CD1 TYR A 24 23.684 21.083 5.757 1.00 22.72 C ATOM 290 CD2 TYR A 24 25.676 20.777 4.460 1.00 24.15 C ATOM 291 CE1 TYR A 24 24.415 21.798 6.710 1.00 27.12 C ATOM 292 CE2 TYR A 24 26.421 21.489 5.404 1.00 23.87 C ATOM 293 CZ TYR A 24 25.790 22.001 6.525 1.00 28.64 C ATOM 294 OH TYR A 24 26.531 22.723 7.442 1.00 30.53 O ATOM 295 HA TYR A 24 22.297 21.539 3.068 1.00 0.00 H ATOM 296 HB3 TYR A 24 24.160 19.140 3.056 1.00 0.00 H ATOM 297 HB2 TYR A 24 22.697 19.301 4.056 1.00 0.00 H ATOM 298 HD2 TYR A 24 26.176 20.376 3.579 1.00 0.00 H ATOM 299 HE2 TYR A 24 27.491 21.640 5.259 1.00 0.00 H ATOM 300 HE1 TYR A 24 23.918 22.197 7.594 1.00 0.00 H ATOM 301 HD1 TYR A 24 22.615 20.926 5.905 1.00 0.00 H ATOM 302 HH TYR A 24 25.942 23.019 8.181 1.00 0.00 H ATOM 303 H TYR A 24 22.024 19.083 1.575 1.00 0.00 H ATOM 304 N GLN A 25 24.528 20.950 0.750 1.00 16.78 N ATOM 305 CA GLN A 25 25.601 21.575 0.003 1.00 18.50 C ATOM 306 C GLN A 25 25.087 22.887 -0.581 1.00 19.85 C ATOM 307 O GLN A 25 25.776 23.922 -0.529 1.00 16.46 O ATOM 308 CB GLN A 25 26.098 20.646 -1.097 1.00 21.24 C ATOM 309 CG GLN A 25 27.415 21.082 -1.706 1.00 28.38 C ATOM 310 CD GLN A 25 28.443 21.449 -0.661 1.00 28.88 C ATOM 311 OE1 GLN A 25 29.164 20.596 -0.152 1.00 35.77 O ATOM 312 NE2 GLN A 25 28.533 22.732 -0.353 1.00 33.83 N ATOM 313 HA GLN A 25 26.443 21.778 0.664 1.00 0.00 H ATOM 314 HB2 GLN A 25 26.226 19.649 -0.676 1.00 0.00 H ATOM 315 HB3 GLN A 25 25.347 20.612 -1.886 1.00 0.00 H ATOM 316 HG2 GLN A 25 27.808 20.265 -2.311 1.00 0.00 H ATOM 317 HG3 GLN A 25 27.236 21.950 -2.341 1.00 0.00 H ATOM 318 HE22 GLN A 25 27.902 23.422 -0.809 1.00 0.00 H ATOM 319 HE21 GLN A 25 29.235 23.051 0.345 1.00 0.00 H ATOM 320 H GLN A 25 24.147 20.035 0.434 1.00 0.00 H ATOM 321 N LEU A 26 23.865 22.848 -1.115 1.00 18.28 N ATOM 322 CA LEU A 26 23.248 24.044 -1.671 1.00 18.71 C ATOM 323 C LEU A 26 23.131 25.077 -0.560 1.00 21.11 C ATOM 324 O LEU A 26 23.437 26.249 -0.762 1.00 24.05 O ATOM 325 CB LEU A 26 21.865 23.751 -2.253 1.00 13.56 C ATOM 326 CG LEU A 26 21.861 23.164 -3.664 1.00 16.41 C ATOM 327 CD1 LEU A 26 20.441 23.059 -4.205 1.00 17.78 C ATOM 328 CD2 LEU A 26 22.703 24.026 -4.565 1.00 13.55 C ATOM 329 HA LEU A 26 23.869 24.416 -2.486 1.00 0.00 H ATOM 330 HB2 LEU A 26 21.364 23.043 -1.592 1.00 0.00 H ATOM 331 HB3 LEU A 26 21.304 24.685 -2.275 1.00 0.00 H ATOM 332 HG LEU A 26 22.280 22.158 -3.629 1.00 0.00 H ATOM 333 HD21 LEU A 26 22.292 25.035 -4.588 1.00 0.00 H ATOM 334 HD22 LEU A 26 23.724 24.057 -4.185 1.00 0.00 H ATOM 335 HD23 LEU A 26 22.701 23.608 -5.572 1.00 0.00 H ATOM 336 HD11 LEU A 26 19.852 22.412 -3.554 1.00 0.00 H ATOM 337 HD12 LEU A 26 19.991 24.051 -4.236 1.00 0.00 H ATOM 338 HD13 LEU A 26 20.467 22.638 -5.210 1.00 0.00 H ATOM 339 H LEU A 26 23.344 21.948 -1.134 1.00 0.00 H ATOM 340 N HIS A 27 22.744 24.625 0.629 1.00 23.65 N ATOM 341 CA HIS A 27 22.602 25.510 1.774 1.00 22.70 C ATOM 342 C HIS A 27 23.948 26.104 2.131 1.00 24.29 C ATOM 343 O HIS A 27 24.081 27.309 2.286 1.00 27.99 O ATOM 344 CB HIS A 27 22.048 24.757 2.983 1.00 23.39 C ATOM 345 CG HIS A 27 22.312 25.443 4.283 1.00 25.90 C ATOM 346 ND1 HIS A 27 21.843 26.706 4.563 1.00 28.62 N ATOM 347 CD2 HIS A 27 23.086 25.091 5.336 1.00 29.94 C ATOM 348 CE1 HIS A 27 22.325 27.110 5.724 1.00 32.22 C ATOM 349 NE2 HIS A 27 23.084 26.148 6.213 1.00 30.33 N ATOM 350 HA HIS A 27 21.904 26.303 1.506 1.00 0.00 H ATOM 351 HB2 HIS A 27 20.970 24.652 2.860 1.00 0.00 H ATOM 352 HB3 HIS A 27 22.507 23.769 3.014 1.00 0.00 H ATOM 353 HD2 HIS A 27 23.613 24.145 5.464 1.00 0.00 H ATOM 354 HE1 HIS A 27 22.130 28.072 6.197 1.00 0.00 H ATOM 355 H HIS A 27 22.537 23.612 0.743 1.00 0.00 H ATOM 356 N GLU A 28 24.941 25.243 2.281 1.00 27.05 N ATOM 357 CA GLU A 28 26.270 25.671 2.635 1.00 27.91 C ATOM 358 C GLU A 28 26.837 26.603 1.580 1.00 29.58 C ATOM 359 O GLU A 28 27.516 27.569 1.910 1.00 32.70 O ATOM 360 CB GLU A 28 27.168 24.465 2.824 1.00 31.11 C ATOM 361 CG GLU A 28 28.520 24.834 3.355 1.00 44.74 C ATOM 362 CD GLU A 28 29.226 23.662 3.981 1.00 53.77 C ATOM 363 OE1 GLU A 28 29.869 22.889 3.223 1.00 60.59 O ATOM 364 OE2 GLU A 28 29.131 23.518 5.229 1.00 58.91 O ATOM 365 HA GLU A 28 26.220 26.222 3.574 1.00 0.00 H ATOM 366 HB2 GLU A 28 26.691 23.780 3.526 1.00 0.00 H ATOM 367 HB3 GLU A 28 27.294 23.968 1.862 1.00 0.00 H ATOM 368 HG2 GLU A 28 29.128 25.212 2.534 1.00 0.00 H ATOM 369 HG3 GLU A 28 28.401 25.614 4.107 1.00 0.00 H ATOM 370 H GLU A 28 24.757 24.229 2.139 1.00 0.00 H ATOM 371 N ASP A 29 26.553 26.314 0.312 1.00 30.43 N ATOM 372 CA ASP A 29 27.016 27.144 -0.797 1.00 29.47 C ATOM 373 C ASP A 29 26.178 28.418 -0.872 1.00 30.82 C ATOM 374 O ASP A 29 26.444 29.292 -1.693 1.00 29.72 O ATOM 375 CB ASP A 29 26.862 26.403 -2.131 1.00 32.04 C ATOM 376 CG ASP A 29 27.910 25.335 -2.348 1.00 35.04 C ATOM 377 OD1 ASP A 29 29.015 25.440 -1.780 1.00 33.73 O ATOM 378 OD2 ASP A 29 27.621 24.396 -3.120 1.00 34.14 O ATOM 379 HA ASP A 29 28.066 27.380 -0.624 1.00 0.00 H ATOM 380 HB2 ASP A 29 25.879 25.933 -2.154 1.00 0.00 H ATOM 381 HB3 ASP A 29 26.935 27.129 -2.941 1.00 0.00 H ATOM 382 H ASP A 29 25.983 25.469 0.104 1.00 0.00 H ATOM 383 N GLY A 30 25.133 28.495 -0.054 1.00 29.49 N ATOM 384 CA GLY A 30 24.259 29.654 -0.069 1.00 27.45 C ATOM 385 C GLY A 30 23.577 29.820 -1.417 1.00 24.61 C ATOM 386 O GLY A 30 23.498 30.930 -1.943 1.00 27.80 O ATOM 387 HA3 GLY A 30 24.849 30.546 0.142 1.00 0.00 H ATOM 388 HA2 GLY A 30 23.497 29.533 0.701 1.00 0.00 H ATOM 389 H GLY A 30 24.939 27.715 0.605 1.00 0.00 H ATOM 390 N GLU A 31 23.164 28.707 -2.014 1.00 20.34 N ATOM 391 CA GLU A 31 22.481 28.727 -3.297 1.00 17.51 C ATOM 392 C GLU A 31 21.135 28.054 -3.091 1.00 19.08 C ATOM 393 O GLU A 31 20.907 27.394 -2.065 1.00 18.87 O ATOM 394 CB GLU A 31 23.279 27.960 -4.347 1.00 18.63 C ATOM 395 CG GLU A 31 24.687 28.463 -4.534 1.00 30.64 C ATOM 396 CD GLU A 31 25.522 27.577 -5.450 1.00 38.52 C ATOM 397 OE1 GLU A 31 25.493 26.333 -5.300 1.00 44.72 O ATOM 398 OE2 GLU A 31 26.229 28.130 -6.320 1.00 47.08 O ATOM 399 HA GLU A 31 22.367 29.752 -3.650 1.00 0.00 H ATOM 400 HB2 GLU A 31 23.326 26.913 -4.046 1.00 0.00 H ATOM 401 HB3 GLU A 31 22.757 28.039 -5.300 1.00 0.00 H ATOM 402 HG2 GLU A 31 24.644 29.464 -4.964 1.00 0.00 H ATOM 403 HG3 GLU A 31 25.172 28.508 -3.559 1.00 0.00 H ATOM 404 H GLU A 31 23.335 27.793 -1.549 1.00 0.00 H ATOM 405 N THR A 32 20.249 28.219 -4.067 1.00 16.93 N ATOM 406 CA THR A 32 18.919 27.630 -4.023 1.00 16.93 C ATOM 407 C THR A 32 18.533 27.201 -5.429 1.00 17.25 C ATOM 408 O THR A 32 19.240 27.525 -6.378 1.00 19.27 O ATOM 409 CB THR A 32 17.871 28.627 -3.467 1.00 13.98 C ATOM 410 OG1 THR A 32 17.910 29.834 -4.228 1.00 19.74 O ATOM 411 CG2 THR A 32 18.156 28.954 -2.024 1.00 12.09 C ATOM 412 HA THR A 32 18.937 26.770 -3.353 1.00 0.00 H ATOM 413 HB THR A 32 16.887 28.165 -3.539 1.00 0.00 H ATOM 414 HG1 THR A 32 17.704 29.632 -5.175 1.00 0.00 H ATOM 415 HG23 THR A 32 18.129 28.038 -1.433 1.00 0.00 H ATOM 416 HG21 THR A 32 19.143 29.410 -1.944 1.00 0.00 H ATOM 417 HG22 THR A 32 17.402 29.649 -1.655 1.00 0.00 H ATOM 418 H THR A 32 20.516 28.791 -4.894 1.00 0.00 H ATOM 419 N VAL A 33 17.451 26.432 -5.559 1.00 18.52 N ATOM 420 CA VAL A 33 16.970 25.969 -6.860 1.00 18.58 C ATOM 421 C VAL A 33 15.436 25.968 -6.905 1.00 17.39 C ATOM 422 O VAL A 33 14.774 25.826 -5.887 1.00 18.27 O ATOM 423 CB VAL A 33 17.524 24.554 -7.233 1.00 19.86 C ATOM 424 CG1 VAL A 33 19.025 24.620 -7.468 1.00 23.22 C ATOM 425 CG2 VAL A 33 17.217 23.540 -6.148 1.00 20.22 C ATOM 426 HA VAL A 33 17.348 26.672 -7.603 1.00 0.00 H ATOM 427 HB VAL A 33 17.030 24.234 -8.150 1.00 0.00 H ATOM 428 HG11 VAL A 33 19.234 25.311 -8.285 1.00 0.00 H ATOM 429 HG12 VAL A 33 19.519 24.968 -6.561 1.00 0.00 H ATOM 430 HG13 VAL A 33 19.395 23.628 -7.726 1.00 0.00 H ATOM 431 HG21 VAL A 33 17.678 23.859 -5.213 1.00 0.00 H ATOM 432 HG22 VAL A 33 16.138 23.467 -6.016 1.00 0.00 H ATOM 433 HG23 VAL A 33 17.615 22.568 -6.438 1.00 0.00 H ATOM 434 H VAL A 33 16.930 26.151 -4.704 1.00 0.00 H ATOM 435 N GLY A 34 14.877 26.152 -8.089 1.00 17.40 N ATOM 436 CA GLY A 34 13.432 26.168 -8.233 1.00 17.90 C ATOM 437 C GLY A 34 12.786 27.498 -7.889 1.00 16.65 C ATOM 438 O GLY A 34 13.353 28.313 -7.154 1.00 18.39 O ATOM 439 HA3 GLY A 34 13.014 25.405 -7.576 1.00 0.00 H ATOM 440 HA2 GLY A 34 13.189 25.927 -9.268 1.00 0.00 H ATOM 441 H GLY A 34 15.479 26.287 -8.926 1.00 0.00 H ATOM 442 N SER A 35 11.572 27.692 -8.397 1.00 18.45 N ATOM 443 CA SER A 35 10.798 28.916 -8.182 1.00 16.25 C ATOM 444 C SER A 35 10.597 29.248 -6.729 1.00 14.00 C ATOM 445 O SER A 35 10.529 30.417 -6.381 1.00 13.36 O ATOM 446 CB SER A 35 9.415 28.787 -8.809 1.00 15.05 C ATOM 447 OG SER A 35 9.512 28.381 -10.155 1.00 28.38 O ATOM 448 HA SER A 35 11.381 29.712 -8.646 1.00 0.00 H ATOM 449 HB2 SER A 35 8.909 29.752 -8.762 1.00 0.00 H ATOM 450 HB3 SER A 35 8.838 28.048 -8.253 1.00 0.00 H ATOM 451 HG SER A 35 8.604 28.304 -10.541 1.00 0.00 H ATOM 452 H SER A 35 11.152 26.937 -8.976 1.00 0.00 H ATOM 453 N ASN A 36 10.450 28.226 -5.886 1.00 13.83 N ATOM 454 CA ASN A 36 10.225 28.460 -4.459 1.00 11.83 C ATOM 455 C ASN A 36 11.519 28.491 -3.639 1.00 10.36 C ATOM 456 O ASN A 36 11.483 28.435 -2.419 1.00 15.07 O ATOM 457 CB ASN A 36 9.261 27.424 -3.868 1.00 13.12 C ATOM 458 CG ASN A 36 7.877 27.398 -4.554 1.00 11.27 C ATOM 459 OD1 ASN A 36 7.421 28.363 -5.170 1.00 15.14 O ATOM 460 ND2 ASN A 36 7.204 26.265 -4.425 1.00 14.26 N ATOM 461 HA ASN A 36 9.776 29.451 -4.393 1.00 0.00 H ATOM 462 HB2 ASN A 36 9.713 26.437 -3.968 1.00 0.00 H ATOM 463 HB3 ASN A 36 9.117 27.651 -2.812 1.00 0.00 H ATOM 464 HD22 ASN A 36 7.620 25.470 -3.898 1.00 0.00 H ATOM 465 HD21 ASN A 36 6.260 26.170 -4.851 1.00 0.00 H ATOM 466 H ASN A 36 10.496 27.251 -6.246 1.00 0.00 H ATOM 467 N SER A 37 12.659 28.527 -4.310 1.00 10.38 N ATOM 468 CA SER A 37 13.944 28.589 -3.630 1.00 12.14 C ATOM 469 C SER A 37 14.177 27.553 -2.520 1.00 12.81 C ATOM 470 O SER A 37 14.037 27.860 -1.329 1.00 10.91 O ATOM 471 CB SER A 37 14.178 29.999 -3.054 1.00 14.35 C ATOM 472 OG SER A 37 14.159 31.001 -4.055 1.00 12.75 O ATOM 473 HA SER A 37 14.664 28.343 -4.411 1.00 0.00 H ATOM 474 HB2 SER A 37 15.148 30.018 -2.557 1.00 0.00 H ATOM 475 HB3 SER A 37 13.395 30.215 -2.327 1.00 0.00 H ATOM 476 HG SER A 37 14.313 31.886 -3.638 1.00 0.00 H ATOM 477 H SER A 37 12.636 28.511 -5.350 1.00 0.00 H ATOM 478 N TYR A 38 14.487 26.320 -2.912 1.00 11.82 N ATOM 479 CA TYR A 38 14.791 25.249 -1.960 1.00 11.10 C ATOM 480 C TYR A 38 16.296 25.077 -2.067 1.00 12.01 C ATOM 481 O TYR A 38 16.843 25.188 -3.158 1.00 13.73 O ATOM 482 CB TYR A 38 14.095 23.934 -2.342 1.00 10.66 C ATOM 483 CG TYR A 38 12.587 24.012 -2.323 1.00 8.25 C ATOM 484 CD1 TYR A 38 11.884 24.127 -1.119 1.00 8.76 C ATOM 485 CD2 TYR A 38 11.862 23.995 -3.508 1.00 8.89 C ATOM 486 CE1 TYR A 38 10.484 24.223 -1.107 1.00 11.24 C ATOM 487 CE2 TYR A 38 10.464 24.087 -3.510 1.00 10.11 C ATOM 488 CZ TYR A 38 9.784 24.199 -2.305 1.00 8.68 C ATOM 489 OH TYR A 38 8.406 24.285 -2.320 1.00 11.49 O ATOM 490 HA TYR A 38 14.448 25.496 -0.955 1.00 0.00 H ATOM 491 HB3 TYR A 38 14.408 23.163 -1.638 1.00 0.00 H ATOM 492 HB2 TYR A 38 14.412 23.657 -3.347 1.00 0.00 H ATOM 493 HD2 TYR A 38 12.392 23.908 -4.456 1.00 0.00 H ATOM 494 HE2 TYR A 38 9.914 24.071 -4.451 1.00 0.00 H ATOM 495 HE1 TYR A 38 9.949 24.316 -0.162 1.00 0.00 H ATOM 496 HD1 TYR A 38 12.432 24.142 -0.177 1.00 0.00 H ATOM 497 HH TYR A 38 8.071 24.359 -1.391 1.00 0.00 H ATOM 498 H TYR A 38 14.514 26.109 -3.930 1.00 0.00 H ATOM 499 N PRO A 39 16.991 24.844 -0.940 1.00 13.56 N ATOM 500 CA PRO A 39 16.450 24.735 0.418 1.00 13.01 C ATOM 501 C PRO A 39 16.194 26.094 1.072 1.00 14.12 C ATOM 502 O PRO A 39 16.740 27.108 0.653 1.00 17.37 O ATOM 503 CB PRO A 39 17.559 23.993 1.153 1.00 10.97 C ATOM 504 CG PRO A 39 18.785 24.572 0.556 1.00 10.51 C ATOM 505 CD PRO A 39 18.448 24.607 -0.935 1.00 13.68 C ATOM 506 HA PRO A 39 15.480 24.239 0.435 1.00 0.00 H ATOM 507 HD3 PRO A 39 18.979 25.415 -1.438 1.00 0.00 H ATOM 508 HD2 PRO A 39 18.693 23.659 -1.415 1.00 0.00 H ATOM 509 HG3 PRO A 39 19.652 23.941 0.749 1.00 0.00 H ATOM 510 HG2 PRO A 39 18.974 25.574 0.940 1.00 0.00 H ATOM 511 HB2 PRO A 39 17.516 24.182 2.226 1.00 0.00 H ATOM 512 HB3 PRO A 39 17.502 22.920 0.972 1.00 0.00 H ATOM 513 N HIS A 40 15.314 26.112 2.062 1.00 15.24 N ATOM 514 CA HIS A 40 15.013 27.329 2.785 1.00 14.56 C ATOM 515 C HIS A 40 14.509 27.020 4.174 1.00 17.30 C ATOM 516 O HIS A 40 14.133 25.878 4.468 1.00 13.88 O ATOM 517 CB HIS A 40 14.074 28.268 2.002 1.00 16.17 C ATOM 518 CG HIS A 40 12.697 27.737 1.765 1.00 11.53 C ATOM 519 ND1 HIS A 40 12.118 27.733 0.519 1.00 9.95 N ATOM 520 CD2 HIS A 40 11.763 27.246 2.619 1.00 12.32 C ATOM 521 CE1 HIS A 40 10.886 27.262 0.607 1.00 10.76 C ATOM 522 NE2 HIS A 40 10.647 26.962 1.873 1.00 6.78 N ATOM 523 HA HIS A 40 15.945 27.883 2.896 1.00 0.00 H ATOM 524 HB2 HIS A 40 13.985 29.200 2.561 1.00 0.00 H ATOM 525 HB3 HIS A 40 14.530 28.470 1.033 1.00 0.00 H ATOM 526 HD2 HIS A 40 11.878 27.104 3.694 1.00 0.00 H ATOM 527 HE1 HIS A 40 10.187 27.142 -0.221 1.00 0.00 H ATOM 528 H HIS A 40 14.828 25.231 2.326 1.00 0.00 H ATOM 529 N LYS A 41 14.526 28.045 5.018 1.00 18.94 N ATOM 530 CA LYS A 41 14.120 27.955 6.419 1.00 19.57 C ATOM 531 C LYS A 41 12.819 27.219 6.680 1.00 18.09 C ATOM 532 O LYS A 41 11.806 27.471 6.033 1.00 18.18 O ATOM 533 CB LYS A 41 14.023 29.355 7.019 1.00 26.02 C ATOM 534 CG LYS A 41 14.187 29.434 8.526 1.00 30.69 C ATOM 535 CD LYS A 41 15.655 29.263 8.882 1.00 38.07 C ATOM 536 CE LYS A 41 16.137 30.318 9.875 1.00 42.38 C ATOM 537 NZ LYS A 41 15.394 30.280 11.170 1.00 49.51 N ATOM 538 HA LYS A 41 14.898 27.358 6.895 1.00 0.00 H ATOM 539 HB2 LYS A 41 14.799 29.970 6.564 1.00 0.00 H ATOM 540 HB3 LYS A 41 13.044 29.762 6.766 1.00 0.00 H ATOM 541 HG2 LYS A 41 13.837 30.404 8.880 1.00 0.00 H ATOM 542 HG3 LYS A 41 13.603 28.644 8.998 1.00 0.00 H ATOM 543 HD2 LYS A 41 15.797 28.276 9.322 1.00 0.00 H ATOM 544 HD3 LYS A 41 16.248 29.342 7.971 1.00 0.00 H ATOM 545 HE2 LYS A 41 16.006 31.303 9.427 1.00 0.00 H ATOM 546 HE3 LYS A 41 17.195 30.149 10.076 1.00 0.00 H ATOM 547 HZ1 LYS A 41 14.383 30.449 10.993 1.00 0.00 H ATOM 548 HZ2 LYS A 41 15.519 29.347 11.613 1.00 0.00 H ATOM 549 HZ3 LYS A 41 15.765 31.018 11.803 1.00 0.00 H ATOM 550 H LYS A 41 14.848 28.967 4.661 1.00 0.00 H ATOM 551 N TYR A 42 12.876 26.266 7.590 1.00 12.61 N ATOM 552 CA TYR A 42 11.697 25.520 7.969 1.00 13.48 C ATOM 553 C TYR A 42 11.507 25.929 9.430 1.00 13.98 C ATOM 554 O TYR A 42 12.282 25.539 10.301 1.00 12.18 O ATOM 555 CB TYR A 42 11.918 24.005 7.830 1.00 13.06 C ATOM 556 CG TYR A 42 10.755 23.200 8.337 1.00 9.39 C ATOM 557 CD1 TYR A 42 9.594 23.051 7.576 1.00 4.93 C ATOM 558 CD2 TYR A 42 10.783 22.653 9.613 1.00 8.00 C ATOM 559 CE1 TYR A 42 8.488 22.390 8.089 1.00 5.51 C ATOM 560 CE2 TYR A 42 9.689 21.986 10.128 1.00 10.43 C ATOM 561 CZ TYR A 42 8.543 21.862 9.369 1.00 8.18 C ATOM 562 OH TYR A 42 7.449 21.234 9.925 1.00 8.23 O ATOM 563 HA TYR A 42 10.830 25.730 7.343 1.00 0.00 H ATOM 564 HB3 TYR A 42 12.807 23.729 8.397 1.00 0.00 H ATOM 565 HB2 TYR A 42 12.072 23.770 6.777 1.00 0.00 H ATOM 566 HD2 TYR A 42 11.684 22.752 10.219 1.00 0.00 H ATOM 567 HE2 TYR A 42 9.730 21.559 11.130 1.00 0.00 H ATOM 568 HE1 TYR A 42 7.583 22.287 7.490 1.00 0.00 H ATOM 569 HD1 TYR A 42 9.556 23.459 6.566 1.00 0.00 H ATOM 570 HH TYR A 42 6.709 21.220 9.268 1.00 0.00 H ATOM 571 H TYR A 42 13.786 26.047 8.043 1.00 0.00 H ATOM 572 N ASN A 43 10.429 26.661 9.691 1.00 12.71 N ATOM 573 CA ASN A 43 10.154 27.185 11.019 1.00 12.80 C ATOM 574 C ASN A 43 9.531 26.273 12.060 1.00 15.97 C ATOM 575 O ASN A 43 9.596 26.585 13.249 1.00 14.83 O ATOM 576 CB ASN A 43 9.337 28.468 10.900 1.00 11.87 C ATOM 577 CG ASN A 43 10.075 29.562 10.154 1.00 11.98 C ATOM 578 OD1 ASN A 43 11.154 29.987 10.556 1.00 12.76 O ATOM 579 ND2 ASN A 43 9.502 30.012 9.052 1.00 9.58 N ATOM 580 HA ASN A 43 11.154 27.344 11.423 1.00 0.00 H ATOM 581 HB2 ASN A 43 8.412 28.245 10.368 1.00 0.00 H ATOM 582 HB3 ASN A 43 9.101 28.826 11.902 1.00 0.00 H ATOM 583 HD22 ASN A 43 8.587 29.624 8.746 1.00 0.00 H ATOM 584 HD21 ASN A 43 9.966 30.754 8.490 1.00 0.00 H ATOM 585 H ASN A 43 9.761 26.866 8.921 1.00 0.00 H ATOM 586 N ASN A 44 8.913 25.179 11.613 1.00 15.94 N ATOM 587 CA ASN A 44 8.261 24.193 12.484 1.00 11.06 C ATOM 588 C ASN A 44 6.946 24.709 13.063 1.00 12.62 C ATOM 589 O ASN A 44 6.706 24.664 14.267 1.00 12.14 O ATOM 590 CB ASN A 44 9.210 23.719 13.593 1.00 10.41 C ATOM 591 CG ASN A 44 8.845 22.349 14.166 1.00 11.62 C ATOM 592 OD1 ASN A 44 7.876 21.704 13.754 1.00 11.51 O ATOM 593 ND2 ASN A 44 9.620 21.910 15.143 1.00 11.09 N ATOM 594 HA ASN A 44 8.014 23.334 11.860 1.00 0.00 H ATOM 595 HB2 ASN A 44 10.219 23.664 13.184 1.00 0.00 H ATOM 596 HB3 ASN A 44 9.187 24.449 14.402 1.00 0.00 H ATOM 597 HD22 ASN A 44 10.428 22.482 15.463 1.00 0.00 H ATOM 598 HD21 ASN A 44 9.422 20.993 15.591 1.00 0.00 H ATOM 599 H ASN A 44 8.892 25.014 10.586 1.00 0.00 H ATOM 600 N TYR A 45 6.089 25.200 12.178 1.00 15.59 N ATOM 601 CA TYR A 45 4.774 25.685 12.568 1.00 14.60 C ATOM 602 C TYR A 45 4.014 24.503 13.174 1.00 14.30 C ATOM 603 O TYR A 45 3.174 24.671 14.054 1.00 15.81 O ATOM 604 CB TYR A 45 3.999 26.185 11.333 1.00 11.93 C ATOM 605 CG TYR A 45 4.671 27.317 10.581 1.00 10.01 C ATOM 606 CD1 TYR A 45 5.610 28.124 11.207 1.00 8.44 C ATOM 607 CD2 TYR A 45 4.369 27.578 9.244 1.00 8.50 C ATOM 608 CE1 TYR A 45 6.228 29.152 10.542 1.00 8.18 C ATOM 609 CE2 TYR A 45 4.998 28.623 8.558 1.00 6.86 C ATOM 610 CZ TYR A 45 5.924 29.398 9.224 1.00 7.66 C ATOM 611 OH TYR A 45 6.569 30.428 8.596 1.00 9.75 O ATOM 612 HA TYR A 45 4.875 26.507 13.277 1.00 0.00 H ATOM 613 HB3 TYR A 45 3.019 26.530 11.663 1.00 0.00 H ATOM 614 HB2 TYR A 45 3.875 25.347 10.647 1.00 0.00 H ATOM 615 HD2 TYR A 45 3.634 26.960 8.728 1.00 0.00 H ATOM 616 HE2 TYR A 45 4.760 28.821 7.513 1.00 0.00 H ATOM 617 HE1 TYR A 45 6.960 29.774 11.058 1.00 0.00 H ATOM 618 HD1 TYR A 45 5.862 27.937 12.251 1.00 0.00 H ATOM 619 HH TYR A 45 7.079 30.075 7.824 1.00 0.00 H ATOM 620 H TYR A 45 6.365 25.239 11.176 1.00 0.00 H ATOM 621 N GLU A 46 4.312 23.307 12.674 1.00 15.25 N ATOM 622 CA GLU A 46 3.650 22.085 13.121 1.00 12.34 C ATOM 623 C GLU A 46 3.995 21.674 14.540 1.00 12.13 C ATOM 624 O GLU A 46 3.261 20.912 15.161 1.00 11.91 O ATOM 625 CB GLU A 46 3.945 20.925 12.171 1.00 11.48 C ATOM 626 CG GLU A 46 3.201 20.968 10.856 1.00 14.31 C ATOM 627 CD GLU A 46 3.786 21.970 9.886 1.00 16.87 C ATOM 628 OE1 GLU A 46 4.975 22.310 10.018 1.00 16.59 O ATOM 629 OE2 GLU A 46 3.056 22.414 8.982 1.00 17.94 O ATOM 630 HA GLU A 46 2.586 22.320 13.112 1.00 0.00 H ATOM 631 HB2 GLU A 46 5.013 20.928 11.955 1.00 0.00 H ATOM 632 HB3 GLU A 46 3.681 19.997 12.678 1.00 0.00 H ATOM 633 HG2 GLU A 46 3.240 19.978 10.401 1.00 0.00 H ATOM 634 HG3 GLU A 46 2.163 21.237 11.051 1.00 0.00 H ATOM 635 H GLU A 46 5.043 23.240 11.938 1.00 0.00 H ATOM 636 N GLY A 47 5.121 22.170 15.038 1.00 11.83 N ATOM 637 CA GLY A 47 5.551 21.839 16.382 1.00 12.73 C ATOM 638 C GLY A 47 6.008 20.393 16.545 1.00 18.48 C ATOM 639 O GLY A 47 5.760 19.779 17.592 1.00 19.29 O ATOM 640 HA3 GLY A 47 4.718 22.015 17.063 1.00 0.00 H ATOM 641 HA2 GLY A 47 6.381 22.494 16.648 1.00 0.00 H ATOM 642 H GLY A 47 5.703 22.805 14.455 1.00 0.00 H ATOM 643 N PHE A 48 6.627 19.835 15.504 1.00 17.11 N ATOM 644 CA PHE A 48 7.134 18.467 15.548 1.00 16.12 C ATOM 645 C PHE A 48 8.247 18.439 16.566 1.00 19.43 C ATOM 646 O PHE A 48 8.976 19.420 16.701 1.00 17.14 O ATOM 647 CB PHE A 48 7.769 18.056 14.211 1.00 11.44 C ATOM 648 CG PHE A 48 6.810 17.938 13.080 1.00 4.45 C ATOM 649 CD1 PHE A 48 5.668 17.183 13.203 1.00 4.81 C ATOM 650 CD2 PHE A 48 7.075 18.564 11.869 1.00 7.73 C ATOM 651 CE1 PHE A 48 4.790 17.043 12.133 1.00 6.21 C ATOM 652 CE2 PHE A 48 6.207 18.432 10.789 1.00 8.68 C ATOM 653 CZ PHE A 48 5.064 17.669 10.922 1.00 8.81 C ATOM 654 HA PHE A 48 6.307 17.797 15.780 1.00 0.00 H ATOM 655 HB2 PHE A 48 8.517 18.803 13.946 1.00 0.00 H ATOM 656 HB3 PHE A 48 8.254 17.090 14.348 1.00 0.00 H ATOM 657 HD2 PHE A 48 7.976 19.168 11.763 1.00 0.00 H ATOM 658 HE2 PHE A 48 6.428 18.928 9.844 1.00 0.00 H ATOM 659 HZ PHE A 48 4.379 17.558 10.081 1.00 0.00 H ATOM 660 HE1 PHE A 48 3.887 16.442 12.244 1.00 0.00 H ATOM 661 HD1 PHE A 48 5.448 16.689 14.149 1.00 0.00 H ATOM 662 H PHE A 48 6.752 20.391 14.634 1.00 0.00 H ATOM 663 N ASP A 49 8.459 17.278 17.176 1.00 26.34 N ATOM 664 CA ASP A 49 9.519 17.126 18.160 1.00 31.82 C ATOM 665 C ASP A 49 10.840 16.644 17.549 1.00 31.31 C ATOM 666 O ASP A 49 11.182 15.470 17.634 1.00 31.72 O ATOM 667 CB ASP A 49 9.083 16.191 19.284 1.00 38.42 C ATOM 668 CG ASP A 49 9.932 16.355 20.535 1.00 49.60 C ATOM 669 OD1 ASP A 49 10.519 17.457 20.729 1.00 50.49 O ATOM 670 OD2 ASP A 49 10.007 15.387 21.329 1.00 54.14 O ATOM 671 HA ASP A 49 9.704 18.119 18.569 1.00 0.00 H ATOM 672 HB2 ASP A 49 8.044 16.405 19.535 1.00 0.00 H ATOM 673 HB3 ASP A 49 9.167 15.161 18.936 1.00 0.00 H ATOM 674 H ASP A 49 7.856 16.463 16.946 1.00 0.00 H ATOM 675 N PHE A 50 11.558 17.557 16.901 1.00 30.60 N ATOM 676 CA PHE A 50 12.840 17.242 16.286 1.00 30.35 C ATOM 677 C PHE A 50 13.883 17.132 17.378 1.00 31.93 C ATOM 678 O PHE A 50 13.944 17.974 18.270 1.00 33.71 O ATOM 679 CB PHE A 50 13.235 18.333 15.291 1.00 27.38 C ATOM 680 CG PHE A 50 12.334 18.408 14.089 1.00 24.69 C ATOM 681 CD1 PHE A 50 11.856 17.247 13.485 1.00 25.18 C ATOM 682 CD2 PHE A 50 11.983 19.632 13.543 1.00 21.63 C ATOM 683 CE1 PHE A 50 11.046 17.315 12.356 1.00 22.17 C ATOM 684 CE2 PHE A 50 11.177 19.707 12.418 1.00 18.24 C ATOM 685 CZ PHE A 50 10.710 18.556 11.823 1.00 19.13 C ATOM 686 HA PHE A 50 12.766 16.299 15.744 1.00 0.00 H ATOM 687 HB2 PHE A 50 13.206 19.294 15.804 1.00 0.00 H ATOM 688 HB3 PHE A 50 14.251 18.136 14.949 1.00 0.00 H ATOM 689 HD2 PHE A 50 12.346 20.550 14.005 1.00 0.00 H ATOM 690 HE2 PHE A 50 10.912 20.679 12.003 1.00 0.00 H ATOM 691 HZ PHE A 50 10.079 18.617 10.937 1.00 0.00 H ATOM 692 HE1 PHE A 50 10.676 16.401 11.891 1.00 0.00 H ATOM 693 HD1 PHE A 50 12.120 16.275 13.902 1.00 0.00 H ATOM 694 H PHE A 50 11.192 18.528 16.831 1.00 0.00 H ATOM 695 N SER A 51 14.705 16.096 17.317 1.00 32.76 N ATOM 696 CA SER A 51 15.724 15.907 18.344 1.00 36.82 C ATOM 697 C SER A 51 16.950 16.814 18.176 1.00 34.98 C ATOM 698 O SER A 51 17.642 17.110 19.154 1.00 39.48 O ATOM 699 CB SER A 51 16.142 14.436 18.423 1.00 39.80 C ATOM 700 OG SER A 51 16.748 14.007 17.215 1.00 51.90 O ATOM 701 HA SER A 51 15.262 16.204 19.286 1.00 0.00 H ATOM 702 HB2 SER A 51 15.259 13.826 18.614 1.00 0.00 H ATOM 703 HB3 SER A 51 16.852 14.312 19.241 1.00 0.00 H ATOM 704 HG SER A 51 17.006 13.055 17.297 1.00 0.00 H ATOM 705 H SER A 51 14.624 15.415 16.535 1.00 0.00 H ATOM 706 N VAL A 52 17.233 17.238 16.943 1.00 33.17 N ATOM 707 CA VAL A 52 18.378 18.113 16.677 1.00 26.18 C ATOM 708 C VAL A 52 17.994 19.584 16.852 1.00 25.14 C ATOM 709 O VAL A 52 16.822 19.936 16.824 1.00 22.80 O ATOM 710 CB VAL A 52 18.968 17.875 15.268 1.00 23.90 C ATOM 711 CG1 VAL A 52 19.443 16.446 15.140 1.00 27.83 C ATOM 712 CG2 VAL A 52 17.956 18.187 14.200 1.00 22.89 C ATOM 713 HA VAL A 52 19.149 17.864 17.406 1.00 0.00 H ATOM 714 HB VAL A 52 19.817 18.545 15.134 1.00 0.00 H ATOM 715 HG11 VAL A 52 20.211 16.251 15.888 1.00 0.00 H ATOM 716 HG12 VAL A 52 18.603 15.770 15.296 1.00 0.00 H ATOM 717 HG13 VAL A 52 19.857 16.290 14.144 1.00 0.00 H ATOM 718 HG21 VAL A 52 17.085 17.544 14.328 1.00 0.00 H ATOM 719 HG22 VAL A 52 17.654 19.231 14.281 1.00 0.00 H ATOM 720 HG23 VAL A 52 18.398 18.011 13.220 1.00 0.00 H ATOM 721 H VAL A 52 16.627 16.941 16.152 1.00 0.00 H ATOM 722 N SER A 53 18.988 20.450 16.961 1.00 26.02 N ATOM 723 CA SER A 53 18.737 21.876 17.171 1.00 29.83 C ATOM 724 C SER A 53 18.458 22.745 15.944 1.00 27.46 C ATOM 725 O SER A 53 18.877 22.411 14.830 1.00 29.13 O ATOM 726 CB SER A 53 19.881 22.476 17.987 1.00 30.34 C ATOM 727 OG SER A 53 20.008 21.781 19.222 1.00 34.72 O ATOM 728 HA SER A 53 17.785 21.894 17.702 1.00 0.00 H ATOM 729 HB2 SER A 53 19.673 23.528 18.183 1.00 0.00 H ATOM 730 HB3 SER A 53 20.811 22.389 17.425 1.00 0.00 H ATOM 731 HG SER A 53 20.750 22.174 19.746 1.00 0.00 H ATOM 732 H SER A 53 19.969 20.110 16.896 1.00 0.00 H ATOM 733 N SER A 54 17.723 23.841 16.168 1.00 25.94 N ATOM 734 CA SER A 54 17.373 24.816 15.126 1.00 22.95 C ATOM 735 C SER A 54 18.659 25.457 14.636 1.00 21.18 C ATOM 736 O SER A 54 19.649 25.486 15.356 1.00 23.50 O ATOM 737 CB SER A 54 16.476 25.927 15.702 1.00 21.09 C ATOM 738 OG SER A 54 15.419 25.407 16.493 1.00 28.98 O ATOM 739 HA SER A 54 16.841 24.308 14.321 1.00 0.00 H ATOM 740 HB2 SER A 54 16.049 26.497 14.877 1.00 0.00 H ATOM 741 HB3 SER A 54 17.086 26.586 16.320 1.00 0.00 H ATOM 742 HG SER A 54 14.871 26.154 16.841 1.00 0.00 H ATOM 743 H SER A 54 17.380 24.012 17.135 1.00 0.00 H ATOM 744 N PRO A 55 18.645 26.064 13.442 1.00 22.78 N ATOM 745 CA PRO A 55 17.526 26.233 12.505 1.00 19.66 C ATOM 746 C PRO A 55 17.355 24.990 11.651 1.00 17.54 C ATOM 747 O PRO A 55 18.281 24.207 11.511 1.00 18.44 O ATOM 748 CB PRO A 55 17.989 27.403 11.615 1.00 21.67 C ATOM 749 CG PRO A 55 19.217 27.963 12.304 1.00 22.56 C ATOM 750 CD PRO A 55 19.833 26.762 12.942 1.00 22.78 C ATOM 751 HA PRO A 55 16.575 26.408 13.008 1.00 0.00 H ATOM 752 HD3 PRO A 55 20.376 26.157 12.215 1.00 0.00 H ATOM 753 HD2 PRO A 55 20.504 27.041 13.754 1.00 0.00 H ATOM 754 HG3 PRO A 55 18.940 28.705 13.053 1.00 0.00 H ATOM 755 HG2 PRO A 55 19.898 28.414 11.582 1.00 0.00 H ATOM 756 HB2 PRO A 55 18.240 27.048 10.615 1.00 0.00 H ATOM 757 HB3 PRO A 55 17.210 28.162 11.545 1.00 0.00 H ATOM 758 N TYR A 56 16.188 24.869 11.035 1.00 18.33 N ATOM 759 CA TYR A 56 15.859 23.749 10.175 1.00 12.15 C ATOM 760 C TYR A 56 15.642 24.255 8.770 1.00 11.56 C ATOM 761 O TYR A 56 15.248 25.407 8.585 1.00 13.11 O ATOM 762 CB TYR A 56 14.589 23.083 10.661 1.00 6.37 C ATOM 763 CG TYR A 56 14.658 22.635 12.092 1.00 5.93 C ATOM 764 CD1 TYR A 56 15.672 21.793 12.530 1.00 11.08 C ATOM 765 CD2 TYR A 56 13.713 23.057 13.010 1.00 2.17 C ATOM 766 CE1 TYR A 56 15.742 21.383 13.856 1.00 9.77 C ATOM 767 CE2 TYR A 56 13.769 22.660 14.327 1.00 8.26 C ATOM 768 CZ TYR A 56 14.785 21.826 14.745 1.00 11.79 C ATOM 769 OH TYR A 56 14.833 21.459 16.060 1.00 16.09 O ATOM 770 HA TYR A 56 16.676 23.027 10.193 1.00 0.00 H ATOM 771 HB3 TYR A 56 14.395 22.212 10.035 1.00 0.00 H ATOM 772 HB2 TYR A 56 13.767 23.792 10.560 1.00 0.00 H ATOM 773 HD2 TYR A 56 12.909 23.717 12.684 1.00 0.00 H ATOM 774 HE2 TYR A 56 13.015 23.003 15.035 1.00 0.00 H ATOM 775 HE1 TYR A 56 16.542 20.721 14.189 1.00 0.00 H ATOM 776 HD1 TYR A 56 16.425 21.448 11.822 1.00 0.00 H ATOM 777 HH TYR A 56 15.611 20.864 16.207 1.00 0.00 H ATOM 778 H TYR A 56 15.474 25.612 11.175 1.00 0.00 H ATOM 779 N TYR A 57 15.956 23.414 7.787 1.00 13.46 N ATOM 780 CA TYR A 57 15.800 23.747 6.363 1.00 16.65 C ATOM 781 C TYR A 57 15.059 22.618 5.697 1.00 15.78 C ATOM 782 O TYR A 57 15.290 21.453 6.033 1.00 17.12 O ATOM 783 CB TYR A 57 17.163 23.929 5.678 1.00 14.45 C ATOM 784 CG TYR A 57 17.955 25.037 6.303 1.00 16.92 C ATOM 785 CD1 TYR A 57 18.688 24.823 7.469 1.00 16.30 C ATOM 786 CD2 TYR A 57 17.897 26.318 5.788 1.00 19.69 C ATOM 787 CE1 TYR A 57 19.332 25.856 8.106 1.00 20.35 C ATOM 788 CE2 TYR A 57 18.542 27.372 6.423 1.00 23.01 C ATOM 789 CZ TYR A 57 19.258 27.130 7.576 1.00 21.81 C ATOM 790 OH TYR A 57 19.936 28.164 8.160 1.00 24.52 O ATOM 791 HA TYR A 57 15.252 24.685 6.275 1.00 0.00 H ATOM 792 HB3 TYR A 57 17.001 24.161 4.625 1.00 0.00 H ATOM 793 HB2 TYR A 57 17.727 23.000 5.762 1.00 0.00 H ATOM 794 HD2 TYR A 57 17.338 26.504 4.871 1.00 0.00 H ATOM 795 HE2 TYR A 57 18.483 28.380 6.014 1.00 0.00 H ATOM 796 HE1 TYR A 57 19.896 25.672 9.021 1.00 0.00 H ATOM 797 HD1 TYR A 57 18.752 23.817 7.883 1.00 0.00 H ATOM 798 HH TYR A 57 20.398 27.837 8.972 1.00 0.00 H ATOM 799 H TYR A 57 16.330 22.476 8.038 1.00 0.00 H ATOM 800 N GLU A 58 14.134 22.952 4.802 1.00 18.43 N ATOM 801 CA GLU A 58 13.380 21.925 4.094 1.00 17.65 C ATOM 802 C GLU A 58 13.896 21.784 2.678 1.00 14.40 C ATOM 803 O GLU A 58 14.140 22.773 1.977 1.00 14.03 O ATOM 804 CB GLU A 58 11.872 22.203 4.113 1.00 19.08 C ATOM 805 CG GLU A 58 11.375 23.304 3.196 1.00 15.37 C ATOM 806 CD GLU A 58 9.870 23.335 3.141 1.00 9.76 C ATOM 807 OE1 GLU A 58 9.266 23.942 4.033 1.00 12.40 O ATOM 808 OE2 GLU A 58 9.281 22.746 2.220 1.00 11.78 O ATOM 809 HA GLU A 58 13.529 20.980 4.616 1.00 0.00 H ATOM 810 HB2 GLU A 58 11.362 21.282 3.832 1.00 0.00 H ATOM 811 HB3 GLU A 58 11.597 22.472 5.133 1.00 0.00 H ATOM 812 HG2 GLU A 58 11.737 24.264 3.565 1.00 0.00 H ATOM 813 HG3 GLU A 58 11.764 23.132 2.192 1.00 0.00 H ATOM 814 H GLU A 58 13.947 23.956 4.605 1.00 0.00 H ATOM 815 N TRP A 59 14.088 20.535 2.280 1.00 14.87 N ATOM 816 CA TRP A 59 14.600 20.186 0.959 1.00 15.41 C ATOM 817 C TRP A 59 13.743 19.044 0.419 1.00 16.68 C ATOM 818 O TRP A 59 13.417 18.098 1.148 1.00 16.15 O ATOM 819 CB TRP A 59 16.080 19.769 1.076 1.00 15.10 C ATOM 820 CG TRP A 59 16.704 19.228 -0.178 1.00 14.79 C ATOM 821 CD1 TRP A 59 17.096 17.948 -0.394 1.00 16.97 C ATOM 822 CD2 TRP A 59 17.023 19.956 -1.373 1.00 19.29 C ATOM 823 NE1 TRP A 59 17.640 17.822 -1.645 1.00 20.71 N ATOM 824 CE2 TRP A 59 17.610 19.036 -2.274 1.00 19.09 C ATOM 825 CE3 TRP A 59 16.879 21.289 -1.776 1.00 18.48 C ATOM 826 CZ2 TRP A 59 18.050 19.404 -3.547 1.00 17.59 C ATOM 827 CZ3 TRP A 59 17.321 21.659 -3.051 1.00 17.26 C ATOM 828 CH2 TRP A 59 17.899 20.715 -3.917 1.00 18.80 C ATOM 829 HA TRP A 59 14.548 21.034 0.276 1.00 0.00 H ATOM 830 HB2 TRP A 59 16.652 20.644 1.384 1.00 0.00 H ATOM 831 HB3 TRP A 59 16.152 19.000 1.845 1.00 0.00 H ATOM 832 HE1 TRP A 59 18.016 16.942 -2.052 1.00 0.00 H ATOM 833 HD1 TRP A 59 16.993 17.135 0.325 1.00 0.00 H ATOM 834 HZ2 TRP A 59 18.498 18.675 -4.222 1.00 0.00 H ATOM 835 HH2 TRP A 59 18.234 21.032 -4.904 1.00 0.00 H ATOM 836 HZ3 TRP A 59 17.216 22.694 -3.377 1.00 0.00 H ATOM 837 HE3 TRP A 59 16.431 22.025 -1.109 1.00 0.00 H ATOM 838 H TRP A 59 13.863 19.765 2.942 1.00 0.00 H ATOM 839 N PRO A 60 13.305 19.147 -0.843 1.00 15.20 N ATOM 840 CA PRO A 60 12.475 18.096 -1.434 1.00 15.66 C ATOM 841 C PRO A 60 13.176 16.755 -1.683 1.00 17.09 C ATOM 842 O PRO A 60 14.331 16.699 -2.115 1.00 12.22 O ATOM 843 CB PRO A 60 12.026 18.711 -2.765 1.00 12.88 C ATOM 844 CG PRO A 60 12.165 20.160 -2.559 1.00 11.28 C ATOM 845 CD PRO A 60 13.420 20.291 -1.761 1.00 11.93 C ATOM 846 HA PRO A 60 11.673 17.828 -0.747 1.00 0.00 H ATOM 847 HD3 PRO A 60 14.304 20.208 -2.393 1.00 0.00 H ATOM 848 HD2 PRO A 60 13.450 21.236 -1.218 1.00 0.00 H ATOM 849 HG3 PRO A 60 11.312 20.557 -2.009 1.00 0.00 H ATOM 850 HG2 PRO A 60 12.255 20.681 -3.512 1.00 0.00 H ATOM 851 HB2 PRO A 60 12.664 18.374 -3.582 1.00 0.00 H ATOM 852 HB3 PRO A 60 10.991 18.449 -2.982 1.00 0.00 H ATOM 853 N ILE A 61 12.471 15.679 -1.357 1.00 15.72 N ATOM 854 CA ILE A 61 12.957 14.331 -1.618 1.00 13.49 C ATOM 855 C ILE A 61 11.942 13.799 -2.637 1.00 13.24 C ATOM 856 O ILE A 61 10.725 13.948 -2.454 1.00 9.43 O ATOM 857 CB ILE A 61 13.041 13.460 -0.321 1.00 12.37 C ATOM 858 CG1 ILE A 61 13.571 12.066 -0.650 1.00 9.30 C ATOM 859 CG2 ILE A 61 11.720 13.419 0.401 1.00 6.73 C ATOM 860 CD1 ILE A 61 13.922 11.251 0.563 1.00 9.15 C ATOM 861 HA ILE A 61 13.981 14.307 -1.992 1.00 0.00 H ATOM 862 HB ILE A 61 13.749 13.925 0.365 1.00 0.00 H ATOM 863 HG12 ILE A 61 12.807 11.532 -1.215 1.00 0.00 H ATOM 864 HG13 ILE A 61 14.466 12.174 -1.263 1.00 0.00 H ATOM 865 HD11 ILE A 61 14.694 11.766 1.134 1.00 0.00 H ATOM 866 HD12 ILE A 61 13.034 11.123 1.183 1.00 0.00 H ATOM 867 HD13 ILE A 61 14.291 10.275 0.249 1.00 0.00 H ATOM 868 HG21 ILE A 61 11.429 14.431 0.682 1.00 0.00 H ATOM 869 HG22 ILE A 61 10.962 12.991 -0.255 1.00 0.00 H ATOM 870 HG23 ILE A 61 11.816 12.805 1.297 1.00 0.00 H ATOM 871 H ILE A 61 11.544 15.802 -0.902 1.00 0.00 H ATOM 872 N LEU A 62 12.455 13.292 -3.761 1.00 15.98 N ATOM 873 CA LEU A 62 11.612 12.777 -4.837 1.00 15.83 C ATOM 874 C LEU A 62 11.433 11.262 -4.844 1.00 16.09 C ATOM 875 O LEU A 62 12.397 10.501 -4.704 1.00 13.79 O ATOM 876 CB LEU A 62 12.133 13.260 -6.199 1.00 13.32 C ATOM 877 CG LEU A 62 12.251 14.789 -6.322 1.00 17.66 C ATOM 878 CD1 LEU A 62 12.887 15.165 -7.649 1.00 18.40 C ATOM 879 CD2 LEU A 62 10.888 15.438 -6.185 1.00 15.86 C ATOM 880 HA LEU A 62 10.619 13.182 -4.645 1.00 0.00 H ATOM 881 HB2 LEU A 62 13.120 12.826 -6.361 1.00 0.00 H ATOM 882 HB3 LEU A 62 11.450 12.906 -6.972 1.00 0.00 H ATOM 883 HG LEU A 62 12.889 15.153 -5.517 1.00 0.00 H ATOM 884 HD21 LEU A 62 10.230 15.068 -6.971 1.00 0.00 H ATOM 885 HD22 LEU A 62 10.466 15.192 -5.211 1.00 0.00 H ATOM 886 HD23 LEU A 62 10.991 16.519 -6.275 1.00 0.00 H ATOM 887 HD11 LEU A 62 13.882 14.725 -7.711 1.00 0.00 H ATOM 888 HD12 LEU A 62 12.271 14.789 -8.465 1.00 0.00 H ATOM 889 HD13 LEU A 62 12.963 16.250 -7.720 1.00 0.00 H ATOM 890 H LEU A 62 13.488 13.263 -3.874 1.00 0.00 H ATOM 891 N SER A 63 10.187 10.848 -5.037 1.00 15.37 N ATOM 892 CA SER A 63 9.808 9.441 -5.095 1.00 22.00 C ATOM 893 C SER A 63 10.508 8.686 -6.231 1.00 24.46 C ATOM 894 O SER A 63 10.506 7.455 -6.251 1.00 24.84 O ATOM 895 CB SER A 63 8.297 9.320 -5.281 1.00 23.38 C ATOM 896 OG SER A 63 7.877 10.015 -6.448 1.00 31.55 O ATOM 897 HA SER A 63 10.120 8.991 -4.153 1.00 0.00 H ATOM 898 HB2 SER A 63 7.794 9.743 -4.412 1.00 0.00 H ATOM 899 HB3 SER A 63 8.031 8.267 -5.376 1.00 0.00 H ATOM 900 HG SER A 63 8.114 10.973 -6.364 1.00 0.00 H ATOM 901 H SER A 63 9.442 11.564 -5.153 1.00 0.00 H ATOM 902 N SER A 64 11.050 9.431 -7.196 1.00 26.71 N ATOM 903 CA SER A 64 11.749 8.851 -8.335 1.00 25.72 C ATOM 904 C SER A 64 13.210 8.565 -8.039 1.00 27.39 C ATOM 905 O SER A 64 13.919 8.009 -8.879 1.00 29.29 O ATOM 906 CB SER A 64 11.643 9.777 -9.538 1.00 26.81 C ATOM 907 OG SER A 64 11.907 11.115 -9.174 1.00 29.06 O ATOM 908 HA SER A 64 11.268 7.897 -8.552 1.00 0.00 H ATOM 909 HB2 SER A 64 10.636 9.712 -9.950 1.00 0.00 H ATOM 910 HB3 SER A 64 12.364 9.464 -10.293 1.00 0.00 H ATOM 911 HG SER A 64 11.831 11.694 -9.973 1.00 0.00 H ATOM 912 H SER A 64 10.970 10.466 -7.133 1.00 0.00 H ATOM 913 N GLY A 65 13.667 8.997 -6.867 1.00 27.56 N ATOM 914 CA GLY A 65 15.045 8.766 -6.475 1.00 30.10 C ATOM 915 C GLY A 65 16.052 9.749 -7.025 1.00 28.36 C ATOM 916 O GLY A 65 17.212 9.735 -6.622 1.00 28.43 O ATOM 917 HA3 GLY A 65 15.328 7.770 -6.814 1.00 0.00 H ATOM 918 HA2 GLY A 65 15.096 8.806 -5.387 1.00 0.00 H ATOM 919 H GLY A 65 13.029 9.507 -6.223 1.00 0.00 H ATOM 920 N ASP A 66 15.633 10.572 -7.979 1.00 28.34 N ATOM 921 CA ASP A 66 16.521 11.580 -8.543 1.00 26.25 C ATOM 922 C ASP A 66 16.563 12.724 -7.546 1.00 23.83 C ATOM 923 O ASP A 66 15.600 12.922 -6.806 1.00 21.25 O ATOM 924 CB ASP A 66 15.976 12.101 -9.875 1.00 32.67 C ATOM 925 CG ASP A 66 15.784 11.002 -10.901 1.00 37.02 C ATOM 926 OD1 ASP A 66 16.519 9.987 -10.848 1.00 36.75 O ATOM 927 OD2 ASP A 66 14.886 11.154 -11.757 1.00 39.10 O ATOM 928 HA ASP A 66 17.509 11.157 -8.726 1.00 0.00 H ATOM 929 HB2 ASP A 66 15.014 12.581 -9.694 1.00 0.00 H ATOM 930 HB3 ASP A 66 16.677 12.833 -10.276 1.00 0.00 H ATOM 931 H ASP A 66 14.657 10.496 -8.329 1.00 0.00 H ATOM 932 N VAL A 67 17.684 13.441 -7.503 1.00 21.82 N ATOM 933 CA VAL A 67 17.852 14.591 -6.608 1.00 19.63 C ATOM 934 C VAL A 67 17.104 15.802 -7.174 1.00 21.82 C ATOM 935 O VAL A 67 17.172 16.065 -8.374 1.00 21.80 O ATOM 936 CB VAL A 67 19.343 14.969 -6.439 1.00 17.67 C ATOM 937 CG1 VAL A 67 19.478 16.291 -5.706 1.00 16.53 C ATOM 938 CG2 VAL A 67 20.064 13.875 -5.674 1.00 22.74 C ATOM 939 HA VAL A 67 17.449 14.311 -5.635 1.00 0.00 H ATOM 940 HB VAL A 67 19.792 15.075 -7.426 1.00 0.00 H ATOM 941 HG11 VAL A 67 18.977 17.074 -6.275 1.00 0.00 H ATOM 942 HG12 VAL A 67 19.020 16.207 -4.720 1.00 0.00 H ATOM 943 HG13 VAL A 67 20.534 16.539 -5.597 1.00 0.00 H ATOM 944 HG21 VAL A 67 19.606 13.758 -4.692 1.00 0.00 H ATOM 945 HG22 VAL A 67 19.988 12.938 -6.225 1.00 0.00 H ATOM 946 HG23 VAL A 67 21.113 14.146 -5.558 1.00 0.00 H ATOM 947 H VAL A 67 18.471 13.175 -8.128 1.00 0.00 H ATOM 948 N TYR A 68 16.407 16.535 -6.309 1.00 19.62 N ATOM 949 CA TYR A 68 15.660 17.706 -6.742 1.00 20.40 C ATOM 950 C TYR A 68 16.570 18.692 -7.484 1.00 22.71 C ATOM 951 O TYR A 68 17.655 19.024 -7.001 1.00 26.26 O ATOM 952 CB TYR A 68 15.000 18.390 -5.542 1.00 19.58 C ATOM 953 CG TYR A 68 14.118 19.553 -5.932 1.00 19.86 C ATOM 954 CD1 TYR A 68 12.920 19.338 -6.620 1.00 17.42 C ATOM 955 CD2 TYR A 68 14.497 20.869 -5.648 1.00 15.49 C ATOM 956 CE1 TYR A 68 12.121 20.400 -7.023 1.00 18.25 C ATOM 957 CE2 TYR A 68 13.710 21.936 -6.043 1.00 17.74 C ATOM 958 CZ TYR A 68 12.521 21.693 -6.737 1.00 20.52 C ATOM 959 OH TYR A 68 11.763 22.743 -7.180 1.00 13.96 O ATOM 960 HA TYR A 68 14.881 17.378 -7.430 1.00 0.00 H ATOM 961 HB3 TYR A 68 15.783 18.756 -4.877 1.00 0.00 H ATOM 962 HB2 TYR A 68 14.392 17.655 -5.015 1.00 0.00 H ATOM 963 HD2 TYR A 68 15.425 21.056 -5.108 1.00 0.00 H ATOM 964 HE2 TYR A 68 14.014 22.958 -5.815 1.00 0.00 H ATOM 965 HE1 TYR A 68 11.189 20.217 -7.558 1.00 0.00 H ATOM 966 HD1 TYR A 68 12.607 18.318 -6.844 1.00 0.00 H ATOM 967 HH TYR A 68 10.962 22.396 -7.647 1.00 0.00 H ATOM 968 H TYR A 68 16.396 16.266 -5.305 1.00 0.00 H ATOM 969 N SER A 69 16.114 19.184 -8.636 1.00 23.26 N ATOM 970 CA SER A 69 16.909 20.121 -9.427 1.00 25.40 C ATOM 971 C SER A 69 16.135 21.318 -9.974 1.00 24.32 C ATOM 972 O SER A 69 16.517 21.887 -10.998 1.00 24.25 O ATOM 973 CB SER A 69 17.609 19.387 -10.577 1.00 27.85 C ATOM 974 OG SER A 69 16.663 18.710 -11.393 1.00 30.98 O ATOM 975 HA SER A 69 17.639 20.533 -8.731 1.00 0.00 H ATOM 976 HB2 SER A 69 18.310 18.661 -10.164 1.00 0.00 H ATOM 977 HB3 SER A 69 18.153 20.110 -11.185 1.00 0.00 H ATOM 978 HG SER A 69 17.136 18.244 -12.127 1.00 0.00 H ATOM 979 H SER A 69 15.175 18.896 -8.978 1.00 0.00 H ATOM 980 N GLY A 70 15.020 21.665 -9.339 1.00 20.14 N ATOM 981 CA GLY A 70 14.276 22.821 -9.794 1.00 22.80 C ATOM 982 C GLY A 70 12.846 22.698 -10.277 1.00 24.84 C ATOM 983 O GLY A 70 12.153 23.719 -10.391 1.00 29.68 O ATOM 984 HA3 GLY A 70 14.845 23.248 -10.620 1.00 0.00 H ATOM 985 HA2 GLY A 70 14.261 23.525 -8.962 1.00 0.00 H ATOM 986 H GLY A 70 14.686 21.112 -8.524 1.00 0.00 H ATOM 987 N GLY A 71 12.384 21.495 -10.586 1.00 26.12 N ATOM 988 CA GLY A 71 11.016 21.368 -11.067 1.00 24.33 C ATOM 989 C GLY A 71 9.976 21.335 -9.966 1.00 21.35 C ATOM 990 O GLY A 71 10.106 22.008 -8.945 1.00 21.02 O ATOM 991 HA3 GLY A 71 10.938 20.444 -11.640 1.00 0.00 H ATOM 992 HA2 GLY A 71 10.801 22.216 -11.717 1.00 0.00 H ATOM 993 H GLY A 71 12.989 20.655 -10.486 1.00 0.00 H ATOM 994 N SER A 72 8.917 20.566 -10.197 1.00 23.60 N ATOM 995 CA SER A 72 7.859 20.408 -9.217 1.00 22.46 C ATOM 996 C SER A 72 8.545 19.735 -8.039 1.00 20.15 C ATOM 997 O SER A 72 9.312 18.790 -8.221 1.00 22.84 O ATOM 998 CB SER A 72 6.748 19.518 -9.766 1.00 24.32 C ATOM 999 OG SER A 72 5.638 19.502 -8.884 1.00 36.69 O ATOM 1000 HA SER A 72 7.392 21.355 -8.948 1.00 0.00 H ATOM 1001 HB2 SER A 72 7.127 18.503 -9.883 1.00 0.00 H ATOM 1002 HB3 SER A 72 6.429 19.900 -10.736 1.00 0.00 H ATOM 1003 HG SER A 72 4.930 18.920 -9.258 1.00 0.00 H ATOM 1004 H SER A 72 8.845 20.064 -11.105 1.00 0.00 H ATOM 1005 N PRO A 73 8.316 20.238 -6.823 1.00 18.24 N ATOM 1006 CA PRO A 73 8.917 19.705 -5.602 1.00 15.58 C ATOM 1007 C PRO A 73 8.303 18.407 -5.090 1.00 16.86 C ATOM 1008 O PRO A 73 8.988 17.560 -4.514 1.00 16.62 O ATOM 1009 CB PRO A 73 8.702 20.844 -4.614 1.00 14.18 C ATOM 1010 CG PRO A 73 7.376 21.378 -5.021 1.00 5.44 C ATOM 1011 CD PRO A 73 7.447 21.396 -6.518 1.00 15.00 C ATOM 1012 HA PRO A 73 9.957 19.421 -5.764 1.00 0.00 H ATOM 1013 HD3 PRO A 73 6.458 21.271 -6.959 1.00 0.00 H ATOM 1014 HD2 PRO A 73 7.890 22.324 -6.879 1.00 0.00 H ATOM 1015 HG3 PRO A 73 7.223 22.382 -4.626 1.00 0.00 H ATOM 1016 HG2 PRO A 73 6.572 20.727 -4.677 1.00 0.00 H ATOM 1017 HB2 PRO A 73 8.681 20.477 -3.588 1.00 0.00 H ATOM 1018 HB3 PRO A 73 9.479 21.602 -4.711 1.00 0.00 H ATOM 1019 N GLY A 74 7.011 18.243 -5.328 1.00 15.99 N ATOM 1020 CA GLY A 74 6.342 17.061 -4.840 1.00 16.17 C ATOM 1021 C GLY A 74 5.851 17.373 -3.449 1.00 12.73 C ATOM 1022 O GLY A 74 6.012 18.499 -2.997 1.00 16.30 O ATOM 1023 HA3 GLY A 74 7.037 16.222 -4.812 1.00 0.00 H ATOM 1024 HA2 GLY A 74 5.501 16.813 -5.487 1.00 0.00 H ATOM 1025 H GLY A 74 6.482 18.961 -5.863 1.00 0.00 H ATOM 1026 N ALA A 75 5.305 16.378 -2.755 1.00 10.83 N ATOM 1027 CA ALA A 75 4.767 16.581 -1.415 1.00 10.10 C ATOM 1028 C ALA A 75 5.709 16.254 -0.267 1.00 10.52 C ATOM 1029 O ALA A 75 5.426 16.633 0.876 1.00 8.29 O ATOM 1030 CB ALA A 75 3.465 15.783 -1.257 1.00 8.15 C ATOM 1031 HA ALA A 75 4.595 17.655 -1.340 1.00 0.00 H ATOM 1032 HB1 ALA A 75 2.739 16.124 -1.995 1.00 0.00 H ATOM 1033 HB2 ALA A 75 3.669 14.723 -1.410 1.00 0.00 H ATOM 1034 HB3 ALA A 75 3.065 15.937 -0.255 1.00 0.00 H ATOM 1035 H ALA A 75 5.261 15.430 -3.180 1.00 0.00 H ATOM 1036 N ASP A 76 6.801 15.535 -0.554 1.00 11.09 N ATOM 1037 CA ASP A 76 7.757 15.102 0.480 1.00 5.21 C ATOM 1038 C ASP A 76 9.018 15.936 0.625 1.00 7.13 C ATOM 1039 O ASP A 76 9.604 16.382 -0.359 1.00 7.25 O ATOM 1040 CB ASP A 76 8.183 13.654 0.245 1.00 8.13 C ATOM 1041 CG ASP A 76 7.029 12.753 -0.109 1.00 9.58 C ATOM 1042 OD1 ASP A 76 5.957 12.850 0.513 1.00 11.62 O ATOM 1043 OD2 ASP A 76 7.190 11.945 -1.027 1.00 9.53 O ATOM 1044 HA ASP A 76 7.196 15.230 1.406 1.00 0.00 H ATOM 1045 HB2 ASP A 76 8.905 13.632 -0.571 1.00 0.00 H ATOM 1046 HB3 ASP A 76 8.652 13.277 1.154 1.00 0.00 H ATOM 1047 H ASP A 76 6.981 15.272 -1.544 1.00 0.00 H ATOM 1048 N ARG A 77 9.470 16.052 1.871 1.00 10.75 N ATOM 1049 CA ARG A 77 10.660 16.816 2.224 1.00 11.16 C ATOM 1050 C ARG A 77 11.535 16.146 3.281 1.00 9.59 C ATOM 1051 O ARG A 77 11.062 15.378 4.112 1.00 11.17 O ATOM 1052 CB ARG A 77 10.254 18.192 2.793 1.00 7.52 C ATOM 1053 CG ARG A 77 9.191 18.927 2.007 1.00 8.31 C ATOM 1054 CD ARG A 77 9.750 19.530 0.710 1.00 7.60 C ATOM 1055 NE ARG A 77 8.715 20.334 0.062 1.00 7.18 N ATOM 1056 CZ ARG A 77 8.010 19.955 -0.992 1.00 5.01 C ATOM 1057 NH1 ARG A 77 8.228 18.778 -1.541 1.00 9.66 N ATOM 1058 NH2 ARG A 77 7.078 20.755 -1.488 1.00 8.40 N ATOM 1059 HA ARG A 77 11.232 16.897 1.300 1.00 0.00 H ATOM 1060 HB2 ARG A 77 9.881 18.041 3.806 1.00 0.00 H ATOM 1061 HB3 ARG A 77 11.144 18.820 2.825 1.00 0.00 H ATOM 1062 HG2 ARG A 77 8.393 18.229 1.756 1.00 0.00 H ATOM 1063 HG3 ARG A 77 8.788 19.730 2.624 1.00 0.00 H ATOM 1064 HD2 ARG A 77 10.060 18.728 0.040 1.00 0.00 H ATOM 1065 HD3 ARG A 77 10.608 20.160 0.942 1.00 0.00 H ATOM 1066 HE ARG A 77 8.518 21.275 0.459 1.00 0.00 H ATOM 1067 HH12 ARG A 77 7.674 18.480 -2.369 1.00 0.00 H ATOM 1068 HH11 ARG A 77 8.954 18.147 -1.146 1.00 0.00 H ATOM 1069 HH22 ARG A 77 6.524 20.457 -2.316 1.00 0.00 H ATOM 1070 HH21 ARG A 77 6.900 21.681 -1.049 1.00 0.00 H ATOM 1071 H ARG A 77 8.947 15.573 2.632 1.00 0.00 H ATOM 1072 N VAL A 78 12.815 16.490 3.243 1.00 10.31 N ATOM 1073 CA VAL A 78 13.802 16.052 4.218 1.00 12.20 C ATOM 1074 C VAL A 78 14.140 17.351 4.961 1.00 12.32 C ATOM 1075 O VAL A 78 14.352 18.385 4.339 1.00 10.68 O ATOM 1076 CB VAL A 78 15.104 15.551 3.551 1.00 11.95 C ATOM 1077 CG1 VAL A 78 16.174 15.351 4.589 1.00 15.22 C ATOM 1078 CG2 VAL A 78 14.864 14.266 2.854 1.00 16.65 C ATOM 1079 HA VAL A 78 13.421 15.235 4.830 1.00 0.00 H ATOM 1080 HB VAL A 78 15.428 16.301 2.829 1.00 0.00 H ATOM 1081 HG11 VAL A 78 16.371 16.297 5.093 1.00 0.00 H ATOM 1082 HG12 VAL A 78 15.838 14.613 5.318 1.00 0.00 H ATOM 1083 HG13 VAL A 78 17.085 14.998 4.106 1.00 0.00 H ATOM 1084 HG21 VAL A 78 14.523 13.522 3.574 1.00 0.00 H ATOM 1085 HG22 VAL A 78 14.102 14.407 2.087 1.00 0.00 H ATOM 1086 HG23 VAL A 78 15.790 13.927 2.390 1.00 0.00 H ATOM 1087 H VAL A 78 13.132 17.110 2.470 1.00 0.00 H ATOM 1088 N VAL A 79 14.124 17.316 6.282 1.00 12.26 N ATOM 1089 CA VAL A 79 14.451 18.507 7.049 1.00 13.82 C ATOM 1090 C VAL A 79 15.756 18.265 7.784 1.00 10.09 C ATOM 1091 O VAL A 79 15.899 17.290 8.512 1.00 11.22 O ATOM 1092 CB VAL A 79 13.290 18.932 8.022 1.00 12.95 C ATOM 1093 CG1 VAL A 79 13.713 20.097 8.889 1.00 10.99 C ATOM 1094 CG2 VAL A 79 12.062 19.368 7.206 1.00 13.32 C ATOM 1095 HA VAL A 79 14.573 19.348 6.366 1.00 0.00 H ATOM 1096 HB VAL A 79 13.051 18.075 8.652 1.00 0.00 H ATOM 1097 HG11 VAL A 79 14.581 19.810 9.482 1.00 0.00 H ATOM 1098 HG12 VAL A 79 13.969 20.946 8.255 1.00 0.00 H ATOM 1099 HG13 VAL A 79 12.893 20.371 9.552 1.00 0.00 H ATOM 1100 HG21 VAL A 79 12.330 20.213 6.572 1.00 0.00 H ATOM 1101 HG22 VAL A 79 11.727 18.538 6.584 1.00 0.00 H ATOM 1102 HG23 VAL A 79 11.261 19.661 7.885 1.00 0.00 H ATOM 1103 H VAL A 79 13.877 16.434 6.774 1.00 0.00 H ATOM 1104 N PHE A 80 16.749 19.086 7.476 1.00 12.20 N ATOM 1105 CA PHE A 80 18.056 18.985 8.118 1.00 17.07 C ATOM 1106 C PHE A 80 18.367 20.322 8.787 1.00 16.93 C ATOM 1107 O PHE A 80 17.714 21.332 8.477 1.00 19.28 O ATOM 1108 CB PHE A 80 19.138 18.620 7.099 1.00 11.03 C ATOM 1109 CG PHE A 80 19.253 19.585 5.970 1.00 13.28 C ATOM 1110 CD1 PHE A 80 20.067 20.707 6.081 1.00 12.81 C ATOM 1111 CD2 PHE A 80 18.540 19.383 4.794 1.00 11.01 C ATOM 1112 CE1 PHE A 80 20.168 21.614 5.049 1.00 12.62 C ATOM 1113 CE2 PHE A 80 18.633 20.283 3.751 1.00 12.96 C ATOM 1114 CZ PHE A 80 19.451 21.407 3.879 1.00 12.98 C ATOM 1115 HA PHE A 80 18.039 18.193 8.867 1.00 0.00 H ATOM 1116 HB2 PHE A 80 20.097 18.580 7.616 1.00 0.00 H ATOM 1117 HB3 PHE A 80 18.906 17.637 6.689 1.00 0.00 H ATOM 1118 HD2 PHE A 80 17.901 18.505 4.694 1.00 0.00 H ATOM 1119 HE2 PHE A 80 18.071 20.117 2.832 1.00 0.00 H ATOM 1120 HZ PHE A 80 19.527 22.122 3.060 1.00 0.00 H ATOM 1121 HE1 PHE A 80 20.808 22.490 5.151 1.00 0.00 H ATOM 1122 HD1 PHE A 80 20.633 20.871 6.998 1.00 0.00 H ATOM 1123 H PHE A 80 16.593 19.822 6.758 1.00 0.00 H ATOM 1124 N ASN A 81 19.315 20.330 9.727 1.00 19.30 N ATOM 1125 CA ASN A 81 19.672 21.565 10.415 1.00 14.25 C ATOM 1126 C ASN A 81 20.982 22.171 9.942 1.00 17.23 C ATOM 1127 O ASN A 81 21.649 21.639 9.042 1.00 15.63 O ATOM 1128 CB ASN A 81 19.650 21.382 11.932 1.00 12.17 C ATOM 1129 CG ASN A 81 20.797 20.536 12.458 1.00 11.58 C ATOM 1130 OD1 ASN A 81 21.768 20.242 11.750 1.00 11.03 O ATOM 1131 ND2 ASN A 81 20.703 20.165 13.736 1.00 14.45 N ATOM 1132 HA ASN A 81 18.903 22.289 10.148 1.00 0.00 H ATOM 1133 HB2 ASN A 81 19.704 22.365 12.399 1.00 0.00 H ATOM 1134 HB3 ASN A 81 18.712 20.901 12.208 1.00 0.00 H ATOM 1135 HD22 ASN A 81 19.869 20.434 14.295 1.00 0.00 H ATOM 1136 HD21 ASN A 81 21.464 19.607 14.173 1.00 0.00 H ATOM 1137 H ASN A 81 19.804 19.445 9.971 1.00 0.00 H ATOM 1138 N GLU A 82 21.341 23.293 10.551 1.00 20.06 N ATOM 1139 CA GLU A 82 22.559 24.031 10.233 1.00 20.59 C ATOM 1140 C GLU A 82 23.816 23.167 10.237 1.00 25.07 C ATOM 1141 O GLU A 82 24.774 23.451 9.505 1.00 25.96 O ATOM 1142 CB GLU A 82 22.743 25.150 11.256 1.00 28.63 C ATOM 1143 CG GLU A 82 23.688 26.259 10.818 1.00 35.49 C ATOM 1144 CD GLU A 82 23.046 27.204 9.816 1.00 39.54 C ATOM 1145 OE1 GLU A 82 21.973 27.753 10.136 1.00 46.71 O ATOM 1146 OE2 GLU A 82 23.612 27.410 8.720 1.00 39.55 O ATOM 1147 HA GLU A 82 22.434 24.417 9.221 1.00 0.00 H ATOM 1148 HB2 GLU A 82 21.767 25.593 11.455 1.00 0.00 H ATOM 1149 HB3 GLU A 82 23.135 24.711 12.173 1.00 0.00 H ATOM 1150 HG2 GLU A 82 23.988 26.831 11.696 1.00 0.00 H ATOM 1151 HG3 GLU A 82 24.569 25.809 10.360 1.00 0.00 H ATOM 1152 H GLU A 82 20.720 23.668 11.296 1.00 0.00 H ATOM 1153 N ASN A 83 23.814 22.122 11.063 1.00 25.11 N ATOM 1154 CA ASN A 83 24.967 21.234 11.183 1.00 27.06 C ATOM 1155 C ASN A 83 24.975 19.995 10.308 1.00 26.58 C ATOM 1156 O ASN A 83 25.850 19.148 10.455 1.00 23.33 O ATOM 1157 CB ASN A 83 25.150 20.811 12.631 1.00 32.33 C ATOM 1158 CG ASN A 83 25.528 21.966 13.528 1.00 38.90 C ATOM 1159 OD1 ASN A 83 25.011 22.085 14.641 1.00 43.87 O ATOM 1160 ND2 ASN A 83 26.431 22.832 13.053 1.00 36.45 N ATOM 1161 HA ASN A 83 25.795 21.841 10.817 1.00 0.00 H ATOM 1162 HB2 ASN A 83 24.215 20.380 12.990 1.00 0.00 H ATOM 1163 HB3 ASN A 83 25.937 20.059 12.679 1.00 0.00 H ATOM 1164 HD22 ASN A 83 26.840 22.690 12.107 1.00 0.00 H ATOM 1165 HD21 ASN A 83 26.724 23.647 13.629 1.00 0.00 H ATOM 1166 H ASN A 83 22.968 21.933 11.638 1.00 0.00 H ATOM 1167 N ASN A 84 24.040 19.912 9.372 1.00 22.40 N ATOM 1168 CA ASN A 84 23.941 18.751 8.499 1.00 20.87 C ATOM 1169 C ASN A 84 23.538 17.512 9.293 1.00 22.25 C ATOM 1170 O ASN A 84 24.146 16.453 9.165 1.00 20.58 O ATOM 1171 CB ASN A 84 25.256 18.487 7.795 1.00 17.61 C ATOM 1172 CG ASN A 84 25.112 17.517 6.665 1.00 16.98 C ATOM 1173 OD1 ASN A 84 24.013 17.294 6.171 1.00 9.84 O ATOM 1174 ND2 ASN A 84 26.237 16.955 6.214 1.00 21.29 N ATOM 1175 HA ASN A 84 23.176 18.966 7.753 1.00 0.00 H ATOM 1176 HB2 ASN A 84 25.638 19.429 7.402 1.00 0.00 H ATOM 1177 HB3 ASN A 84 25.965 18.082 8.517 1.00 0.00 H ATOM 1178 HD22 ASN A 84 27.147 17.176 6.667 1.00 0.00 H ATOM 1179 HD21 ASN A 84 26.203 16.296 5.410 1.00 0.00 H ATOM 1180 H ASN A 84 23.363 20.693 9.259 1.00 0.00 H ATOM 1181 N GLN A 85 22.564 17.692 10.177 1.00 21.69 N ATOM 1182 CA GLN A 85 22.032 16.611 10.989 1.00 21.52 C ATOM 1183 C GLN A 85 20.590 16.464 10.554 1.00 22.22 C ATOM 1184 O GLN A 85 19.888 17.472 10.415 1.00 23.63 O ATOM 1185 CB GLN A 85 22.064 16.980 12.468 1.00 24.76 C ATOM 1186 CG GLN A 85 23.450 17.212 13.030 1.00 27.45 C ATOM 1187 CD GLN A 85 23.401 17.553 14.496 1.00 29.14 C ATOM 1188 OE1 GLN A 85 22.926 18.623 14.878 1.00 36.26 O ATOM 1189 NE2 GLN A 85 23.850 16.631 15.334 1.00 31.57 N ATOM 1190 HA GLN A 85 22.613 15.698 10.862 1.00 0.00 H ATOM 1191 HB2 GLN A 85 21.485 17.893 12.603 1.00 0.00 H ATOM 1192 HB3 GLN A 85 21.600 16.170 13.031 1.00 0.00 H ATOM 1193 HG2 GLN A 85 24.043 16.307 12.896 1.00 0.00 H ATOM 1194 HG3 GLN A 85 23.918 18.035 12.490 1.00 0.00 H ATOM 1195 HE22 GLN A 85 24.243 15.741 14.966 1.00 0.00 H ATOM 1196 HE21 GLN A 85 23.809 16.797 16.360 1.00 0.00 H ATOM 1197 H GLN A 85 22.166 18.646 10.293 1.00 0.00 H ATOM 1198 N LEU A 86 20.150 15.231 10.324 1.00 16.11 N ATOM 1199 CA LEU A 86 18.785 14.990 9.899 1.00 16.08 C ATOM 1200 C LEU A 86 17.814 15.245 11.040 1.00 14.78 C ATOM 1201 O LEU A 86 17.985 14.718 12.128 1.00 13.79 O ATOM 1202 CB LEU A 86 18.627 13.555 9.375 1.00 17.22 C ATOM 1203 CG LEU A 86 17.218 13.085 8.982 1.00 17.14 C ATOM 1204 CD1 LEU A 86 16.747 13.824 7.747 1.00 15.06 C ATOM 1205 CD2 LEU A 86 17.201 11.576 8.751 1.00 14.77 C ATOM 1206 HA LEU A 86 18.555 15.682 9.089 1.00 0.00 H ATOM 1207 HB2 LEU A 86 19.259 13.460 8.492 1.00 0.00 H ATOM 1208 HB3 LEU A 86 18.988 12.883 10.153 1.00 0.00 H ATOM 1209 HG LEU A 86 16.533 13.309 9.800 1.00 0.00 H ATOM 1210 HD21 LEU A 86 17.895 11.325 7.949 1.00 0.00 H ATOM 1211 HD22 LEU A 86 17.502 11.066 9.666 1.00 0.00 H ATOM 1212 HD23 LEU A 86 16.194 11.263 8.474 1.00 0.00 H ATOM 1213 HD11 LEU A 86 16.723 14.894 7.953 1.00 0.00 H ATOM 1214 HD12 LEU A 86 17.433 13.626 6.923 1.00 0.00 H ATOM 1215 HD13 LEU A 86 15.747 13.482 7.479 1.00 0.00 H ATOM 1216 H LEU A 86 20.796 14.426 10.451 1.00 0.00 H ATOM 1217 N ALA A 87 16.809 16.077 10.783 1.00 17.24 N ATOM 1218 CA ALA A 87 15.788 16.390 11.777 1.00 16.74 C ATOM 1219 C ALA A 87 14.553 15.521 11.553 1.00 15.59 C ATOM 1220 O ALA A 87 13.907 15.118 12.515 1.00 19.50 O ATOM 1221 CB ALA A 87 15.415 17.849 11.707 1.00 18.94 C ATOM 1222 HA ALA A 87 16.192 16.182 12.768 1.00 0.00 H ATOM 1223 HB1 ALA A 87 16.298 18.458 11.901 1.00 0.00 H ATOM 1224 HB2 ALA A 87 15.026 18.076 10.714 1.00 0.00 H ATOM 1225 HB3 ALA A 87 14.652 18.064 12.455 1.00 0.00 H ATOM 1226 H ALA A 87 16.749 16.519 9.843 1.00 0.00 H ATOM 1227 N GLY A 88 14.226 15.245 10.290 1.00 13.44 N ATOM 1228 CA GLY A 88 13.068 14.421 9.973 1.00 10.24 C ATOM 1229 C GLY A 88 12.673 14.438 8.508 1.00 7.33 C ATOM 1230 O GLY A 88 13.198 15.227 7.722 1.00 10.70 O ATOM 1231 HA3 GLY A 88 12.222 14.780 10.559 1.00 0.00 H ATOM 1232 HA2 GLY A 88 13.293 13.392 10.254 1.00 0.00 H ATOM 1233 H GLY A 88 14.809 15.625 9.517 1.00 0.00 H ATOM 1234 N VAL A 89 11.802 13.505 8.130 1.00 8.99 N ATOM 1235 CA VAL A 89 11.265 13.382 6.772 1.00 8.52 C ATOM 1236 C VAL A 89 9.768 13.657 6.960 1.00 9.91 C ATOM 1237 O VAL A 89 9.113 12.997 7.767 1.00 7.43 O ATOM 1238 CB VAL A 89 11.453 11.960 6.196 1.00 11.00 C ATOM 1239 CG1 VAL A 89 10.912 11.890 4.793 1.00 8.40 C ATOM 1240 CG2 VAL A 89 12.923 11.574 6.197 1.00 9.10 C ATOM 1241 HA VAL A 89 11.766 14.056 6.077 1.00 0.00 H ATOM 1242 HB VAL A 89 10.904 11.261 6.827 1.00 0.00 H ATOM 1243 HG11 VAL A 89 9.850 12.134 4.802 1.00 0.00 H ATOM 1244 HG12 VAL A 89 11.444 12.603 4.164 1.00 0.00 H ATOM 1245 HG13 VAL A 89 11.052 10.883 4.401 1.00 0.00 H ATOM 1246 HG21 VAL A 89 13.483 12.281 5.585 1.00 0.00 H ATOM 1247 HG22 VAL A 89 13.302 11.595 7.219 1.00 0.00 H ATOM 1248 HG23 VAL A 89 13.034 10.570 5.788 1.00 0.00 H ATOM 1249 H VAL A 89 11.482 12.820 8.844 1.00 0.00 H ATOM 1250 N ILE A 90 9.247 14.661 6.256 1.00 12.20 N ATOM 1251 CA ILE A 90 7.844 15.065 6.397 1.00 13.32 C ATOM 1252 C ILE A 90 7.085 15.094 5.070 1.00 11.86 C ATOM 1253 O ILE A 90 7.684 15.093 4.002 1.00 15.12 O ATOM 1254 CB ILE A 90 7.759 16.455 7.068 1.00 12.95 C ATOM 1255 CG1 ILE A 90 8.425 17.500 6.168 1.00 12.63 C ATOM 1256 CG2 ILE A 90 8.445 16.420 8.437 1.00 10.66 C ATOM 1257 CD1 ILE A 90 8.434 18.886 6.741 1.00 11.57 C ATOM 1258 HA ILE A 90 7.367 14.309 7.021 1.00 0.00 H ATOM 1259 HB ILE A 90 6.712 16.723 7.211 1.00 0.00 H ATOM 1260 HG12 ILE A 90 9.457 17.195 5.994 1.00 0.00 H ATOM 1261 HG13 ILE A 90 7.890 17.525 5.219 1.00 0.00 H ATOM 1262 HD11 ILE A 90 7.409 19.214 6.910 1.00 0.00 H ATOM 1263 HD12 ILE A 90 8.977 18.883 7.686 1.00 0.00 H ATOM 1264 HD13 ILE A 90 8.923 19.564 6.041 1.00 0.00 H ATOM 1265 HG21 ILE A 90 7.950 15.685 9.071 1.00 0.00 H ATOM 1266 HG22 ILE A 90 9.492 16.146 8.310 1.00 0.00 H ATOM 1267 HG23 ILE A 90 8.379 17.404 8.900 1.00 0.00 H ATOM 1268 H ILE A 90 9.854 15.174 5.586 1.00 0.00 H ATOM 1269 N THR A 91 5.765 15.158 5.131 1.00 10.96 N ATOM 1270 CA THR A 91 5.003 15.160 3.901 1.00 11.12 C ATOM 1271 C THR A 91 3.666 15.887 3.974 1.00 10.68 C ATOM 1272 O THR A 91 3.024 15.934 5.021 1.00 9.06 O ATOM 1273 CB THR A 91 4.756 13.699 3.410 1.00 13.67 C ATOM 1274 OG1 THR A 91 4.087 13.721 2.140 1.00 11.48 O ATOM 1275 CG2 THR A 91 3.910 12.916 4.418 1.00 10.92 C ATOM 1276 HA THR A 91 5.619 15.717 3.195 1.00 0.00 H ATOM 1277 HB THR A 91 5.722 13.205 3.311 1.00 0.00 H ATOM 1278 HG1 THR A 91 4.650 14.199 1.480 1.00 0.00 H ATOM 1279 HG23 THR A 91 4.418 12.900 5.382 1.00 0.00 H ATOM 1280 HG21 THR A 91 2.938 13.398 4.526 1.00 0.00 H ATOM 1281 HG22 THR A 91 3.773 11.895 4.061 1.00 0.00 H ATOM 1282 H THR A 91 5.282 15.206 6.051 1.00 0.00 H ATOM 1283 N HIS A 92 3.279 16.478 2.844 1.00 12.02 N ATOM 1284 CA HIS A 92 2.009 17.181 2.695 1.00 13.11 C ATOM 1285 C HIS A 92 0.900 16.142 2.578 1.00 14.34 C ATOM 1286 O HIS A 92 -0.270 16.444 2.837 1.00 13.32 O ATOM 1287 CB HIS A 92 2.007 18.027 1.411 1.00 11.08 C ATOM 1288 CG HIS A 92 2.671 19.358 1.559 1.00 12.03 C ATOM 1289 ND1 HIS A 92 2.367 20.225 2.580 1.00 12.93 N ATOM 1290 CD2 HIS A 92 3.639 19.953 0.822 1.00 11.13 C ATOM 1291 CE1 HIS A 92 3.123 21.307 2.471 1.00 13.10 C ATOM 1292 NE2 HIS A 92 3.899 21.164 1.415 1.00 9.66 N ATOM 1293 HA HIS A 92 1.859 17.833 3.556 1.00 0.00 H ATOM 1294 HB2 HIS A 92 2.526 17.469 0.632 1.00 0.00 H ATOM 1295 HB3 HIS A 92 0.972 18.191 1.110 1.00 0.00 H ATOM 1296 HD2 HIS A 92 4.119 19.549 -0.069 1.00 0.00 H ATOM 1297 HE1 HIS A 92 3.106 22.168 3.140 1.00 0.00 H ATOM 1298 H HIS A 92 3.917 16.436 2.024 1.00 0.00 H ATOM 1299 N THR A 93 1.265 14.947 2.102 1.00 16.42 N ATOM 1300 CA THR A 93 0.308 13.850 1.924 1.00 15.00 C ATOM 1301 C THR A 93 -0.304 13.477 3.262 1.00 13.58 C ATOM 1302 O THR A 93 0.397 13.080 4.172 1.00 18.36 O ATOM 1303 CB THR A 93 0.977 12.605 1.302 1.00 16.26 C ATOM 1304 OG1 THR A 93 1.548 12.956 0.037 1.00 17.05 O ATOM 1305 CG2 THR A 93 -0.036 11.494 1.090 1.00 16.63 C ATOM 1306 HA THR A 93 -0.468 14.196 1.241 1.00 0.00 H ATOM 1307 HB THR A 93 1.750 12.253 1.985 1.00 0.00 H ATOM 1308 HG1 THR A 93 1.977 12.158 -0.363 1.00 0.00 H ATOM 1309 HG23 THR A 93 -0.477 11.219 2.048 1.00 0.00 H ATOM 1310 HG21 THR A 93 -0.818 11.841 0.415 1.00 0.00 H ATOM 1311 HG22 THR A 93 0.463 10.627 0.656 1.00 0.00 H ATOM 1312 H THR A 93 2.262 14.790 1.849 1.00 0.00 H ATOM 1313 N GLY A 94 -1.613 13.625 3.376 1.00 14.91 N ATOM 1314 CA GLY A 94 -2.283 13.315 4.622 1.00 19.48 C ATOM 1315 C GLY A 94 -2.491 14.535 5.502 1.00 20.21 C ATOM 1316 O GLY A 94 -3.174 14.459 6.518 1.00 24.08 O ATOM 1317 HA3 GLY A 94 -1.681 12.590 5.170 1.00 0.00 H ATOM 1318 HA2 GLY A 94 -3.256 12.880 4.395 1.00 0.00 H ATOM 1319 H GLY A 94 -2.166 13.967 2.564 1.00 0.00 H ATOM 1320 N ALA A 95 -1.882 15.656 5.146 1.00 21.11 N ATOM 1321 CA ALA A 95 -2.047 16.873 5.932 1.00 21.41 C ATOM 1322 C ALA A 95 -2.968 17.833 5.171 1.00 21.80 C ATOM 1323 O ALA A 95 -3.119 17.727 3.946 1.00 25.31 O ATOM 1324 CB ALA A 95 -0.690 17.513 6.207 1.00 16.22 C ATOM 1325 HA ALA A 95 -2.499 16.635 6.895 1.00 0.00 H ATOM 1326 HB1 ALA A 95 -0.065 16.813 6.761 1.00 0.00 H ATOM 1327 HB2 ALA A 95 -0.209 17.762 5.261 1.00 0.00 H ATOM 1328 HB3 ALA A 95 -0.830 18.420 6.795 1.00 0.00 H ATOM 1329 H ALA A 95 -1.280 15.668 4.298 1.00 0.00 H ATOM 1330 N SER A 96 -3.610 18.742 5.902 1.00 22.54 N ATOM 1331 CA SER A 96 -4.521 19.721 5.303 1.00 23.61 C ATOM 1332 C SER A 96 -3.808 20.974 4.803 1.00 22.87 C ATOM 1333 O SER A 96 -2.848 21.445 5.420 1.00 22.24 O ATOM 1334 CB SER A 96 -5.597 20.136 6.305 1.00 23.30 C ATOM 1335 OG SER A 96 -6.375 19.022 6.685 1.00 34.69 O ATOM 1336 HA SER A 96 -4.970 19.225 4.442 1.00 0.00 H ATOM 1337 HB2 SER A 96 -6.243 20.886 5.848 1.00 0.00 H ATOM 1338 HB3 SER A 96 -5.120 20.559 7.189 1.00 0.00 H ATOM 1339 HG SER A 96 -7.066 19.309 7.333 1.00 0.00 H ATOM 1340 H SER A 96 -3.460 18.758 6.931 1.00 0.00 H ATOM 1341 N GLY A 97 -4.316 21.531 3.707 1.00 22.76 N ATOM 1342 CA GLY A 97 -3.740 22.730 3.145 1.00 20.81 C ATOM 1343 C GLY A 97 -2.252 22.617 2.948 1.00 21.22 C ATOM 1344 O GLY A 97 -1.780 21.697 2.297 1.00 23.74 O ATOM 1345 HA3 GLY A 97 -3.942 23.564 3.818 1.00 0.00 H ATOM 1346 HA2 GLY A 97 -4.207 22.923 2.179 1.00 0.00 H ATOM 1347 H GLY A 97 -5.141 21.096 3.247 1.00 0.00 H ATOM 1348 N ASN A 98 -1.506 23.542 3.535 1.00 20.93 N ATOM 1349 CA ASN A 98 -0.052 23.527 3.408 1.00 18.03 C ATOM 1350 C ASN A 98 0.666 22.932 4.595 1.00 10.93 C ATOM 1351 O ASN A 98 1.885 23.023 4.706 1.00 10.17 O ATOM 1352 CB ASN A 98 0.479 24.926 3.124 1.00 23.20 C ATOM 1353 CG ASN A 98 0.294 25.323 1.687 1.00 24.41 C ATOM 1354 OD1 ASN A 98 0.813 24.664 0.782 1.00 26.94 O ATOM 1355 ND2 ASN A 98 -0.460 26.394 1.459 1.00 26.77 N ATOM 1356 HA ASN A 98 0.159 22.870 2.564 1.00 0.00 H ATOM 1357 HB2 ASN A 98 -0.052 25.638 3.756 1.00 0.00 H ATOM 1358 HB3 ASN A 98 1.542 24.953 3.362 1.00 0.00 H ATOM 1359 HD22 ASN A 98 -0.876 26.917 2.256 1.00 0.00 H ATOM 1360 HD21 ASN A 98 -0.634 26.709 0.483 1.00 0.00 H ATOM 1361 H ASN A 98 -1.964 24.290 4.095 1.00 0.00 H ATOM 1362 N ASN A 99 -0.084 22.267 5.459 1.00 13.30 N ATOM 1363 CA ASN A 99 0.501 21.638 6.627 1.00 12.76 C ATOM 1364 C ASN A 99 1.246 20.387 6.218 1.00 10.33 C ATOM 1365 O ASN A 99 1.127 19.906 5.076 1.00 7.57 O ATOM 1366 CB ASN A 99 -0.570 21.263 7.647 1.00 15.70 C ATOM 1367 CG ASN A 99 -1.323 22.465 8.175 1.00 20.01 C ATOM 1368 OD1 ASN A 99 -0.812 23.578 8.185 1.00 24.77 O ATOM 1369 ND2 ASN A 99 -2.551 22.239 8.617 1.00 24.79 N ATOM 1370 HA ASN A 99 1.186 22.353 7.083 1.00 0.00 H ATOM 1371 HB2 ASN A 99 -1.281 20.587 7.173 1.00 0.00 H ATOM 1372 HB3 ASN A 99 -0.091 20.756 8.485 1.00 0.00 H ATOM 1373 HD22 ASN A 99 -2.945 21.277 8.589 1.00 0.00 H ATOM 1374 HD21 ASN A 99 -3.121 23.024 8.992 1.00 0.00 H ATOM 1375 H ASN A 99 -1.109 22.194 5.298 1.00 0.00 H ATOM 1376 N PHE A 100 2.017 19.872 7.164 1.00 10.41 N ATOM 1377 CA PHE A 100 2.822 18.664 6.988 1.00 12.90 C ATOM 1378 C PHE A 100 2.477 17.700 8.118 1.00 14.03 C ATOM 1379 O PHE A 100 1.837 18.082 9.104 1.00 14.98 O ATOM 1380 CB PHE A 100 4.319 18.960 7.160 1.00 10.83 C ATOM 1381 CG PHE A 100 4.961 19.615 6.002 1.00 12.16 C ATOM 1382 CD1 PHE A 100 5.185 18.914 4.829 1.00 12.66 C ATOM 1383 CD2 PHE A 100 5.423 20.926 6.103 1.00 10.36 C ATOM 1384 CE1 PHE A 100 5.873 19.513 3.764 1.00 10.10 C ATOM 1385 CE2 PHE A 100 6.101 21.524 5.056 1.00 9.81 C ATOM 1386 CZ PHE A 100 6.327 20.812 3.883 1.00 10.27 C ATOM 1387 HA PHE A 100 2.619 18.269 5.993 1.00 0.00 H ATOM 1388 HB2 PHE A 100 4.438 19.611 8.026 1.00 0.00 H ATOM 1389 HB3 PHE A 100 4.832 18.016 7.343 1.00 0.00 H ATOM 1390 HD2 PHE A 100 5.248 21.488 7.020 1.00 0.00 H ATOM 1391 HE2 PHE A 100 6.457 22.550 5.150 1.00 0.00 H ATOM 1392 HZ PHE A 100 6.863 21.279 3.057 1.00 0.00 H ATOM 1393 HE1 PHE A 100 6.049 18.955 2.844 1.00 0.00 H ATOM 1394 HD1 PHE A 100 4.824 17.890 4.733 1.00 0.00 H ATOM 1395 H PHE A 100 2.052 20.354 8.085 1.00 0.00 H ATOM 1396 N VAL A 101 2.898 16.455 7.950 1.00 17.15 N ATOM 1397 CA VAL A 101 2.764 15.406 8.953 1.00 14.30 C ATOM 1398 C VAL A 101 4.087 14.672 8.764 1.00 14.92 C ATOM 1399 O VAL A 101 4.722 14.797 7.704 1.00 15.96 O ATOM 1400 CB VAL A 101 1.590 14.428 8.712 1.00 11.76 C ATOM 1401 CG1 VAL A 101 0.264 15.152 8.831 1.00 14.68 C ATOM 1402 CG2 VAL A 101 1.733 13.735 7.375 1.00 11.70 C ATOM 1403 HA VAL A 101 2.558 15.810 9.944 1.00 0.00 H ATOM 1404 HB VAL A 101 1.615 13.656 9.481 1.00 0.00 H ATOM 1405 HG11 VAL A 101 0.172 15.577 9.830 1.00 0.00 H ATOM 1406 HG12 VAL A 101 0.219 15.950 8.090 1.00 0.00 H ATOM 1407 HG13 VAL A 101 -0.550 14.448 8.658 1.00 0.00 H ATOM 1408 HG21 VAL A 101 1.739 14.480 6.580 1.00 0.00 H ATOM 1409 HG22 VAL A 101 2.667 13.174 7.356 1.00 0.00 H ATOM 1410 HG23 VAL A 101 0.895 13.053 7.229 1.00 0.00 H ATOM 1411 H VAL A 101 3.352 16.211 7.047 1.00 0.00 H ATOM 1412 N GLU A 102 4.562 14.008 9.811 1.00 15.20 N ATOM 1413 CA GLU A 102 5.810 13.251 9.735 1.00 15.24 C ATOM 1414 C GLU A 102 5.593 11.913 9.026 1.00 16.23 C ATOM 1415 O GLU A 102 4.541 11.288 9.165 1.00 17.60 O ATOM 1416 CB GLU A 102 6.352 12.968 11.133 1.00 18.48 C ATOM 1417 CG GLU A 102 7.191 14.067 11.734 1.00 22.99 C ATOM 1418 CD GLU A 102 7.974 13.578 12.948 1.00 28.16 C ATOM 1419 OE1 GLU A 102 8.955 12.817 12.762 1.00 32.47 O ATOM 1420 OE2 GLU A 102 7.613 13.947 14.089 1.00 28.49 O ATOM 1421 HA GLU A 102 6.523 13.855 9.173 1.00 0.00 H ATOM 1422 HB2 GLU A 102 5.503 12.792 11.794 1.00 0.00 H ATOM 1423 HB3 GLU A 102 6.964 12.067 11.081 1.00 0.00 H ATOM 1424 HG2 GLU A 102 7.893 14.427 10.982 1.00 0.00 H ATOM 1425 HG3 GLU A 102 6.537 14.884 12.040 1.00 0.00 H ATOM 1426 H GLU A 102 4.034 14.027 10.707 1.00 0.00 H ATOM 1427 N CYS A 103 6.593 11.489 8.262 1.00 17.80 N ATOM 1428 CA CYS A 103 6.554 10.208 7.559 1.00 19.82 C ATOM 1429 C CYS A 103 6.906 9.134 8.587 1.00 22.87 C ATOM 1430 O CYS A 103 7.896 9.269 9.311 1.00 27.37 O ATOM 1431 CB CYS A 103 7.560 10.198 6.408 1.00 14.03 C ATOM 1432 SG CYS A 103 7.108 11.364 5.097 1.00 14.16 S ATOM 1433 HA CYS A 103 5.569 10.028 7.128 1.00 0.00 H ATOM 1434 HB2 CYS A 103 7.602 9.194 5.986 1.00 0.00 H ATOM 1435 HB3 CYS A 103 8.542 10.469 6.797 1.00 0.00 H ATOM 1436 H CYS A 103 7.435 12.091 8.160 1.00 0.00 H ATOM 1437 N THR A 104 6.079 8.095 8.671 1.00 25.05 N ATOM 1438 CA THR A 104 6.284 7.017 9.640 1.00 27.61 C ATOM 1439 C THR A 104 7.425 6.061 9.290 1.00 25.44 C ATOM 1440 O THR A 104 8.110 5.594 10.227 1.00 25.65 O ATOM 1441 CB THR A 104 5.002 6.226 9.836 1.00 27.70 C ATOM 1442 OG1 THR A 104 4.411 5.965 8.561 1.00 35.54 O ATOM 1443 CG2 THR A 104 4.032 7.019 10.652 1.00 37.35 C ATOM 1444 HA THR A 104 6.573 7.515 10.566 1.00 0.00 H ATOM 1445 OXT THR A 104 7.623 5.797 8.091 1.00 23.01 O ATOM 1446 HB THR A 104 5.237 5.292 10.347 1.00 0.00 H ATOM 1447 HG1 THR A 104 3.575 5.449 8.685 1.00 0.00 H ATOM 1448 HG23 THR A 104 4.467 7.228 11.630 1.00 0.00 H ATOM 1449 HG21 THR A 104 3.813 7.957 10.143 1.00 0.00 H ATOM 1450 HG22 THR A 104 3.112 6.448 10.777 1.00 0.00 H ATOM 1451 H THR A 104 5.262 8.047 8.029 1.00 0.00 H TER 1452 THR A 104 HETATM 1453 O HOH 1 6.601 23.404 0.863 1.00 25.87 O HETATM 1454 O HOH 2 16.839 10.697 -2.669 1.00 10.87 O HETATM 1455 O HOH 3 8.367 14.858 -3.179 1.00 9.10 O HETATM 1456 O HOH 4 3.693 11.391 -0.366 1.00 6.44 O HETATM 1457 O HOH 5 5.825 3.189 -3.752 1.00 26.43 O HETATM 1458 O HOH 6 15.440 5.460 -5.448 1.00 43.69 O HETATM 1459 O HOH 7 20.628 11.103 6.748 1.00 25.48 O HETATM 1460 O HOH 8 18.646 8.073 -4.033 1.00 18.01 O HETATM 1461 O HOH 9 20.726 27.974 0.799 1.00 29.58 O HETATM 1462 O HOH 10 13.966 26.840 12.002 1.00 18.56 O HETATM 1463 O HOH 11 16.528 15.678 -3.486 1.00 17.79 O HETATM 1464 O HOH 12 8.037 12.691 -4.973 1.00 29.74 O HETATM 1465 O HOH 13 3.179 13.790 12.187 1.00 19.27 O HETATM 1466 O HOH 14 9.826 2.441 10.310 1.00 42.06 O HETATM 1467 O HOH 15 5.779 30.549 5.741 1.00 23.93 O HETATM 1468 O HOH 16 -0.408 10.198 5.065 1.00 18.67 O HETATM 1469 O HOH 17 15.369 13.032 -3.972 1.00 20.62 O HETATM 1470 O HOH 18 23.825 13.682 -2.735 1.00 28.56 O HETATM 1471 O HOH 19 13.357 14.939 22.513 1.00 23.27 O HETATM 1472 O HOH 20 12.671 18.544 -10.183 1.00 33.56 O HETATM 1473 O HOH 21 9.989 9.454 11.129 1.00 49.04 O HETATM 1474 O HOH 22 10.548 12.452 10.432 1.00 28.03 O HETATM 1475 O HOH 23 8.363 2.928 7.268 1.00 17.08 O HETATM 1476 O HOH 24 8.352 5.794 -3.431 1.00 26.60 O HETATM 1477 O HOH 25 23.662 19.608 -4.777 1.00 47.23 O HETATM 1478 O HOH 26 9.917 25.375 -6.648 1.00 15.51 O HETATM 1479 O HOH 27 16.137 29.428 -6.722 1.00 25.46 O HETATM 1480 O HOH 28 -0.503 18.966 10.313 1.00 41.89 O HETATM 1481 O HOH 29 2.765 8.413 5.421 1.00 30.70 O HETATM 1482 O HOH 30 20.939 19.603 -7.507 1.00 25.62 O HETATM 1483 O HOH 31 4.929 13.531 14.543 1.00 31.56 O HETATM 1484 O HOH 32 16.355 30.344 4.690 1.00 31.03 O HETATM 1485 O HOH 33 1.209 9.093 -1.667 1.00 32.09 O HETATM 1486 O HOH 34 28.733 20.901 8.630 1.00 32.06 O HETATM 1487 O HOH 35 26.130 15.457 -2.918 1.00 27.20 O HETATM 1488 O HOH 36 12.728 -2.244 6.426 1.00 30.60 O HETATM 1489 O HOH 37 6.312 9.705 12.883 1.00 32.34 O HETATM 1490 O HOH 38 19.731 27.327 3.282 1.00 28.73 O HETATM 1491 O HOH 39 -1.105 6.428 -4.195 1.00 33.26 O HETATM 1492 O HOH 40 11.192 3.116 -2.871 1.00 34.29 O HETATM 1493 O HOH 41 25.759 11.828 -1.486 1.00 37.05 O HETATM 1494 O HOH 42 24.169 23.106 -7.803 1.00 37.97 O HETATM 1495 O HOH 43 22.212 26.961 -8.391 1.00 35.57 O HETATM 1496 O HOH 44 26.498 31.722 3.441 1.00 34.80 O HETATM 1497 O HOH 45 31.533 24.547 -0.382 1.00 33.11 O HETATM 1498 O HOH 46 -3.212 18.855 8.911 1.00 30.54 O HETATM 1499 O HOH 47 5.460 13.344 -4.124 1.00 35.99 O HETATM 1500 O HOH 48 22.382 13.130 10.481 1.00 28.88 O HETATM 1501 O HOH 49 3.365 31.172 4.322 1.00 34.20 O HETATM 1502 O5 G A 50 4.000 25.471 3.693 1.00 -0.39 O HETATM 1503 C5 G A 50 3.843 26.700 2.993 1.00 0.07 C HETATM 1504 C4 G A 50 5.176 27.436 2.803 1.00 0.12 C HETATM 1505 O4 G A 50 5.725 27.866 4.059 1.00 -0.34 O HETATM 1506 C1 G A 50 7.054 27.314 4.207 1.00 0.20 C HETATM 1507 C2 G A 50 7.151 26.150 3.239 1.00 0.14 C HETATM 1508 C3 G A 50 6.231 26.561 2.129 1.00 0.15 C HETATM 1509 O3 G A 50 6.965 27.351 1.170 1.00 -0.27 O HETATM 1510 P G A 50 7.051 27.008 -0.395 1.00 0.11 P HETATM 1511 O1P G A 50 7.314 25.542 -0.545 1.00 -0.62 O HETATM 1512 O2P G A 50 8.012 27.942 -0.984 1.00 -0.62 O HETATM 1513 H13 G A 50 6.157 27.191 -0.823 1.00 0.18 H HETATM 1514 H5 G A 50 5.776 25.687 1.640 1.00 0.07 H HETATM 1515 O2 G A 50 8.467 25.958 2.750 1.00 -0.38 O HETATM 1516 H7 G A 50 8.784 26.769 2.371 1.00 0.21 H HETATM 1517 H6 G A 50 6.805 25.221 3.715 1.00 0.07 H HETATM 1518 N9 G A 50 7.324 26.889 5.602 1.00 -0.21 N HETATM 1519 C8 G A 50 8.368 27.187 6.401 1.00 0.10 C HETATM 1520 N7 G A 50 8.450 26.670 7.565 1.00 -0.32 N HETATM 1521 C5 G A 50 7.281 25.895 7.559 1.00 0.09 C HETATM 1522 C6 G A 50 6.744 25.090 8.570 1.00 0.21 C HETATM 1523 O6 G A 50 7.198 24.889 9.693 1.00 -0.41 O HETATM 1524 N1 G A 50 5.549 24.515 8.191 1.00 -0.18 N HETATM 1525 C2 G A 50 4.930 24.706 6.986 1.00 0.23 C HETATM 1526 N2 G A 50 3.783 24.092 6.797 1.00 -0.28 N HETATM 1527 H11 G A 50 3.279 24.205 5.906 1.00 0.19 H HETATM 1528 H12 G A 50 3.388 23.498 7.540 1.00 0.19 H HETATM 1529 N3 G A 50 5.418 25.468 6.023 1.00 -0.28 N HETATM 1530 C4 G A 50 6.591 26.040 6.370 1.00 0.12 C HETATM 1531 H10 G A 50 5.099 23.911 8.849 1.00 0.25 H HETATM 1532 H9 G A 50 9.142 27.869 6.053 1.00 0.12 H HETATM 1533 H8 G A 50 7.796 28.078 3.931 1.00 0.10 H HETATM 1534 H4 G A 50 4.990 28.318 2.172 1.00 0.07 H HETATM 1535 H2 G A 50 3.160 27.347 3.563 1.00 0.06 H HETATM 1536 H3 G A 50 3.410 26.491 2.004 1.00 0.06 H HETATM 1537 H1 G A 50 4.367 25.642 4.552 1.00 0.21 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 18 17 117 CONECT 75 74 1432 CONECT 117 18 116 CONECT 1432 75 1431 CONECT 1502 1503 1537 CONECT 1503 1502 1504 1535 1536 CONECT 1504 1503 1505 1508 1534 CONECT 1505 1504 1506 CONECT 1506 1505 1507 1518 1533 CONECT 1507 1506 1508 1515 1517 CONECT 1508 1504 1507 1509 1514 CONECT 1509 1508 1510 CONECT 1510 1509 1511 1512 1513 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1510 CONECT 1514 1508 CONECT 1515 1507 1516 CONECT 1516 1515 CONECT 1517 1507 CONECT 1518 1506 1519 1530 CONECT 1519 1518 1520 1532 CONECT 1520 1519 1521 CONECT 1521 1520 1522 1530 CONECT 1522 1521 1523 1524 CONECT 1523 1522 CONECT 1524 1522 1525 1531 CONECT 1525 1524 1526 1529 CONECT 1526 1525 1527 1528 CONECT 1527 1526 CONECT 1528 1526 CONECT 1529 1525 1530 CONECT 1530 1518 1521 1529 CONECT 1531 1524 CONECT 1532 1519 CONECT 1533 1506 CONECT 1534 1504 CONECT 1535 1503 CONECT 1536 1503 CONECT 1537 1502 MASTER 0 0 0 0 0 0 0 0 1536 1 44 8 END
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Entry Information
PDB ID
1b2m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease t1
Ligand Name
2-mer
EC.Number
E.C.3.1.27.3
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.185mM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v38 pp. 2452-61, 1999
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
202.56
LOGP Value
-3.99 (
Computed with XLOGP3
)
-2.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)O)O)n1cnc2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C10H16N5O7P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(22-23(19)20)3(1-16)21-9/h2-3,5-6,9,16-17,19-20H,1,23H2,(H3,11,13,14,18)/t3-,5-,6-,9-/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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