Browse entries in the PDBbind-CN Database
HEADER 1J5I_COMPLEX COMPND 1J5I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 ALA ALA PRO THR ALA THR VAL THR PRO SER SER GLY LEU SEQRES 2 A 113 SER ASP GLY THR VAL VAL LYS VAL ALA GLY ALA GLY LEU SEQRES 3 A 113 GLN ALA GLY THR ALA TYR ASP VAL GLY GLN CYS ALA TRP SEQRES 4 A 113 VAL ASP THR GLY VAL LEU ALA CYS ASN PRO ALA ASP PHE SEQRES 5 A 113 SER SER VAL THR ALA ASP ALA ASN GLY SER ALA SER THR SEQRES 6 A 113 SER LEU THR VAL ARG ARG SER PHE GLU GLY PHE LEU PHE SEQRES 7 A 113 ASP GLY THR ARG TRP GLY THR VAL ASP CYS THR THR ALA SEQRES 8 A 113 ALA CYS GLN VAL GLY LEU SER ASP ALA ALA GLY ASN GLY SEQRES 9 A 113 PRO GLU GLY VAL ALA ILE SER PHE ASN HET NCZ A 114 42 SSBOND 1 CYS A 37 CYS A 47 SSBOND 2 CYS A 88 CYS A 93 ATOM 1 N ALA A 1 -14.645 3.810 11.294 1.00 0.00 N ATOM 2 CA ALA A 1 -15.141 2.838 12.255 1.00 0.00 C ATOM 3 C ALA A 1 -14.923 1.426 11.707 1.00 0.00 C ATOM 4 O ALA A 1 -15.878 0.674 11.522 1.00 0.00 O ATOM 5 CB ALA A 1 -16.614 3.125 12.555 1.00 0.00 C ATOM 6 HA ALA A 1 -14.594 2.914 13.195 1.00 0.00 H ATOM 7 HB1 ALA A 1 -16.710 4.129 12.969 1.00 0.00 H ATOM 8 HB2 ALA A 1 -17.192 3.054 11.633 1.00 0.00 H ATOM 9 HB3 ALA A 1 -16.985 2.396 13.275 1.00 0.00 H ATOM 10 HN3 ALA A 1 -15.159 3.702 10.396 1.00 0.00 H ATOM 11 HN2 ALA A 1 -13.630 3.651 11.135 1.00 0.00 H ATOM 12 HN1 ALA A 1 -14.793 4.770 11.666 1.00 0.00 H ATOM 13 N ALA A 2 -13.659 1.110 11.460 1.00 0.00 N ATOM 14 CA ALA A 2 -13.303 -0.197 10.938 1.00 0.00 C ATOM 15 C ALA A 2 -11.802 -0.235 10.649 1.00 0.00 C ATOM 16 O ALA A 2 -11.125 0.790 10.728 1.00 0.00 O ATOM 17 CB ALA A 2 -14.144 -0.496 9.694 1.00 0.00 C ATOM 18 HA ALA A 2 -13.517 -0.974 11.672 1.00 0.00 H ATOM 19 HB1 ALA A 2 -15.201 -0.486 9.960 1.00 0.00 H ATOM 20 HB2 ALA A 2 -13.952 0.263 8.936 1.00 0.00 H ATOM 21 HB3 ALA A 2 -13.876 -1.477 9.303 1.00 0.00 H ATOM 22 H ALA A 2 -12.911 1.809 11.643 1.00 0.00 H ATOM 23 N PRO A 3 -11.311 -1.459 10.315 1.00 0.00 N ATOM 24 CA PRO A 3 -9.901 -1.642 10.013 1.00 0.00 C ATOM 25 C PRO A 3 -9.559 -1.087 8.629 1.00 0.00 C ATOM 26 O PRO A 3 -8.390 -1.039 8.247 1.00 0.00 O ATOM 27 CB PRO A 3 -9.667 -3.140 10.128 1.00 0.00 C ATOM 28 CG PRO A 3 -11.041 -3.785 10.030 1.00 0.00 C ATOM 29 CD PRO A 3 -12.083 -2.694 10.213 1.00 0.00 C ATOM 30 HA PRO A 3 -9.250 -1.096 10.696 1.00 0.00 H ATOM 31 HD3 PRO A 3 -12.756 -2.657 9.357 1.00 0.00 H ATOM 32 HD2 PRO A 3 -12.661 -2.863 11.121 1.00 0.00 H ATOM 33 HG3 PRO A 3 -11.153 -4.539 10.809 1.00 0.00 H ATOM 34 HG2 PRO A 3 -11.162 -4.253 9.053 1.00 0.00 H ATOM 35 HB2 PRO A 3 -9.026 -3.487 9.318 1.00 0.00 H ATOM 36 HB3 PRO A 3 -9.203 -3.379 11.085 1.00 0.00 H ATOM 37 N THR A 4 -10.598 -0.679 7.917 1.00 0.00 N ATOM 38 CA THR A 4 -10.421 -0.130 6.584 1.00 0.00 C ATOM 39 C THR A 4 -9.780 -1.166 5.660 1.00 0.00 C ATOM 40 O THR A 4 -10.007 -2.365 5.815 1.00 0.00 O ATOM 41 CB THR A 4 -9.605 1.160 6.709 1.00 0.00 C ATOM 42 OG1 THR A 4 -8.252 0.722 6.639 1.00 0.00 O ATOM 43 CG2 THR A 4 -9.723 1.795 8.095 1.00 0.00 C ATOM 44 HA THR A 4 -11.380 0.116 6.128 1.00 0.00 H ATOM 45 HB THR A 4 -9.936 1.874 5.955 1.00 0.00 H ATOM 46 HG1 THR A 4 -8.071 0.093 7.382 1.00 0.00 H ATOM 47 HG23 THR A 4 -10.739 2.163 8.239 1.00 0.00 H ATOM 48 HG21 THR A 4 -9.494 1.049 8.856 1.00 0.00 H ATOM 49 HG22 THR A 4 -9.020 2.624 8.175 1.00 0.00 H ATOM 50 H THR A 4 -11.555 -0.753 8.318 1.00 0.00 H ATOM 51 N ALA A 5 -8.995 -0.667 4.716 1.00 0.00 N ATOM 52 CA ALA A 5 -8.321 -1.535 3.767 1.00 0.00 C ATOM 53 C ALA A 5 -7.144 -2.224 4.459 1.00 0.00 C ATOM 54 O ALA A 5 -6.218 -1.561 4.925 1.00 0.00 O ATOM 55 CB ALA A 5 -7.884 -0.717 2.550 1.00 0.00 C ATOM 56 HA ALA A 5 -8.996 -2.314 3.412 1.00 0.00 H ATOM 57 HB1 ALA A 5 -8.761 -0.273 2.078 1.00 0.00 H ATOM 58 HB2 ALA A 5 -7.203 0.072 2.870 1.00 0.00 H ATOM 59 HB3 ALA A 5 -7.378 -1.369 1.838 1.00 0.00 H ATOM 60 H ALA A 5 -8.860 0.362 4.654 1.00 0.00 H ATOM 61 N THR A 6 -7.217 -3.546 4.505 1.00 0.00 N ATOM 62 CA THR A 6 -6.169 -4.333 5.132 1.00 0.00 C ATOM 63 C THR A 6 -5.977 -5.656 4.390 1.00 0.00 C ATOM 64 O THR A 6 -6.937 -6.231 3.880 1.00 0.00 O ATOM 65 CB THR A 6 -6.532 -4.512 6.609 1.00 0.00 C ATOM 66 OG1 THR A 6 -7.953 -4.602 6.607 1.00 0.00 O ATOM 67 CG2 THR A 6 -6.238 -3.262 7.438 1.00 0.00 C ATOM 68 HA THR A 6 -5.207 -3.824 5.077 1.00 0.00 H ATOM 69 HB THR A 6 -5.980 -5.358 7.020 1.00 0.00 H ATOM 70 HG1 THR A 6 -8.335 -3.771 6.227 1.00 0.00 H ATOM 71 HG23 THR A 6 -5.160 -3.111 7.495 1.00 0.00 H ATOM 72 HG21 THR A 6 -6.703 -2.397 6.966 1.00 0.00 H ATOM 73 HG22 THR A 6 -6.642 -3.390 8.442 1.00 0.00 H ATOM 74 H THR A 6 -8.038 -4.028 4.086 1.00 0.00 H ATOM 75 N VAL A 7 -4.730 -6.100 4.351 1.00 0.00 N ATOM 76 CA VAL A 7 -4.400 -7.346 3.678 1.00 0.00 C ATOM 77 C VAL A 7 -4.853 -8.523 4.542 1.00 0.00 C ATOM 78 O VAL A 7 -4.758 -8.472 5.767 1.00 0.00 O ATOM 79 CB VAL A 7 -2.906 -7.385 3.353 1.00 0.00 C ATOM 80 CG1 VAL A 7 -2.622 -8.336 2.188 1.00 0.00 C ATOM 81 CG2 VAL A 7 -2.370 -5.983 3.058 1.00 0.00 C ATOM 82 HA VAL A 7 -4.929 -7.418 2.727 1.00 0.00 H ATOM 83 HB VAL A 7 -2.384 -7.765 4.231 1.00 0.00 H ATOM 84 HG11 VAL A 7 -2.949 -9.341 2.453 1.00 0.00 H ATOM 85 HG12 VAL A 7 -3.164 -7.998 1.304 1.00 0.00 H ATOM 86 HG13 VAL A 7 -1.552 -8.343 1.979 1.00 0.00 H ATOM 87 HG21 VAL A 7 -2.902 -5.564 2.204 1.00 0.00 H ATOM 88 HG22 VAL A 7 -2.521 -5.347 3.930 1.00 0.00 H ATOM 89 HG23 VAL A 7 -1.306 -6.043 2.830 1.00 0.00 H ATOM 90 H VAL A 7 -3.976 -5.549 4.808 1.00 0.00 H ATOM 91 N THR A 8 -5.340 -9.557 3.872 1.00 0.00 N ATOM 92 CA THR A 8 -5.809 -10.746 4.560 1.00 0.00 C ATOM 93 C THR A 8 -4.769 -11.219 5.577 1.00 0.00 C ATOM 94 O THR A 8 -5.059 -11.323 6.767 1.00 0.00 O ATOM 95 CB THR A 8 -6.156 -11.800 3.508 1.00 0.00 C ATOM 96 OG1 THR A 8 -7.580 -11.807 3.479 1.00 0.00 O ATOM 97 CG2 THR A 8 -5.785 -13.216 3.952 1.00 0.00 C ATOM 98 HA THR A 8 -6.710 -10.538 5.137 1.00 0.00 H ATOM 99 HB THR A 8 -5.640 -11.565 2.577 1.00 0.00 H ATOM 100 HG1 THR A 8 -7.892 -12.471 2.815 1.00 0.00 H ATOM 101 HG23 THR A 8 -4.700 -13.307 4.004 1.00 0.00 H ATOM 102 HG21 THR A 8 -6.214 -13.412 4.935 1.00 0.00 H ATOM 103 HG22 THR A 8 -6.177 -13.935 3.233 1.00 0.00 H ATOM 104 H THR A 8 -5.387 -9.516 2.834 1.00 0.00 H ATOM 105 N PRO A 9 -3.545 -11.503 5.053 1.00 0.00 N ATOM 106 CA PRO A 9 -2.458 -11.964 5.901 1.00 0.00 C ATOM 107 C PRO A 9 -1.878 -10.813 6.723 1.00 0.00 C ATOM 108 O PRO A 9 -2.523 -9.779 6.893 1.00 0.00 O ATOM 109 CB PRO A 9 -1.448 -12.578 4.945 1.00 0.00 C ATOM 110 CG PRO A 9 -1.788 -12.029 3.570 1.00 0.00 C ATOM 111 CD PRO A 9 -3.167 -11.394 3.648 1.00 0.00 C ATOM 112 HA PRO A 9 -2.783 -12.695 6.641 1.00 0.00 H ATOM 113 HD3 PRO A 9 -3.128 -10.349 3.340 1.00 0.00 H ATOM 114 HD2 PRO A 9 -3.874 -11.931 3.016 1.00 0.00 H ATOM 115 HG3 PRO A 9 -1.793 -12.838 2.839 1.00 0.00 H ATOM 116 HG2 PRO A 9 -1.051 -11.281 3.277 1.00 0.00 H ATOM 117 HB2 PRO A 9 -0.435 -12.292 5.228 1.00 0.00 H ATOM 118 HB3 PRO A 9 -1.532 -13.665 4.951 1.00 0.00 H ATOM 119 N SER A 10 -0.665 -11.027 7.211 1.00 0.00 N ATOM 120 CA SER A 10 0.009 -10.018 8.012 1.00 0.00 C ATOM 121 C SER A 10 1.475 -9.907 7.586 1.00 0.00 C ATOM 122 O SER A 10 1.988 -8.804 7.406 1.00 0.00 O ATOM 123 CB SER A 10 -0.085 -10.347 9.505 1.00 0.00 C ATOM 124 OG SER A 10 -1.092 -9.577 10.156 1.00 0.00 O ATOM 125 HA SER A 10 -0.486 -9.061 7.846 1.00 0.00 H ATOM 126 HB2 SER A 10 0.877 -10.138 9.973 1.00 0.00 H ATOM 127 HB3 SER A 10 -0.321 -11.405 9.619 1.00 0.00 H ATOM 128 HG SER A 10 -1.121 -9.818 11.116 1.00 0.00 H ATOM 129 H SER A 10 -0.188 -11.931 7.018 1.00 0.00 H ATOM 130 N SER A 11 2.105 -11.063 7.438 1.00 0.00 N ATOM 131 CA SER A 11 3.500 -11.108 7.036 1.00 0.00 C ATOM 132 C SER A 11 3.639 -10.676 5.575 1.00 0.00 C ATOM 133 O SER A 11 4.117 -11.440 4.740 1.00 0.00 O ATOM 134 CB SER A 11 4.086 -12.509 7.233 1.00 0.00 C ATOM 135 OG SER A 11 3.274 -13.516 6.636 1.00 0.00 O ATOM 136 HA SER A 11 4.059 -10.417 7.667 1.00 0.00 H ATOM 137 HB2 SER A 11 4.167 -12.710 8.301 1.00 0.00 H ATOM 138 HB3 SER A 11 5.078 -12.543 6.782 1.00 0.00 H ATOM 139 HG SER A 11 3.200 -13.345 5.664 1.00 0.00 H ATOM 140 H SER A 11 1.593 -11.951 7.612 1.00 0.00 H ATOM 141 N GLY A 12 3.211 -9.448 5.313 1.00 0.00 N ATOM 142 CA GLY A 12 3.282 -8.906 3.965 1.00 0.00 C ATOM 143 C GLY A 12 4.682 -9.083 3.375 1.00 0.00 C ATOM 144 O GLY A 12 4.860 -9.018 2.161 1.00 0.00 O ATOM 145 HA3 GLY A 12 3.039 -7.844 3.995 1.00 0.00 H ATOM 146 HA2 GLY A 12 2.561 -9.425 3.334 1.00 0.00 H ATOM 147 H GLY A 12 2.820 -8.866 6.081 1.00 0.00 H ATOM 148 N LEU A 13 5.641 -9.304 4.264 1.00 0.00 N ATOM 149 CA LEU A 13 7.021 -9.490 3.845 1.00 0.00 C ATOM 150 C LEU A 13 7.152 -10.832 3.123 1.00 0.00 C ATOM 151 O LEU A 13 7.906 -11.702 3.555 1.00 0.00 O ATOM 152 CB LEU A 13 7.966 -9.337 5.038 1.00 0.00 C ATOM 153 CG LEU A 13 8.176 -10.590 5.893 1.00 0.00 C ATOM 154 CD1 LEU A 13 9.463 -11.314 5.497 1.00 0.00 C ATOM 155 CD2 LEU A 13 8.144 -10.248 7.383 1.00 0.00 C ATOM 156 HA LEU A 13 7.313 -8.716 3.135 1.00 0.00 H ATOM 157 HB2 LEU A 13 8.939 -9.027 4.656 1.00 0.00 H ATOM 158 HB3 LEU A 13 7.565 -8.556 5.684 1.00 0.00 H ATOM 159 HG LEU A 13 7.351 -11.276 5.703 1.00 0.00 H ATOM 160 HD21 LEU A 13 8.936 -9.534 7.608 1.00 0.00 H ATOM 161 HD22 LEU A 13 7.177 -9.811 7.633 1.00 0.00 H ATOM 162 HD23 LEU A 13 8.296 -11.156 7.966 1.00 0.00 H ATOM 163 HD11 LEU A 13 9.404 -11.610 4.450 1.00 0.00 H ATOM 164 HD12 LEU A 13 10.313 -10.646 5.640 1.00 0.00 H ATOM 165 HD13 LEU A 13 9.587 -12.200 6.120 1.00 0.00 H ATOM 166 H LEU A 13 5.403 -9.345 5.275 1.00 0.00 H ATOM 167 N SER A 14 6.408 -10.957 2.035 1.00 0.00 N ATOM 168 CA SER A 14 6.431 -12.177 1.247 1.00 0.00 C ATOM 169 C SER A 14 6.645 -11.844 -0.231 1.00 0.00 C ATOM 170 O SER A 14 5.912 -11.039 -0.800 1.00 0.00 O ATOM 171 CB SER A 14 5.139 -12.976 1.429 1.00 0.00 C ATOM 172 OG SER A 14 5.391 -14.312 1.859 1.00 0.00 O ATOM 173 HA SER A 14 7.260 -12.793 1.597 1.00 0.00 H ATOM 174 HB2 SER A 14 4.607 -13.007 0.478 1.00 0.00 H ATOM 175 HB3 SER A 14 4.519 -12.478 2.174 1.00 0.00 H ATOM 176 HG SER A 14 4.531 -14.791 1.964 1.00 0.00 H ATOM 177 H SER A 14 5.797 -10.169 1.740 1.00 0.00 H ATOM 178 N ASP A 15 7.654 -12.482 -0.808 1.00 0.00 N ATOM 179 CA ASP A 15 7.975 -12.262 -2.207 1.00 0.00 C ATOM 180 C ASP A 15 6.679 -12.054 -2.997 1.00 0.00 C ATOM 181 O ASP A 15 6.049 -13.018 -3.429 1.00 0.00 O ATOM 182 CB ASP A 15 8.701 -13.470 -2.803 1.00 0.00 C ATOM 183 CG ASP A 15 10.206 -13.517 -2.533 1.00 0.00 C ATOM 184 OD1 ASP A 15 10.568 -13.954 -1.420 1.00 0.00 O ATOM 185 OD2 ASP A 15 10.959 -13.114 -3.444 1.00 0.00 O ATOM 186 HA ASP A 15 8.620 -11.386 -2.270 1.00 0.00 H ATOM 187 HB2 ASP A 15 8.254 -14.373 -2.387 1.00 0.00 H ATOM 188 HB3 ASP A 15 8.551 -13.456 -3.883 1.00 0.00 H ATOM 189 H ASP A 15 8.224 -13.150 -0.250 1.00 0.00 H ATOM 190 N GLY A 16 6.319 -10.789 -3.158 1.00 0.00 N ATOM 191 CA GLY A 16 5.110 -10.442 -3.885 1.00 0.00 C ATOM 192 C GLY A 16 3.959 -11.382 -3.518 1.00 0.00 C ATOM 193 O GLY A 16 3.509 -12.172 -4.346 1.00 0.00 O ATOM 194 HA3 GLY A 16 5.304 -10.516 -4.955 1.00 0.00 H ATOM 195 HA2 GLY A 16 4.827 -9.419 -3.638 1.00 0.00 H ATOM 196 H GLY A 16 6.911 -10.033 -2.758 1.00 0.00 H ATOM 197 N THR A 17 3.517 -11.265 -2.275 1.00 0.00 N ATOM 198 CA THR A 17 2.428 -12.093 -1.786 1.00 0.00 C ATOM 199 C THR A 17 1.089 -11.588 -2.328 1.00 0.00 C ATOM 200 O THR A 17 0.768 -10.408 -2.201 1.00 0.00 O ATOM 201 CB THR A 17 2.495 -12.113 -0.258 1.00 0.00 C ATOM 202 OG1 THR A 17 2.555 -13.497 0.070 1.00 0.00 O ATOM 203 CG2 THR A 17 1.196 -11.630 0.391 1.00 0.00 C ATOM 204 HA THR A 17 2.522 -13.119 -2.142 1.00 0.00 H ATOM 205 HB THR A 17 3.322 -11.487 0.077 1.00 0.00 H ATOM 206 HG1 THR A 17 2.601 -13.600 1.054 1.00 0.00 H ATOM 207 HG23 THR A 17 1.064 -10.567 0.190 1.00 0.00 H ATOM 208 HG21 THR A 17 0.355 -12.186 -0.024 1.00 0.00 H ATOM 209 HG22 THR A 17 1.246 -11.794 1.467 1.00 0.00 H ATOM 210 H THR A 17 3.956 -10.569 -1.639 1.00 0.00 H ATOM 211 N VAL A 18 0.343 -12.508 -2.924 1.00 0.00 N ATOM 212 CA VAL A 18 -0.953 -12.171 -3.486 1.00 0.00 C ATOM 213 C VAL A 18 -2.051 -12.556 -2.492 1.00 0.00 C ATOM 214 O VAL A 18 -2.148 -13.710 -2.082 1.00 0.00 O ATOM 215 CB VAL A 18 -1.122 -12.845 -4.851 1.00 0.00 C ATOM 216 CG1 VAL A 18 -2.029 -12.015 -5.761 1.00 0.00 C ATOM 217 CG2 VAL A 18 0.236 -13.093 -5.511 1.00 0.00 C ATOM 218 HA VAL A 18 -1.028 -11.097 -3.655 1.00 0.00 H ATOM 219 HB VAL A 18 -1.599 -13.812 -4.692 1.00 0.00 H ATOM 220 HG11 VAL A 18 -3.010 -11.911 -5.297 1.00 0.00 H ATOM 221 HG12 VAL A 18 -1.589 -11.029 -5.909 1.00 0.00 H ATOM 222 HG13 VAL A 18 -2.132 -12.516 -6.724 1.00 0.00 H ATOM 223 HG21 VAL A 18 0.750 -12.142 -5.651 1.00 0.00 H ATOM 224 HG22 VAL A 18 0.836 -13.741 -4.872 1.00 0.00 H ATOM 225 HG23 VAL A 18 0.086 -13.572 -6.478 1.00 0.00 H ATOM 226 H VAL A 18 0.691 -13.486 -2.990 1.00 0.00 H ATOM 227 N VAL A 19 -2.852 -11.562 -2.132 1.00 0.00 N ATOM 228 CA VAL A 19 -3.940 -11.781 -1.194 1.00 0.00 C ATOM 229 C VAL A 19 -5.069 -10.794 -1.491 1.00 0.00 C ATOM 230 O VAL A 19 -5.025 -10.075 -2.488 1.00 0.00 O ATOM 231 CB VAL A 19 -3.420 -11.681 0.242 1.00 0.00 C ATOM 232 CG1 VAL A 19 -2.899 -13.034 0.731 1.00 0.00 C ATOM 233 CG2 VAL A 19 -2.341 -10.602 0.361 1.00 0.00 C ATOM 234 HA VAL A 19 -4.348 -12.785 -1.309 1.00 0.00 H ATOM 235 HB VAL A 19 -4.254 -11.392 0.881 1.00 0.00 H ATOM 236 HG11 VAL A 19 -3.707 -13.765 0.701 1.00 0.00 H ATOM 237 HG12 VAL A 19 -2.085 -13.363 0.085 1.00 0.00 H ATOM 238 HG13 VAL A 19 -2.536 -12.934 1.754 1.00 0.00 H ATOM 239 HG21 VAL A 19 -1.508 -10.849 -0.297 1.00 0.00 H ATOM 240 HG22 VAL A 19 -2.760 -9.638 0.072 1.00 0.00 H ATOM 241 HG23 VAL A 19 -1.990 -10.553 1.392 1.00 0.00 H ATOM 242 H VAL A 19 -2.699 -10.612 -2.527 1.00 0.00 H ATOM 243 N LYS A 20 -6.056 -10.788 -0.605 1.00 0.00 N ATOM 244 CA LYS A 20 -7.196 -9.901 -0.759 1.00 0.00 C ATOM 245 C LYS A 20 -7.163 -8.840 0.342 1.00 0.00 C ATOM 246 O LYS A 20 -6.881 -9.148 1.499 1.00 0.00 O ATOM 247 CB LYS A 20 -8.497 -10.702 -0.803 1.00 0.00 C ATOM 248 CG LYS A 20 -8.384 -11.879 -1.774 1.00 0.00 C ATOM 249 CD LYS A 20 -9.516 -12.884 -1.552 1.00 0.00 C ATOM 250 CE LYS A 20 -9.044 -14.059 -0.694 1.00 0.00 C ATOM 251 NZ LYS A 20 -10.120 -14.497 0.223 1.00 0.00 N ATOM 252 HA LYS A 20 -7.142 -9.374 -1.712 1.00 0.00 H ATOM 253 HB2 LYS A 20 -8.716 -11.082 0.195 1.00 0.00 H ATOM 254 HB3 LYS A 20 -9.307 -10.049 -1.127 1.00 0.00 H ATOM 255 HG2 LYS A 20 -8.435 -11.504 -2.796 1.00 0.00 H ATOM 256 HG3 LYS A 20 -7.428 -12.379 -1.619 1.00 0.00 H ATOM 257 HD2 LYS A 20 -10.343 -12.384 -1.049 1.00 0.00 H ATOM 258 HD3 LYS A 20 -9.854 -13.260 -2.518 1.00 0.00 H ATOM 259 HE2 LYS A 20 -8.177 -13.751 -0.109 1.00 0.00 H ATOM 260 HE3 LYS A 20 -8.766 -14.889 -1.344 1.00 0.00 H ATOM 261 HZ1 LYS A 20 -10.385 -13.708 0.846 1.00 0.00 H ATOM 262 HZ2 LYS A 20 -10.947 -14.795 -0.332 1.00 0.00 H ATOM 263 HZ3 LYS A 20 -9.781 -15.295 0.797 1.00 0.00 H ATOM 264 H LYS A 20 -6.013 -11.429 0.213 1.00 0.00 H ATOM 265 N VAL A 21 -7.457 -7.611 -0.055 1.00 0.00 N ATOM 266 CA VAL A 21 -7.465 -6.502 0.884 1.00 0.00 C ATOM 267 C VAL A 21 -8.893 -5.978 1.037 1.00 0.00 C ATOM 268 O VAL A 21 -9.434 -5.359 0.121 1.00 0.00 O ATOM 269 CB VAL A 21 -6.478 -5.424 0.430 1.00 0.00 C ATOM 270 CG1 VAL A 21 -6.595 -4.171 1.302 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.045 -5.959 0.428 1.00 0.00 C ATOM 272 HA VAL A 21 -7.134 -6.834 1.868 1.00 0.00 H ATOM 273 HB VAL A 21 -6.733 -5.145 -0.593 1.00 0.00 H ATOM 274 HG11 VAL A 21 -7.607 -3.772 1.229 1.00 0.00 H ATOM 275 HG12 VAL A 21 -6.379 -4.430 2.339 1.00 0.00 H ATOM 276 HG13 VAL A 21 -5.882 -3.422 0.957 1.00 0.00 H ATOM 277 HG21 VAL A 21 -4.776 -6.278 1.435 1.00 0.00 H ATOM 278 HG22 VAL A 21 -4.976 -6.807 -0.254 1.00 0.00 H ATOM 279 HG23 VAL A 21 -4.365 -5.172 0.101 1.00 0.00 H ATOM 280 H VAL A 21 -7.686 -7.437 -1.055 1.00 0.00 H ATOM 281 N ALA A 22 -9.467 -6.248 2.201 1.00 0.00 N ATOM 282 CA ALA A 22 -10.824 -5.811 2.486 1.00 0.00 C ATOM 283 C ALA A 22 -10.786 -4.411 3.103 1.00 0.00 C ATOM 284 O ALA A 22 -10.021 -4.160 4.033 1.00 0.00 O ATOM 285 CB ALA A 22 -11.510 -6.832 3.395 1.00 0.00 C ATOM 286 HA ALA A 22 -11.408 -5.750 1.568 1.00 0.00 H ATOM 287 HB1 ALA A 22 -11.537 -7.800 2.896 1.00 0.00 H ATOM 288 HB2 ALA A 22 -10.953 -6.918 4.328 1.00 0.00 H ATOM 289 HB3 ALA A 22 -12.527 -6.502 3.607 1.00 0.00 H ATOM 290 H ALA A 22 -8.939 -6.781 2.921 1.00 0.00 H ATOM 291 N GLY A 23 -11.621 -3.537 2.561 1.00 0.00 N ATOM 292 CA GLY A 23 -11.694 -2.171 3.047 1.00 0.00 C ATOM 293 C GLY A 23 -13.058 -1.883 3.676 1.00 0.00 C ATOM 294 O GLY A 23 -13.998 -1.501 2.981 1.00 0.00 O ATOM 295 HA3 GLY A 23 -11.534 -1.487 2.213 1.00 0.00 H ATOM 296 HA2 GLY A 23 -10.917 -2.017 3.795 1.00 0.00 H ATOM 297 H GLY A 23 -12.234 -3.834 1.775 1.00 0.00 H ATOM 298 N ALA A 24 -13.123 -2.077 4.986 1.00 0.00 N ATOM 299 CA ALA A 24 -14.358 -1.843 5.716 1.00 0.00 C ATOM 300 C ALA A 24 -14.387 -0.395 6.210 1.00 0.00 C ATOM 301 O ALA A 24 -13.469 0.049 6.898 1.00 0.00 O ATOM 302 CB ALA A 24 -14.472 -2.852 6.861 1.00 0.00 C ATOM 303 HA ALA A 24 -15.221 -1.987 5.067 1.00 0.00 H ATOM 304 HB1 ALA A 24 -14.476 -3.863 6.454 1.00 0.00 H ATOM 305 HB2 ALA A 24 -13.623 -2.733 7.534 1.00 0.00 H ATOM 306 HB3 ALA A 24 -15.398 -2.676 7.408 1.00 0.00 H ATOM 307 H ALA A 24 -12.278 -2.401 5.499 1.00 0.00 H ATOM 308 N GLY A 25 -15.452 0.303 5.838 1.00 0.00 N ATOM 309 CA GLY A 25 -15.612 1.689 6.234 1.00 0.00 C ATOM 310 C GLY A 25 -14.667 2.599 5.448 1.00 0.00 C ATOM 311 O GLY A 25 -14.362 3.709 5.880 1.00 0.00 O ATOM 312 HA3 GLY A 25 -15.394 1.783 7.298 1.00 0.00 H ATOM 313 HA2 GLY A 25 -16.641 1.997 6.046 1.00 0.00 H ATOM 314 H GLY A 25 -16.183 -0.150 5.254 1.00 0.00 H ATOM 315 N LEU A 26 -14.226 2.094 4.303 1.00 0.00 N ATOM 316 CA LEU A 26 -13.321 2.844 3.451 1.00 0.00 C ATOM 317 C LEU A 26 -14.134 3.772 2.545 1.00 0.00 C ATOM 318 O LEU A 26 -15.143 4.334 2.971 1.00 0.00 O ATOM 319 CB LEU A 26 -12.394 1.898 2.688 1.00 0.00 C ATOM 320 CG LEU A 26 -10.946 2.363 2.527 1.00 0.00 C ATOM 321 CD1 LEU A 26 -10.191 1.475 1.533 1.00 0.00 C ATOM 322 CD2 LEU A 26 -10.885 3.841 2.134 1.00 0.00 C ATOM 323 HA LEU A 26 -12.667 3.475 4.053 1.00 0.00 H ATOM 324 HB2 LEU A 26 -12.382 0.945 3.216 1.00 0.00 H ATOM 325 HB3 LEU A 26 -12.811 1.754 1.691 1.00 0.00 H ATOM 326 HG LEU A 26 -10.447 2.264 3.491 1.00 0.00 H ATOM 327 HD21 LEU A 26 -11.407 3.986 1.188 1.00 0.00 H ATOM 328 HD22 LEU A 26 -11.362 4.442 2.909 1.00 0.00 H ATOM 329 HD23 LEU A 26 -9.844 4.144 2.026 1.00 0.00 H ATOM 330 HD11 LEU A 26 -10.190 0.447 1.894 1.00 0.00 H ATOM 331 HD12 LEU A 26 -10.683 1.520 0.561 1.00 0.00 H ATOM 332 HD13 LEU A 26 -9.164 1.829 1.438 1.00 0.00 H ATOM 333 H LEU A 26 -14.534 1.145 4.011 1.00 0.00 H ATOM 334 N GLN A 27 -13.663 3.906 1.315 1.00 0.00 N ATOM 335 CA GLN A 27 -14.334 4.758 0.345 1.00 0.00 C ATOM 336 C GLN A 27 -15.801 4.354 0.210 1.00 0.00 C ATOM 337 O GLN A 27 -16.143 3.514 -0.624 1.00 0.00 O ATOM 338 CB GLN A 27 -13.623 4.711 -1.008 1.00 0.00 C ATOM 339 CG GLN A 27 -12.352 5.562 -0.993 1.00 0.00 C ATOM 340 CD GLN A 27 -12.453 6.678 0.051 1.00 0.00 C ATOM 341 OE1 GLN A 27 -12.263 6.473 1.237 1.00 0.00 O ATOM 342 NE2 GLN A 27 -12.767 7.866 -0.458 1.00 0.00 N ATOM 343 HA GLN A 27 -14.294 5.787 0.703 1.00 0.00 H ATOM 344 HB2 GLN A 27 -13.358 3.678 -1.235 1.00 0.00 H ATOM 345 HB3 GLN A 27 -14.296 5.090 -1.777 1.00 0.00 H ATOM 346 HG2 GLN A 27 -11.499 4.926 -0.755 1.00 0.00 H ATOM 347 HG3 GLN A 27 -12.208 6.006 -1.978 1.00 0.00 H ATOM 348 HE22 GLN A 27 -12.916 7.970 -1.482 1.00 0.00 H ATOM 349 HE21 GLN A 27 -12.864 8.691 0.168 1.00 0.00 H ATOM 350 H GLN A 27 -12.801 3.395 1.038 1.00 0.00 H ATOM 351 N ALA A 28 -16.631 4.967 1.039 1.00 0.00 N ATOM 352 CA ALA A 28 -18.056 4.681 1.023 1.00 0.00 C ATOM 353 C ALA A 28 -18.613 4.971 -0.372 1.00 0.00 C ATOM 354 O ALA A 28 -19.143 6.052 -0.621 1.00 0.00 O ATOM 355 CB ALA A 28 -18.755 5.500 2.110 1.00 0.00 C ATOM 356 HA ALA A 28 -18.238 3.629 1.240 1.00 0.00 H ATOM 357 HB1 ALA A 28 -18.342 5.236 3.084 1.00 0.00 H ATOM 358 HB2 ALA A 28 -18.596 6.562 1.922 1.00 0.00 H ATOM 359 HB3 ALA A 28 -19.823 5.284 2.096 1.00 0.00 H ATOM 360 H ALA A 28 -16.257 5.665 1.713 1.00 0.00 H ATOM 361 N GLY A 29 -18.473 3.984 -1.247 1.00 0.00 N ATOM 362 CA GLY A 29 -18.956 4.120 -2.609 1.00 0.00 C ATOM 363 C GLY A 29 -17.975 4.930 -3.461 1.00 0.00 C ATOM 364 O GLY A 29 -18.224 5.170 -4.642 1.00 0.00 O ATOM 365 HA3 GLY A 29 -19.921 4.627 -2.596 1.00 0.00 H ATOM 366 HA2 GLY A 29 -19.074 3.129 -3.046 1.00 0.00 H ATOM 367 H GLY A 29 -18.011 3.100 -0.953 1.00 0.00 H ATOM 368 N THR A 30 -16.885 5.333 -2.827 1.00 0.00 N ATOM 369 CA THR A 30 -15.867 6.114 -3.511 1.00 0.00 C ATOM 370 C THR A 30 -14.836 5.190 -4.162 1.00 0.00 C ATOM 371 O THR A 30 -14.989 3.970 -4.142 1.00 0.00 O ATOM 372 CB THR A 30 -15.259 7.086 -2.499 1.00 0.00 C ATOM 373 OG1 THR A 30 -16.048 6.908 -1.327 1.00 0.00 O ATOM 374 CG2 THR A 30 -15.488 8.550 -2.882 1.00 0.00 C ATOM 375 HA THR A 30 -16.295 6.697 -4.326 1.00 0.00 H ATOM 376 HB THR A 30 -14.189 6.896 -2.413 1.00 0.00 H ATOM 377 HG1 THR A 30 -15.982 5.967 -1.026 1.00 0.00 H ATOM 378 HG23 THR A 30 -14.917 8.783 -3.780 1.00 0.00 H ATOM 379 HG21 THR A 30 -16.549 8.713 -3.072 1.00 0.00 H ATOM 380 HG22 THR A 30 -15.161 9.193 -2.065 1.00 0.00 H ATOM 381 H THR A 30 -16.755 5.087 -1.825 1.00 0.00 H ATOM 382 N ALA A 31 -13.808 5.809 -4.725 1.00 0.00 N ATOM 383 CA ALA A 31 -12.751 5.058 -5.381 1.00 0.00 C ATOM 384 C ALA A 31 -11.420 5.787 -5.192 1.00 0.00 C ATOM 385 O ALA A 31 -11.388 7.013 -5.099 1.00 0.00 O ATOM 386 CB ALA A 31 -13.105 4.860 -6.856 1.00 0.00 C ATOM 387 HA ALA A 31 -12.650 4.068 -4.935 1.00 0.00 H ATOM 388 HB1 ALA A 31 -14.043 4.310 -6.933 1.00 0.00 H ATOM 389 HB2 ALA A 31 -13.212 5.833 -7.336 1.00 0.00 H ATOM 390 HB3 ALA A 31 -12.311 4.297 -7.346 1.00 0.00 H ATOM 391 H ALA A 31 -13.757 6.847 -4.697 1.00 0.00 H ATOM 392 N TYR A 32 -10.354 5.004 -5.143 1.00 0.00 N ATOM 393 CA TYR A 32 -9.021 5.560 -4.968 1.00 0.00 C ATOM 394 C TYR A 32 -7.967 4.678 -5.637 1.00 0.00 C ATOM 395 O TYR A 32 -8.299 3.787 -6.416 1.00 0.00 O ATOM 396 CB TYR A 32 -8.769 5.582 -3.458 1.00 0.00 C ATOM 397 CG TYR A 32 -9.372 6.792 -2.743 1.00 0.00 C ATOM 398 CD1 TYR A 32 -9.691 7.928 -3.459 1.00 0.00 C ATOM 399 CD2 TYR A 32 -9.595 6.748 -1.384 1.00 0.00 C ATOM 400 CE1 TYR A 32 -10.257 9.068 -2.787 1.00 0.00 C ATOM 401 CE2 TYR A 32 -10.165 7.889 -0.710 1.00 0.00 C ATOM 402 CZ TYR A 32 -10.465 8.992 -1.445 1.00 0.00 C ATOM 403 OH TYR A 32 -11.001 10.069 -0.810 1.00 0.00 O ATOM 404 HA TYR A 32 -8.956 6.551 -5.417 1.00 0.00 H ATOM 405 HB3 TYR A 32 -7.692 5.586 -3.290 1.00 0.00 H ATOM 406 HB2 TYR A 32 -9.199 4.679 -3.025 1.00 0.00 H ATOM 407 HD2 TYR A 32 -9.341 5.852 -0.818 1.00 0.00 H ATOM 408 HE2 TYR A 32 -10.351 7.867 0.364 1.00 0.00 H ATOM 409 HE1 TYR A 32 -10.513 9.971 -3.341 1.00 0.00 H ATOM 410 HD1 TYR A 32 -9.514 7.962 -4.534 1.00 0.00 H ATOM 411 HH TYR A 32 -11.165 10.790 -1.468 1.00 0.00 H ATOM 412 H TYR A 32 -10.471 3.974 -5.231 1.00 0.00 H ATOM 413 N ASP A 33 -6.713 4.957 -5.311 1.00 0.00 N ATOM 414 CA ASP A 33 -5.607 4.202 -5.869 1.00 0.00 C ATOM 415 C ASP A 33 -4.982 3.333 -4.775 1.00 0.00 C ATOM 416 O ASP A 33 -4.338 3.848 -3.863 1.00 0.00 O ATOM 417 CB ASP A 33 -4.521 5.133 -6.412 1.00 0.00 C ATOM 418 CG ASP A 33 -4.869 5.838 -7.725 1.00 0.00 C ATOM 419 OD1 ASP A 33 -4.385 6.977 -7.902 1.00 0.00 O ATOM 420 OD2 ASP A 33 -5.611 5.222 -8.520 1.00 0.00 O ATOM 421 HA ASP A 33 -5.996 3.589 -6.682 1.00 0.00 H ATOM 422 HB2 ASP A 33 -4.323 5.897 -5.660 1.00 0.00 H ATOM 423 HB3 ASP A 33 -3.619 4.542 -6.574 1.00 0.00 H ATOM 424 H ASP A 33 -6.519 5.731 -4.644 1.00 0.00 H ATOM 425 N VAL A 34 -5.194 2.031 -4.904 1.00 0.00 N ATOM 426 CA VAL A 34 -4.661 1.088 -3.937 1.00 0.00 C ATOM 427 C VAL A 34 -3.174 0.863 -4.217 1.00 0.00 C ATOM 428 O VAL A 34 -2.761 0.789 -5.374 1.00 0.00 O ATOM 429 CB VAL A 34 -5.475 -0.207 -3.964 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.565 -1.426 -4.118 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.351 -0.330 -2.714 1.00 0.00 C ATOM 432 HA VAL A 34 -4.746 1.489 -2.927 1.00 0.00 H ATOM 433 HB VAL A 34 -6.133 -0.170 -4.832 1.00 0.00 H ATOM 434 HG11 VAL A 34 -4.006 -1.345 -5.050 1.00 0.00 H ATOM 435 HG12 VAL A 34 -3.870 -1.468 -3.279 1.00 0.00 H ATOM 436 HG13 VAL A 34 -5.172 -2.331 -4.134 1.00 0.00 H ATOM 437 HG21 VAL A 34 -5.718 -0.333 -1.827 1.00 0.00 H ATOM 438 HG22 VAL A 34 -7.038 0.515 -2.669 1.00 0.00 H ATOM 439 HG23 VAL A 34 -6.919 -1.259 -2.760 1.00 0.00 H ATOM 440 H VAL A 34 -5.750 1.680 -5.710 1.00 0.00 H ATOM 441 N GLY A 35 -2.410 0.764 -3.139 1.00 0.00 N ATOM 442 CA GLY A 35 -0.977 0.550 -3.255 1.00 0.00 C ATOM 443 C GLY A 35 -0.296 0.643 -1.887 1.00 0.00 C ATOM 444 O GLY A 35 -0.856 1.207 -0.949 1.00 0.00 O ATOM 445 HA3 GLY A 35 -0.555 1.308 -3.916 1.00 0.00 H ATOM 446 HA2 GLY A 35 -0.797 -0.439 -3.677 1.00 0.00 H ATOM 447 H GLY A 35 -2.842 0.841 -2.196 1.00 0.00 H ATOM 448 N GLN A 36 0.902 0.082 -1.819 1.00 0.00 N ATOM 449 CA GLN A 36 1.665 0.097 -0.583 1.00 0.00 C ATOM 450 C GLN A 36 2.620 1.292 -0.561 1.00 0.00 C ATOM 451 O GLN A 36 3.679 1.256 -1.185 1.00 0.00 O ATOM 452 CB GLN A 36 2.427 -1.216 -0.394 1.00 0.00 C ATOM 453 CG GLN A 36 1.751 -2.358 -1.156 1.00 0.00 C ATOM 454 CD GLN A 36 2.727 -3.017 -2.134 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.967 -4.212 -2.098 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.272 -2.174 -3.004 1.00 0.00 N ATOM 457 HA GLN A 36 0.968 0.199 0.249 1.00 0.00 H ATOM 458 HB2 GLN A 36 3.445 -1.094 -0.764 1.00 0.00 H ATOM 459 HB3 GLN A 36 2.455 -1.463 0.667 1.00 0.00 H ATOM 460 HG2 GLN A 36 1.401 -3.105 -0.443 1.00 0.00 H ATOM 461 HG3 GLN A 36 0.901 -1.962 -1.712 1.00 0.00 H ATOM 462 HE22 GLN A 36 3.021 -1.165 -2.977 1.00 0.00 H ATOM 463 HE21 GLN A 36 3.949 -2.523 -3.712 1.00 0.00 H ATOM 464 H GLN A 36 1.302 -0.376 -2.663 1.00 0.00 H ATOM 465 N CYS A 37 2.209 2.322 0.163 1.00 0.00 N ATOM 466 CA CYS A 37 3.014 3.527 0.274 1.00 0.00 C ATOM 467 C CYS A 37 3.624 3.571 1.675 1.00 0.00 C ATOM 468 O CYS A 37 3.039 3.057 2.628 1.00 0.00 O ATOM 469 CB CYS A 37 2.198 4.785 -0.033 1.00 0.00 C ATOM 470 SG CYS A 37 3.185 6.233 -0.557 1.00 0.00 S ATOM 471 HA CYS A 37 3.812 3.502 -0.468 1.00 0.00 H ATOM 472 HB2 CYS A 37 1.646 5.059 0.866 1.00 0.00 H ATOM 473 HB3 CYS A 37 1.495 4.547 -0.831 1.00 0.00 H ATOM 474 H CYS A 37 1.297 2.268 0.659 1.00 0.00 H ATOM 475 N ALA A 38 4.793 4.189 1.759 1.00 0.00 N ATOM 476 CA ALA A 38 5.489 4.306 3.029 1.00 0.00 C ATOM 477 C ALA A 38 6.831 5.004 2.809 1.00 0.00 C ATOM 478 O ALA A 38 7.269 5.171 1.671 1.00 0.00 O ATOM 479 CB ALA A 38 5.650 2.916 3.655 1.00 0.00 C ATOM 480 HA ALA A 38 4.912 4.913 3.727 1.00 0.00 H ATOM 481 HB1 ALA A 38 4.666 2.477 3.819 1.00 0.00 H ATOM 482 HB2 ALA A 38 6.226 2.280 2.982 1.00 0.00 H ATOM 483 HB3 ALA A 38 6.172 3.006 4.607 1.00 0.00 H ATOM 484 H ALA A 38 5.219 4.597 0.902 1.00 0.00 H ATOM 485 N TRP A 39 7.451 5.392 3.915 1.00 0.00 N ATOM 486 CA TRP A 39 8.735 6.068 3.857 1.00 0.00 C ATOM 487 C TRP A 39 9.778 5.062 3.365 1.00 0.00 C ATOM 488 O TRP A 39 10.116 4.117 4.075 1.00 0.00 O ATOM 489 CB TRP A 39 9.092 6.686 5.210 1.00 0.00 C ATOM 490 CG TRP A 39 7.877 7.089 6.050 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.213 6.348 6.946 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.207 8.366 6.033 1.00 0.00 C ATOM 493 NE1 TRP A 39 6.167 7.051 7.509 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.163 8.318 6.934 1.00 0.00 C ATOM 495 CE3 TRP A 39 7.472 9.523 5.281 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.301 9.397 7.169 1.00 0.00 C ATOM 497 CZ3 TRP A 39 6.603 10.592 5.528 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.546 10.561 6.431 1.00 0.00 C ATOM 499 HA TRP A 39 8.699 6.903 3.157 1.00 0.00 H ATOM 500 HB2 TRP A 39 9.675 5.959 5.776 1.00 0.00 H ATOM 501 HB3 TRP A 39 9.697 7.575 5.032 1.00 0.00 H ATOM 502 HE1 TRP A 39 5.505 6.699 8.229 1.00 0.00 H ATOM 503 HD1 TRP A 39 7.467 5.319 7.199 1.00 0.00 H ATOM 504 HZ2 TRP A 39 4.484 9.334 7.888 1.00 0.00 H ATOM 505 HH2 TRP A 39 4.912 11.438 6.563 1.00 0.00 H ATOM 506 HZ3 TRP A 39 6.767 11.515 4.972 1.00 0.00 H ATOM 507 HE3 TRP A 39 8.289 9.583 4.562 1.00 0.00 H ATOM 508 H TRP A 39 7.011 5.209 4.839 1.00 0.00 H ATOM 509 N VAL A 40 10.258 5.299 2.152 1.00 0.00 N ATOM 510 CA VAL A 40 11.254 4.424 1.559 1.00 0.00 C ATOM 511 C VAL A 40 12.648 4.992 1.827 1.00 0.00 C ATOM 512 O VAL A 40 13.554 4.261 2.223 1.00 0.00 O ATOM 513 CB VAL A 40 10.962 4.235 0.067 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.866 5.129 -0.785 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.105 2.767 -0.335 1.00 0.00 C ATOM 516 HA VAL A 40 11.213 3.434 2.013 1.00 0.00 H ATOM 517 HB VAL A 40 9.930 4.533 -0.115 1.00 0.00 H ATOM 518 HG11 VAL A 40 11.693 6.173 -0.523 1.00 0.00 H ATOM 519 HG12 VAL A 40 12.909 4.874 -0.597 1.00 0.00 H ATOM 520 HG13 VAL A 40 11.638 4.975 -1.840 1.00 0.00 H ATOM 521 HG21 VAL A 40 12.122 2.433 -0.131 1.00 0.00 H ATOM 522 HG22 VAL A 40 10.402 2.164 0.240 1.00 0.00 H ATOM 523 HG23 VAL A 40 10.892 2.661 -1.399 1.00 0.00 H ATOM 524 H VAL A 40 9.916 6.123 1.618 1.00 0.00 H ATOM 525 N ASP A 41 12.779 6.291 1.600 1.00 0.00 N ATOM 526 CA ASP A 41 14.046 6.965 1.812 1.00 0.00 C ATOM 527 C ASP A 41 14.143 7.415 3.272 1.00 0.00 C ATOM 528 O ASP A 41 13.401 6.929 4.125 1.00 0.00 O ATOM 529 CB ASP A 41 14.166 8.207 0.928 1.00 0.00 C ATOM 530 CG ASP A 41 15.483 8.330 0.160 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.491 9.083 -0.838 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.453 7.668 0.586 1.00 0.00 O ATOM 533 HA ASP A 41 14.844 6.266 1.562 1.00 0.00 H ATOM 534 HB2 ASP A 41 13.352 8.186 0.203 1.00 0.00 H ATOM 535 HB3 ASP A 41 14.062 9.086 1.564 1.00 0.00 H ATOM 536 H ASP A 41 11.960 6.836 1.264 1.00 0.00 H ATOM 537 N THR A 42 15.063 8.336 3.516 1.00 0.00 N ATOM 538 CA THR A 42 15.267 8.855 4.857 1.00 0.00 C ATOM 539 C THR A 42 14.025 9.615 5.328 1.00 0.00 C ATOM 540 O THR A 42 14.015 10.846 5.343 1.00 0.00 O ATOM 541 CB THR A 42 16.534 9.710 4.847 1.00 0.00 C ATOM 542 OG1 THR A 42 17.594 8.761 4.768 1.00 0.00 O ATOM 543 CG2 THR A 42 16.771 10.423 6.180 1.00 0.00 C ATOM 544 HA THR A 42 15.409 8.048 5.576 1.00 0.00 H ATOM 545 HB THR A 42 16.466 10.448 4.048 1.00 0.00 H ATOM 546 HG1 THR A 42 18.462 9.237 4.757 1.00 0.00 H ATOM 547 HG23 THR A 42 15.999 11.177 6.329 1.00 0.00 H ATOM 548 HG21 THR A 42 16.732 9.696 6.991 1.00 0.00 H ATOM 549 HG22 THR A 42 17.750 10.902 6.166 1.00 0.00 H ATOM 550 H THR A 42 15.649 8.693 2.735 1.00 0.00 H ATOM 551 N GLY A 43 13.008 8.853 5.700 1.00 0.00 N ATOM 552 CA GLY A 43 11.765 9.438 6.171 1.00 0.00 C ATOM 553 C GLY A 43 10.984 10.069 5.015 1.00 0.00 C ATOM 554 O GLY A 43 10.048 10.835 5.238 1.00 0.00 O ATOM 555 HA3 GLY A 43 11.990 10.206 6.911 1.00 0.00 H ATOM 556 HA2 GLY A 43 11.156 8.660 6.631 1.00 0.00 H ATOM 557 H GLY A 43 13.101 7.818 5.654 1.00 0.00 H ATOM 558 N VAL A 44 11.401 9.723 3.805 1.00 0.00 N ATOM 559 CA VAL A 44 10.752 10.246 2.614 1.00 0.00 C ATOM 560 C VAL A 44 9.614 9.308 2.204 1.00 0.00 C ATOM 561 O VAL A 44 9.851 8.153 1.857 1.00 0.00 O ATOM 562 CB VAL A 44 11.784 10.452 1.505 1.00 0.00 C ATOM 563 CG1 VAL A 44 11.158 11.149 0.296 1.00 0.00 C ATOM 564 CG2 VAL A 44 12.996 11.233 2.019 1.00 0.00 C ATOM 565 HA VAL A 44 10.312 11.222 2.817 1.00 0.00 H ATOM 566 HB VAL A 44 12.130 9.469 1.185 1.00 0.00 H ATOM 567 HG11 VAL A 44 10.344 10.538 -0.093 1.00 0.00 H ATOM 568 HG12 VAL A 44 10.771 12.122 0.599 1.00 0.00 H ATOM 569 HG13 VAL A 44 11.915 11.282 -0.477 1.00 0.00 H ATOM 570 HG21 VAL A 44 12.671 12.209 2.380 1.00 0.00 H ATOM 571 HG22 VAL A 44 13.464 10.680 2.834 1.00 0.00 H ATOM 572 HG23 VAL A 44 13.713 11.364 1.208 1.00 0.00 H ATOM 573 H VAL A 44 12.203 9.069 3.707 1.00 0.00 H ATOM 574 N LEU A 45 8.402 9.842 2.259 1.00 0.00 N ATOM 575 CA LEU A 45 7.227 9.066 1.899 1.00 0.00 C ATOM 576 C LEU A 45 7.304 8.693 0.417 1.00 0.00 C ATOM 577 O LEU A 45 7.086 9.538 -0.451 1.00 0.00 O ATOM 578 CB LEU A 45 5.950 9.822 2.277 1.00 0.00 C ATOM 579 CG LEU A 45 4.670 8.986 2.337 1.00 0.00 C ATOM 580 CD1 LEU A 45 4.426 8.457 3.753 1.00 0.00 C ATOM 581 CD2 LEU A 45 3.473 9.777 1.806 1.00 0.00 C ATOM 582 HA LEU A 45 7.197 8.134 2.463 1.00 0.00 H ATOM 583 HB2 LEU A 45 6.104 10.268 3.260 1.00 0.00 H ATOM 584 HB3 LEU A 45 5.799 10.612 1.541 1.00 0.00 H ATOM 585 HG LEU A 45 4.797 8.120 1.687 1.00 0.00 H ATOM 586 HD21 LEU A 45 3.334 10.673 2.411 1.00 0.00 H ATOM 587 HD22 LEU A 45 3.657 10.061 0.770 1.00 0.00 H ATOM 588 HD23 LEU A 45 2.577 9.158 1.861 1.00 0.00 H ATOM 589 HD11 LEU A 45 5.267 7.833 4.056 1.00 0.00 H ATOM 590 HD12 LEU A 45 4.329 9.297 4.441 1.00 0.00 H ATOM 591 HD13 LEU A 45 3.510 7.867 3.766 1.00 0.00 H ATOM 592 H LEU A 45 8.290 10.830 2.564 1.00 0.00 H ATOM 593 N ALA A 46 7.612 7.428 0.173 1.00 0.00 N ATOM 594 CA ALA A 46 7.718 6.932 -1.188 1.00 0.00 C ATOM 595 C ALA A 46 6.759 5.755 -1.375 1.00 0.00 C ATOM 596 O ALA A 46 6.666 4.884 -0.512 1.00 0.00 O ATOM 597 CB ALA A 46 9.173 6.553 -1.481 1.00 0.00 C ATOM 598 HA ALA A 46 7.432 7.705 -1.901 1.00 0.00 H ATOM 599 HB1 ALA A 46 9.807 7.432 -1.363 1.00 0.00 H ATOM 600 HB2 ALA A 46 9.492 5.777 -0.785 1.00 0.00 H ATOM 601 HB3 ALA A 46 9.252 6.181 -2.503 1.00 0.00 H ATOM 602 H ALA A 46 7.781 6.780 0.969 1.00 0.00 H ATOM 603 N CYS A 47 6.072 5.768 -2.508 1.00 0.00 N ATOM 604 CA CYS A 47 5.123 4.712 -2.819 1.00 0.00 C ATOM 605 C CYS A 47 5.814 3.703 -3.737 1.00 0.00 C ATOM 606 O CYS A 47 6.777 4.040 -4.426 1.00 0.00 O ATOM 607 CB CYS A 47 3.841 5.269 -3.443 1.00 0.00 C ATOM 608 SG CYS A 47 3.094 6.672 -2.536 1.00 0.00 S ATOM 609 HA CYS A 47 4.814 4.214 -1.900 1.00 0.00 H ATOM 610 HB2 CYS A 47 3.107 4.464 -3.487 1.00 0.00 H ATOM 611 HB3 CYS A 47 4.073 5.603 -4.454 1.00 0.00 H ATOM 612 H CYS A 47 6.214 6.545 -3.184 1.00 0.00 H ATOM 613 N ASN A 48 5.293 2.483 -3.722 1.00 0.00 N ATOM 614 CA ASN A 48 5.846 1.423 -4.545 1.00 0.00 C ATOM 615 C ASN A 48 5.336 1.576 -5.979 1.00 0.00 C ATOM 616 O ASN A 48 4.351 2.275 -6.221 1.00 0.00 O ATOM 617 CB ASN A 48 5.414 0.047 -4.035 1.00 0.00 C ATOM 618 CG ASN A 48 6.257 -0.381 -2.833 1.00 0.00 C ATOM 619 OD1 ASN A 48 6.529 -1.550 -2.618 1.00 0.00 O ATOM 620 ND2 ASN A 48 6.654 0.629 -2.063 1.00 0.00 N ATOM 621 HA ASN A 48 6.933 1.498 -4.505 1.00 0.00 H ATOM 622 HB2 ASN A 48 4.366 0.089 -3.739 1.00 0.00 H ATOM 623 HB3 ASN A 48 5.535 -0.684 -4.834 1.00 0.00 H ATOM 624 HD22 ASN A 48 6.386 1.604 -2.305 1.00 0.00 H ATOM 625 HD21 ASN A 48 7.233 0.443 -1.219 1.00 0.00 H ATOM 626 H ASN A 48 4.476 2.283 -3.111 1.00 0.00 H ATOM 627 N PRO A 49 6.044 0.896 -6.918 1.00 0.00 N ATOM 628 CA PRO A 49 5.675 0.952 -8.322 1.00 0.00 C ATOM 629 C PRO A 49 4.432 0.100 -8.596 1.00 0.00 C ATOM 630 O PRO A 49 3.827 0.201 -9.660 1.00 0.00 O ATOM 631 CB PRO A 49 6.903 0.466 -9.075 1.00 0.00 C ATOM 632 CG PRO A 49 7.748 -0.279 -8.053 1.00 0.00 C ATOM 633 CD PRO A 49 7.216 0.060 -6.670 1.00 0.00 C ATOM 634 HA PRO A 49 5.400 1.957 -8.643 1.00 0.00 H ATOM 635 HD3 PRO A 49 6.936 -0.846 -6.133 1.00 0.00 H ATOM 636 HD2 PRO A 49 7.963 0.606 -6.094 1.00 0.00 H ATOM 637 HG3 PRO A 49 8.789 0.032 -8.136 1.00 0.00 H ATOM 638 HG2 PRO A 49 7.676 -1.353 -8.225 1.00 0.00 H ATOM 639 HB2 PRO A 49 6.612 -0.201 -9.886 1.00 0.00 H ATOM 640 HB3 PRO A 49 7.458 1.311 -9.483 1.00 0.00 H ATOM 641 N ALA A 50 4.091 -0.722 -7.613 1.00 0.00 N ATOM 642 CA ALA A 50 2.932 -1.591 -7.734 1.00 0.00 C ATOM 643 C ALA A 50 1.818 -1.078 -6.817 1.00 0.00 C ATOM 644 O ALA A 50 0.848 -1.787 -6.556 1.00 0.00 O ATOM 645 CB ALA A 50 3.337 -3.029 -7.409 1.00 0.00 C ATOM 646 HA ALA A 50 2.550 -1.582 -8.755 1.00 0.00 H ATOM 647 HB1 ALA A 50 4.110 -3.354 -8.106 1.00 0.00 H ATOM 648 HB2 ALA A 50 3.722 -3.075 -6.390 1.00 0.00 H ATOM 649 HB3 ALA A 50 2.467 -3.680 -7.500 1.00 0.00 H ATOM 650 H ALA A 50 4.661 -0.745 -6.743 1.00 0.00 H ATOM 651 N ASP A 51 1.995 0.152 -6.355 1.00 0.00 N ATOM 652 CA ASP A 51 1.016 0.767 -5.474 1.00 0.00 C ATOM 653 C ASP A 51 -0.058 1.459 -6.317 1.00 0.00 C ATOM 654 O ASP A 51 -0.877 2.209 -5.789 1.00 0.00 O ATOM 655 CB ASP A 51 1.669 1.824 -4.581 1.00 0.00 C ATOM 656 CG ASP A 51 0.929 3.161 -4.516 1.00 0.00 C ATOM 657 OD1 ASP A 51 0.182 3.350 -3.531 1.00 0.00 O ATOM 658 OD2 ASP A 51 1.127 3.967 -5.451 1.00 0.00 O ATOM 659 HA ASP A 51 0.583 -0.015 -4.851 1.00 0.00 H ATOM 660 HB2 ASP A 51 1.731 1.422 -3.570 1.00 0.00 H ATOM 661 HB3 ASP A 51 2.674 2.011 -4.958 1.00 0.00 H ATOM 662 H ASP A 51 2.846 0.684 -6.627 1.00 0.00 H ATOM 663 N PHE A 52 -0.020 1.179 -7.611 1.00 0.00 N ATOM 664 CA PHE A 52 -0.982 1.764 -8.531 1.00 0.00 C ATOM 665 C PHE A 52 -2.009 0.726 -8.983 1.00 0.00 C ATOM 666 O PHE A 52 -1.793 0.018 -9.964 1.00 0.00 O ATOM 667 CB PHE A 52 -0.194 2.249 -9.751 1.00 0.00 C ATOM 668 CG PHE A 52 1.221 2.731 -9.427 1.00 0.00 C ATOM 669 CD1 PHE A 52 1.446 3.482 -8.316 1.00 0.00 C ATOM 670 CD2 PHE A 52 2.255 2.407 -10.249 1.00 0.00 C ATOM 671 CE1 PHE A 52 2.760 3.930 -8.014 1.00 0.00 C ATOM 672 CE2 PHE A 52 3.567 2.854 -9.948 1.00 0.00 C ATOM 673 CZ PHE A 52 3.793 3.605 -8.837 1.00 0.00 C ATOM 674 HA PHE A 52 -1.518 2.577 -8.042 1.00 0.00 H ATOM 675 HB2 PHE A 52 -0.122 1.426 -10.462 1.00 0.00 H ATOM 676 HB3 PHE A 52 -0.741 3.074 -10.207 1.00 0.00 H ATOM 677 HD2 PHE A 52 2.075 1.804 -11.139 1.00 0.00 H ATOM 678 HE2 PHE A 52 4.395 2.595 -10.608 1.00 0.00 H ATOM 679 HZ PHE A 52 4.802 3.947 -8.606 1.00 0.00 H ATOM 680 HE1 PHE A 52 2.940 4.533 -7.124 1.00 0.00 H ATOM 681 HD1 PHE A 52 0.618 3.741 -7.657 1.00 0.00 H ATOM 682 H PHE A 52 0.708 0.531 -7.974 1.00 0.00 H ATOM 683 N SER A 53 -3.108 0.668 -8.245 1.00 0.00 N ATOM 684 CA SER A 53 -4.172 -0.271 -8.557 1.00 0.00 C ATOM 685 C SER A 53 -5.520 0.296 -8.111 1.00 0.00 C ATOM 686 O SER A 53 -5.935 0.096 -6.970 1.00 0.00 O ATOM 687 CB SER A 53 -3.921 -1.628 -7.894 1.00 0.00 C ATOM 688 OG SER A 53 -5.013 -2.525 -8.082 1.00 0.00 O ATOM 689 HA SER A 53 -4.189 -0.421 -9.636 1.00 0.00 H ATOM 690 HB2 SER A 53 -3.771 -1.475 -6.825 1.00 0.00 H ATOM 691 HB3 SER A 53 -3.023 -2.070 -8.326 1.00 0.00 H ATOM 692 HG SER A 53 -5.832 -2.134 -7.686 1.00 0.00 H ATOM 693 H SER A 53 -3.211 1.305 -7.429 1.00 0.00 H ATOM 694 N SER A 54 -6.169 0.994 -9.032 1.00 0.00 N ATOM 695 CA SER A 54 -7.460 1.591 -8.746 1.00 0.00 C ATOM 696 C SER A 54 -8.241 0.710 -7.770 1.00 0.00 C ATOM 697 O SER A 54 -8.090 -0.511 -7.774 1.00 0.00 O ATOM 698 CB SER A 54 -8.265 1.804 -10.031 1.00 0.00 C ATOM 699 OG SER A 54 -8.338 0.617 -10.817 1.00 0.00 O ATOM 700 HA SER A 54 -7.292 2.566 -8.289 1.00 0.00 H ATOM 701 HB2 SER A 54 -7.788 2.588 -10.620 1.00 0.00 H ATOM 702 HB3 SER A 54 -9.276 2.114 -9.766 1.00 0.00 H ATOM 703 HG SER A 54 -8.865 0.797 -11.636 1.00 0.00 H ATOM 704 H SER A 54 -5.746 1.116 -9.974 1.00 0.00 H ATOM 705 N VAL A 55 -9.061 1.361 -6.959 1.00 0.00 N ATOM 706 CA VAL A 55 -9.865 0.651 -5.980 1.00 0.00 C ATOM 707 C VAL A 55 -11.191 1.390 -5.784 1.00 0.00 C ATOM 708 O VAL A 55 -11.278 2.592 -6.025 1.00 0.00 O ATOM 709 CB VAL A 55 -9.078 0.483 -4.678 1.00 0.00 C ATOM 710 CG1 VAL A 55 -9.399 1.608 -3.693 1.00 0.00 C ATOM 711 CG2 VAL A 55 -9.344 -0.890 -4.052 1.00 0.00 C ATOM 712 HA VAL A 55 -10.100 -0.353 -6.335 1.00 0.00 H ATOM 713 HB VAL A 55 -8.016 0.543 -4.917 1.00 0.00 H ATOM 714 HG11 VAL A 55 -9.135 2.567 -4.140 1.00 0.00 H ATOM 715 HG12 VAL A 55 -10.464 1.594 -3.462 1.00 0.00 H ATOM 716 HG13 VAL A 55 -8.826 1.462 -2.778 1.00 0.00 H ATOM 717 HG21 VAL A 55 -10.408 -0.989 -3.835 1.00 0.00 H ATOM 718 HG22 VAL A 55 -9.040 -1.671 -4.749 1.00 0.00 H ATOM 719 HG23 VAL A 55 -8.773 -0.984 -3.128 1.00 0.00 H ATOM 720 H VAL A 55 -9.130 2.397 -7.024 1.00 0.00 H ATOM 721 N THR A 56 -12.192 0.639 -5.348 1.00 0.00 N ATOM 722 CA THR A 56 -13.509 1.206 -5.118 1.00 0.00 C ATOM 723 C THR A 56 -14.242 0.426 -4.025 1.00 0.00 C ATOM 724 O THR A 56 -14.325 -0.800 -4.081 1.00 0.00 O ATOM 725 CB THR A 56 -14.256 1.227 -6.452 1.00 0.00 C ATOM 726 OG1 THR A 56 -14.387 2.613 -6.754 1.00 0.00 O ATOM 727 CG2 THR A 56 -15.699 0.736 -6.325 1.00 0.00 C ATOM 728 HA THR A 56 -13.439 2.230 -4.752 1.00 0.00 H ATOM 729 HB THR A 56 -13.725 0.607 -7.174 1.00 0.00 H ATOM 730 HG1 THR A 56 -14.898 3.060 -6.033 1.00 0.00 H ATOM 731 HG23 THR A 56 -15.700 -0.329 -6.092 1.00 0.00 H ATOM 732 HG21 THR A 56 -16.199 1.285 -5.527 1.00 0.00 H ATOM 733 HG22 THR A 56 -16.223 0.903 -7.266 1.00 0.00 H ATOM 734 H THR A 56 -12.032 -0.373 -5.168 1.00 0.00 H ATOM 735 N ALA A 57 -14.755 1.169 -3.054 1.00 0.00 N ATOM 736 CA ALA A 57 -15.479 0.564 -1.949 1.00 0.00 C ATOM 737 C ALA A 57 -16.982 0.734 -2.175 1.00 0.00 C ATOM 738 O ALA A 57 -17.430 1.787 -2.625 1.00 0.00 O ATOM 739 CB ALA A 57 -15.013 1.185 -0.631 1.00 0.00 C ATOM 740 HA ALA A 57 -15.273 -0.505 -1.896 1.00 0.00 H ATOM 741 HB1 ALA A 57 -13.945 1.009 -0.505 1.00 0.00 H ATOM 742 HB2 ALA A 57 -15.206 2.258 -0.648 1.00 0.00 H ATOM 743 HB3 ALA A 57 -15.557 0.730 0.196 1.00 0.00 H ATOM 744 H ALA A 57 -14.637 2.202 -3.084 1.00 0.00 H ATOM 745 N ASP A 58 -17.720 -0.318 -1.852 1.00 0.00 N ATOM 746 CA ASP A 58 -19.163 -0.297 -2.012 1.00 0.00 C ATOM 747 C ASP A 58 -19.758 0.790 -1.115 1.00 0.00 C ATOM 748 O ASP A 58 -19.123 1.221 -0.154 1.00 0.00 O ATOM 749 CB ASP A 58 -19.783 -1.637 -1.605 1.00 0.00 C ATOM 750 CG ASP A 58 -18.902 -2.860 -1.864 1.00 0.00 C ATOM 751 OD1 ASP A 58 -19.254 -3.935 -1.329 1.00 0.00 O ATOM 752 OD2 ASP A 58 -17.898 -2.695 -2.591 1.00 0.00 O ATOM 753 HA ASP A 58 -19.381 -0.102 -3.062 1.00 0.00 H ATOM 754 HB2 ASP A 58 -20.004 -1.598 -0.538 1.00 0.00 H ATOM 755 HB3 ASP A 58 -20.711 -1.764 -2.162 1.00 0.00 H ATOM 756 H ASP A 58 -17.259 -1.172 -1.478 1.00 0.00 H ATOM 757 N ALA A 59 -20.968 1.203 -1.462 1.00 0.00 N ATOM 758 CA ALA A 59 -21.653 2.232 -0.700 1.00 0.00 C ATOM 759 C ALA A 59 -21.430 1.989 0.794 1.00 0.00 C ATOM 760 O ALA A 59 -21.419 2.930 1.586 1.00 0.00 O ATOM 761 CB ALA A 59 -23.138 2.242 -1.074 1.00 0.00 C ATOM 762 HA ALA A 59 -21.250 3.217 -0.937 1.00 0.00 H ATOM 763 HB1 ALA A 59 -23.242 2.449 -2.139 1.00 0.00 H ATOM 764 HB2 ALA A 59 -23.575 1.270 -0.847 1.00 0.00 H ATOM 765 HB3 ALA A 59 -23.650 3.015 -0.501 1.00 0.00 H ATOM 766 H ALA A 59 -21.434 0.784 -2.292 1.00 0.00 H ATOM 767 N ASN A 60 -21.259 0.720 1.135 1.00 0.00 N ATOM 768 CA ASN A 60 -21.036 0.340 2.521 1.00 0.00 C ATOM 769 C ASN A 60 -19.537 0.379 2.820 1.00 0.00 C ATOM 770 O ASN A 60 -19.035 -0.435 3.592 1.00 0.00 O ATOM 771 CB ASN A 60 -21.537 -1.080 2.789 1.00 0.00 C ATOM 772 CG ASN A 60 -21.962 -1.245 4.249 1.00 0.00 C ATOM 773 OD1 ASN A 60 -21.801 -0.359 5.073 1.00 0.00 O ATOM 774 ND2 ASN A 60 -22.514 -2.424 4.523 1.00 0.00 N ATOM 775 HA ASN A 60 -21.580 1.039 3.156 1.00 0.00 H ATOM 776 HB2 ASN A 60 -22.391 -1.285 2.144 1.00 0.00 H ATOM 777 HB3 ASN A 60 -20.738 -1.788 2.568 1.00 0.00 H ATOM 778 HD22 ASN A 60 -22.621 -3.135 3.772 1.00 0.00 H ATOM 779 HD21 ASN A 60 -22.838 -2.634 5.488 1.00 0.00 H ATOM 780 H ASN A 60 -21.285 -0.016 0.400 1.00 0.00 H ATOM 781 N GLY A 61 -18.864 1.332 2.192 1.00 0.00 N ATOM 782 CA GLY A 61 -17.432 1.487 2.383 1.00 0.00 C ATOM 783 C GLY A 61 -16.730 0.127 2.391 1.00 0.00 C ATOM 784 O GLY A 61 -15.886 -0.133 3.246 1.00 0.00 O ATOM 785 HA3 GLY A 61 -17.251 1.988 3.334 1.00 0.00 H ATOM 786 HA2 GLY A 61 -17.027 2.093 1.572 1.00 0.00 H ATOM 787 H GLY A 61 -19.368 1.979 1.553 1.00 0.00 H ATOM 788 N SER A 62 -17.107 -0.703 1.429 1.00 0.00 N ATOM 789 CA SER A 62 -16.523 -2.030 1.315 1.00 0.00 C ATOM 790 C SER A 62 -15.612 -2.097 0.088 1.00 0.00 C ATOM 791 O SER A 62 -16.085 -2.293 -1.030 1.00 0.00 O ATOM 792 CB SER A 62 -17.610 -3.103 1.229 1.00 0.00 C ATOM 793 OG SER A 62 -18.832 -2.675 1.824 1.00 0.00 O ATOM 794 HA SER A 62 -15.931 -2.222 2.210 1.00 0.00 H ATOM 795 HB2 SER A 62 -17.262 -3.998 1.744 1.00 0.00 H ATOM 796 HB3 SER A 62 -17.792 -3.336 0.180 1.00 0.00 H ATOM 797 HG SER A 62 -18.677 -2.467 2.779 1.00 0.00 H ATOM 798 H SER A 62 -17.831 -0.401 0.746 1.00 0.00 H ATOM 799 N ALA A 63 -14.322 -1.927 0.340 1.00 0.00 N ATOM 800 CA ALA A 63 -13.341 -1.965 -0.731 1.00 0.00 C ATOM 801 C ALA A 63 -12.561 -3.281 -0.656 1.00 0.00 C ATOM 802 O ALA A 63 -11.478 -3.332 -0.080 1.00 0.00 O ATOM 803 CB ALA A 63 -12.428 -0.742 -0.632 1.00 0.00 C ATOM 804 HA ALA A 63 -13.833 -1.927 -1.703 1.00 0.00 H ATOM 805 HB1 ALA A 63 -13.027 0.165 -0.720 1.00 0.00 H ATOM 806 HB2 ALA A 63 -11.916 -0.749 0.330 1.00 0.00 H ATOM 807 HB3 ALA A 63 -11.693 -0.773 -1.436 1.00 0.00 H ATOM 808 H ALA A 63 -14.008 -1.764 1.318 1.00 0.00 H ATOM 809 N SER A 64 -13.146 -4.313 -1.248 1.00 0.00 N ATOM 810 CA SER A 64 -12.523 -5.624 -1.254 1.00 0.00 C ATOM 811 C SER A 64 -11.691 -5.800 -2.528 1.00 0.00 C ATOM 812 O SER A 64 -12.144 -6.428 -3.484 1.00 0.00 O ATOM 813 CB SER A 64 -13.567 -6.735 -1.144 1.00 0.00 C ATOM 814 OG SER A 64 -14.419 -6.556 -0.014 1.00 0.00 O ATOM 815 HA SER A 64 -11.869 -5.695 -0.385 1.00 0.00 H ATOM 816 HB2 SER A 64 -13.054 -7.692 -1.051 1.00 0.00 H ATOM 817 HB3 SER A 64 -14.176 -6.737 -2.048 1.00 0.00 H ATOM 818 HG SER A 64 -15.078 -7.294 0.021 1.00 0.00 H ATOM 819 H SER A 64 -14.066 -4.181 -1.715 1.00 0.00 H ATOM 820 N THR A 65 -10.493 -5.238 -2.498 1.00 0.00 N ATOM 821 CA THR A 65 -9.596 -5.325 -3.637 1.00 0.00 C ATOM 822 C THR A 65 -8.449 -6.290 -3.341 1.00 0.00 C ATOM 823 O THR A 65 -7.902 -6.288 -2.236 1.00 0.00 O ATOM 824 CB THR A 65 -9.129 -3.909 -3.982 1.00 0.00 C ATOM 825 OG1 THR A 65 -8.422 -4.066 -5.210 1.00 0.00 O ATOM 826 CG2 THR A 65 -8.070 -3.390 -3.006 1.00 0.00 C ATOM 827 HA THR A 65 -10.104 -5.735 -4.510 1.00 0.00 H ATOM 828 HB THR A 65 -9.985 -3.234 -3.984 1.00 0.00 H ATOM 829 HG1 THR A 65 -8.081 -3.186 -5.508 1.00 0.00 H ATOM 830 HG23 THR A 65 -8.524 -3.238 -2.027 1.00 0.00 H ATOM 831 HG21 THR A 65 -7.264 -4.119 -2.925 1.00 0.00 H ATOM 832 HG22 THR A 65 -7.671 -2.445 -3.374 1.00 0.00 H ATOM 833 H THR A 65 -10.189 -4.726 -1.645 1.00 0.00 H ATOM 834 N SER A 66 -8.113 -7.090 -4.341 1.00 0.00 N ATOM 835 CA SER A 66 -7.038 -8.056 -4.200 1.00 0.00 C ATOM 836 C SER A 66 -5.827 -7.621 -5.028 1.00 0.00 C ATOM 837 O SER A 66 -5.979 -7.173 -6.166 1.00 0.00 O ATOM 838 CB SER A 66 -7.495 -9.454 -4.622 1.00 0.00 C ATOM 839 OG SER A 66 -6.935 -9.845 -5.873 1.00 0.00 O ATOM 840 HA SER A 66 -6.753 -8.097 -3.149 1.00 0.00 H ATOM 841 HB2 SER A 66 -8.582 -9.459 -4.706 1.00 0.00 H ATOM 842 HB3 SER A 66 -7.188 -10.170 -3.860 1.00 0.00 H ATOM 843 HG SER A 66 -7.215 -9.204 -6.573 1.00 0.00 H ATOM 844 H SER A 66 -8.628 -7.025 -5.242 1.00 0.00 H ATOM 845 N LEU A 67 -4.655 -7.766 -4.430 1.00 0.00 N ATOM 846 CA LEU A 67 -3.421 -7.393 -5.099 1.00 0.00 C ATOM 847 C LEU A 67 -2.256 -8.164 -4.476 1.00 0.00 C ATOM 848 O LEU A 67 -2.446 -8.924 -3.528 1.00 0.00 O ATOM 849 CB LEU A 67 -3.239 -5.875 -5.077 1.00 0.00 C ATOM 850 CG LEU A 67 -2.825 -5.228 -6.400 1.00 0.00 C ATOM 851 CD1 LEU A 67 -4.040 -4.995 -7.298 1.00 0.00 C ATOM 852 CD2 LEU A 67 -2.034 -3.940 -6.159 1.00 0.00 C ATOM 853 HA LEU A 67 -3.458 -7.670 -6.153 1.00 0.00 H ATOM 854 HB2 LEU A 67 -4.186 -5.430 -4.770 1.00 0.00 H ATOM 855 HB3 LEU A 67 -2.473 -5.642 -4.338 1.00 0.00 H ATOM 856 HG LEU A 67 -2.163 -5.917 -6.925 1.00 0.00 H ATOM 857 HD21 LEU A 67 -2.652 -3.235 -5.603 1.00 0.00 H ATOM 858 HD22 LEU A 67 -1.136 -4.169 -5.586 1.00 0.00 H ATOM 859 HD23 LEU A 67 -1.753 -3.503 -7.117 1.00 0.00 H ATOM 860 HD11 LEU A 67 -4.522 -5.949 -7.510 1.00 0.00 H ATOM 861 HD12 LEU A 67 -4.744 -4.336 -6.790 1.00 0.00 H ATOM 862 HD13 LEU A 67 -3.717 -4.534 -8.232 1.00 0.00 H ATOM 863 H LEU A 67 -4.617 -8.153 -3.466 1.00 0.00 H ATOM 864 N THR A 68 -1.075 -7.941 -5.036 1.00 0.00 N ATOM 865 CA THR A 68 0.122 -8.605 -4.547 1.00 0.00 C ATOM 866 C THR A 68 1.004 -7.616 -3.779 1.00 0.00 C ATOM 867 O THR A 68 1.212 -6.488 -4.224 1.00 0.00 O ATOM 868 CB THR A 68 0.827 -9.247 -5.743 1.00 0.00 C ATOM 869 OG1 THR A 68 -0.118 -10.190 -6.237 1.00 0.00 O ATOM 870 CG2 THR A 68 2.024 -10.104 -5.324 1.00 0.00 C ATOM 871 HA THR A 68 -0.124 -9.393 -3.835 1.00 0.00 H ATOM 872 HB THR A 68 1.159 -8.469 -6.430 1.00 0.00 H ATOM 873 HG1 THR A 68 0.263 -10.657 -7.023 1.00 0.00 H ATOM 874 HG23 THR A 68 2.809 -9.460 -4.928 1.00 0.00 H ATOM 875 HG21 THR A 68 1.711 -10.812 -4.557 1.00 0.00 H ATOM 876 HG22 THR A 68 2.401 -10.648 -6.190 1.00 0.00 H ATOM 877 H THR A 68 -1.004 -7.281 -5.837 1.00 0.00 H ATOM 878 N VAL A 69 1.499 -8.077 -2.638 1.00 0.00 N ATOM 879 CA VAL A 69 2.352 -7.249 -1.807 1.00 0.00 C ATOM 880 C VAL A 69 3.806 -7.405 -2.259 1.00 0.00 C ATOM 881 O VAL A 69 4.534 -8.248 -1.738 1.00 0.00 O ATOM 882 CB VAL A 69 2.145 -7.600 -0.331 1.00 0.00 C ATOM 883 CG1 VAL A 69 2.622 -9.022 -0.035 1.00 0.00 C ATOM 884 CG2 VAL A 69 2.841 -6.585 0.577 1.00 0.00 C ATOM 885 HA VAL A 69 2.088 -6.197 -1.919 1.00 0.00 H ATOM 886 HB VAL A 69 1.076 -7.556 -0.122 1.00 0.00 H ATOM 887 HG11 VAL A 69 2.058 -9.727 -0.645 1.00 0.00 H ATOM 888 HG12 VAL A 69 3.683 -9.104 -0.269 1.00 0.00 H ATOM 889 HG13 VAL A 69 2.463 -9.245 1.020 1.00 0.00 H ATOM 890 HG21 VAL A 69 3.910 -6.582 0.364 1.00 0.00 H ATOM 891 HG22 VAL A 69 2.430 -5.592 0.392 1.00 0.00 H ATOM 892 HG23 VAL A 69 2.677 -6.859 1.619 1.00 0.00 H ATOM 893 H VAL A 69 1.272 -9.046 -2.335 1.00 0.00 H ATOM 894 N ARG A 70 4.184 -6.580 -3.224 1.00 0.00 N ATOM 895 CA ARG A 70 5.537 -6.617 -3.753 1.00 0.00 C ATOM 896 C ARG A 70 6.453 -5.711 -2.928 1.00 0.00 C ATOM 897 O ARG A 70 6.772 -4.598 -3.344 1.00 0.00 O ATOM 898 CB ARG A 70 5.568 -6.166 -5.215 1.00 0.00 C ATOM 899 CG ARG A 70 4.679 -7.059 -6.083 1.00 0.00 C ATOM 900 CD ARG A 70 5.515 -8.077 -6.859 1.00 0.00 C ATOM 901 NE ARG A 70 4.656 -9.190 -7.322 1.00 0.00 N ATOM 902 CZ ARG A 70 3.885 -9.140 -8.415 1.00 0.00 C ATOM 903 NH1 ARG A 70 3.860 -8.030 -9.167 1.00 0.00 N ATOM 904 NH2 ARG A 70 3.137 -10.197 -8.759 1.00 0.00 N ATOM 905 HA ARG A 70 5.889 -7.647 -3.694 1.00 0.00 H ATOM 906 HB2 ARG A 70 5.212 -5.138 -5.279 1.00 0.00 H ATOM 907 HB3 ARG A 70 6.593 -6.218 -5.583 1.00 0.00 H ATOM 908 HG2 ARG A 70 3.974 -7.590 -5.443 1.00 0.00 H ATOM 909 HG3 ARG A 70 4.129 -6.437 -6.789 1.00 0.00 H ATOM 910 HD2 ARG A 70 6.298 -8.471 -6.211 1.00 0.00 H ATOM 911 HD3 ARG A 70 5.970 -7.589 -7.721 1.00 0.00 H ATOM 912 HE ARG A 70 4.651 -10.067 -6.762 1.00 0.00 H ATOM 913 HH12 ARG A 70 3.261 -7.991 -10.016 1.00 0.00 H ATOM 914 HH11 ARG A 70 4.440 -7.208 -8.901 1.00 0.00 H ATOM 915 HH22 ARG A 70 2.539 -10.156 -9.609 1.00 0.00 H ATOM 916 HH21 ARG A 70 3.155 -11.058 -8.176 1.00 0.00 H ATOM 917 H ARG A 70 3.502 -5.895 -3.609 1.00 0.00 H ATOM 918 N ARG A 71 6.851 -6.223 -1.771 1.00 0.00 N ATOM 919 CA ARG A 71 7.725 -5.474 -0.883 1.00 0.00 C ATOM 920 C ARG A 71 8.964 -4.988 -1.643 1.00 0.00 C ATOM 921 O ARG A 71 9.492 -3.918 -1.353 1.00 0.00 O ATOM 922 CB ARG A 71 8.168 -6.331 0.304 1.00 0.00 C ATOM 923 CG ARG A 71 9.053 -5.528 1.258 1.00 0.00 C ATOM 924 CD ARG A 71 10.293 -6.329 1.662 1.00 0.00 C ATOM 925 NE ARG A 71 9.944 -7.759 1.819 1.00 0.00 N ATOM 926 CZ ARG A 71 10.821 -8.763 1.699 1.00 0.00 C ATOM 927 NH1 ARG A 71 12.104 -8.503 1.416 1.00 0.00 N ATOM 928 NH2 ARG A 71 10.414 -10.031 1.857 1.00 0.00 N ATOM 929 HA ARG A 71 7.164 -4.617 -0.510 1.00 0.00 H ATOM 930 HB2 ARG A 71 7.286 -6.678 0.842 1.00 0.00 H ATOM 931 HB3 ARG A 71 8.728 -7.190 -0.065 1.00 0.00 H ATOM 932 HG2 ARG A 71 9.368 -4.609 0.764 1.00 0.00 H ATOM 933 HG3 ARG A 71 8.481 -5.281 2.152 1.00 0.00 H ATOM 934 HD2 ARG A 71 10.679 -5.946 2.607 1.00 0.00 H ATOM 935 HD3 ARG A 71 11.056 -6.226 0.891 1.00 0.00 H ATOM 936 HE ARG A 71 8.956 -7.999 2.036 1.00 0.00 H ATOM 937 HH12 ARG A 71 12.785 -9.284 1.323 1.00 0.00 H ATOM 938 HH11 ARG A 71 12.420 -7.520 1.289 1.00 0.00 H ATOM 939 HH22 ARG A 71 11.095 -10.811 1.764 1.00 0.00 H ATOM 940 HH21 ARG A 71 9.417 -10.234 2.073 1.00 0.00 H ATOM 941 H ARG A 71 6.533 -7.174 -1.495 1.00 0.00 H ATOM 942 N SER A 72 9.387 -5.800 -2.599 1.00 0.00 N ATOM 943 CA SER A 72 10.552 -5.468 -3.402 1.00 0.00 C ATOM 944 C SER A 72 10.119 -4.748 -4.680 1.00 0.00 C ATOM 945 O SER A 72 9.180 -5.177 -5.350 1.00 0.00 O ATOM 946 CB SER A 72 11.361 -6.720 -3.745 1.00 0.00 C ATOM 947 OG SER A 72 10.522 -7.842 -4.008 1.00 0.00 O ATOM 948 HA SER A 72 11.191 -4.805 -2.819 1.00 0.00 H ATOM 949 HB2 SER A 72 12.015 -6.958 -2.906 1.00 0.00 H ATOM 950 HB3 SER A 72 11.966 -6.517 -4.629 1.00 0.00 H ATOM 951 HG SER A 72 11.083 -8.628 -4.225 1.00 0.00 H ATOM 952 H SER A 72 8.878 -6.689 -2.778 1.00 0.00 H ATOM 953 N PHE A 73 10.823 -3.665 -4.980 1.00 0.00 N ATOM 954 CA PHE A 73 10.521 -2.883 -6.166 1.00 0.00 C ATOM 955 C PHE A 73 11.142 -1.488 -6.075 1.00 0.00 C ATOM 956 O PHE A 73 11.763 -1.146 -5.067 1.00 0.00 O ATOM 957 CB PHE A 73 9.000 -2.748 -6.239 1.00 0.00 C ATOM 958 CG PHE A 73 8.354 -3.570 -7.355 1.00 0.00 C ATOM 959 CD1 PHE A 73 8.960 -3.665 -8.569 1.00 0.00 C ATOM 960 CD2 PHE A 73 7.175 -4.210 -7.132 1.00 0.00 C ATOM 961 CE1 PHE A 73 8.359 -4.429 -9.604 1.00 0.00 C ATOM 962 CE2 PHE A 73 6.574 -4.976 -8.168 1.00 0.00 C ATOM 963 CZ PHE A 73 7.181 -5.069 -9.382 1.00 0.00 C ATOM 964 HA PHE A 73 10.927 -3.376 -7.049 1.00 0.00 H ATOM 965 HB2 PHE A 73 8.581 -3.074 -5.287 1.00 0.00 H ATOM 966 HB3 PHE A 73 8.756 -1.698 -6.402 1.00 0.00 H ATOM 967 HD2 PHE A 73 6.691 -4.136 -6.158 1.00 0.00 H ATOM 968 HE2 PHE A 73 5.628 -5.488 -7.990 1.00 0.00 H ATOM 969 HZ PHE A 73 6.722 -5.657 -10.177 1.00 0.00 H ATOM 970 HE1 PHE A 73 8.843 -4.502 -10.578 1.00 0.00 H ATOM 971 HD1 PHE A 73 9.907 -3.155 -8.747 1.00 0.00 H ATOM 972 H PHE A 73 11.602 -3.371 -4.357 1.00 0.00 H ATOM 973 N GLU A 74 10.953 -0.719 -7.136 1.00 0.00 N ATOM 974 CA GLU A 74 11.487 0.630 -7.188 1.00 0.00 C ATOM 975 C GLU A 74 10.475 1.624 -6.609 1.00 0.00 C ATOM 976 O GLU A 74 9.420 1.855 -7.198 1.00 0.00 O ATOM 977 CB GLU A 74 11.873 1.013 -8.617 1.00 0.00 C ATOM 978 CG GLU A 74 12.637 2.338 -8.642 1.00 0.00 C ATOM 979 CD GLU A 74 12.754 2.878 -10.070 1.00 0.00 C ATOM 980 OE1 GLU A 74 13.770 2.550 -10.719 1.00 0.00 O ATOM 981 OE2 GLU A 74 11.823 3.607 -10.480 1.00 0.00 O ATOM 982 HA GLU A 74 12.392 0.665 -6.581 1.00 0.00 H ATOM 983 HB2 GLU A 74 12.503 0.230 -9.038 1.00 0.00 H ATOM 984 HB3 GLU A 74 10.968 1.112 -9.217 1.00 0.00 H ATOM 985 HG2 GLU A 74 12.108 3.066 -8.028 1.00 0.00 H ATOM 986 HG3 GLU A 74 13.637 2.181 -8.237 1.00 0.00 H ATOM 987 H GLU A 74 10.413 -1.087 -7.945 1.00 0.00 H ATOM 988 N GLY A 75 10.833 2.182 -5.461 1.00 0.00 N ATOM 989 CA GLY A 75 9.970 3.145 -4.797 1.00 0.00 C ATOM 990 C GLY A 75 10.191 4.553 -5.350 1.00 0.00 C ATOM 991 O GLY A 75 11.220 4.828 -5.967 1.00 0.00 O ATOM 992 HA3 GLY A 75 10.189 3.143 -3.729 1.00 0.00 H ATOM 993 HA2 GLY A 75 8.930 2.859 -4.954 1.00 0.00 H ATOM 994 H GLY A 75 11.744 1.927 -5.029 1.00 0.00 H ATOM 995 N PHE A 76 9.208 5.409 -5.113 1.00 0.00 N ATOM 996 CA PHE A 76 9.282 6.783 -5.580 1.00 0.00 C ATOM 997 C PHE A 76 8.773 7.754 -4.512 1.00 0.00 C ATOM 998 O PHE A 76 7.676 7.579 -3.984 1.00 0.00 O ATOM 999 CB PHE A 76 8.384 6.886 -6.814 1.00 0.00 C ATOM 1000 CG PHE A 76 7.079 7.647 -6.574 1.00 0.00 C ATOM 1001 CD1 PHE A 76 7.044 8.999 -6.733 1.00 0.00 C ATOM 1002 CD2 PHE A 76 5.958 6.975 -6.199 1.00 0.00 C ATOM 1003 CE1 PHE A 76 5.832 9.706 -6.510 1.00 0.00 C ATOM 1004 CE2 PHE A 76 4.747 7.685 -5.976 1.00 0.00 C ATOM 1005 CZ PHE A 76 4.710 9.034 -6.136 1.00 0.00 C ATOM 1006 HA PHE A 76 10.316 7.043 -5.806 1.00 0.00 H ATOM 1007 HB2 PHE A 76 8.939 7.397 -7.600 1.00 0.00 H ATOM 1008 HB3 PHE A 76 8.137 5.877 -7.143 1.00 0.00 H ATOM 1009 HD2 PHE A 76 5.988 5.893 -6.070 1.00 0.00 H ATOM 1010 HE2 PHE A 76 3.847 7.147 -5.676 1.00 0.00 H ATOM 1011 HZ PHE A 76 3.781 9.578 -5.965 1.00 0.00 H ATOM 1012 HE1 PHE A 76 5.801 10.788 -6.639 1.00 0.00 H ATOM 1013 HD1 PHE A 76 7.944 9.538 -7.031 1.00 0.00 H ATOM 1014 H PHE A 76 8.370 5.093 -4.584 1.00 0.00 H ATOM 1015 N LEU A 77 9.595 8.753 -4.227 1.00 0.00 N ATOM 1016 CA LEU A 77 9.242 9.751 -3.231 1.00 0.00 C ATOM 1017 C LEU A 77 7.995 10.507 -3.693 1.00 0.00 C ATOM 1018 O LEU A 77 7.807 10.731 -4.889 1.00 0.00 O ATOM 1019 CB LEU A 77 10.438 10.657 -2.935 1.00 0.00 C ATOM 1020 CG LEU A 77 11.757 9.950 -2.626 1.00 0.00 C ATOM 1021 CD1 LEU A 77 11.510 8.529 -2.114 1.00 0.00 C ATOM 1022 CD2 LEU A 77 12.687 9.966 -3.844 1.00 0.00 C ATOM 1023 HA LEU A 77 8.992 9.274 -2.284 1.00 0.00 H ATOM 1024 HB2 LEU A 77 10.597 11.294 -3.805 1.00 0.00 H ATOM 1025 HB3 LEU A 77 10.182 11.276 -2.075 1.00 0.00 H ATOM 1026 HG LEU A 77 12.260 10.498 -1.829 1.00 0.00 H ATOM 1027 HD21 LEU A 77 12.202 9.455 -4.676 1.00 0.00 H ATOM 1028 HD22 LEU A 77 12.900 10.998 -4.124 1.00 0.00 H ATOM 1029 HD23 LEU A 77 13.618 9.456 -3.596 1.00 0.00 H ATOM 1030 HD11 LEU A 77 10.913 8.571 -1.203 1.00 0.00 H ATOM 1031 HD12 LEU A 77 10.976 7.958 -2.874 1.00 0.00 H ATOM 1032 HD13 LEU A 77 12.466 8.049 -1.902 1.00 0.00 H ATOM 1033 H LEU A 77 10.506 8.824 -4.723 1.00 0.00 H ATOM 1034 N PHE A 78 7.175 10.883 -2.723 1.00 0.00 N ATOM 1035 CA PHE A 78 5.951 11.608 -3.016 1.00 0.00 C ATOM 1036 C PHE A 78 6.249 13.072 -3.350 1.00 0.00 C ATOM 1037 O PHE A 78 5.418 13.761 -3.938 1.00 0.00 O ATOM 1038 CB PHE A 78 5.085 11.552 -1.756 1.00 0.00 C ATOM 1039 CG PHE A 78 5.352 12.688 -0.765 1.00 0.00 C ATOM 1040 CD1 PHE A 78 6.331 12.557 0.171 1.00 0.00 C ATOM 1041 CD2 PHE A 78 4.610 13.826 -0.819 1.00 0.00 C ATOM 1042 CE1 PHE A 78 6.578 13.610 1.090 1.00 0.00 C ATOM 1043 CE2 PHE A 78 4.859 14.880 0.100 1.00 0.00 C ATOM 1044 CZ PHE A 78 5.837 14.749 1.035 1.00 0.00 C ATOM 1045 HA PHE A 78 5.450 11.161 -3.874 1.00 0.00 H ATOM 1046 HB2 PHE A 78 4.038 11.598 -2.057 1.00 0.00 H ATOM 1047 HB3 PHE A 78 5.275 10.605 -1.251 1.00 0.00 H ATOM 1048 HD2 PHE A 78 3.824 13.929 -1.567 1.00 0.00 H ATOM 1049 HE2 PHE A 78 4.266 15.794 0.056 1.00 0.00 H ATOM 1050 HZ PHE A 78 6.027 15.557 1.741 1.00 0.00 H ATOM 1051 HE1 PHE A 78 7.362 13.506 1.840 1.00 0.00 H ATOM 1052 HD1 PHE A 78 6.925 11.644 0.215 1.00 0.00 H ATOM 1053 H PHE A 78 7.411 10.656 -1.736 1.00 0.00 H ATOM 1054 N ASP A 79 7.439 13.505 -2.960 1.00 0.00 N ATOM 1055 CA ASP A 79 7.858 14.873 -3.211 1.00 0.00 C ATOM 1056 C ASP A 79 7.890 15.123 -4.720 1.00 0.00 C ATOM 1057 O ASP A 79 7.360 16.126 -5.197 1.00 0.00 O ATOM 1058 CB ASP A 79 9.262 15.130 -2.658 1.00 0.00 C ATOM 1059 CG ASP A 79 9.856 16.494 -3.012 1.00 0.00 C ATOM 1060 OD1 ASP A 79 9.180 17.502 -2.714 1.00 0.00 O ATOM 1061 OD2 ASP A 79 10.974 16.499 -3.572 1.00 0.00 O ATOM 1062 HA ASP A 79 7.150 15.539 -2.718 1.00 0.00 H ATOM 1063 HB2 ASP A 79 9.217 15.052 -1.572 1.00 0.00 H ATOM 1064 HB3 ASP A 79 9.926 14.360 -3.050 1.00 0.00 H ATOM 1065 H ASP A 79 8.083 12.855 -2.466 1.00 0.00 H ATOM 1066 N GLY A 80 8.516 14.196 -5.429 1.00 0.00 N ATOM 1067 CA GLY A 80 8.625 14.304 -6.873 1.00 0.00 C ATOM 1068 C GLY A 80 9.772 13.441 -7.404 1.00 0.00 C ATOM 1069 O GLY A 80 9.759 13.029 -8.562 1.00 0.00 O ATOM 1070 HA3 GLY A 80 8.809 15.345 -7.140 1.00 0.00 H ATOM 1071 HA2 GLY A 80 7.691 13.974 -7.327 1.00 0.00 H ATOM 1072 H GLY A 80 8.936 13.378 -4.944 1.00 0.00 H ATOM 1073 N THR A 81 10.736 13.193 -6.529 1.00 0.00 N ATOM 1074 CA THR A 81 11.890 12.388 -6.895 1.00 0.00 C ATOM 1075 C THR A 81 11.609 10.906 -6.634 1.00 0.00 C ATOM 1076 O THR A 81 10.731 10.567 -5.841 1.00 0.00 O ATOM 1077 CB THR A 81 13.100 12.921 -6.128 1.00 0.00 C ATOM 1078 OG1 THR A 81 13.186 14.289 -6.519 1.00 0.00 O ATOM 1079 CG2 THR A 81 14.417 12.312 -6.614 1.00 0.00 C ATOM 1080 HA THR A 81 12.104 12.464 -7.961 1.00 0.00 H ATOM 1081 HB THR A 81 12.974 12.714 -5.065 1.00 0.00 H ATOM 1082 HG1 THR A 81 13.954 14.714 -6.061 1.00 0.00 H ATOM 1083 HG23 THR A 81 14.443 11.253 -6.356 1.00 0.00 H ATOM 1084 HG21 THR A 81 14.491 12.426 -7.695 1.00 0.00 H ATOM 1085 HG22 THR A 81 15.251 12.824 -6.135 1.00 0.00 H ATOM 1086 H THR A 81 10.666 13.580 -5.566 1.00 0.00 H ATOM 1087 N ARG A 82 12.370 10.065 -7.316 1.00 0.00 N ATOM 1088 CA ARG A 82 12.216 8.628 -7.168 1.00 0.00 C ATOM 1089 C ARG A 82 13.399 8.041 -6.396 1.00 0.00 C ATOM 1090 O ARG A 82 14.526 8.517 -6.527 1.00 0.00 O ATOM 1091 CB ARG A 82 12.113 7.940 -8.532 1.00 0.00 C ATOM 1092 CG ARG A 82 13.445 8.009 -9.280 1.00 0.00 C ATOM 1093 CD ARG A 82 13.223 8.259 -10.775 1.00 0.00 C ATOM 1094 NE ARG A 82 13.477 9.682 -11.091 1.00 0.00 N ATOM 1095 CZ ARG A 82 12.967 10.316 -12.156 1.00 0.00 C ATOM 1096 NH1 ARG A 82 12.171 9.658 -13.010 1.00 0.00 N ATOM 1097 NH2 ARG A 82 13.250 11.610 -12.366 1.00 0.00 N ATOM 1098 HA ARG A 82 11.294 8.451 -6.614 1.00 0.00 H ATOM 1099 HB2 ARG A 82 11.839 6.895 -8.385 1.00 0.00 H ATOM 1100 HB3 ARG A 82 11.344 8.436 -9.125 1.00 0.00 H ATOM 1101 HG2 ARG A 82 14.044 8.821 -8.868 1.00 0.00 H ATOM 1102 HG3 ARG A 82 13.976 7.066 -9.151 1.00 0.00 H ATOM 1103 HD2 ARG A 82 12.194 8.009 -11.035 1.00 0.00 H ATOM 1104 HD3 ARG A 82 13.904 7.633 -11.351 1.00 0.00 H ATOM 1105 HE ARG A 82 14.089 10.223 -10.447 1.00 0.00 H ATOM 1106 HH12 ARG A 82 11.775 10.150 -13.836 1.00 0.00 H ATOM 1107 HH11 ARG A 82 11.949 8.655 -12.846 1.00 0.00 H ATOM 1108 HH22 ARG A 82 12.854 12.101 -13.193 1.00 0.00 H ATOM 1109 HH21 ARG A 82 13.866 12.122 -11.702 1.00 0.00 H ATOM 1110 H ARG A 82 13.089 10.439 -7.968 1.00 0.00 H ATOM 1111 N TRP A 83 13.104 7.017 -5.610 1.00 0.00 N ATOM 1112 CA TRP A 83 14.131 6.361 -4.819 1.00 0.00 C ATOM 1113 C TRP A 83 14.449 5.016 -5.477 1.00 0.00 C ATOM 1114 O TRP A 83 15.314 4.938 -6.349 1.00 0.00 O ATOM 1115 CB TRP A 83 13.694 6.224 -3.357 1.00 0.00 C ATOM 1116 CG TRP A 83 14.687 5.460 -2.481 1.00 0.00 C ATOM 1117 CD1 TRP A 83 14.579 4.209 -2.010 1.00 0.00 C ATOM 1118 CD2 TRP A 83 15.952 5.948 -1.985 1.00 0.00 C ATOM 1119 NE1 TRP A 83 15.676 3.859 -1.250 1.00 0.00 N ATOM 1120 CE2 TRP A 83 16.536 4.951 -1.236 1.00 0.00 C ATOM 1121 CE3 TRP A 83 16.578 7.193 -2.166 1.00 0.00 C ATOM 1122 CZ2 TRP A 83 17.779 5.093 -0.604 1.00 0.00 C ATOM 1123 CZ3 TRP A 83 17.820 7.321 -1.529 1.00 0.00 C ATOM 1124 CH2 TRP A 83 18.422 6.326 -0.771 1.00 0.00 C ATOM 1125 HA TRP A 83 15.041 6.960 -4.796 1.00 0.00 H ATOM 1126 HB2 TRP A 83 13.568 7.224 -2.941 1.00 0.00 H ATOM 1127 HB3 TRP A 83 12.739 5.699 -3.332 1.00 0.00 H ATOM 1128 HE1 TRP A 83 15.831 2.947 -0.775 1.00 0.00 H ATOM 1129 HD1 TRP A 83 13.731 3.552 -2.203 1.00 0.00 H ATOM 1130 HZ2 TRP A 83 18.221 4.289 -0.015 1.00 0.00 H ATOM 1131 HH2 TRP A 83 19.392 6.504 -0.307 1.00 0.00 H ATOM 1132 HZ3 TRP A 83 18.350 8.267 -1.636 1.00 0.00 H ATOM 1133 HE3 TRP A 83 16.133 7.995 -2.755 1.00 0.00 H ATOM 1134 H TRP A 83 12.122 6.677 -5.558 1.00 0.00 H ATOM 1135 N GLY A 84 13.733 3.993 -5.033 1.00 0.00 N ATOM 1136 CA GLY A 84 13.928 2.659 -5.568 1.00 0.00 C ATOM 1137 C GLY A 84 13.884 1.608 -4.455 1.00 0.00 C ATOM 1138 O GLY A 84 12.948 0.813 -4.383 1.00 0.00 O ATOM 1139 HA3 GLY A 84 14.897 2.612 -6.064 1.00 0.00 H ATOM 1140 HA2 GLY A 84 13.140 2.446 -6.291 1.00 0.00 H ATOM 1141 H GLY A 84 13.021 4.149 -4.291 1.00 0.00 H ATOM 1142 N THR A 85 14.907 1.642 -3.613 1.00 0.00 N ATOM 1143 CA THR A 85 14.996 0.704 -2.506 1.00 0.00 C ATOM 1144 C THR A 85 15.207 -0.718 -3.029 1.00 0.00 C ATOM 1145 O THR A 85 16.222 -1.348 -2.731 1.00 0.00 O ATOM 1146 CB THR A 85 13.736 0.859 -1.653 1.00 0.00 C ATOM 1147 OG1 THR A 85 14.046 1.927 -0.764 1.00 0.00 O ATOM 1148 CG2 THR A 85 13.504 -0.339 -0.731 1.00 0.00 C ATOM 1149 HA THR A 85 15.859 0.915 -1.875 1.00 0.00 H ATOM 1150 HB THR A 85 12.871 0.990 -2.304 1.00 0.00 H ATOM 1151 HG1 THR A 85 13.273 2.094 -0.169 1.00 0.00 H ATOM 1152 HG23 THR A 85 13.258 -1.215 -1.331 1.00 0.00 H ATOM 1153 HG21 THR A 85 14.409 -0.534 -0.156 1.00 0.00 H ATOM 1154 HG22 THR A 85 12.681 -0.119 -0.052 1.00 0.00 H ATOM 1155 H THR A 85 15.657 2.350 -3.746 1.00 0.00 H ATOM 1156 N VAL A 86 14.233 -1.183 -3.797 1.00 0.00 N ATOM 1157 CA VAL A 86 14.299 -2.519 -4.363 1.00 0.00 C ATOM 1158 C VAL A 86 13.725 -3.523 -3.359 1.00 0.00 C ATOM 1159 O VAL A 86 13.089 -4.501 -3.749 1.00 0.00 O ATOM 1160 CB VAL A 86 15.736 -2.843 -4.774 1.00 0.00 C ATOM 1161 CG1 VAL A 86 15.775 -4.008 -5.765 1.00 0.00 C ATOM 1162 CG2 VAL A 86 16.432 -1.610 -5.350 1.00 0.00 C ATOM 1163 HA VAL A 86 13.694 -2.580 -5.268 1.00 0.00 H ATOM 1164 HB VAL A 86 16.279 -3.147 -3.879 1.00 0.00 H ATOM 1165 HG11 VAL A 86 15.336 -4.892 -5.302 1.00 0.00 H ATOM 1166 HG12 VAL A 86 15.207 -3.744 -6.657 1.00 0.00 H ATOM 1167 HG13 VAL A 86 16.809 -4.216 -6.039 1.00 0.00 H ATOM 1168 HG21 VAL A 86 15.886 -1.263 -6.228 1.00 0.00 H ATOM 1169 HG22 VAL A 86 16.452 -0.821 -4.598 1.00 0.00 H ATOM 1170 HG23 VAL A 86 17.452 -1.869 -5.634 1.00 0.00 H ATOM 1171 H VAL A 86 13.408 -0.582 -3.998 1.00 0.00 H ATOM 1172 N ASP A 87 13.969 -3.243 -2.087 1.00 0.00 N ATOM 1173 CA ASP A 87 13.483 -4.110 -1.026 1.00 0.00 C ATOM 1174 C ASP A 87 12.961 -3.251 0.128 1.00 0.00 C ATOM 1175 O ASP A 87 13.745 -2.644 0.858 1.00 0.00 O ATOM 1176 CB ASP A 87 14.604 -4.999 -0.484 1.00 0.00 C ATOM 1177 CG ASP A 87 14.219 -6.462 -0.263 1.00 0.00 C ATOM 1178 OD1 ASP A 87 14.577 -6.988 0.813 1.00 0.00 O ATOM 1179 OD2 ASP A 87 13.575 -7.024 -1.176 1.00 0.00 O ATOM 1180 HA ASP A 87 12.693 -4.738 -1.438 1.00 0.00 H ATOM 1181 HB2 ASP A 87 15.431 -4.970 -1.193 1.00 0.00 H ATOM 1182 HB3 ASP A 87 14.931 -4.587 0.471 1.00 0.00 H ATOM 1183 H ASP A 87 14.515 -2.392 -1.845 1.00 0.00 H ATOM 1184 N CYS A 88 11.643 -3.226 0.256 1.00 0.00 N ATOM 1185 CA CYS A 88 11.007 -2.452 1.309 1.00 0.00 C ATOM 1186 C CYS A 88 10.867 -3.345 2.543 1.00 0.00 C ATOM 1187 O CYS A 88 9.761 -3.553 3.039 1.00 0.00 O ATOM 1188 CB CYS A 88 9.660 -1.884 0.859 1.00 0.00 C ATOM 1189 SG CYS A 88 8.657 -1.140 2.196 1.00 0.00 S ATOM 1190 HA CYS A 88 11.626 -1.589 1.555 1.00 0.00 H ATOM 1191 HB2 CYS A 88 9.083 -2.693 0.412 1.00 0.00 H ATOM 1192 HB3 CYS A 88 9.849 -1.116 0.109 1.00 0.00 H ATOM 1193 H CYS A 88 11.054 -3.769 -0.407 1.00 0.00 H ATOM 1194 N THR A 89 12.004 -3.847 3.005 1.00 0.00 N ATOM 1195 CA THR A 89 12.020 -4.712 4.171 1.00 0.00 C ATOM 1196 C THR A 89 12.452 -3.925 5.411 1.00 0.00 C ATOM 1197 O THR A 89 12.301 -4.402 6.535 1.00 0.00 O ATOM 1198 CB THR A 89 12.926 -5.906 3.863 1.00 0.00 C ATOM 1199 OG1 THR A 89 12.830 -6.724 5.025 1.00 0.00 O ATOM 1200 CG2 THR A 89 14.404 -5.518 3.799 1.00 0.00 C ATOM 1201 HA THR A 89 11.023 -5.092 4.395 1.00 0.00 H ATOM 1202 HB THR A 89 12.628 -6.353 2.915 1.00 0.00 H ATOM 1203 HG1 THR A 89 13.142 -6.213 5.813 1.00 0.00 H ATOM 1204 HG23 THR A 89 14.574 -4.883 2.930 1.00 0.00 H ATOM 1205 HG21 THR A 89 14.676 -4.976 4.705 1.00 0.00 H ATOM 1206 HG22 THR A 89 15.012 -6.419 3.717 1.00 0.00 H ATOM 1207 H THR A 89 12.898 -3.618 2.525 1.00 0.00 H ATOM 1208 N THR A 90 12.983 -2.737 5.165 1.00 0.00 N ATOM 1209 CA THR A 90 13.437 -1.881 6.247 1.00 0.00 C ATOM 1210 C THR A 90 12.293 -0.996 6.744 1.00 0.00 C ATOM 1211 O THR A 90 11.946 -1.028 7.924 1.00 0.00 O ATOM 1212 CB THR A 90 14.646 -1.087 5.745 1.00 0.00 C ATOM 1213 OG1 THR A 90 15.703 -2.042 5.725 1.00 0.00 O ATOM 1214 CG2 THR A 90 15.114 -0.036 6.751 1.00 0.00 C ATOM 1215 HA THR A 90 13.750 -2.468 7.111 1.00 0.00 H ATOM 1216 HB THR A 90 14.395 -0.601 4.802 1.00 0.00 H ATOM 1217 HG1 THR A 90 16.534 -1.607 5.408 1.00 0.00 H ATOM 1218 HG23 THR A 90 14.360 0.746 6.835 1.00 0.00 H ATOM 1219 HG21 THR A 90 15.261 -0.506 7.723 1.00 0.00 H ATOM 1220 HG22 THR A 90 16.054 0.399 6.410 1.00 0.00 H ATOM 1221 H THR A 90 13.076 -2.412 4.182 1.00 0.00 H ATOM 1222 N ALA A 91 11.739 -0.226 5.819 1.00 0.00 N ATOM 1223 CA ALA A 91 10.641 0.667 6.149 1.00 0.00 C ATOM 1224 C ALA A 91 9.314 -0.073 5.959 1.00 0.00 C ATOM 1225 O ALA A 91 9.041 -0.598 4.881 1.00 0.00 O ATOM 1226 CB ALA A 91 10.731 1.929 5.289 1.00 0.00 C ATOM 1227 HA ALA A 91 10.701 0.979 7.192 1.00 0.00 H ATOM 1228 HB1 ALA A 91 11.679 2.432 5.482 1.00 0.00 H ATOM 1229 HB2 ALA A 91 10.672 1.654 4.236 1.00 0.00 H ATOM 1230 HB3 ALA A 91 9.906 2.597 5.539 1.00 0.00 H ATOM 1231 H ALA A 91 12.095 -0.261 4.843 1.00 0.00 H ATOM 1232 N ALA A 92 8.526 -0.088 7.024 1.00 0.00 N ATOM 1233 CA ALA A 92 7.234 -0.753 6.989 1.00 0.00 C ATOM 1234 C ALA A 92 6.388 -0.155 5.863 1.00 0.00 C ATOM 1235 O ALA A 92 6.100 1.041 5.865 1.00 0.00 O ATOM 1236 CB ALA A 92 6.557 -0.629 8.355 1.00 0.00 C ATOM 1237 HA ALA A 92 7.356 -1.816 6.782 1.00 0.00 H ATOM 1238 HB1 ALA A 92 7.185 -1.095 9.114 1.00 0.00 H ATOM 1239 HB2 ALA A 92 6.417 0.425 8.595 1.00 0.00 H ATOM 1240 HB3 ALA A 92 5.589 -1.128 8.326 1.00 0.00 H ATOM 1241 H ALA A 92 8.836 0.383 7.898 1.00 0.00 H ATOM 1242 N CYS A 93 6.010 -1.015 4.929 1.00 0.00 N ATOM 1243 CA CYS A 93 5.202 -0.587 3.799 1.00 0.00 C ATOM 1244 C CYS A 93 3.728 -0.710 4.189 1.00 0.00 C ATOM 1245 O CYS A 93 3.283 -1.773 4.622 1.00 0.00 O ATOM 1246 CB CYS A 93 5.527 -1.386 2.535 1.00 0.00 C ATOM 1247 SG CYS A 93 7.100 -2.317 2.600 1.00 0.00 S ATOM 1248 HA CYS A 93 5.428 0.452 3.560 1.00 0.00 H ATOM 1249 HB2 CYS A 93 5.579 -0.690 1.698 1.00 0.00 H ATOM 1250 HB3 CYS A 93 4.718 -2.097 2.366 1.00 0.00 H ATOM 1251 H CYS A 93 6.296 -2.012 5.005 1.00 0.00 H ATOM 1252 N GLN A 94 3.010 0.389 4.021 1.00 0.00 N ATOM 1253 CA GLN A 94 1.595 0.418 4.350 1.00 0.00 C ATOM 1254 C GLN A 94 0.752 0.194 3.092 1.00 0.00 C ATOM 1255 O GLN A 94 0.785 1.003 2.166 1.00 0.00 O ATOM 1256 CB GLN A 94 1.217 1.733 5.035 1.00 0.00 C ATOM 1257 CG GLN A 94 1.906 1.860 6.395 1.00 0.00 C ATOM 1258 CD GLN A 94 2.301 3.311 6.676 1.00 0.00 C ATOM 1259 OE1 GLN A 94 2.078 4.208 5.880 1.00 0.00 O ATOM 1260 NE2 GLN A 94 2.897 3.491 7.851 1.00 0.00 N ATOM 1261 HA GLN A 94 1.389 -0.391 5.051 1.00 0.00 H ATOM 1262 HB2 GLN A 94 1.522 2.566 4.401 1.00 0.00 H ATOM 1263 HB3 GLN A 94 0.137 1.763 5.178 1.00 0.00 H ATOM 1264 HG2 GLN A 94 1.224 1.519 7.174 1.00 0.00 H ATOM 1265 HG3 GLN A 94 2.802 1.239 6.401 1.00 0.00 H ATOM 1266 HE22 GLN A 94 3.056 2.680 8.483 1.00 0.00 H ATOM 1267 HE21 GLN A 94 3.204 4.442 8.138 1.00 0.00 H ATOM 1268 H GLN A 94 3.466 1.246 3.647 1.00 0.00 H ATOM 1269 N VAL A 95 0.018 -0.910 3.099 1.00 0.00 N ATOM 1270 CA VAL A 95 -0.830 -1.251 1.970 1.00 0.00 C ATOM 1271 C VAL A 95 -2.200 -0.594 2.152 1.00 0.00 C ATOM 1272 O VAL A 95 -2.970 -0.989 3.027 1.00 0.00 O ATOM 1273 CB VAL A 95 -0.911 -2.771 1.817 1.00 0.00 C ATOM 1274 CG1 VAL A 95 -1.432 -3.156 0.431 1.00 0.00 C ATOM 1275 CG2 VAL A 95 0.446 -3.422 2.094 1.00 0.00 C ATOM 1276 HA VAL A 95 -0.405 -0.867 1.042 1.00 0.00 H ATOM 1277 HB VAL A 95 -1.619 -3.145 2.556 1.00 0.00 H ATOM 1278 HG11 VAL A 95 -2.428 -2.736 0.289 1.00 0.00 H ATOM 1279 HG12 VAL A 95 -0.759 -2.763 -0.331 1.00 0.00 H ATOM 1280 HG13 VAL A 95 -1.479 -4.242 0.351 1.00 0.00 H ATOM 1281 HG21 VAL A 95 1.183 -3.037 1.389 1.00 0.00 H ATOM 1282 HG22 VAL A 95 0.759 -3.188 3.112 1.00 0.00 H ATOM 1283 HG23 VAL A 95 0.360 -4.502 1.978 1.00 0.00 H ATOM 1284 H VAL A 95 0.050 -1.541 3.925 1.00 0.00 H ATOM 1285 N GLY A 96 -2.463 0.395 1.309 1.00 0.00 N ATOM 1286 CA GLY A 96 -3.729 1.109 1.367 1.00 0.00 C ATOM 1287 C GLY A 96 -3.956 1.920 0.089 1.00 0.00 C ATOM 1288 O GLY A 96 -3.146 1.871 -0.834 1.00 0.00 O ATOM 1289 HA3 GLY A 96 -3.719 1.785 2.222 1.00 0.00 H ATOM 1290 HA2 GLY A 96 -4.540 0.390 1.483 1.00 0.00 H ATOM 1291 H GLY A 96 -1.755 0.664 0.597 1.00 0.00 H ATOM 1292 N LEU A 97 -5.065 2.646 0.079 1.00 0.00 N ATOM 1293 CA LEU A 97 -5.410 3.467 -1.069 1.00 0.00 C ATOM 1294 C LEU A 97 -5.182 4.941 -0.725 1.00 0.00 C ATOM 1295 O LEU A 97 -5.207 5.318 0.445 1.00 0.00 O ATOM 1296 CB LEU A 97 -6.833 3.159 -1.539 1.00 0.00 C ATOM 1297 CG LEU A 97 -7.797 2.646 -0.467 1.00 0.00 C ATOM 1298 CD1 LEU A 97 -7.411 1.238 -0.012 1.00 0.00 C ATOM 1299 CD2 LEU A 97 -7.885 3.624 0.705 1.00 0.00 C ATOM 1300 HA LEU A 97 -4.761 3.233 -1.913 1.00 0.00 H ATOM 1301 HB2 LEU A 97 -7.253 4.075 -1.955 1.00 0.00 H ATOM 1302 HB3 LEU A 97 -6.770 2.402 -2.321 1.00 0.00 H ATOM 1303 HG LEU A 97 -8.793 2.581 -0.906 1.00 0.00 H ATOM 1304 HD21 LEU A 97 -6.898 3.744 1.151 1.00 0.00 H ATOM 1305 HD22 LEU A 97 -8.243 4.589 0.345 1.00 0.00 H ATOM 1306 HD23 LEU A 97 -8.577 3.234 1.451 1.00 0.00 H ATOM 1307 HD11 LEU A 97 -7.443 0.560 -0.865 1.00 0.00 H ATOM 1308 HD12 LEU A 97 -6.403 1.255 0.403 1.00 0.00 H ATOM 1309 HD13 LEU A 97 -8.113 0.899 0.750 1.00 0.00 H ATOM 1310 H LEU A 97 -5.697 2.628 0.905 1.00 0.00 H ATOM 1311 N SER A 98 -4.966 5.731 -1.766 1.00 0.00 N ATOM 1312 CA SER A 98 -4.733 7.155 -1.585 1.00 0.00 C ATOM 1313 C SER A 98 -5.987 7.942 -1.977 1.00 0.00 C ATOM 1314 O SER A 98 -6.732 7.528 -2.864 1.00 0.00 O ATOM 1315 CB SER A 98 -3.533 7.625 -2.412 1.00 0.00 C ATOM 1316 OG SER A 98 -3.923 8.487 -3.477 1.00 0.00 O ATOM 1317 HA SER A 98 -4.510 7.336 -0.534 1.00 0.00 H ATOM 1318 HB2 SER A 98 -3.031 6.753 -2.831 1.00 0.00 H ATOM 1319 HB3 SER A 98 -2.844 8.161 -1.759 1.00 0.00 H ATOM 1320 HG SER A 98 -4.374 9.286 -3.105 1.00 0.00 H ATOM 1321 H SER A 98 -4.963 5.328 -2.725 1.00 0.00 H ATOM 1322 N ASP A 99 -6.178 9.062 -1.297 1.00 0.00 N ATOM 1323 CA ASP A 99 -7.328 9.910 -1.560 1.00 0.00 C ATOM 1324 C ASP A 99 -6.930 11.005 -2.555 1.00 0.00 C ATOM 1325 O ASP A 99 -5.748 11.306 -2.713 1.00 0.00 O ATOM 1326 CB ASP A 99 -7.815 10.592 -0.280 1.00 0.00 C ATOM 1327 CG ASP A 99 -7.334 9.944 1.020 1.00 0.00 C ATOM 1328 OD1 ASP A 99 -7.707 8.773 1.244 1.00 0.00 O ATOM 1329 OD2 ASP A 99 -6.605 10.636 1.762 1.00 0.00 O ATOM 1330 HA ASP A 99 -8.125 9.283 -1.960 1.00 0.00 H ATOM 1331 HB2 ASP A 99 -7.466 11.625 -0.293 1.00 0.00 H ATOM 1332 HB3 ASP A 99 -8.905 10.578 -0.282 1.00 0.00 H ATOM 1333 H ASP A 99 -5.495 9.339 -0.564 1.00 0.00 H ATOM 1334 N ALA A 100 -7.942 11.566 -3.203 1.00 0.00 N ATOM 1335 CA ALA A 100 -7.713 12.617 -4.178 1.00 0.00 C ATOM 1336 C ALA A 100 -7.742 13.975 -3.472 1.00 0.00 C ATOM 1337 O ALA A 100 -7.841 15.014 -4.122 1.00 0.00 O ATOM 1338 CB ALA A 100 -8.757 12.516 -5.291 1.00 0.00 C ATOM 1339 HA ALA A 100 -6.732 12.506 -4.640 1.00 0.00 H ATOM 1340 HB1 ALA A 100 -8.675 11.544 -5.777 1.00 0.00 H ATOM 1341 HB2 ALA A 100 -9.754 12.627 -4.864 1.00 0.00 H ATOM 1342 HB3 ALA A 100 -8.584 13.306 -6.022 1.00 0.00 H ATOM 1343 H ALA A 100 -8.913 11.249 -3.010 1.00 0.00 H ATOM 1344 N ALA A 101 -7.652 13.923 -2.152 1.00 0.00 N ATOM 1345 CA ALA A 101 -7.665 15.136 -1.352 1.00 0.00 C ATOM 1346 C ALA A 101 -6.229 15.521 -0.993 1.00 0.00 C ATOM 1347 O ALA A 101 -5.918 16.701 -0.837 1.00 0.00 O ATOM 1348 CB ALA A 101 -8.538 14.921 -0.114 1.00 0.00 C ATOM 1349 HA ALA A 101 -8.096 15.963 -1.916 1.00 0.00 H ATOM 1350 HB1 ALA A 101 -9.554 14.679 -0.425 1.00 0.00 H ATOM 1351 HB2 ALA A 101 -8.132 14.100 0.477 1.00 0.00 H ATOM 1352 HB3 ALA A 101 -8.547 15.831 0.485 1.00 0.00 H ATOM 1353 H ALA A 101 -7.571 13.000 -1.680 1.00 0.00 H ATOM 1354 N GLY A 102 -5.389 14.503 -0.873 1.00 0.00 N ATOM 1355 CA GLY A 102 -3.992 14.720 -0.535 1.00 0.00 C ATOM 1356 C GLY A 102 -3.697 14.267 0.896 1.00 0.00 C ATOM 1357 O GLY A 102 -2.966 14.935 1.625 1.00 0.00 O ATOM 1358 HA3 GLY A 102 -3.763 15.782 -0.627 1.00 0.00 H ATOM 1359 HA2 GLY A 102 -3.366 14.154 -1.225 1.00 0.00 H ATOM 1360 H GLY A 102 -5.735 13.534 -1.023 1.00 0.00 H ATOM 1361 N ASN A 103 -4.281 13.132 1.255 1.00 0.00 N ATOM 1362 CA ASN A 103 -4.091 12.582 2.587 1.00 0.00 C ATOM 1363 C ASN A 103 -3.862 11.073 2.482 1.00 0.00 C ATOM 1364 O ASN A 103 -4.206 10.459 1.472 1.00 0.00 O ATOM 1365 CB ASN A 103 -5.323 12.813 3.460 1.00 0.00 C ATOM 1366 CG ASN A 103 -6.086 14.062 3.012 1.00 0.00 C ATOM 1367 OD1 ASN A 103 -7.258 14.017 2.669 1.00 0.00 O ATOM 1368 ND2 ASN A 103 -5.362 15.177 3.034 1.00 0.00 N ATOM 1369 HA ASN A 103 -3.232 13.080 3.038 1.00 0.00 H ATOM 1370 HB2 ASN A 103 -5.981 11.947 3.385 1.00 0.00 H ATOM 1371 HB3 ASN A 103 -5.008 12.940 4.496 1.00 0.00 H ATOM 1372 HD22 ASN A 103 -4.368 15.145 3.337 1.00 0.00 H ATOM 1373 HD21 ASN A 103 -5.790 16.081 2.748 1.00 0.00 H ATOM 1374 H ASN A 103 -4.884 12.628 0.574 1.00 0.00 H ATOM 1375 N GLY A 104 -3.282 10.519 3.537 1.00 0.00 N ATOM 1376 CA GLY A 104 -3.004 9.093 3.576 1.00 0.00 C ATOM 1377 C GLY A 104 -3.529 8.468 4.869 1.00 0.00 C ATOM 1378 O GLY A 104 -2.748 8.016 5.706 1.00 0.00 O ATOM 1379 HA3 GLY A 104 -1.927 8.938 3.516 1.00 0.00 H ATOM 1380 HA2 GLY A 104 -3.487 8.612 2.725 1.00 0.00 H ATOM 1381 H GLY A 104 -3.022 11.114 4.349 1.00 0.00 H ATOM 1382 N PRO A 105 -4.882 8.461 4.996 1.00 0.00 N ATOM 1383 CA PRO A 105 -5.521 7.898 6.175 1.00 0.00 C ATOM 1384 C PRO A 105 -5.482 6.369 6.140 1.00 0.00 C ATOM 1385 O PRO A 105 -5.300 5.726 7.173 1.00 0.00 O ATOM 1386 CB PRO A 105 -6.934 8.457 6.160 1.00 0.00 C ATOM 1387 CG PRO A 105 -7.180 8.936 4.738 1.00 0.00 C ATOM 1388 CD PRO A 105 -5.838 8.988 4.025 1.00 0.00 C ATOM 1389 HA PRO A 105 -5.011 8.166 7.100 1.00 0.00 H ATOM 1390 HD3 PRO A 105 -5.855 8.370 3.127 1.00 0.00 H ATOM 1391 HD2 PRO A 105 -5.586 10.013 3.754 1.00 0.00 H ATOM 1392 HG3 PRO A 105 -7.630 9.928 4.754 1.00 0.00 H ATOM 1393 HG2 PRO A 105 -7.847 8.244 4.224 1.00 0.00 H ATOM 1394 HB2 PRO A 105 -7.651 7.681 6.428 1.00 0.00 H ATOM 1395 HB3 PRO A 105 -7.020 9.288 6.860 1.00 0.00 H ATOM 1396 N GLU A 106 -5.655 5.832 4.943 1.00 0.00 N ATOM 1397 CA GLU A 106 -5.642 4.389 4.762 1.00 0.00 C ATOM 1398 C GLU A 106 -4.218 3.901 4.492 1.00 0.00 C ATOM 1399 O GLU A 106 -3.416 4.613 3.889 1.00 0.00 O ATOM 1400 CB GLU A 106 -6.588 3.970 3.634 1.00 0.00 C ATOM 1401 CG GLU A 106 -7.828 3.272 4.191 1.00 0.00 C ATOM 1402 CD GLU A 106 -8.501 4.124 5.268 1.00 0.00 C ATOM 1403 OE1 GLU A 106 -8.076 4.001 6.437 1.00 0.00 O ATOM 1404 OE2 GLU A 106 -9.426 4.881 4.899 1.00 0.00 O ATOM 1405 HA GLU A 106 -5.997 3.924 5.682 1.00 0.00 H ATOM 1406 HB2 GLU A 106 -6.896 4.856 3.079 1.00 0.00 H ATOM 1407 HB3 GLU A 106 -6.065 3.287 2.964 1.00 0.00 H ATOM 1408 HG2 GLU A 106 -8.535 3.100 3.379 1.00 0.00 H ATOM 1409 HG3 GLU A 106 -7.534 2.316 4.625 1.00 0.00 H ATOM 1410 H GLU A 106 -5.802 6.451 4.120 1.00 0.00 H ATOM 1411 N GLY A 107 -3.943 2.689 4.953 1.00 0.00 N ATOM 1412 CA GLY A 107 -2.631 2.098 4.770 1.00 0.00 C ATOM 1413 C GLY A 107 -2.226 1.269 5.992 1.00 0.00 C ATOM 1414 O GLY A 107 -1.961 1.819 7.059 1.00 0.00 O ATOM 1415 HA3 GLY A 107 -1.900 2.892 4.620 1.00 0.00 H ATOM 1416 HA2 GLY A 107 -2.650 1.453 3.892 1.00 0.00 H ATOM 1417 H GLY A 107 -4.680 2.153 5.454 1.00 0.00 H ATOM 1418 N VAL A 108 -2.193 -0.040 5.792 1.00 0.00 N ATOM 1419 CA VAL A 108 -1.827 -0.952 6.864 1.00 0.00 C ATOM 1420 C VAL A 108 -0.369 -1.381 6.687 1.00 0.00 C ATOM 1421 O VAL A 108 -0.014 -1.987 5.677 1.00 0.00 O ATOM 1422 CB VAL A 108 -2.798 -2.133 6.902 1.00 0.00 C ATOM 1423 CG1 VAL A 108 -2.902 -2.801 5.529 1.00 0.00 C ATOM 1424 CG2 VAL A 108 -2.388 -3.145 7.974 1.00 0.00 C ATOM 1425 HA VAL A 108 -1.904 -0.455 7.831 1.00 0.00 H ATOM 1426 HB VAL A 108 -3.784 -1.748 7.163 1.00 0.00 H ATOM 1427 HG11 VAL A 108 -3.261 -2.075 4.800 1.00 0.00 H ATOM 1428 HG12 VAL A 108 -1.920 -3.165 5.228 1.00 0.00 H ATOM 1429 HG13 VAL A 108 -3.599 -3.637 5.585 1.00 0.00 H ATOM 1430 HG21 VAL A 108 -1.388 -3.520 7.754 1.00 0.00 H ATOM 1431 HG22 VAL A 108 -2.389 -2.659 8.950 1.00 0.00 H ATOM 1432 HG23 VAL A 108 -3.096 -3.974 7.979 1.00 0.00 H ATOM 1433 H VAL A 108 -2.432 -0.421 4.854 1.00 0.00 H ATOM 1434 N ALA A 109 0.439 -1.049 7.685 1.00 0.00 N ATOM 1435 CA ALA A 109 1.849 -1.392 7.652 1.00 0.00 C ATOM 1436 C ALA A 109 1.998 -2.916 7.638 1.00 0.00 C ATOM 1437 O ALA A 109 2.137 -3.538 8.690 1.00 0.00 O ATOM 1438 CB ALA A 109 2.561 -0.748 8.842 1.00 0.00 C ATOM 1439 HA ALA A 109 2.316 -1.006 6.746 1.00 0.00 H ATOM 1440 HB1 ALA A 109 2.449 0.335 8.788 1.00 0.00 H ATOM 1441 HB2 ALA A 109 2.120 -1.114 9.769 1.00 0.00 H ATOM 1442 HB3 ALA A 109 3.619 -1.007 8.814 1.00 0.00 H ATOM 1443 H ALA A 109 0.056 -0.535 8.504 1.00 0.00 H ATOM 1444 N ILE A 110 1.966 -3.472 6.436 1.00 0.00 N ATOM 1445 CA ILE A 110 2.096 -4.909 6.272 1.00 0.00 C ATOM 1446 C ILE A 110 3.580 -5.279 6.204 1.00 0.00 C ATOM 1447 O ILE A 110 4.408 -4.462 5.807 1.00 0.00 O ATOM 1448 CB ILE A 110 1.289 -5.386 5.062 1.00 0.00 C ATOM 1449 CG1 ILE A 110 0.670 -6.761 5.326 1.00 0.00 C ATOM 1450 CG2 ILE A 110 2.142 -5.373 3.795 1.00 0.00 C ATOM 1451 CD1 ILE A 110 -0.286 -6.715 6.517 1.00 0.00 C ATOM 1452 HA ILE A 110 1.676 -5.429 7.133 1.00 0.00 H ATOM 1453 HB ILE A 110 0.467 -4.689 4.901 1.00 0.00 H ATOM 1454 HG12 ILE A 110 0.121 -7.080 4.440 1.00 0.00 H ATOM 1455 HG13 ILE A 110 1.466 -7.476 5.536 1.00 0.00 H ATOM 1456 HD11 ILE A 110 0.259 -6.401 7.407 1.00 0.00 H ATOM 1457 HD12 ILE A 110 -1.087 -6.005 6.311 1.00 0.00 H ATOM 1458 HD13 ILE A 110 -0.710 -7.706 6.680 1.00 0.00 H ATOM 1459 HG21 ILE A 110 2.492 -4.358 3.604 1.00 0.00 H ATOM 1460 HG22 ILE A 110 2.998 -6.035 3.928 1.00 0.00 H ATOM 1461 HG23 ILE A 110 1.543 -5.717 2.952 1.00 0.00 H ATOM 1462 H ILE A 110 1.846 -2.870 5.597 1.00 0.00 H ATOM 1463 N SER A 111 3.868 -6.510 6.601 1.00 0.00 N ATOM 1464 CA SER A 111 5.238 -6.998 6.589 1.00 0.00 C ATOM 1465 C SER A 111 5.384 -8.165 7.566 1.00 0.00 C ATOM 1466 O SER A 111 5.800 -9.255 7.178 1.00 0.00 O ATOM 1467 CB SER A 111 6.220 -5.880 6.946 1.00 0.00 C ATOM 1468 OG SER A 111 5.635 -4.904 7.801 1.00 0.00 O ATOM 1469 HA SER A 111 5.472 -7.344 5.582 1.00 0.00 H ATOM 1470 HB2 SER A 111 6.546 -5.392 6.027 1.00 0.00 H ATOM 1471 HB3 SER A 111 7.082 -6.317 7.450 1.00 0.00 H ATOM 1472 HG SER A 111 4.855 -4.496 7.349 1.00 0.00 H ATOM 1473 H SER A 111 3.104 -7.136 6.926 1.00 0.00 H ATOM 1474 N PHE A 112 5.034 -7.898 8.816 1.00 0.00 N ATOM 1475 CA PHE A 112 5.122 -8.916 9.850 1.00 0.00 C ATOM 1476 C PHE A 112 4.085 -8.670 10.950 1.00 0.00 C ATOM 1477 O PHE A 112 4.040 -7.587 11.533 1.00 0.00 O ATOM 1478 CB PHE A 112 6.523 -8.816 10.457 1.00 0.00 C ATOM 1479 CG PHE A 112 6.708 -9.638 11.735 1.00 0.00 C ATOM 1480 CD1 PHE A 112 6.326 -10.942 11.766 1.00 0.00 C ATOM 1481 CD2 PHE A 112 7.252 -9.062 12.840 1.00 0.00 C ATOM 1482 CE1 PHE A 112 6.497 -11.705 12.952 1.00 0.00 C ATOM 1483 CE2 PHE A 112 7.425 -9.824 14.025 1.00 0.00 C ATOM 1484 CZ PHE A 112 7.041 -11.129 14.057 1.00 0.00 C ATOM 1485 HA PHE A 112 4.933 -9.900 9.421 1.00 0.00 H ATOM 1486 HB2 PHE A 112 7.243 -9.165 9.717 1.00 0.00 H ATOM 1487 HB3 PHE A 112 6.722 -7.770 10.690 1.00 0.00 H ATOM 1488 HD2 PHE A 112 7.555 -8.015 12.816 1.00 0.00 H ATOM 1489 HE2 PHE A 112 7.865 -9.364 14.909 1.00 0.00 H ATOM 1490 HZ PHE A 112 7.170 -11.713 14.969 1.00 0.00 H ATOM 1491 HE1 PHE A 112 6.192 -12.751 12.976 1.00 0.00 H ATOM 1492 HD1 PHE A 112 5.888 -11.403 10.880 1.00 0.00 H ATOM 1493 H PHE A 112 4.692 -6.947 9.061 1.00 0.00 H ATOM 1494 N ASN A 113 3.279 -9.691 11.197 1.00 0.00 N ATOM 1495 CA ASN A 113 2.247 -9.598 12.215 1.00 0.00 C ATOM 1496 C ASN A 113 2.870 -9.121 13.529 1.00 0.00 C ATOM 1497 O ASN A 113 2.192 -8.526 14.363 1.00 0.00 O ATOM 1498 CB ASN A 113 1.600 -10.962 12.469 1.00 0.00 C ATOM 1499 CG ASN A 113 0.337 -10.821 13.322 1.00 0.00 C ATOM 1500 OD1 ASN A 113 -0.021 -9.745 13.772 1.00 0.00 O ATOM 1501 ND2 ASN A 113 -0.312 -11.964 13.521 1.00 0.00 N ATOM 1502 HA ASN A 113 1.490 -8.897 11.862 1.00 0.00 H ATOM 1503 HB2 ASN A 113 1.336 -11.415 11.513 1.00 0.00 H ATOM 1504 HB3 ASN A 113 2.312 -11.603 12.989 1.00 0.00 H ATOM 1505 HD22 ASN A 113 0.050 -12.847 13.107 1.00 0.00 H ATOM 1506 HD21 ASN A 113 -1.182 -11.976 14.091 1.00 0.00 H ATOM 1507 H ASN A 113 3.386 -10.572 10.655 1.00 0.00 H TER 1508 ASN A 113 HETATM 1509 C1 NCZ A 1 0.683 7.124 1.283 1.00 -0.04 C HETATM 1510 C6 NCZ A 1 0.269 6.768 -0.004 1.00 -0.03 C HETATM 1511 C5 NCZ A 1 -0.513 5.606 -0.166 1.00 -0.02 C HETATM 1512 C7 NCZ A 1 -0.936 5.191 -1.424 1.00 -0.06 C HETATM 1513 C8 NCZ A 1 -0.548 5.913 -2.536 1.00 -0.02 C HETATM 1514 C9 NCZ A 1 0.238 7.073 -2.405 1.00 0.11 C HETATM 1515 C10 NCZ A 1 0.629 7.551 -1.122 1.00 0.08 C HETATM 1516 C11 NCZ A 1 1.021 8.934 -0.969 1.00 0.25 C HETATM 1517 O3 NCZ A 1 1.495 9.548 -1.925 1.00 -0.37 O HETATM 1518 O4 NCZ A 1 0.932 9.684 0.291 1.00 -0.27 O HETATM 1519 C12 NCZ A 1 0.829 11.144 0.232 1.00 0.15 C HETATM 1520 C13 NCZ A 1 0.389 11.739 1.574 1.00 0.11 C HETATM 1521 C14 NCZ A 1 -0.937 11.940 1.549 1.00 -0.07 C HETATM 1522 C15 NCZ A 1 -1.527 11.779 0.196 1.00 -0.07 C HETATM 1523 C16 NCZ A 1 -0.308 11.546 -0.720 1.00 0.11 C HETATM 1524 O6 NCZ A 1 -0.026 12.791 -1.419 1.00 -0.38 O HETATM 1525 H9 NCZ A 1 0.723 12.669 -1.990 1.00 0.21 H HETATM 1526 H8 NCZ A 1 -0.502 10.745 -1.448 1.00 0.07 H HETATM 1527 H7 NCZ A 1 -2.578 11.817 -0.085 1.00 0.05 H HETATM 1528 H6 NCZ A 1 -1.522 12.195 2.432 1.00 0.05 H HETATM 1529 O5 NCZ A 1 1.048 12.988 1.790 1.00 -0.38 O HETATM 1530 H10 NCZ A 1 1.988 12.850 1.808 1.00 0.21 H HETATM 1531 H5 NCZ A 1 0.644 11.043 2.387 1.00 0.07 H HETATM 1532 H4 NCZ A 1 1.791 11.570 -0.090 1.00 0.07 H HETATM 1533 O2 NCZ A 1 0.579 7.747 -3.589 1.00 -0.33 O HETATM 1534 H11 NCZ A 1 1.525 7.798 -3.662 1.00 0.25 H HETATM 1535 H3 NCZ A 1 -0.853 5.582 -3.522 1.00 0.06 H HETATM 1536 H2 NCZ A 1 -1.562 4.312 -1.531 1.00 0.07 H HETATM 1537 C4 NCZ A 1 -0.870 4.887 0.952 1.00 -0.04 C HETATM 1538 C3 NCZ A 1 -0.451 5.286 2.213 1.00 -0.03 C HETATM 1539 C2 NCZ A 1 0.332 6.401 2.390 1.00 0.08 C HETATM 1540 O1 NCZ A 1 0.736 6.745 3.670 1.00 -0.32 O HETATM 1541 C17 NCZ A 1 1.176 8.056 4.080 1.00 0.06 C HETATM 1542 H13 NCZ A 1 1.435 8.038 5.149 1.00 0.06 H HETATM 1543 H14 NCZ A 1 0.369 8.784 3.910 1.00 0.06 H HETATM 1544 H15 NCZ A 1 2.060 8.346 3.494 1.00 0.06 H HETATM 1545 H12 NCZ A 1 -0.748 4.705 3.078 1.00 0.05 H HETATM 1546 C18 NCZ A 1 -1.731 3.667 0.874 1.00 -0.03 C HETATM 1547 H16 NCZ A 1 -1.988 3.466 -0.176 1.00 0.04 H HETATM 1548 H17 NCZ A 1 -2.652 3.831 1.452 1.00 0.04 H HETATM 1549 H18 NCZ A 1 -1.186 2.806 1.289 1.00 0.04 H HETATM 1550 H1 NCZ A 1 1.304 8.004 1.408 1.00 0.04 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 470 469 608 CONECT 608 470 607 CONECT 1189 1188 1247 CONECT 1247 1189 1246 CONECT 1509 1510 1539 1550 CONECT 1510 1509 1511 1515 CONECT 1511 1510 1512 1537 CONECT 1512 1511 1513 1536 CONECT 1513 1512 1514 1535 CONECT 1514 1513 1515 1533 CONECT 1515 1510 1514 1516 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 1519 CONECT 1519 1518 1520 1523 1532 CONECT 1520 1519 1521 1529 1531 CONECT 1521 1520 1522 1528 CONECT 1522 1521 1523 1527 CONECT 1523 1519 1522 1524 1526 CONECT 1524 1523 1525 CONECT 1525 1524 CONECT 1526 1523 CONECT 1527 1522 CONECT 1528 1521 CONECT 1529 1520 1530 CONECT 1530 1529 CONECT 1531 1520 CONECT 1532 1519 CONECT 1533 1514 1534 CONECT 1534 1533 CONECT 1535 1513 CONECT 1536 1512 CONECT 1537 1511 1538 1546 CONECT 1538 1537 1539 1545 CONECT 1539 1509 1538 1540 CONECT 1540 1539 1541 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1538 CONECT 1546 1537 1547 1548 1549 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1546 CONECT 1550 1509 MASTER 0 0 0 0 0 0 0 0 1549 1 50 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1j5i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1o5p
RCSB PDB
PDBbind
113aa, >1O5P_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1j5i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
neocarzinostatin
Ligand Name
NCZ
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=230uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v41 pp. 11731-9, 2002
Ligand Properties
Formula
C
1
8
H
1
8
O
6
Molecular Weight
330.332
Exact Mass
330.110
No. of atoms
42
No. of bonds
44
Polar Surface Area
96.22
LOGP Value
2.55 (
Computed with XLOGP3
)
1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1cc(C)c2c(c1)c(C(=O)O[C@@H]1[C@@H](O)C=C[C@H]1O)c(cc2)O
InChI String
InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17+
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):
P0A3R9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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娌叕缃戝畨澶囷細
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