Browse entries in the PDBbind-CN Database
HEADER 3T3Y_COMPLEX COMPND 3T3Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 199 ALA ALA GLY ALA VAL ILE LEU ARG ARG PHE ALA PHE ASN SEQRES 2 A 199 ALA ALA GLU GLN LEU ILE ARG ASP ILE ASN ASP VAL ALA SEQRES 3 A 199 SER GLN SER PRO PHE ARG GLN MET VAL THR PRO GLY GLY SEQRES 4 A 199 TYR THR MET SER VAL ALA MET THR ASN CYS GLY HIS LEU SEQRES 5 A 199 GLY TRP THR THR HIS ARG GLN GLY TYR LEU TYR SER PRO SEQRES 6 A 199 ILE ASP PRO GLN THR ASN LYS PRO TRP PRO ALA MET PRO SEQRES 7 A 199 GLN SER PHE HIS ASN LEU CYS GLN ARG ALA ALA THR ALA SEQRES 8 A 199 ALA GLY TYR PRO ASP PHE GLN PRO ASP ALA CYS LEU ILE SEQRES 9 A 199 ASN ARG TYR ALA PRO GLY ALA LYS LEU SER LEU HIS GLN SEQRES 10 A 199 ASP LYS ASP GLU PRO ASP LEU ARG ALA PRO ILE VAL SER SEQRES 11 A 199 VAL SER LEU GLY LEU PRO ALA ILE PHE GLN PHE GLY GLY SEQRES 12 A 199 LEU LYS ARG ASN ASP PRO LEU LYS ARG LEU LEU LEU GLU SEQRES 13 A 199 HIS GLY ASP VAL VAL VAL TRP GLY GLY GLU SER ARG LEU SEQRES 14 A 199 PHE TYR HIS GLY ILE GLN PRO LEU LYS ALA GLY PHE HIS SEQRES 15 A 199 PRO LEU THR ILE ASP CYS ARG TYR ASN LEU THR PHE ARG SEQRES 16 A 199 GLN ALA GLY LYS HET FE A 1 1 HET MD A 6 19 ATOM 1 N ALA A 16 -4.412 14.725 6.945 1.00 53.98 N ATOM 2 CA ALA A 16 -4.239 14.401 8.359 1.00 53.69 C ATOM 3 C ALA A 16 -2.865 14.838 8.865 1.00 50.01 C ATOM 4 O ALA A 16 -1.914 14.929 8.091 1.00 49.18 O ATOM 5 CB ALA A 16 -4.444 12.911 8.589 1.00 53.11 C ATOM 6 HA ALA A 16 -4.992 14.950 8.925 1.00 0.00 H ATOM 7 HB1 ALA A 16 -5.452 12.632 8.280 1.00 0.00 H ATOM 8 HB2 ALA A 16 -3.715 12.351 8.003 1.00 0.00 H ATOM 9 HB3 ALA A 16 -4.312 12.686 9.647 1.00 0.00 H ATOM 10 HN3 ALA A 16 -3.683 14.237 6.387 1.00 0.00 H ATOM 11 HN2 ALA A 16 -4.322 15.753 6.812 1.00 0.00 H ATOM 12 HN1 ALA A 16 -5.354 14.416 6.632 1.00 0.00 H ATOM 13 N ALA A 17 -2.768 15.109 10.165 1.00 48.48 N ATOM 14 CA ALA A 17 -1.510 15.533 10.778 1.00 45.78 C ATOM 15 C ALA A 17 -0.404 14.512 10.563 1.00 43.16 C ATOM 16 O ALA A 17 -0.537 13.345 10.937 1.00 43.35 O ATOM 17 CB ALA A 17 -1.699 15.798 12.268 1.00 49.13 C ATOM 18 HA ALA A 17 -1.208 16.459 10.289 1.00 0.00 H ATOM 19 HB1 ALA A 17 -2.441 16.585 12.405 1.00 0.00 H ATOM 20 HB2 ALA A 17 -2.040 14.886 12.758 1.00 0.00 H ATOM 21 HB3 ALA A 17 -0.750 16.112 12.703 1.00 0.00 H ATOM 22 H ALA A 17 -3.614 15.016 10.763 1.00 0.00 H ATOM 23 N GLY A 18 0.689 14.959 9.957 1.00 39.96 N ATOM 24 CA GLY A 18 1.833 14.103 9.732 1.00 38.79 C ATOM 25 C GLY A 18 1.874 13.544 8.324 1.00 39.75 C ATOM 26 O GLY A 18 2.945 13.213 7.817 1.00 41.22 O ATOM 27 HA3 GLY A 18 1.792 13.272 10.437 1.00 0.00 H ATOM 28 HA2 GLY A 18 2.741 14.680 9.905 1.00 0.00 H ATOM 29 H GLY A 18 0.724 15.948 9.636 1.00 0.00 H ATOM 30 N ALA A 19 0.709 13.431 7.693 1.00 37.70 N ATOM 31 CA ALA A 19 0.623 12.895 6.332 1.00 35.94 C ATOM 32 C ALA A 19 0.833 13.994 5.293 1.00 35.30 C ATOM 33 O ALA A 19 0.278 15.096 5.403 1.00 37.04 O ATOM 34 CB ALA A 19 -0.725 12.193 6.109 1.00 34.49 C ATOM 35 HA ALA A 19 1.419 12.160 6.211 1.00 0.00 H ATOM 36 HB1 ALA A 19 -0.827 11.372 6.819 1.00 0.00 H ATOM 37 HB2 ALA A 19 -1.534 12.908 6.259 1.00 0.00 H ATOM 38 HB3 ALA A 19 -0.766 11.803 5.092 1.00 0.00 H ATOM 39 H ALA A 19 -0.162 13.730 8.177 1.00 0.00 H ATOM 40 N VAL A 20 1.649 13.692 4.294 1.00 30.50 N ATOM 41 CA VAL A 20 1.971 14.641 3.241 1.00 32.52 C ATOM 42 C VAL A 20 1.422 14.146 1.903 1.00 31.64 C ATOM 43 O VAL A 20 1.781 13.056 1.461 1.00 29.88 O ATOM 44 CB VAL A 20 3.508 14.768 3.101 1.00 34.01 C ATOM 45 CG1 VAL A 20 3.875 15.487 1.812 1.00 35.46 C ATOM 46 CG2 VAL A 20 4.101 15.466 4.320 1.00 37.19 C ATOM 47 HA VAL A 20 1.528 15.603 3.500 1.00 0.00 H ATOM 48 HB VAL A 20 3.936 13.767 3.051 1.00 0.00 H ATOM 49 HG11 VAL A 20 3.489 14.925 0.961 1.00 0.00 H ATOM 50 HG12 VAL A 20 3.438 16.486 1.817 1.00 0.00 H ATOM 51 HG13 VAL A 20 4.960 15.564 1.736 1.00 0.00 H ATOM 52 HG21 VAL A 20 3.670 16.463 4.412 1.00 0.00 H ATOM 53 HG22 VAL A 20 3.874 14.887 5.215 1.00 0.00 H ATOM 54 HG23 VAL A 20 5.182 15.545 4.202 1.00 0.00 H ATOM 55 H VAL A 20 2.074 12.743 4.262 1.00 0.00 H ATOM 56 N ILE A 21 0.576 14.931 1.247 1.00 32.05 N ATOM 57 CA ILE A 21 0.079 14.529 -0.069 1.00 31.51 C ATOM 58 C ILE A 21 0.851 15.237 -1.172 1.00 27.76 C ATOM 59 O ILE A 21 0.875 16.469 -1.225 1.00 28.01 O ATOM 60 CB ILE A 21 -1.430 14.819 -0.250 1.00 35.91 C ATOM 61 CG1 ILE A 21 -2.206 14.440 1.011 1.00 39.24 C ATOM 62 CG2 ILE A 21 -1.974 14.075 -1.467 1.00 36.08 C ATOM 63 CD1 ILE A 21 -2.997 15.592 1.605 1.00 42.06 C ATOM 64 HA ILE A 21 0.228 13.451 -0.136 1.00 0.00 H ATOM 65 HB ILE A 21 -1.559 15.888 -0.418 1.00 0.00 H ATOM 66 HG12 ILE A 21 -2.900 13.637 0.761 1.00 0.00 H ATOM 67 HG13 ILE A 21 -1.497 14.086 1.759 1.00 0.00 H ATOM 68 HD11 ILE A 21 -2.315 16.400 1.871 1.00 0.00 H ATOM 69 HD12 ILE A 21 -3.720 15.951 0.872 1.00 0.00 H ATOM 70 HD13 ILE A 21 -3.522 15.249 2.497 1.00 0.00 H ATOM 71 HG21 ILE A 21 -1.440 14.401 -2.359 1.00 0.00 H ATOM 72 HG22 ILE A 21 -1.832 13.003 -1.329 1.00 0.00 H ATOM 73 HG23 ILE A 21 -3.037 14.291 -1.578 1.00 0.00 H ATOM 74 H ILE A 21 0.267 15.830 1.668 1.00 0.00 H ATOM 75 N LEU A 22 1.477 14.461 -2.050 1.00 24.15 N ATOM 76 CA LEU A 22 2.180 15.017 -3.207 1.00 27.51 C ATOM 77 C LEU A 22 1.438 14.668 -4.492 1.00 26.80 C ATOM 78 O LEU A 22 1.724 13.655 -5.132 1.00 25.62 O ATOM 79 CB LEU A 22 3.609 14.474 -3.274 1.00 28.59 C ATOM 80 CG LEU A 22 4.368 14.609 -1.955 1.00 31.15 C ATOM 81 CD1 LEU A 22 5.565 13.690 -1.920 1.00 29.95 C ATOM 82 CD2 LEU A 22 4.771 16.069 -1.731 1.00 35.86 C ATOM 83 HA LEU A 22 2.217 16.101 -3.099 1.00 0.00 H ATOM 84 HB2 LEU A 22 3.566 13.419 -3.543 1.00 0.00 H ATOM 85 HB3 LEU A 22 4.152 15.022 -4.044 1.00 0.00 H ATOM 86 HG LEU A 22 3.711 14.308 -1.139 1.00 0.00 H ATOM 87 HD21 LEU A 22 5.411 16.398 -2.550 1.00 0.00 H ATOM 88 HD22 LEU A 22 3.876 16.690 -1.696 1.00 0.00 H ATOM 89 HD23 LEU A 22 5.311 16.155 -0.788 1.00 0.00 H ATOM 90 HD11 LEU A 22 5.232 12.658 -2.027 1.00 0.00 H ATOM 91 HD12 LEU A 22 6.239 13.942 -2.738 1.00 0.00 H ATOM 92 HD13 LEU A 22 6.085 13.809 -0.969 1.00 0.00 H ATOM 93 H LEU A 22 1.467 13.430 -1.911 1.00 0.00 H ATOM 94 N ARG A 23 0.498 15.513 -4.882 1.00 24.56 N ATOM 95 CA ARG A 23 -0.358 15.181 -6.013 1.00 29.22 C ATOM 96 C ARG A 23 0.395 15.073 -7.341 1.00 31.57 C ATOM 97 O ARG A 23 1.178 15.946 -7.697 1.00 31.33 O ATOM 98 CB ARG A 23 -1.536 16.155 -6.104 1.00 30.54 C ATOM 99 CG ARG A 23 -2.578 15.894 -5.029 1.00 29.79 C ATOM 100 CD ARG A 23 -3.837 16.718 -5.234 1.00 31.86 C ATOM 101 NE ARG A 23 -4.852 16.358 -4.249 1.00 32.43 N ATOM 102 CZ ARG A 23 -4.970 16.918 -3.047 1.00 33.80 C ATOM 103 NH1 ARG A 23 -4.132 17.876 -2.657 1.00 32.97 N ATOM 104 NH2 ARG A 23 -5.925 16.511 -2.224 1.00 33.82 N ATOM 105 HA ARG A 23 -0.749 14.181 -5.823 1.00 0.00 H ATOM 106 HB2 ARG A 23 -1.161 17.172 -5.991 1.00 0.00 H ATOM 107 HB3 ARG A 23 -2.005 16.049 -7.082 1.00 0.00 H ATOM 108 HG2 ARG A 23 -2.844 14.837 -5.047 1.00 0.00 H ATOM 109 HG3 ARG A 23 -2.150 16.143 -4.058 1.00 0.00 H ATOM 110 HD2 ARG A 23 -4.227 16.534 -6.235 1.00 0.00 H ATOM 111 HD3 ARG A 23 -3.595 17.775 -5.129 1.00 0.00 H ATOM 112 HE ARG A 23 -5.530 15.612 -4.504 1.00 0.00 H ATOM 113 HH12 ARG A 23 -4.235 18.305 -1.715 1.00 0.00 H ATOM 114 HH11 ARG A 23 -3.374 18.195 -3.294 1.00 0.00 H ATOM 115 HH22 ARG A 23 -6.021 16.945 -1.284 1.00 0.00 H ATOM 116 HH21 ARG A 23 -6.578 15.757 -2.518 1.00 0.00 H ATOM 117 H ARG A 23 0.370 16.415 -4.381 1.00 0.00 H ATOM 118 N ARG A 24 0.153 13.981 -8.058 1.00 31.63 N ATOM 119 CA ARG A 24 0.789 13.751 -9.351 1.00 33.81 C ATOM 120 C ARG A 24 2.310 13.663 -9.262 1.00 33.02 C ATOM 121 O ARG A 24 2.999 13.810 -10.265 1.00 36.45 O ATOM 122 CB ARG A 24 0.380 14.835 -10.346 1.00 37.38 C ATOM 123 CG ARG A 24 -0.962 14.574 -11.001 1.00 40.56 C ATOM 124 CD ARG A 24 -1.360 15.732 -11.904 1.00 47.68 C ATOM 125 NE ARG A 24 -2.431 15.360 -12.825 1.00 51.55 N ATOM 126 CZ ARG A 24 -2.304 15.330 -14.148 1.00 57.02 C ATOM 127 NH1 ARG A 24 -1.148 15.664 -14.714 1.00 59.56 N ATOM 128 NH2 ARG A 24 -3.337 14.977 -14.908 1.00 59.06 N ATOM 129 HA ARG A 24 0.438 12.781 -9.702 1.00 0.00 H ATOM 130 HB2 ARG A 24 0.328 15.787 -9.818 1.00 0.00 H ATOM 131 HB3 ARG A 24 1.140 14.894 -11.125 1.00 0.00 H ATOM 132 HG2 ARG A 24 -0.898 13.663 -11.596 1.00 0.00 H ATOM 133 HG3 ARG A 24 -1.719 14.448 -10.227 1.00 0.00 H ATOM 134 HD2 ARG A 24 -0.490 16.044 -12.482 1.00 0.00 H ATOM 135 HD3 ARG A 24 -1.700 16.562 -11.284 1.00 0.00 H ATOM 136 HE ARG A 24 -3.353 15.102 -12.419 1.00 0.00 H ATOM 137 HH12 ARG A 24 -1.050 15.640 -15.749 1.00 0.00 H ATOM 138 HH11 ARG A 24 -0.342 15.949 -14.122 1.00 0.00 H ATOM 139 HH22 ARG A 24 -3.237 14.954 -15.943 1.00 0.00 H ATOM 140 HH21 ARG A 24 -4.244 14.724 -14.467 1.00 0.00 H ATOM 141 H ARG A 24 -0.509 13.270 -7.687 1.00 0.00 H ATOM 142 N PHE A 25 2.833 13.422 -8.066 1.00 30.63 N ATOM 143 CA PHE A 25 4.273 13.291 -7.893 1.00 31.81 C ATOM 144 C PHE A 25 4.832 12.134 -8.725 1.00 31.17 C ATOM 145 O PHE A 25 5.962 12.204 -9.224 1.00 31.87 O ATOM 146 CB PHE A 25 4.617 13.087 -6.421 1.00 33.02 C ATOM 147 CG PHE A 25 6.091 13.214 -6.117 1.00 33.83 C ATOM 148 CD1 PHE A 25 6.654 14.456 -5.859 1.00 35.95 C ATOM 149 CD2 PHE A 25 6.908 12.092 -6.095 1.00 32.04 C ATOM 150 CE1 PHE A 25 8.013 14.579 -5.581 1.00 37.77 C ATOM 151 CE2 PHE A 25 8.255 12.203 -5.812 1.00 34.87 C ATOM 152 CZ PHE A 25 8.814 13.451 -5.555 1.00 35.44 C ATOM 153 HA PHE A 25 4.733 14.215 -8.243 1.00 0.00 H ATOM 154 HB2 PHE A 25 4.079 13.833 -5.835 1.00 0.00 H ATOM 155 HB3 PHE A 25 4.289 12.090 -6.126 1.00 0.00 H ATOM 156 HD2 PHE A 25 6.481 11.111 -6.304 1.00 0.00 H ATOM 157 HE2 PHE A 25 8.882 11.311 -5.790 1.00 0.00 H ATOM 158 HZ PHE A 25 9.878 13.540 -5.334 1.00 0.00 H ATOM 159 HE1 PHE A 25 8.444 15.561 -5.385 1.00 0.00 H ATOM 160 HD1 PHE A 25 6.025 15.346 -5.874 1.00 0.00 H ATOM 161 H PHE A 25 2.206 13.325 -7.242 1.00 0.00 H ATOM 162 N ALA A 26 4.039 11.075 -8.880 1.00 27.16 N ATOM 163 CA ALA A 26 4.469 9.897 -9.638 1.00 25.63 C ATOM 164 C ALA A 26 3.893 9.867 -11.053 1.00 27.72 C ATOM 165 O ALA A 26 3.882 8.816 -11.700 1.00 28.75 O ATOM 166 CB ALA A 26 4.106 8.604 -8.881 1.00 21.92 C ATOM 167 HA ALA A 26 5.553 9.962 -9.736 1.00 0.00 H ATOM 168 HB1 ALA A 26 4.602 8.601 -7.910 1.00 0.00 H ATOM 169 HB2 ALA A 26 3.026 8.559 -8.739 1.00 0.00 H ATOM 170 HB3 ALA A 26 4.434 7.741 -9.461 1.00 0.00 H ATOM 171 H ALA A 26 3.091 11.085 -8.452 1.00 0.00 H ATOM 172 N PHE A 27 3.426 11.017 -11.540 1.00 26.23 N ATOM 173 CA PHE A 27 2.775 11.057 -12.847 1.00 30.63 C ATOM 174 C PHE A 27 3.712 10.716 -14.019 1.00 33.76 C ATOM 175 O PHE A 27 3.351 9.939 -14.911 1.00 32.03 O ATOM 176 CB PHE A 27 2.098 12.409 -13.082 1.00 33.79 C ATOM 177 CG PHE A 27 1.244 12.447 -14.318 1.00 38.45 C ATOM 178 CD1 PHE A 27 -0.097 12.099 -14.260 1.00 40.44 C ATOM 179 CD2 PHE A 27 1.782 12.819 -15.540 1.00 40.31 C ATOM 180 CE1 PHE A 27 -0.887 12.125 -15.395 1.00 43.22 C ATOM 181 CE2 PHE A 27 1.001 12.843 -16.677 1.00 44.69 C ATOM 182 CZ PHE A 27 -0.338 12.496 -16.606 1.00 46.32 C ATOM 183 HA PHE A 27 2.018 10.273 -12.822 1.00 0.00 H ATOM 184 HB2 PHE A 27 1.469 12.634 -12.221 1.00 0.00 H ATOM 185 HB3 PHE A 27 2.872 13.171 -13.174 1.00 0.00 H ATOM 186 HD2 PHE A 27 2.834 13.096 -15.603 1.00 0.00 H ATOM 187 HE2 PHE A 27 1.438 13.135 -17.632 1.00 0.00 H ATOM 188 HZ PHE A 27 -0.956 12.516 -17.503 1.00 0.00 H ATOM 189 HE1 PHE A 27 -1.941 11.853 -15.333 1.00 0.00 H ATOM 190 HD1 PHE A 27 -0.534 11.801 -13.307 1.00 0.00 H ATOM 191 H PHE A 27 3.526 11.891 -10.986 1.00 0.00 H ATOM 192 N ASN A 28 4.909 11.294 -14.014 1.00 36.04 N ATOM 193 CA ASN A 28 5.853 11.083 -15.102 1.00 36.86 C ATOM 194 C ASN A 28 6.462 9.686 -15.039 1.00 35.72 C ATOM 195 O ASN A 28 6.903 9.143 -16.046 1.00 38.09 O ATOM 196 CB ASN A 28 6.957 12.140 -15.071 1.00 41.53 C ATOM 197 CG ASN A 28 6.448 13.538 -15.410 1.00 46.90 C ATOM 198 OD1 ASN A 28 5.425 13.700 -16.081 1.00 46.30 O ATOM 199 ND2 ASN A 28 7.176 14.555 -14.955 1.00 49.34 N ATOM 200 HA ASN A 28 5.305 11.175 -16.040 1.00 0.00 H ATOM 201 HB2 ASN A 28 7.392 12.160 -14.072 1.00 0.00 H ATOM 202 HB3 ASN A 28 7.724 11.864 -15.794 1.00 0.00 H ATOM 203 HD22 ASN A 28 8.032 14.372 -14.393 1.00 0.00 H ATOM 204 HD21 ASN A 28 6.889 15.533 -15.162 1.00 0.00 H ATOM 205 H ASN A 28 5.176 11.908 -13.218 1.00 0.00 H ATOM 206 N ALA A 29 6.464 9.108 -13.845 1.00 32.46 N ATOM 207 CA ALA A 29 7.041 7.793 -13.609 1.00 30.88 C ATOM 208 C ALA A 29 6.030 6.659 -13.792 1.00 30.90 C ATOM 209 O ALA A 29 6.410 5.490 -13.842 1.00 29.19 O ATOM 210 CB ALA A 29 7.627 7.743 -12.207 1.00 28.02 C ATOM 211 HA ALA A 29 7.822 7.642 -14.354 1.00 0.00 H ATOM 212 HB1 ALA A 29 8.402 8.504 -12.111 1.00 0.00 H ATOM 213 HB2 ALA A 29 6.839 7.931 -11.478 1.00 0.00 H ATOM 214 HB3 ALA A 29 8.059 6.758 -12.030 1.00 0.00 H ATOM 215 H ALA A 29 6.036 9.615 -13.045 1.00 0.00 H ATOM 216 N ALA A 30 4.745 7.005 -13.883 1.00 31.73 N ATOM 217 CA ALA A 30 3.667 6.013 -13.866 1.00 28.39 C ATOM 218 C ALA A 30 3.824 4.874 -14.889 1.00 29.45 C ATOM 219 O ALA A 30 3.626 3.707 -14.566 1.00 28.98 O ATOM 220 CB ALA A 30 2.324 6.693 -14.045 1.00 27.45 C ATOM 221 HA ALA A 30 3.726 5.538 -12.887 1.00 0.00 H ATOM 222 HB1 ALA A 30 2.167 7.404 -13.234 1.00 0.00 H ATOM 223 HB2 ALA A 30 2.309 7.220 -14.999 1.00 0.00 H ATOM 224 HB3 ALA A 30 1.533 5.943 -14.030 1.00 0.00 H ATOM 225 H ALA A 30 4.500 8.012 -13.969 1.00 0.00 H ATOM 226 N GLU A 31 4.152 5.218 -16.124 1.00 32.99 N ATOM 227 CA GLU A 31 4.225 4.218 -17.182 1.00 35.57 C ATOM 228 C GLU A 31 5.255 3.146 -16.836 1.00 34.80 C ATOM 229 O GLU A 31 4.968 1.954 -16.899 1.00 35.61 O ATOM 230 CB GLU A 31 4.570 4.887 -18.504 1.00 41.35 C ATOM 231 CG GLU A 31 4.139 4.091 -19.713 1.00 48.17 C ATOM 232 CD GLU A 31 4.129 4.928 -20.979 1.00 54.87 C ATOM 233 OE1 GLU A 31 4.196 4.335 -22.077 1.00 59.56 O ATOM 234 OE2 GLU A 31 4.055 6.175 -20.873 1.00 55.24 O ATOM 235 HA GLU A 31 3.253 3.734 -17.277 1.00 0.00 H ATOM 236 HB2 GLU A 31 4.078 5.859 -18.538 1.00 0.00 H ATOM 237 HB3 GLU A 31 5.650 5.026 -18.549 1.00 0.00 H ATOM 238 HG2 GLU A 31 4.828 3.258 -19.849 1.00 0.00 H ATOM 239 HG3 GLU A 31 3.134 3.705 -19.539 1.00 0.00 H ATOM 240 H GLU A 31 4.360 6.213 -16.342 1.00 0.00 H ATOM 241 N GLN A 32 6.445 3.586 -16.448 1.00 33.80 N ATOM 242 CA GLN A 32 7.509 2.678 -16.055 1.00 35.83 C ATOM 243 C GLN A 32 7.135 1.859 -14.824 1.00 31.44 C ATOM 244 O GLN A 32 7.419 0.662 -14.754 1.00 26.95 O ATOM 245 CB GLN A 32 8.803 3.443 -15.788 1.00 37.92 C ATOM 246 CG GLN A 32 9.953 2.531 -15.408 1.00 40.17 C ATOM 247 CD GLN A 32 10.264 1.522 -16.500 1.00 42.95 C ATOM 248 OE1 GLN A 32 10.396 1.884 -17.673 1.00 45.26 O ATOM 249 NE2 GLN A 32 10.364 0.247 -16.124 1.00 40.20 N ATOM 250 HA GLN A 32 7.661 1.990 -16.886 1.00 0.00 H ATOM 251 HB2 GLN A 32 9.076 3.992 -16.689 1.00 0.00 H ATOM 252 HB3 GLN A 32 8.631 4.146 -14.973 1.00 0.00 H ATOM 253 HG2 GLN A 32 10.840 3.139 -15.227 1.00 0.00 H ATOM 254 HG3 GLN A 32 9.690 1.994 -14.497 1.00 0.00 H ATOM 255 HE22 GLN A 32 10.245 -0.011 -15.124 1.00 0.00 H ATOM 256 HE21 GLN A 32 10.561 -0.490 -16.831 1.00 0.00 H ATOM 257 H GLN A 32 6.621 4.611 -16.424 1.00 0.00 H ATOM 258 N LEU A 33 6.510 2.503 -13.842 1.00 28.91 N ATOM 259 CA LEU A 33 6.108 1.799 -12.636 1.00 25.18 C ATOM 260 C LEU A 33 5.152 0.675 -12.993 1.00 23.43 C ATOM 261 O LEU A 33 5.209 -0.400 -12.411 1.00 23.87 O ATOM 262 CB LEU A 33 5.423 2.750 -11.642 1.00 26.18 C ATOM 263 CG LEU A 33 6.295 3.830 -11.000 1.00 26.09 C ATOM 264 CD1 LEU A 33 5.440 4.792 -10.194 1.00 23.16 C ATOM 265 CD2 LEU A 33 7.349 3.176 -10.109 1.00 25.38 C ATOM 266 HA LEU A 33 7.004 1.392 -12.167 1.00 0.00 H ATOM 267 HB2 LEU A 33 4.614 3.252 -12.172 1.00 0.00 H ATOM 268 HB3 LEU A 33 5.007 2.142 -10.838 1.00 0.00 H ATOM 269 HG LEU A 33 6.796 4.396 -11.785 1.00 0.00 H ATOM 270 HD21 LEU A 33 6.855 2.598 -9.328 1.00 0.00 H ATOM 271 HD22 LEU A 33 7.974 2.516 -10.711 1.00 0.00 H ATOM 272 HD23 LEU A 33 7.968 3.949 -9.654 1.00 0.00 H ATOM 273 HD11 LEU A 33 4.712 5.267 -10.851 1.00 0.00 H ATOM 274 HD12 LEU A 33 4.919 4.243 -9.409 1.00 0.00 H ATOM 275 HD13 LEU A 33 6.077 5.553 -9.745 1.00 0.00 H ATOM 276 H LEU A 33 6.307 3.519 -13.938 1.00 0.00 H ATOM 277 N ILE A 34 4.245 0.940 -13.931 1.00 23.34 N ATOM 278 CA ILE A 34 3.236 -0.053 -14.286 1.00 24.85 C ATOM 279 C ILE A 34 3.863 -1.239 -15.015 1.00 27.72 C ATOM 280 O ILE A 34 3.489 -2.390 -14.773 1.00 27.38 O ATOM 281 CB ILE A 34 2.060 0.576 -15.075 1.00 28.32 C ATOM 282 CG1 ILE A 34 1.209 1.433 -14.123 1.00 25.36 C ATOM 283 CG2 ILE A 34 1.200 -0.508 -15.690 1.00 29.41 C ATOM 284 CD1 ILE A 34 0.432 2.534 -14.782 1.00 27.89 C ATOM 285 HA ILE A 34 2.809 -0.438 -13.360 1.00 0.00 H ATOM 286 HB ILE A 34 2.461 1.200 -15.874 1.00 0.00 H ATOM 287 HG12 ILE A 34 0.502 0.776 -13.617 1.00 0.00 H ATOM 288 HG13 ILE A 34 1.875 1.883 -13.387 1.00 0.00 H ATOM 289 HD11 ILE A 34 1.121 3.214 -15.283 1.00 0.00 H ATOM 290 HD12 ILE A 34 -0.253 2.106 -15.514 1.00 0.00 H ATOM 291 HD13 ILE A 34 -0.135 3.079 -14.027 1.00 0.00 H ATOM 292 HG21 ILE A 34 1.805 -1.108 -16.370 1.00 0.00 H ATOM 293 HG22 ILE A 34 0.800 -1.144 -14.901 1.00 0.00 H ATOM 294 HG23 ILE A 34 0.379 -0.050 -16.241 1.00 0.00 H ATOM 295 H ILE A 34 4.256 1.861 -14.414 1.00 0.00 H ATOM 296 N ARG A 35 4.847 -0.963 -15.869 1.00 30.19 N ATOM 297 CA ARG A 35 5.618 -2.023 -16.516 1.00 33.01 C ATOM 298 C ARG A 35 6.295 -2.907 -15.480 1.00 32.87 C ATOM 299 O ARG A 35 6.370 -4.132 -15.636 1.00 32.51 O ATOM 300 CB ARG A 35 6.687 -1.434 -17.449 1.00 36.74 C ATOM 301 CG ARG A 35 6.160 -0.991 -18.799 1.00 40.21 C ATOM 302 CD ARG A 35 7.294 -0.786 -19.799 1.00 41.19 C ATOM 303 NE ARG A 35 8.089 0.394 -19.479 1.00 41.14 N ATOM 304 CZ ARG A 35 7.807 1.615 -19.917 1.00 44.75 C ATOM 305 NH1 ARG A 35 6.759 1.808 -20.704 1.00 46.56 N ATOM 306 NH2 ARG A 35 8.572 2.644 -19.575 1.00 46.69 N ATOM 307 HA ARG A 35 4.921 -2.622 -17.103 1.00 0.00 H ATOM 308 HB2 ARG A 35 7.133 -0.570 -16.956 1.00 0.00 H ATOM 309 HB3 ARG A 35 7.453 -2.192 -17.613 1.00 0.00 H ATOM 310 HG2 ARG A 35 5.482 -1.753 -19.183 1.00 0.00 H ATOM 311 HG3 ARG A 35 5.619 -0.052 -18.678 1.00 0.00 H ATOM 312 HD2 ARG A 35 6.869 -0.666 -20.796 1.00 0.00 H ATOM 313 HD3 ARG A 35 7.941 -1.663 -19.784 1.00 0.00 H ATOM 314 HE ARG A 35 8.925 0.272 -18.873 1.00 0.00 H ATOM 315 HH12 ARG A 35 6.536 2.764 -21.048 1.00 0.00 H ATOM 316 HH11 ARG A 35 6.159 1.004 -20.978 1.00 0.00 H ATOM 317 HH22 ARG A 35 8.346 3.598 -19.922 1.00 0.00 H ATOM 318 HH21 ARG A 35 9.398 2.496 -18.960 1.00 0.00 H ATOM 319 H ARG A 35 5.072 0.030 -16.081 1.00 0.00 H ATOM 320 N ASP A 36 6.808 -2.279 -14.427 1.00 30.43 N ATOM 321 CA ASP A 36 7.506 -3.011 -13.369 1.00 28.51 C ATOM 322 C ASP A 36 6.557 -3.808 -12.484 1.00 26.64 C ATOM 323 O ASP A 36 6.884 -4.916 -12.079 1.00 26.72 O ATOM 324 CB ASP A 36 8.392 -2.070 -12.542 1.00 28.58 C ATOM 325 CG ASP A 36 9.662 -1.674 -13.287 1.00 32.44 C ATOM 326 OD1 ASP A 36 10.159 -2.510 -14.069 1.00 36.08 O ATOM 327 OD2 ASP A 36 10.151 -0.538 -13.110 1.00 31.45 O ATOM 328 HA ASP A 36 8.151 -3.740 -13.860 1.00 0.00 H ATOM 329 HB2 ASP A 36 7.826 -1.168 -12.309 1.00 0.00 H ATOM 330 HB3 ASP A 36 8.670 -2.573 -11.616 1.00 0.00 H ATOM 331 H ASP A 36 6.711 -1.246 -14.353 1.00 0.00 H ATOM 332 N ILE A 37 5.391 -3.243 -12.174 1.00 25.04 N ATOM 333 CA ILE A 37 4.324 -4.043 -11.576 1.00 25.41 C ATOM 334 C ILE A 37 4.068 -5.327 -12.375 1.00 25.96 C ATOM 335 O ILE A 37 4.069 -6.433 -11.818 1.00 23.12 O ATOM 336 CB ILE A 37 3.006 -3.253 -11.474 1.00 26.42 C ATOM 337 CG1 ILE A 37 3.127 -2.127 -10.437 1.00 24.65 C ATOM 338 CG2 ILE A 37 1.873 -4.190 -11.095 1.00 27.21 C ATOM 339 CD1 ILE A 37 1.913 -1.194 -10.403 1.00 25.00 C ATOM 340 HA ILE A 37 4.664 -4.302 -10.573 1.00 0.00 H ATOM 341 HB ILE A 37 2.793 -2.805 -12.444 1.00 0.00 H ATOM 342 HG12 ILE A 37 3.244 -2.577 -9.451 1.00 0.00 H ATOM 343 HG13 ILE A 37 4.011 -1.535 -10.672 1.00 0.00 H ATOM 344 HD11 ILE A 37 1.788 -0.727 -11.380 1.00 0.00 H ATOM 345 HD12 ILE A 37 1.021 -1.770 -10.158 1.00 0.00 H ATOM 346 HD13 ILE A 37 2.069 -0.424 -9.648 1.00 0.00 H ATOM 347 HG21 ILE A 37 1.773 -4.963 -11.857 1.00 0.00 H ATOM 348 HG22 ILE A 37 2.092 -4.652 -10.133 1.00 0.00 H ATOM 349 HG23 ILE A 37 0.944 -3.625 -11.025 1.00 0.00 H ATOM 350 H ILE A 37 5.240 -2.231 -12.358 1.00 0.00 H ATOM 351 N ASN A 38 3.843 -5.185 -13.682 1.00 30.19 N ATOM 352 CA ASN A 38 3.629 -6.349 -14.545 1.00 33.47 C ATOM 353 C ASN A 38 4.766 -7.356 -14.437 1.00 32.33 C ATOM 354 O ASN A 38 4.534 -8.556 -14.345 1.00 32.65 O ATOM 355 CB ASN A 38 3.455 -5.930 -16.008 1.00 37.83 C ATOM 356 CG ASN A 38 2.143 -5.210 -16.256 1.00 41.43 C ATOM 357 OD1 ASN A 38 1.175 -5.385 -15.517 1.00 39.76 O ATOM 358 ND2 ASN A 38 2.102 -4.406 -17.316 1.00 45.68 N ATOM 359 HA ASN A 38 2.713 -6.827 -14.198 1.00 0.00 H ATOM 360 HB2 ASN A 38 4.275 -5.266 -16.281 1.00 0.00 H ATOM 361 HB3 ASN A 38 3.488 -6.822 -16.633 1.00 0.00 H ATOM 362 HD22 ASN A 38 2.946 -4.289 -17.913 1.00 0.00 H ATOM 363 HD21 ASN A 38 1.226 -3.895 -17.548 1.00 0.00 H ATOM 364 H ASN A 38 3.819 -4.231 -14.096 1.00 0.00 H ATOM 365 N ASP A 39 5.995 -6.859 -14.438 1.00 32.38 N ATOM 366 CA ASP A 39 7.163 -7.730 -14.301 1.00 33.34 C ATOM 367 C ASP A 39 7.189 -8.422 -12.940 1.00 31.69 C ATOM 368 O ASP A 39 7.509 -9.603 -12.850 1.00 32.57 O ATOM 369 CB ASP A 39 8.456 -6.950 -14.511 1.00 33.04 C ATOM 370 CG ASP A 39 9.691 -7.831 -14.401 1.00 40.73 C ATOM 371 OD1 ASP A 39 10.579 -7.513 -13.582 1.00 42.64 O ATOM 372 OD2 ASP A 39 9.781 -8.840 -15.139 1.00 43.85 O ATOM 373 HA ASP A 39 7.085 -8.495 -15.073 1.00 0.00 H ATOM 374 HB2 ASP A 39 8.435 -6.499 -15.503 1.00 0.00 H ATOM 375 HB3 ASP A 39 8.518 -6.165 -13.757 1.00 0.00 H ATOM 376 H ASP A 39 6.131 -5.833 -14.538 1.00 0.00 H ATOM 377 N VAL A 40 6.867 -7.694 -11.876 1.00 28.56 N ATOM 378 CA VAL A 40 6.853 -8.306 -10.540 1.00 26.17 C ATOM 379 C VAL A 40 5.788 -9.399 -10.482 1.00 25.70 C ATOM 380 O VAL A 40 6.045 -10.499 -9.995 1.00 25.76 O ATOM 381 CB VAL A 40 6.633 -7.254 -9.417 1.00 22.62 C ATOM 382 CG1 VAL A 40 6.215 -7.919 -8.087 1.00 17.92 C ATOM 383 CG2 VAL A 40 7.876 -6.390 -9.238 1.00 17.75 C ATOM 384 HA VAL A 40 7.832 -8.752 -10.364 1.00 0.00 H ATOM 385 HB VAL A 40 5.811 -6.607 -9.724 1.00 0.00 H ATOM 386 HG11 VAL A 40 5.284 -8.467 -8.233 1.00 0.00 H ATOM 387 HG12 VAL A 40 6.996 -8.608 -7.765 1.00 0.00 H ATOM 388 HG13 VAL A 40 6.071 -7.151 -7.328 1.00 0.00 H ATOM 389 HG21 VAL A 40 8.721 -7.023 -8.968 1.00 0.00 H ATOM 390 HG22 VAL A 40 8.093 -5.870 -10.171 1.00 0.00 H ATOM 391 HG23 VAL A 40 7.699 -5.661 -8.447 1.00 0.00 H ATOM 392 H VAL A 40 6.624 -6.689 -11.989 1.00 0.00 H ATOM 393 N ALA A 41 4.604 -9.099 -11.014 1.00 27.04 N ATOM 394 CA ALA A 41 3.473 -10.034 -10.999 1.00 27.03 C ATOM 395 C ALA A 41 3.672 -11.254 -11.899 1.00 30.19 C ATOM 396 O ALA A 41 3.009 -12.273 -11.721 1.00 32.13 O ATOM 397 CB ALA A 41 2.165 -9.309 -11.360 1.00 25.03 C ATOM 398 HA ALA A 41 3.411 -10.414 -9.979 1.00 0.00 H ATOM 399 HB1 ALA A 41 1.978 -8.517 -10.635 1.00 0.00 H ATOM 400 HB2 ALA A 41 2.254 -8.877 -12.357 1.00 0.00 H ATOM 401 HB3 ALA A 41 1.340 -10.021 -11.343 1.00 0.00 H ATOM 402 H ALA A 41 4.476 -8.167 -11.457 1.00 0.00 H ATOM 403 N SER A 42 4.569 -11.145 -12.870 1.00 31.06 N ATOM 404 CA SER A 42 4.906 -12.288 -13.719 1.00 33.19 C ATOM 405 C SER A 42 5.691 -13.340 -12.932 1.00 35.56 C ATOM 406 O SER A 42 5.766 -14.505 -13.342 1.00 39.64 O ATOM 407 CB SER A 42 5.713 -11.842 -14.942 1.00 30.55 C ATOM 408 OG SER A 42 7.083 -11.681 -14.627 1.00 32.45 O ATOM 409 HA SER A 42 3.971 -12.733 -14.061 1.00 0.00 H ATOM 410 HB2 SER A 42 5.317 -10.892 -15.301 1.00 0.00 H ATOM 411 HB3 SER A 42 5.615 -12.594 -15.725 1.00 0.00 H ATOM 412 HG SER A 42 7.179 -10.995 -13.920 1.00 0.00 H ATOM 413 H SER A 42 5.041 -10.232 -13.031 1.00 0.00 H ATOM 414 N GLN A 43 6.276 -12.925 -11.807 1.00 32.26 N ATOM 415 CA GLN A 43 7.058 -13.828 -10.955 1.00 34.41 C ATOM 416 C GLN A 43 6.303 -14.219 -9.688 1.00 34.38 C ATOM 417 O GLN A 43 6.202 -15.405 -9.364 1.00 33.36 O ATOM 418 CB GLN A 43 8.396 -13.192 -10.571 1.00 34.86 C ATOM 419 CG GLN A 43 9.215 -12.674 -11.737 1.00 36.34 C ATOM 420 CD GLN A 43 10.329 -11.765 -11.278 1.00 39.23 C ATOM 421 OE1 GLN A 43 11.216 -12.183 -10.538 1.00 39.67 O ATOM 422 NE2 GLN A 43 10.275 -10.499 -11.693 1.00 41.57 N ATOM 423 HA GLN A 43 7.237 -14.731 -11.539 1.00 0.00 H ATOM 424 HB2 GLN A 43 8.194 -12.356 -9.901 1.00 0.00 H ATOM 425 HB3 GLN A 43 8.989 -13.941 -10.047 1.00 0.00 H ATOM 426 HG2 GLN A 43 9.647 -13.521 -12.269 1.00 0.00 H ATOM 427 HG3 GLN A 43 8.561 -12.119 -12.410 1.00 0.00 H ATOM 428 HE22 GLN A 43 9.505 -10.190 -12.320 1.00 0.00 H ATOM 429 HE21 GLN A 43 11.003 -9.821 -11.390 1.00 0.00 H ATOM 430 H GLN A 43 6.174 -11.929 -11.525 1.00 0.00 H ATOM 431 N SER A 44 5.809 -13.210 -8.963 1.00 30.95 N ATOM 432 CA SER A 44 4.904 -13.407 -7.828 1.00 29.22 C ATOM 433 C SER A 44 3.539 -12.831 -8.205 1.00 28.15 C ATOM 434 O SER A 44 3.300 -11.625 -8.019 1.00 23.49 O ATOM 435 CB SER A 44 5.426 -12.693 -6.572 1.00 27.50 C ATOM 436 OG SER A 44 6.331 -13.503 -5.830 1.00 29.72 O ATOM 437 HA SER A 44 4.833 -14.472 -7.606 1.00 0.00 H ATOM 438 HB2 SER A 44 4.579 -12.439 -5.935 1.00 0.00 H ATOM 439 HB3 SER A 44 5.939 -11.780 -6.874 1.00 0.00 H ATOM 440 HG SER A 44 5.872 -14.332 -5.545 1.00 0.00 H ATOM 441 H SER A 44 6.080 -12.239 -9.217 1.00 0.00 H ATOM 442 N PRO A 45 2.645 -13.683 -8.749 1.00 27.58 N ATOM 443 CA PRO A 45 1.334 -13.261 -9.271 1.00 28.64 C ATOM 444 C PRO A 45 0.430 -12.589 -8.227 1.00 28.47 C ATOM 445 O PRO A 45 0.526 -12.883 -7.030 1.00 25.84 O ATOM 446 CB PRO A 45 0.693 -14.585 -9.733 1.00 31.36 C ATOM 447 CG PRO A 45 1.851 -15.538 -9.910 1.00 28.34 C ATOM 448 CD PRO A 45 2.850 -15.139 -8.870 1.00 28.56 C ATOM 449 HA PRO A 45 1.455 -12.509 -10.051 1.00 0.00 H ATOM 450 HD3 PRO A 45 2.652 -15.642 -7.924 1.00 0.00 H ATOM 451 HD2 PRO A 45 3.865 -15.366 -9.195 1.00 0.00 H ATOM 452 HG3 PRO A 45 2.278 -15.440 -10.908 1.00 0.00 H ATOM 453 HG2 PRO A 45 1.527 -16.567 -9.754 1.00 0.00 H ATOM 454 HB2 PRO A 45 0.000 -14.959 -8.979 1.00 0.00 H ATOM 455 HB3 PRO A 45 0.163 -14.446 -10.675 1.00 0.00 H ATOM 456 N PHE A 46 -0.448 -11.698 -8.684 1.00 29.77 N ATOM 457 CA PHE A 46 -1.465 -11.136 -7.809 1.00 30.84 C ATOM 458 C PHE A 46 -2.343 -12.259 -7.277 1.00 34.61 C ATOM 459 O PHE A 46 -2.735 -13.162 -8.022 1.00 35.68 O ATOM 460 CB PHE A 46 -2.336 -10.118 -8.559 1.00 31.77 C ATOM 461 CG PHE A 46 -1.698 -8.765 -8.712 1.00 29.19 C ATOM 462 CD1 PHE A 46 -1.090 -8.396 -9.903 1.00 29.45 C ATOM 463 CD2 PHE A 46 -1.687 -7.872 -7.663 1.00 26.67 C ATOM 464 CE1 PHE A 46 -0.496 -7.148 -10.040 1.00 25.68 C ATOM 465 CE2 PHE A 46 -1.100 -6.628 -7.798 1.00 24.73 C ATOM 466 CZ PHE A 46 -0.503 -6.270 -8.986 1.00 23.58 C ATOM 467 HA PHE A 46 -0.970 -10.622 -6.985 1.00 0.00 H ATOM 468 HB2 PHE A 46 -2.547 -10.513 -9.553 1.00 0.00 H ATOM 469 HB3 PHE A 46 -3.271 -9.997 -8.012 1.00 0.00 H ATOM 470 HD2 PHE A 46 -2.147 -8.150 -6.715 1.00 0.00 H ATOM 471 HE2 PHE A 46 -1.110 -5.929 -6.962 1.00 0.00 H ATOM 472 HZ PHE A 46 -0.037 -5.290 -9.089 1.00 0.00 H ATOM 473 HE1 PHE A 46 -0.026 -6.867 -10.982 1.00 0.00 H ATOM 474 HD1 PHE A 46 -1.078 -9.093 -10.741 1.00 0.00 H ATOM 475 H PHE A 46 -0.406 -11.400 -9.680 1.00 0.00 H ATOM 476 N ARG A 47 -2.645 -12.214 -5.985 1.00 35.44 N ATOM 477 CA ARG A 47 -3.622 -13.128 -5.417 1.00 37.27 C ATOM 478 C ARG A 47 -4.512 -12.380 -4.431 1.00 36.22 C ATOM 479 O ARG A 47 -4.083 -11.401 -3.811 1.00 32.63 O ATOM 480 CB ARG A 47 -2.938 -14.344 -4.769 1.00 38.60 C ATOM 481 CG ARG A 47 -2.288 -14.128 -3.397 1.00 36.04 C ATOM 482 CD ARG A 47 -1.123 -13.134 -3.390 1.00 32.20 C ATOM 483 NE ARG A 47 -0.064 -13.412 -4.366 1.00 32.26 N ATOM 484 CZ ARG A 47 1.088 -14.031 -4.098 1.00 32.55 C ATOM 485 NH1 ARG A 47 1.353 -14.479 -2.875 1.00 31.30 N ATOM 486 NH2 ARG A 47 1.980 -14.210 -5.068 1.00 31.60 N ATOM 487 HA ARG A 47 -4.252 -13.517 -6.217 1.00 0.00 H ATOM 488 HB2 ARG A 47 -3.691 -15.124 -4.657 1.00 0.00 H ATOM 489 HB3 ARG A 47 -2.160 -14.686 -5.451 1.00 0.00 H ATOM 490 HG2 ARG A 47 -3.053 -13.760 -2.713 1.00 0.00 H ATOM 491 HG3 ARG A 47 -1.917 -15.089 -3.042 1.00 0.00 H ATOM 492 HD2 ARG A 47 -0.677 -13.142 -2.395 1.00 0.00 H ATOM 493 HD3 ARG A 47 -1.524 -12.142 -3.599 1.00 0.00 H ATOM 494 HE ARG A 47 -0.223 -13.102 -5.346 1.00 0.00 H ATOM 495 HH12 ARG A 47 2.255 -14.959 -2.681 1.00 0.00 H ATOM 496 HH11 ARG A 47 0.659 -14.349 -2.112 1.00 0.00 H ATOM 497 HH22 ARG A 47 2.879 -14.692 -4.865 1.00 0.00 H ATOM 498 HH21 ARG A 47 1.778 -13.868 -6.029 1.00 0.00 H ATOM 499 H ARG A 47 -2.177 -11.516 -5.372 1.00 0.00 H ATOM 500 N GLN A 48 -5.760 -12.821 -4.317 1.00 36.93 N ATOM 501 CA GLN A 48 -6.661 -12.306 -3.298 1.00 38.71 C ATOM 502 C GLN A 48 -6.455 -13.117 -2.037 1.00 41.30 C ATOM 503 O GLN A 48 -6.858 -14.286 -1.971 1.00 44.25 O ATOM 504 CB GLN A 48 -8.110 -12.449 -3.737 1.00 43.39 C ATOM 505 CG GLN A 48 -8.521 -11.565 -4.884 1.00 44.83 C ATOM 506 CD GLN A 48 -9.869 -11.977 -5.433 1.00 48.71 C ATOM 507 OE1 GLN A 48 -10.095 -13.151 -5.720 1.00 54.17 O ATOM 508 NE2 GLN A 48 -10.777 -11.022 -5.562 1.00 46.51 N ATOM 509 HA GLN A 48 -6.449 -11.250 -3.131 1.00 0.00 H ATOM 510 HB2 GLN A 48 -8.272 -13.485 -4.034 1.00 0.00 H ATOM 511 HB3 GLN A 48 -8.746 -12.213 -2.884 1.00 0.00 H ATOM 512 HG2 GLN A 48 -8.578 -10.534 -4.536 1.00 0.00 H ATOM 513 HG3 GLN A 48 -7.776 -11.639 -5.676 1.00 0.00 H ATOM 514 HE22 GLN A 48 -10.541 -10.042 -5.307 1.00 0.00 H ATOM 515 HE21 GLN A 48 -11.726 -11.252 -5.919 1.00 0.00 H ATOM 516 H GLN A 48 -6.101 -13.553 -4.973 1.00 0.00 H ATOM 517 N MET A 49 -5.838 -12.506 -1.033 1.00 38.47 N ATOM 518 CA MET A 49 -5.499 -13.238 0.176 1.00 43.36 C ATOM 519 C MET A 49 -6.755 -13.512 0.995 1.00 47.58 C ATOM 520 O MET A 49 -7.725 -12.757 0.936 1.00 45.79 O ATOM 521 CB MET A 49 -4.456 -12.475 1.000 1.00 41.81 C ATOM 522 CG MET A 49 -3.128 -12.264 0.267 1.00 40.98 C ATOM 523 SD MET A 49 -1.911 -11.353 1.241 1.00 55.89 S ATOM 524 CE MET A 49 -0.564 -11.163 0.062 1.00 39.50 C ATOM 525 HA MET A 49 -5.060 -14.195 -0.107 1.00 0.00 H ATOM 526 HB2 MET A 49 -4.867 -11.499 1.257 1.00 0.00 H ATOM 527 HB3 MET A 49 -4.260 -13.037 1.913 1.00 0.00 H ATOM 528 HG2 MET A 49 -3.323 -11.708 -0.650 1.00 0.00 H ATOM 529 HG3 MET A 49 -2.711 -13.240 0.018 1.00 0.00 H ATOM 530 HE1 MET A 49 -0.214 -12.147 -0.250 1.00 0.00 H ATOM 531 HE2 MET A 49 -0.919 -10.610 -0.807 1.00 0.00 H ATOM 532 HE3 MET A 49 0.254 -10.617 0.532 1.00 0.00 H ATOM 533 H MET A 49 -5.596 -11.498 -1.112 1.00 0.00 H ATOM 534 N VAL A 50 -6.740 -14.610 1.740 1.00 52.57 N ATOM 535 CA VAL A 50 -7.837 -14.926 2.637 1.00 56.29 C ATOM 536 C VAL A 50 -7.502 -14.438 4.042 1.00 59.50 C ATOM 537 O VAL A 50 -6.490 -14.837 4.624 1.00 59.23 O ATOM 538 CB VAL A 50 -8.129 -16.436 2.669 1.00 57.98 C ATOM 539 CG1 VAL A 50 -9.089 -16.760 3.790 1.00 59.94 C ATOM 540 CG2 VAL A 50 -8.684 -16.902 1.328 1.00 57.92 C ATOM 541 HA VAL A 50 -8.730 -14.421 2.268 1.00 0.00 H ATOM 542 HB VAL A 50 -7.195 -16.968 2.852 1.00 0.00 H ATOM 543 HG11 VAL A 50 -8.649 -16.462 4.741 1.00 0.00 H ATOM 544 HG12 VAL A 50 -10.023 -16.219 3.635 1.00 0.00 H ATOM 545 HG13 VAL A 50 -9.286 -17.832 3.800 1.00 0.00 H ATOM 546 HG21 VAL A 50 -9.609 -16.367 1.113 1.00 0.00 H ATOM 547 HG22 VAL A 50 -7.955 -16.699 0.544 1.00 0.00 H ATOM 548 HG23 VAL A 50 -8.884 -17.973 1.371 1.00 0.00 H ATOM 549 H VAL A 50 -5.927 -15.256 1.680 1.00 0.00 H ATOM 550 N THR A 51 -8.349 -13.556 4.568 1.00 62.22 N ATOM 551 CA THR A 51 -8.209 -13.058 5.933 1.00 65.02 C ATOM 552 C THR A 51 -8.362 -14.214 6.923 1.00 69.39 C ATOM 553 O THR A 51 -8.993 -15.221 6.603 1.00 72.20 O ATOM 554 CB THR A 51 -9.288 -11.997 6.243 1.00 65.98 C ATOM 555 OG1 THR A 51 -10.527 -12.645 6.557 1.00 69.90 O ATOM 556 CG2 THR A 51 -9.493 -11.079 5.047 1.00 63.24 C ATOM 557 HA THR A 51 -7.222 -12.606 6.029 1.00 0.00 H ATOM 558 HB THR A 51 -8.955 -11.403 7.094 1.00 0.00 H ATOM 559 HG1 THR A 51 -10.402 -13.228 7.348 1.00 0.00 H ATOM 560 HG23 THR A 51 -8.552 -10.584 4.805 1.00 0.00 H ATOM 561 HG21 THR A 51 -9.826 -11.667 4.192 1.00 0.00 H ATOM 562 HG22 THR A 51 -10.247 -10.330 5.290 1.00 0.00 H ATOM 563 H THR A 51 -9.138 -13.210 3.986 1.00 0.00 H ATOM 564 N PRO A 52 -7.775 -14.082 8.127 1.00 69.68 N ATOM 565 CA PRO A 52 -8.013 -15.071 9.186 1.00 73.13 C ATOM 566 C PRO A 52 -9.503 -15.196 9.515 1.00 75.40 C ATOM 567 O PRO A 52 -9.916 -16.144 10.190 1.00 79.33 O ATOM 568 CB PRO A 52 -7.245 -14.492 10.378 1.00 73.59 C ATOM 569 CG PRO A 52 -6.141 -13.700 9.752 1.00 68.95 C ATOM 570 CD PRO A 52 -6.747 -13.097 8.511 1.00 67.05 C ATOM 571 HA PRO A 52 -7.693 -16.074 8.905 1.00 0.00 H ATOM 572 HD3 PRO A 52 -7.195 -12.127 8.726 1.00 0.00 H ATOM 573 HD2 PRO A 52 -6.000 -12.985 7.725 1.00 0.00 H ATOM 574 HG3 PRO A 52 -5.303 -14.348 9.494 1.00 0.00 H ATOM 575 HG2 PRO A 52 -5.798 -12.918 10.430 1.00 0.00 H ATOM 576 HB2 PRO A 52 -7.889 -13.850 10.979 1.00 0.00 H ATOM 577 HB3 PRO A 52 -6.843 -15.289 11.004 1.00 0.00 H ATOM 578 N GLY A 53 -10.297 -14.243 9.032 1.00 73.02 N ATOM 579 CA GLY A 53 -11.740 -14.287 9.192 1.00 75.43 C ATOM 580 C GLY A 53 -12.412 -15.171 8.153 1.00 76.06 C ATOM 581 O GLY A 53 -13.624 -15.389 8.198 1.00 78.24 O ATOM 582 HA3 GLY A 53 -12.134 -13.275 9.098 1.00 0.00 H ATOM 583 HA2 GLY A 53 -11.971 -14.675 10.184 1.00 0.00 H ATOM 584 H GLY A 53 -9.871 -13.442 8.524 1.00 0.00 H ATOM 585 N GLY A 54 -11.621 -15.675 7.206 1.00 72.98 N ATOM 586 CA GLY A 54 -12.120 -16.588 6.192 1.00 71.54 C ATOM 587 C GLY A 54 -12.744 -15.900 4.991 1.00 67.85 C ATOM 588 O GLY A 54 -13.336 -16.547 4.129 1.00 68.08 O ATOM 589 HA3 GLY A 54 -12.874 -17.229 6.649 1.00 0.00 H ATOM 590 HA2 GLY A 54 -11.288 -17.200 5.843 1.00 0.00 H ATOM 591 H GLY A 54 -10.616 -15.407 7.193 1.00 0.00 H ATOM 592 N TYR A 55 -12.616 -14.581 4.931 1.00 64.97 N ATOM 593 CA TYR A 55 -13.138 -13.831 3.799 1.00 62.19 C ATOM 594 C TYR A 55 -12.046 -13.628 2.758 1.00 57.03 C ATOM 595 O TYR A 55 -10.915 -13.295 3.097 1.00 53.58 O ATOM 596 HA TYR A 55 -13.965 -14.382 3.352 1.00 0.00 H ATOM 597 H TYR A 55 -12.136 -14.076 5.703 1.00 0.00 H ATOM 598 N THR A 56 -12.388 -13.847 1.492 1.00 57.66 N ATOM 599 CA THR A 56 -11.483 -13.545 0.391 1.00 56.82 C ATOM 600 C THR A 56 -11.572 -12.048 0.080 1.00 54.70 C ATOM 601 O THR A 56 -12.659 -11.522 -0.189 1.00 54.83 O ATOM 602 CB THR A 56 -11.834 -14.359 -0.878 1.00 60.84 C ATOM 603 OG1 THR A 56 -12.068 -15.734 -0.534 1.00 66.90 O ATOM 604 CG2 THR A 56 -10.711 -14.278 -1.896 1.00 57.15 C ATOM 605 HA THR A 56 -10.471 -13.818 0.689 1.00 0.00 H ATOM 606 HB THR A 56 -12.738 -13.934 -1.315 1.00 0.00 H ATOM 607 HG1 THR A 56 -12.291 -16.244 -1.352 1.00 0.00 H ATOM 608 HG23 THR A 56 -10.533 -13.235 -2.157 1.00 0.00 H ATOM 609 HG21 THR A 56 -9.804 -14.707 -1.469 1.00 0.00 H ATOM 610 HG22 THR A 56 -10.992 -14.835 -2.790 1.00 0.00 H ATOM 611 H THR A 56 -13.326 -14.244 1.282 1.00 0.00 H ATOM 612 N MET A 57 -10.429 -11.368 0.129 1.00 51.28 N ATOM 613 CA MET A 57 -10.373 -9.936 -0.133 1.00 47.75 C ATOM 614 C MET A 57 -10.771 -9.639 -1.569 1.00 45.97 C ATOM 615 O MET A 57 -10.485 -10.420 -2.480 1.00 46.94 O ATOM 616 CB MET A 57 -8.962 -9.396 0.117 1.00 45.26 C ATOM 617 CG MET A 57 -8.503 -9.421 1.568 1.00 46.59 C ATOM 618 SD MET A 57 -6.792 -8.866 1.709 1.00 61.82 S ATOM 619 CE MET A 57 -6.563 -8.895 3.486 1.00 84.25 C ATOM 620 HA MET A 57 -11.072 -9.446 0.545 1.00 0.00 H ATOM 621 HB2 MET A 57 -8.264 -9.995 -0.468 1.00 0.00 H ATOM 622 HB3 MET A 57 -8.931 -8.363 -0.229 1.00 0.00 H ATOM 623 HG2 MET A 57 -8.581 -10.439 1.950 1.00 0.00 H ATOM 624 HG3 MET A 57 -9.142 -8.763 2.157 1.00 0.00 H ATOM 625 HE1 MET A 57 -7.279 -8.219 3.954 1.00 0.00 H ATOM 626 HE2 MET A 57 -6.723 -9.908 3.855 1.00 0.00 H ATOM 627 HE3 MET A 57 -5.549 -8.575 3.726 1.00 0.00 H ATOM 628 H MET A 57 -9.550 -11.874 0.361 1.00 0.00 H ATOM 629 N SER A 58 -11.429 -8.501 -1.764 1.00 42.74 N ATOM 630 CA SER A 58 -11.741 -8.009 -3.099 1.00 41.00 C ATOM 631 C SER A 58 -10.478 -7.478 -3.786 1.00 38.32 C ATOM 632 O SER A 58 -10.352 -7.533 -5.013 1.00 38.19 O ATOM 633 CB SER A 58 -12.803 -6.913 -3.012 1.00 40.37 C ATOM 634 OG SER A 58 -12.468 -5.984 -1.995 1.00 39.05 O ATOM 635 HA SER A 58 -12.131 -8.833 -3.696 1.00 0.00 H ATOM 636 HB2 SER A 58 -13.768 -7.364 -2.783 1.00 0.00 H ATOM 637 HB3 SER A 58 -12.864 -6.394 -3.968 1.00 0.00 H ATOM 638 HG SER A 58 -12.415 -6.454 -1.125 1.00 0.00 H ATOM 639 H SER A 58 -11.730 -7.945 -0.938 1.00 0.00 H ATOM 640 N VAL A 59 -9.553 -6.950 -2.987 1.00 36.54 N ATOM 641 CA VAL A 59 -8.270 -6.480 -3.491 1.00 34.47 C ATOM 642 C VAL A 59 -7.326 -7.659 -3.703 1.00 34.11 C ATOM 643 O VAL A 59 -7.244 -8.555 -2.870 1.00 36.72 O ATOM 644 CB VAL A 59 -7.598 -5.482 -2.511 1.00 36.46 C ATOM 645 CG1 VAL A 59 -6.230 -5.053 -3.038 1.00 33.17 C ATOM 646 CG2 VAL A 59 -8.479 -4.270 -2.298 1.00 39.93 C ATOM 647 HA VAL A 59 -8.463 -5.970 -4.435 1.00 0.00 H ATOM 648 HB VAL A 59 -7.461 -5.984 -1.553 1.00 0.00 H ATOM 649 HG11 VAL A 59 -5.592 -5.930 -3.144 1.00 0.00 H ATOM 650 HG12 VAL A 59 -6.351 -4.571 -4.008 1.00 0.00 H ATOM 651 HG13 VAL A 59 -5.775 -4.353 -2.337 1.00 0.00 H ATOM 652 HG21 VAL A 59 -8.645 -3.771 -3.253 1.00 0.00 H ATOM 653 HG22 VAL A 59 -9.435 -4.586 -1.881 1.00 0.00 H ATOM 654 HG23 VAL A 59 -7.989 -3.583 -1.608 1.00 0.00 H ATOM 655 H VAL A 59 -9.753 -6.871 -1.970 1.00 0.00 H ATOM 656 N ALA A 60 -6.621 -7.652 -4.826 1.00 34.41 N ATOM 657 CA ALA A 60 -5.591 -8.646 -5.101 1.00 31.80 C ATOM 658 C ALA A 60 -4.228 -8.038 -4.778 1.00 27.99 C ATOM 659 O ALA A 60 -4.013 -6.849 -4.988 1.00 26.35 O ATOM 660 CB ALA A 60 -5.652 -9.065 -6.546 1.00 30.81 C ATOM 661 HA ALA A 60 -5.751 -9.530 -4.484 1.00 0.00 H ATOM 662 HB1 ALA A 60 -6.631 -9.495 -6.757 1.00 0.00 H ATOM 663 HB2 ALA A 60 -5.490 -8.195 -7.182 1.00 0.00 H ATOM 664 HB3 ALA A 60 -4.878 -9.808 -6.741 1.00 0.00 H ATOM 665 H ALA A 60 -6.809 -6.913 -5.534 1.00 0.00 H ATOM 666 N MET A 61 -3.305 -8.852 -4.273 1.00 25.84 N ATOM 667 CA MET A 61 -2.024 -8.335 -3.805 1.00 23.21 C ATOM 668 C MET A 61 -0.836 -9.142 -4.273 1.00 24.52 C ATOM 669 O MET A 61 -0.954 -10.330 -4.610 1.00 23.07 O ATOM 670 CB MET A 61 -1.990 -8.323 -2.281 1.00 24.65 C ATOM 671 CG MET A 61 -2.709 -7.155 -1.656 1.00 27.30 C ATOM 672 SD MET A 61 -3.201 -7.527 0.036 1.00 42.82 S ATOM 673 CE MET A 61 -3.869 -5.943 0.572 1.00 45.51 C ATOM 674 HA MET A 61 -1.945 -7.332 -4.225 1.00 0.00 H ATOM 675 HB2 MET A 61 -2.453 -9.242 -1.921 1.00 0.00 H ATOM 676 HB3 MET A 61 -0.948 -8.294 -1.962 1.00 0.00 H ATOM 677 HG2 MET A 61 -3.598 -6.928 -2.244 1.00 0.00 H ATOM 678 HG3 MET A 61 -2.047 -6.289 -1.652 1.00 0.00 H ATOM 679 HE1 MET A 61 -3.092 -5.181 0.506 1.00 0.00 H ATOM 680 HE2 MET A 61 -4.706 -5.667 -0.070 1.00 0.00 H ATOM 681 HE3 MET A 61 -4.212 -6.025 1.603 1.00 0.00 H ATOM 682 H MET A 61 -3.500 -9.872 -4.211 1.00 0.00 H ATOM 683 N THR A 62 0.315 -8.479 -4.278 1.00 22.61 N ATOM 684 CA THR A 62 1.597 -9.166 -4.336 1.00 25.95 C ATOM 685 C THR A 62 2.622 -8.268 -3.649 1.00 25.97 C ATOM 686 O THR A 62 2.257 -7.231 -3.087 1.00 23.19 O ATOM 687 CB THR A 62 2.013 -9.555 -5.780 1.00 22.59 C ATOM 688 OG1 THR A 62 3.148 -10.430 -5.739 1.00 21.06 O ATOM 689 CG2 THR A 62 2.343 -8.332 -6.615 1.00 18.80 C ATOM 690 HA THR A 62 1.527 -10.122 -3.816 1.00 0.00 H ATOM 691 HB THR A 62 1.169 -10.064 -6.245 1.00 0.00 H ATOM 692 HG1 THR A 62 3.408 -10.674 -6.662 1.00 0.00 H ATOM 693 HG23 THR A 62 1.478 -7.669 -6.644 1.00 0.00 H ATOM 694 HG21 THR A 62 3.189 -7.808 -6.171 1.00 0.00 H ATOM 695 HG22 THR A 62 2.598 -8.643 -7.628 1.00 0.00 H ATOM 696 H THR A 62 0.300 -7.440 -4.239 1.00 0.00 H ATOM 697 N ASN A 63 3.888 -8.682 -3.649 1.00 24.77 N ATOM 698 CA ASN A 63 4.938 -7.904 -2.999 1.00 21.12 C ATOM 699 C ASN A 63 6.217 -7.943 -3.832 1.00 21.96 C ATOM 700 O ASN A 63 6.432 -8.861 -4.628 1.00 22.29 O ATOM 701 CB ASN A 63 5.244 -8.457 -1.593 1.00 20.77 C ATOM 702 CG ASN A 63 4.097 -8.300 -0.619 1.00 21.55 C ATOM 703 OD1 ASN A 63 3.958 -7.257 0.014 1.00 25.10 O ATOM 704 ND2 ASN A 63 3.310 -9.353 -0.443 1.00 21.24 N ATOM 705 HA ASN A 63 4.583 -6.877 -2.911 1.00 0.00 H ATOM 706 HB2 ASN A 63 5.478 -9.518 -1.683 1.00 0.00 H ATOM 707 HB3 ASN A 63 6.110 -7.928 -1.195 1.00 0.00 H ATOM 708 HD22 ASN A 63 3.464 -10.217 -1.002 1.00 0.00 H ATOM 709 HD21 ASN A 63 2.539 -9.315 0.254 1.00 0.00 H ATOM 710 H ASN A 63 4.133 -9.576 -4.121 1.00 0.00 H ATOM 711 N CYS A 64 7.059 -6.936 -3.647 1.00 22.48 N ATOM 712 CA CYS A 64 8.426 -6.994 -4.122 1.00 24.00 C ATOM 713 C CYS A 64 9.342 -6.421 -3.040 1.00 25.93 C ATOM 714 O CYS A 64 8.886 -5.700 -2.150 1.00 25.95 O ATOM 715 CB CYS A 64 8.590 -6.280 -5.473 1.00 20.77 C ATOM 716 SG CYS A 64 8.198 -4.514 -5.487 1.00 24.64 S ATOM 717 HA CYS A 64 8.707 -8.031 -4.307 1.00 0.00 H ATOM 718 HB2 CYS A 64 7.937 -6.773 -6.193 1.00 0.00 H ATOM 719 HB3 CYS A 64 9.627 -6.395 -5.788 1.00 0.00 H ATOM 720 HG CYS A 64 8.390 -4.012 -6.758 1.00 0.00 H ATOM 721 H CYS A 64 6.730 -6.084 -3.149 1.00 0.00 H ATOM 722 N GLY A 65 10.629 -6.754 -3.110 1.00 26.25 N ATOM 723 CA GLY A 65 11.588 -6.292 -2.126 1.00 25.33 C ATOM 724 C GLY A 65 12.035 -7.452 -1.260 1.00 29.76 C ATOM 725 O GLY A 65 11.648 -8.603 -1.504 1.00 27.90 O ATOM 726 HA3 GLY A 65 11.125 -5.530 -1.499 1.00 0.00 H ATOM 727 HA2 GLY A 65 12.453 -5.866 -2.635 1.00 0.00 H ATOM 728 H GLY A 65 10.954 -7.360 -3.890 1.00 0.00 H ATOM 729 N HIS A 66 12.830 -7.157 -0.233 1.00 36.05 N ATOM 730 CA HIS A 66 13.358 -8.199 0.641 1.00 42.08 C ATOM 731 C HIS A 66 12.249 -8.908 1.415 1.00 40.15 C ATOM 732 O HIS A 66 12.300 -10.123 1.616 1.00 40.50 O ATOM 733 CB HIS A 66 14.404 -7.626 1.607 1.00 45.20 C ATOM 734 CG HIS A 66 15.627 -7.093 0.927 1.00 49.70 C ATOM 735 ND1 HIS A 66 15.781 -5.759 0.606 1.00 53.38 N ATOM 736 CD2 HIS A 66 16.755 -7.714 0.501 1.00 54.99 C ATOM 737 CE1 HIS A 66 16.950 -5.583 0.013 1.00 53.80 C ATOM 738 NE2 HIS A 66 17.560 -6.753 -0.063 1.00 54.77 N ATOM 739 HA HIS A 66 13.841 -8.939 0.003 1.00 0.00 H ATOM 740 HB2 HIS A 66 13.943 -6.815 2.171 1.00 0.00 H ATOM 741 HB3 HIS A 66 14.709 -8.417 2.293 1.00 0.00 H ATOM 742 HD2 HIS A 66 16.981 -8.777 0.589 1.00 0.00 H ATOM 743 HE1 HIS A 66 17.344 -4.634 -0.351 1.00 0.00 H ATOM 744 H HIS A 66 13.079 -6.164 -0.050 1.00 0.00 H ATOM 745 N LEU A 67 11.252 -8.142 1.842 1.00 34.59 N ATOM 746 CA LEU A 67 10.147 -8.661 2.639 1.00 33.06 C ATOM 747 C LEU A 67 8.791 -8.374 1.990 1.00 32.72 C ATOM 748 O LEU A 67 8.601 -7.348 1.341 1.00 30.94 O ATOM 749 CB LEU A 67 10.172 -8.043 4.039 1.00 31.25 C ATOM 750 CG LEU A 67 11.381 -8.364 4.926 1.00 32.72 C ATOM 751 CD1 LEU A 67 11.313 -7.541 6.211 1.00 35.94 C ATOM 752 CD2 LEU A 67 11.413 -9.848 5.252 1.00 34.31 C ATOM 753 HA LEU A 67 10.274 -9.742 2.703 1.00 0.00 H ATOM 754 HB2 LEU A 67 10.130 -6.960 3.920 1.00 0.00 H ATOM 755 HB3 LEU A 67 9.280 -8.384 4.564 1.00 0.00 H ATOM 756 HG LEU A 67 12.294 -8.107 4.389 1.00 0.00 H ATOM 757 HD21 LEU A 67 10.500 -10.123 5.780 1.00 0.00 H ATOM 758 HD22 LEU A 67 11.486 -10.420 4.327 1.00 0.00 H ATOM 759 HD23 LEU A 67 12.276 -10.062 5.882 1.00 0.00 H ATOM 760 HD11 LEU A 67 11.319 -6.480 5.962 1.00 0.00 H ATOM 761 HD12 LEU A 67 10.396 -7.784 6.748 1.00 0.00 H ATOM 762 HD13 LEU A 67 12.175 -7.774 6.836 1.00 0.00 H ATOM 763 H LEU A 67 11.260 -7.131 1.598 1.00 0.00 H ATOM 764 N GLY A 68 7.841 -9.279 2.190 1.00 33.84 N ATOM 765 CA GLY A 68 6.517 -9.122 1.621 1.00 32.97 C ATOM 766 C GLY A 68 5.451 -9.426 2.651 1.00 35.05 C ATOM 767 O GLY A 68 5.572 -10.376 3.428 1.00 33.64 O ATOM 768 HA3 GLY A 68 6.406 -9.805 0.779 1.00 0.00 H ATOM 769 HA2 GLY A 68 6.396 -8.096 1.273 1.00 0.00 H ATOM 770 H GLY A 68 8.051 -10.118 2.767 1.00 0.00 H ATOM 771 N TRP A 69 4.408 -8.604 2.664 1.00 35.05 N ATOM 772 CA TRP A 69 3.290 -8.791 3.578 1.00 38.29 C ATOM 773 C TRP A 69 2.362 -9.857 3.018 1.00 37.92 C ATOM 774 O TRP A 69 1.950 -9.782 1.862 1.00 36.64 O ATOM 775 CB TRP A 69 2.535 -7.473 3.759 1.00 41.77 C ATOM 776 CG TRP A 69 1.621 -7.470 4.938 1.00 47.88 C ATOM 777 CD1 TRP A 69 1.978 -7.425 6.253 1.00 50.92 C ATOM 778 CD2 TRP A 69 0.191 -7.510 4.910 1.00 52.43 C ATOM 779 NE1 TRP A 69 0.858 -7.434 7.047 1.00 56.88 N ATOM 780 CE2 TRP A 69 -0.253 -7.487 6.245 1.00 56.41 C ATOM 781 CE3 TRP A 69 -0.757 -7.565 3.883 1.00 53.72 C ATOM 782 CZ2 TRP A 69 -1.601 -7.515 6.582 1.00 59.29 C ATOM 783 CZ3 TRP A 69 -2.094 -7.595 4.217 1.00 57.25 C ATOM 784 CH2 TRP A 69 -2.506 -7.566 5.556 1.00 59.97 C ATOM 785 HA TRP A 69 3.663 -9.111 4.551 1.00 0.00 H ATOM 786 HB2 TRP A 69 3.263 -6.672 3.884 1.00 0.00 H ATOM 787 HB3 TRP A 69 1.943 -7.288 2.863 1.00 0.00 H ATOM 788 HE1 TRP A 69 0.853 -7.405 8.087 1.00 0.00 H ATOM 789 HD1 TRP A 69 3.003 -7.387 6.621 1.00 0.00 H ATOM 790 HZ2 TRP A 69 -1.925 -7.497 7.623 1.00 0.00 H ATOM 791 HH2 TRP A 69 -3.571 -7.584 5.786 1.00 0.00 H ATOM 792 HZ3 TRP A 69 -2.843 -7.642 3.427 1.00 0.00 H ATOM 793 HE3 TRP A 69 -0.445 -7.584 2.839 1.00 0.00 H ATOM 794 H TRP A 69 4.389 -7.803 2.001 1.00 0.00 H ATOM 795 N THR A 70 2.049 -10.861 3.827 1.00 42.33 N ATOM 796 CA THR A 70 1.206 -11.961 3.368 1.00 49.12 C ATOM 797 C THR A 70 0.514 -12.650 4.535 1.00 56.25 C ATOM 798 O THR A 70 0.790 -12.339 5.695 1.00 54.64 O ATOM 799 CB THR A 70 2.021 -13.001 2.573 1.00 51.85 C ATOM 800 OG1 THR A 70 1.146 -14.019 2.063 1.00 54.43 O ATOM 801 CG2 THR A 70 3.086 -13.643 3.464 1.00 53.41 C ATOM 802 HA THR A 70 0.451 -11.528 2.712 1.00 0.00 H ATOM 803 HB THR A 70 2.514 -12.494 1.744 1.00 0.00 H ATOM 804 HG1 THR A 70 0.472 -13.605 1.467 1.00 0.00 H ATOM 805 HG23 THR A 70 3.749 -12.869 3.850 1.00 0.00 H ATOM 806 HG21 THR A 70 2.602 -14.156 4.295 1.00 0.00 H ATOM 807 HG22 THR A 70 3.663 -14.360 2.880 1.00 0.00 H ATOM 808 H THR A 70 2.410 -10.864 4.803 1.00 0.00 H ATOM 809 N THR A 71 -0.395 -13.571 4.219 1.00 63.72 N ATOM 810 CA THR A 71 -1.059 -14.386 5.233 1.00 71.72 C ATOM 811 C THR A 71 -0.354 -15.730 5.368 1.00 77.45 C ATOM 812 O THR A 71 0.020 -16.346 4.370 1.00 77.86 O ATOM 813 CB THR A 71 -2.552 -14.633 4.900 1.00 78.15 C ATOM 814 OG1 THR A 71 -2.665 -15.489 3.755 1.00 78.59 O ATOM 815 CG2 THR A 71 -3.262 -13.324 4.615 1.00 76.42 C ATOM 816 HA THR A 71 -1.006 -13.833 6.171 1.00 0.00 H ATOM 817 HB THR A 71 -3.018 -15.109 5.763 1.00 0.00 H ATOM 818 HG1 THR A 71 -2.226 -16.355 3.948 1.00 0.00 H ATOM 819 HG23 THR A 71 -3.178 -12.670 5.483 1.00 0.00 H ATOM 820 HG21 THR A 71 -2.803 -12.844 3.751 1.00 0.00 H ATOM 821 HG22 THR A 71 -4.314 -13.520 4.406 1.00 0.00 H ATOM 822 H THR A 71 -0.640 -13.714 3.218 1.00 0.00 H ATOM 823 N HIS A 72 -0.168 -16.179 6.606 1.00 82.93 N ATOM 824 CA HIS A 72 0.443 -17.477 6.862 1.00 87.63 C ATOM 825 C HIS A 72 -0.110 -18.081 8.149 1.00 89.18 C ATOM 826 O HIS A 72 -0.040 -17.467 9.215 1.00 89.53 O ATOM 827 CB HIS A 72 1.972 -17.359 6.930 1.00 90.10 C ATOM 828 CG HIS A 72 2.689 -18.665 6.764 1.00 95.75 C ATOM 829 ND1 HIS A 72 3.490 -19.208 7.746 1.00 99.06 N ATOM 830 CD2 HIS A 72 2.724 -19.537 5.728 1.00 97.83 C ATOM 831 CE1 HIS A 72 3.988 -20.357 7.323 1.00101.86 C ATOM 832 NE2 HIS A 72 3.539 -20.579 6.101 1.00101.07 N ATOM 833 HA HIS A 72 0.194 -18.141 6.034 1.00 0.00 H ATOM 834 HB2 HIS A 72 2.300 -16.684 6.140 1.00 0.00 H ATOM 835 HB3 HIS A 72 2.242 -16.940 7.899 1.00 0.00 H ATOM 836 HD2 HIS A 72 2.203 -19.432 4.776 1.00 0.00 H ATOM 837 HE1 HIS A 72 4.655 -21.010 7.886 1.00 0.00 H ATOM 838 H HIS A 72 -0.465 -15.590 7.410 1.00 0.00 H ATOM 839 N ARG A 73 -0.666 -19.284 8.035 1.00 90.35 N ATOM 840 CA ARG A 73 -1.249 -19.988 9.173 1.00 93.09 C ATOM 841 C ARG A 73 -2.331 -19.163 9.875 1.00 92.67 C ATOM 842 O ARG A 73 -2.303 -18.999 11.095 1.00 94.53 O ATOM 843 CB ARG A 73 -0.161 -20.398 10.169 1.00 94.47 C ATOM 844 HA ARG A 73 -1.729 -20.885 8.781 1.00 0.00 H ATOM 845 HB2 ARG A 73 0.553 -21.056 9.674 1.00 0.00 H ATOM 846 HB3 ARG A 73 0.353 -19.507 10.530 1.00 0.00 H ATOM 847 H ARG A 73 -0.686 -19.740 7.100 1.00 0.00 H ATOM 848 N GLN A 74 -3.282 -18.649 9.099 1.00 89.92 N ATOM 849 CA GLN A 74 -4.389 -17.876 9.651 1.00 89.85 C ATOM 850 C GLN A 74 -3.892 -16.639 10.397 1.00 87.16 C ATOM 851 O GLN A 74 -4.295 -16.383 11.534 1.00 88.55 O ATOM 852 HA GLN A 74 -5.042 -17.560 8.837 1.00 0.00 H ATOM 853 H GLN A 74 -3.235 -18.803 8.071 1.00 0.00 H ATOM 854 N GLY A 75 -3.017 -15.877 9.748 1.00 82.40 N ATOM 855 CA GLY A 75 -2.450 -14.680 10.344 1.00 81.00 C ATOM 856 C GLY A 75 -1.556 -13.933 9.370 1.00 77.14 C ATOM 857 O GLY A 75 -1.194 -14.466 8.320 1.00 76.44 O ATOM 858 HA3 GLY A 75 -1.861 -14.965 11.216 1.00 0.00 H ATOM 859 HA2 GLY A 75 -3.262 -14.022 10.654 1.00 0.00 H ATOM 860 H GLY A 75 -2.730 -16.146 8.785 1.00 0.00 H ATOM 861 N TYR A 76 -1.192 -12.701 9.717 1.00 75.19 N ATOM 862 CA TYR A 76 -0.372 -11.872 8.832 1.00 71.67 C ATOM 863 C TYR A 76 1.070 -11.712 9.316 1.00 66.60 C ATOM 864 O TYR A 76 1.334 -11.688 10.519 1.00 68.44 O ATOM 865 CB TYR A 76 -1.003 -10.489 8.656 1.00 74.20 C ATOM 866 CG TYR A 76 -2.411 -10.504 8.101 1.00 78.98 C ATOM 867 CD1 TYR A 76 -2.641 -10.671 6.740 1.00 78.78 C ATOM 868 CD2 TYR A 76 -3.510 -10.336 8.938 1.00 83.40 C ATOM 869 CE1 TYR A 76 -3.928 -10.674 6.226 1.00 81.72 C ATOM 870 CE2 TYR A 76 -4.800 -10.341 8.435 1.00 86.14 C ATOM 871 CZ TYR A 76 -5.005 -10.510 7.079 1.00 85.48 C ATOM 872 OH TYR A 76 -6.287 -10.516 6.572 1.00 87.77 O ATOM 873 HA TYR A 76 -0.337 -12.396 7.877 1.00 0.00 H ATOM 874 HB3 TYR A 76 -0.375 -9.913 7.976 1.00 0.00 H ATOM 875 HB2 TYR A 76 -1.026 -9.999 9.630 1.00 0.00 H ATOM 876 HD2 TYR A 76 -3.353 -10.198 10.008 1.00 0.00 H ATOM 877 HE2 TYR A 76 -5.650 -10.212 9.105 1.00 0.00 H ATOM 878 HE1 TYR A 76 -4.091 -10.805 5.156 1.00 0.00 H ATOM 879 HD1 TYR A 76 -1.795 -10.802 6.066 1.00 0.00 H ATOM 880 HH TYR A 76 -6.252 -10.647 5.591 1.00 0.00 H ATOM 881 H TYR A 76 -1.496 -12.319 10.635 1.00 0.00 H ATOM 882 N LEU A 77 1.996 -11.585 8.369 1.00 60.42 N ATOM 883 CA LEU A 77 3.407 -11.371 8.691 1.00 55.00 C ATOM 884 C LEU A 77 4.205 -10.854 7.496 1.00 46.46 C ATOM 885 O LEU A 77 3.770 -10.968 6.357 1.00 43.22 O ATOM 886 CB LEU A 77 4.038 -12.661 9.235 1.00 58.59 C ATOM 887 CG LEU A 77 3.844 -13.977 8.468 1.00 60.90 C ATOM 888 CD1 LEU A 77 4.496 -13.933 7.103 1.00 58.00 C ATOM 889 CD2 LEU A 77 4.391 -15.153 9.267 1.00 65.78 C ATOM 890 HA LEU A 77 3.444 -10.601 9.462 1.00 0.00 H ATOM 891 HB2 LEU A 77 5.112 -12.486 9.300 1.00 0.00 H ATOM 892 HB3 LEU A 77 3.635 -12.814 10.236 1.00 0.00 H ATOM 893 HG LEU A 77 2.772 -14.111 8.325 1.00 0.00 H ATOM 894 HD21 LEU A 77 5.456 -15.004 9.448 1.00 0.00 H ATOM 895 HD22 LEU A 77 3.865 -15.219 10.220 1.00 0.00 H ATOM 896 HD23 LEU A 77 4.242 -16.074 8.703 1.00 0.00 H ATOM 897 HD11 LEU A 77 4.055 -13.126 6.517 1.00 0.00 H ATOM 898 HD12 LEU A 77 5.566 -13.758 7.218 1.00 0.00 H ATOM 899 HD13 LEU A 77 4.335 -14.883 6.594 1.00 0.00 H ATOM 900 H LEU A 77 1.708 -11.639 7.371 1.00 0.00 H ATOM 901 N TYR A 78 5.372 -10.276 7.769 1.00 44.38 N ATOM 902 CA TYR A 78 6.343 -10.001 6.727 1.00 41.61 C ATOM 903 C TYR A 78 7.216 -11.235 6.543 1.00 43.49 C ATOM 904 O TYR A 78 7.724 -11.793 7.516 1.00 46.37 O ATOM 905 CB TYR A 78 7.208 -8.787 7.066 1.00 40.85 C ATOM 906 CG TYR A 78 6.523 -7.452 6.832 1.00 40.87 C ATOM 907 CD1 TYR A 78 6.005 -6.722 7.897 1.00 41.84 C ATOM 908 CD2 TYR A 78 6.395 -6.925 5.553 1.00 39.49 C ATOM 909 CE1 TYR A 78 5.377 -5.495 7.696 1.00 40.81 C ATOM 910 CE2 TYR A 78 5.757 -5.695 5.343 1.00 37.86 C ATOM 911 CZ TYR A 78 5.262 -4.992 6.422 1.00 38.18 C ATOM 912 OH TYR A 78 4.641 -3.783 6.240 1.00 39.21 O ATOM 913 HA TYR A 78 5.813 -9.769 5.803 1.00 0.00 H ATOM 914 HB3 TYR A 78 8.106 -8.824 6.450 1.00 0.00 H ATOM 915 HB2 TYR A 78 7.488 -8.849 8.118 1.00 0.00 H ATOM 916 HD2 TYR A 78 6.796 -7.475 4.702 1.00 0.00 H ATOM 917 HE2 TYR A 78 5.653 -5.296 4.334 1.00 0.00 H ATOM 918 HE1 TYR A 78 4.979 -4.937 8.544 1.00 0.00 H ATOM 919 HD1 TYR A 78 6.092 -7.118 8.909 1.00 0.00 H ATOM 920 HH TYR A 78 4.352 -3.426 7.117 1.00 0.00 H ATOM 921 H TYR A 78 5.593 -10.016 8.751 1.00 0.00 H ATOM 922 N SER A 79 7.370 -11.670 5.296 1.00 40.57 N ATOM 923 CA SER A 79 8.141 -12.875 5.003 1.00 44.00 C ATOM 924 C SER A 79 9.057 -12.655 3.809 1.00 41.67 C ATOM 925 O SER A 79 8.698 -11.949 2.875 1.00 35.54 O ATOM 926 CB SER A 79 7.209 -14.061 4.740 1.00 46.99 C ATOM 927 OG SER A 79 7.944 -15.209 4.338 1.00 50.34 O ATOM 928 HA SER A 79 8.757 -13.100 5.874 1.00 0.00 H ATOM 929 HB2 SER A 79 6.506 -13.794 3.951 1.00 0.00 H ATOM 930 HB3 SER A 79 6.659 -14.291 5.652 1.00 0.00 H ATOM 931 HG SER A 79 7.319 -15.959 4.175 1.00 0.00 H ATOM 932 H SER A 79 6.933 -11.142 4.514 1.00 0.00 H ATOM 933 N PRO A 80 10.258 -13.247 3.850 1.00 32.52 N ATOM 934 CA PRO A 80 11.186 -13.166 2.718 1.00 34.10 C ATOM 935 C PRO A 80 10.693 -14.001 1.535 1.00 36.29 C ATOM 936 O PRO A 80 11.137 -13.775 0.411 1.00 36.51 O ATOM 937 CB PRO A 80 12.478 -13.779 3.274 1.00 38.11 C ATOM 938 CG PRO A 80 12.319 -13.794 4.759 1.00 38.36 C ATOM 939 CD PRO A 80 10.860 -13.914 5.020 1.00 35.87 C ATOM 940 HA PRO A 80 11.301 -12.146 2.350 1.00 0.00 H ATOM 941 HD3 PRO A 80 10.556 -14.959 5.075 1.00 0.00 H ATOM 942 HD2 PRO A 80 10.584 -13.408 5.945 1.00 0.00 H ATOM 943 HG3 PRO A 80 12.705 -12.870 5.190 1.00 0.00 H ATOM 944 HG2 PRO A 80 12.851 -14.644 5.188 1.00 0.00 H ATOM 945 HB2 PRO A 80 12.610 -14.793 2.896 1.00 0.00 H ATOM 946 HB3 PRO A 80 13.338 -13.172 2.991 1.00 0.00 H ATOM 947 N ILE A 81 9.777 -14.938 1.789 1.00 36.23 N ATOM 948 CA ILE A 81 9.365 -15.921 0.778 1.00 34.43 C ATOM 949 C ILE A 81 7.898 -15.766 0.399 1.00 29.48 C ATOM 950 O ILE A 81 7.042 -15.543 1.253 1.00 29.41 O ATOM 951 CB ILE A 81 9.626 -17.381 1.264 1.00 33.62 C ATOM 952 CG1 ILE A 81 11.102 -17.570 1.598 1.00 37.29 C ATOM 953 CG2 ILE A 81 9.210 -18.403 0.204 1.00 31.40 C ATOM 954 CD1 ILE A 81 12.035 -17.374 0.404 1.00 37.53 C ATOM 955 HA ILE A 81 9.972 -15.727 -0.106 1.00 0.00 H ATOM 956 HB ILE A 81 9.024 -17.544 2.158 1.00 0.00 H ATOM 957 HG12 ILE A 81 11.375 -16.850 2.369 1.00 0.00 H ATOM 958 HG13 ILE A 81 11.241 -18.581 1.981 1.00 0.00 H ATOM 959 HD11 ILE A 81 11.784 -18.095 -0.374 1.00 0.00 H ATOM 960 HD12 ILE A 81 11.918 -16.363 0.015 1.00 0.00 H ATOM 961 HD13 ILE A 81 13.067 -17.525 0.722 1.00 0.00 H ATOM 962 HG21 ILE A 81 8.147 -18.292 -0.008 1.00 0.00 H ATOM 963 HG22 ILE A 81 9.783 -18.233 -0.708 1.00 0.00 H ATOM 964 HG23 ILE A 81 9.405 -19.409 0.575 1.00 0.00 H ATOM 965 H ILE A 81 9.341 -14.973 2.733 1.00 0.00 H ATOM 966 N ASP A 82 7.618 -15.852 -0.893 1.00 27.94 N ATOM 967 CA ASP A 82 6.249 -15.849 -1.384 1.00 29.55 C ATOM 968 C ASP A 82 5.654 -17.255 -1.211 1.00 33.87 C ATOM 969 O ASP A 82 6.109 -18.205 -1.847 1.00 36.11 O ATOM 970 CB ASP A 82 6.231 -15.426 -2.854 1.00 29.21 C ATOM 971 CG ASP A 82 4.844 -15.506 -3.472 1.00 30.89 C ATOM 972 OD1 ASP A 82 3.901 -15.950 -2.787 1.00 32.79 O ATOM 973 OD2 ASP A 82 4.702 -15.147 -4.655 1.00 29.82 O ATOM 974 HA ASP A 82 5.647 -15.138 -0.817 1.00 0.00 H ATOM 975 HB2 ASP A 82 6.586 -14.398 -2.925 1.00 0.00 H ATOM 976 HB3 ASP A 82 6.900 -16.080 -3.413 1.00 0.00 H ATOM 977 H ASP A 82 8.399 -15.924 -1.576 1.00 0.00 H ATOM 978 N PRO A 83 4.641 -17.389 -0.338 1.00 35.90 N ATOM 979 CA PRO A 83 4.070 -18.703 -0.008 1.00 37.80 C ATOM 980 C PRO A 83 3.429 -19.363 -1.220 1.00 37.60 C ATOM 981 O PRO A 83 3.288 -20.585 -1.247 1.00 38.01 O ATOM 982 CB PRO A 83 2.994 -18.380 1.041 1.00 39.86 C ATOM 983 CG PRO A 83 3.229 -16.953 1.451 1.00 38.68 C ATOM 984 CD PRO A 83 3.906 -16.285 0.306 1.00 36.24 C ATOM 985 HA PRO A 83 4.831 -19.399 0.344 1.00 0.00 H ATOM 986 HD3 PRO A 83 3.179 -15.847 -0.378 1.00 0.00 H ATOM 987 HD2 PRO A 83 4.589 -15.510 0.653 1.00 0.00 H ATOM 988 HG3 PRO A 83 3.863 -16.916 2.337 1.00 0.00 H ATOM 989 HG2 PRO A 83 2.280 -16.462 1.665 1.00 0.00 H ATOM 990 HB2 PRO A 83 1.999 -18.491 0.610 1.00 0.00 H ATOM 991 HB3 PRO A 83 3.092 -19.042 1.901 1.00 0.00 H ATOM 992 N GLN A 84 3.042 -18.568 -2.213 1.00 37.27 N ATOM 993 CA GLN A 84 2.459 -19.135 -3.428 1.00 39.26 C ATOM 994 C GLN A 84 3.517 -19.794 -4.327 1.00 39.17 C ATOM 995 O GLN A 84 3.270 -20.846 -4.924 1.00 40.57 O ATOM 996 CB GLN A 84 1.650 -18.079 -4.197 1.00 39.55 C ATOM 997 CG GLN A 84 1.099 -18.580 -5.530 1.00 42.33 C ATOM 998 CD GLN A 84 -0.047 -17.728 -6.070 1.00 41.74 C ATOM 999 OE1 GLN A 84 -0.852 -17.188 -5.311 1.00 39.04 O ATOM 1000 NE2 GLN A 84 -0.119 -17.608 -7.390 1.00 43.86 N ATOM 1001 HA GLN A 84 1.774 -19.924 -3.117 1.00 0.00 H ATOM 1002 HB2 GLN A 84 0.812 -17.766 -3.574 1.00 0.00 H ATOM 1003 HB3 GLN A 84 2.297 -17.223 -4.391 1.00 0.00 H ATOM 1004 HG2 GLN A 84 1.907 -18.577 -6.262 1.00 0.00 H ATOM 1005 HG3 GLN A 84 0.738 -19.599 -5.394 1.00 0.00 H ATOM 1006 HE22 GLN A 84 0.583 -18.082 -7.994 1.00 0.00 H ATOM 1007 HE21 GLN A 84 -0.877 -17.040 -7.820 1.00 0.00 H ATOM 1008 H GLN A 84 3.155 -17.538 -2.125 1.00 0.00 H ATOM 1009 N THR A 85 4.703 -19.191 -4.406 1.00 35.26 N ATOM 1010 CA THR A 85 5.751 -19.709 -5.281 1.00 33.48 C ATOM 1011 C THR A 85 6.841 -20.479 -4.527 1.00 31.73 C ATOM 1012 O THR A 85 7.563 -21.276 -5.124 1.00 31.42 O ATOM 1013 CB THR A 85 6.407 -18.574 -6.085 1.00 33.56 C ATOM 1014 OG1 THR A 85 7.125 -17.713 -5.194 1.00 30.55 O ATOM 1015 CG2 THR A 85 5.339 -17.758 -6.818 1.00 32.90 C ATOM 1016 HA THR A 85 5.254 -20.408 -5.954 1.00 0.00 H ATOM 1017 HB THR A 85 7.090 -19.008 -6.815 1.00 0.00 H ATOM 1018 HG1 THR A 85 7.547 -16.982 -5.712 1.00 0.00 H ATOM 1019 HG23 THR A 85 4.789 -18.409 -7.498 1.00 0.00 H ATOM 1020 HG21 THR A 85 4.651 -17.326 -6.091 1.00 0.00 H ATOM 1021 HG22 THR A 85 5.819 -16.960 -7.385 1.00 0.00 H ATOM 1022 H THR A 85 4.885 -18.340 -3.837 1.00 0.00 H ATOM 1023 N ASN A 86 6.942 -20.235 -3.221 1.00 30.07 N ATOM 1024 CA ASN A 86 8.041 -20.739 -2.387 1.00 29.52 C ATOM 1025 C ASN A 86 9.413 -20.198 -2.795 1.00 27.85 C ATOM 1026 O ASN A 86 10.445 -20.793 -2.489 1.00 24.20 O ATOM 1027 CB ASN A 86 8.047 -22.263 -2.306 1.00 31.72 C ATOM 1028 CG ASN A 86 6.778 -22.810 -1.682 1.00 34.37 C ATOM 1029 OD1 ASN A 86 6.053 -23.570 -2.316 1.00 39.14 O ATOM 1030 ND2 ASN A 86 6.494 -22.411 -0.444 1.00 33.31 N ATOM 1031 HA ASN A 86 7.846 -20.352 -1.387 1.00 0.00 H ATOM 1032 HB2 ASN A 86 8.146 -22.668 -3.313 1.00 0.00 H ATOM 1033 HB3 ASN A 86 8.899 -22.579 -1.704 1.00 0.00 H ATOM 1034 HD22 ASN A 86 7.139 -21.765 0.055 1.00 0.00 H ATOM 1035 HD21 ASN A 86 5.627 -22.745 0.024 1.00 0.00 H ATOM 1036 H ASN A 86 6.204 -19.658 -2.769 1.00 0.00 H ATOM 1037 N LYS A 87 9.395 -19.045 -3.468 1.00 27.49 N ATOM 1038 CA LYS A 87 10.607 -18.349 -3.886 1.00 27.85 C ATOM 1039 C LYS A 87 10.590 -16.968 -3.244 1.00 25.08 C ATOM 1040 O LYS A 87 9.531 -16.486 -2.842 1.00 28.08 O ATOM 1041 CB LYS A 87 10.639 -18.197 -5.414 1.00 30.36 C ATOM 1042 CG LYS A 87 10.829 -19.499 -6.184 1.00 36.60 C ATOM 1043 CD LYS A 87 10.325 -19.391 -7.630 1.00 39.77 C ATOM 1044 CE LYS A 87 11.198 -18.488 -8.497 1.00 41.43 C ATOM 1045 NZ LYS A 87 12.491 -19.147 -8.887 1.00 43.09 N ATOM 1046 HA LYS A 87 11.486 -18.915 -3.579 1.00 0.00 H ATOM 1047 HB2 LYS A 87 9.696 -17.751 -5.730 1.00 0.00 H ATOM 1048 HB3 LYS A 87 11.460 -17.528 -5.671 1.00 0.00 H ATOM 1049 HG2 LYS A 87 11.890 -19.748 -6.199 1.00 0.00 H ATOM 1050 HG3 LYS A 87 10.278 -20.291 -5.677 1.00 0.00 H ATOM 1051 HD2 LYS A 87 10.312 -20.388 -8.069 1.00 0.00 H ATOM 1052 HD3 LYS A 87 9.312 -18.988 -7.617 1.00 0.00 H ATOM 1053 HE2 LYS A 87 11.422 -17.578 -7.941 1.00 0.00 H ATOM 1054 HE3 LYS A 87 10.648 -18.233 -9.402 1.00 0.00 H ATOM 1055 HZ1 LYS A 87 13.028 -19.388 -8.030 1.00 0.00 H ATOM 1056 HZ2 LYS A 87 12.289 -20.013 -9.426 1.00 0.00 H ATOM 1057 HZ3 LYS A 87 13.048 -18.494 -9.475 1.00 0.00 H ATOM 1058 H LYS A 87 8.474 -18.624 -3.705 1.00 0.00 H ATOM 1059 N PRO A 88 11.757 -16.319 -3.149 1.00 23.98 N ATOM 1060 CA PRO A 88 11.762 -14.952 -2.635 1.00 26.01 C ATOM 1061 C PRO A 88 10.851 -14.085 -3.491 1.00 25.89 C ATOM 1062 O PRO A 88 10.706 -14.353 -4.681 1.00 28.08 O ATOM 1063 CB PRO A 88 13.225 -14.519 -2.819 1.00 27.86 C ATOM 1064 CG PRO A 88 14.007 -15.790 -2.777 1.00 27.03 C ATOM 1065 CD PRO A 88 13.120 -16.809 -3.448 1.00 25.56 C ATOM 1066 HA PRO A 88 11.414 -14.868 -1.605 1.00 0.00 H ATOM 1067 HD3 PRO A 88 13.299 -16.836 -4.523 1.00 0.00 H ATOM 1068 HD2 PRO A 88 13.279 -17.803 -3.029 1.00 0.00 H ATOM 1069 HG3 PRO A 88 14.215 -16.080 -1.747 1.00 0.00 H ATOM 1070 HG2 PRO A 88 14.946 -15.682 -3.319 1.00 0.00 H ATOM 1071 HB2 PRO A 88 13.359 -14.016 -3.777 1.00 0.00 H ATOM 1072 HB3 PRO A 88 13.533 -13.852 -2.014 1.00 0.00 H ATOM 1073 N TRP A 89 10.219 -13.083 -2.890 1.00 24.82 N ATOM 1074 CA TRP A 89 9.525 -12.059 -3.655 1.00 24.72 C ATOM 1075 C TRP A 89 10.520 -11.454 -4.639 1.00 28.12 C ATOM 1076 O TRP A 89 11.719 -11.436 -4.366 1.00 28.13 O ATOM 1077 CB TRP A 89 9.008 -10.967 -2.725 1.00 23.56 C ATOM 1078 CG TRP A 89 8.109 -11.462 -1.645 1.00 24.76 C ATOM 1079 CD1 TRP A 89 8.438 -11.661 -0.346 1.00 25.48 C ATOM 1080 CD2 TRP A 89 6.721 -11.821 -1.775 1.00 25.52 C ATOM 1081 NE1 TRP A 89 7.343 -12.128 0.352 1.00 27.22 N ATOM 1082 CE2 TRP A 89 6.277 -12.231 -0.505 1.00 26.28 C ATOM 1083 CE3 TRP A 89 5.812 -11.821 -2.841 1.00 27.31 C ATOM 1084 CZ2 TRP A 89 4.959 -12.640 -0.263 1.00 26.64 C ATOM 1085 CZ3 TRP A 89 4.501 -12.232 -2.601 1.00 28.48 C ATOM 1086 CH2 TRP A 89 4.090 -12.633 -1.320 1.00 27.47 C ATOM 1087 HA TRP A 89 8.677 -12.498 -4.181 1.00 0.00 H ATOM 1088 HB2 TRP A 89 9.865 -10.479 -2.260 1.00 0.00 H ATOM 1089 HB3 TRP A 89 8.457 -10.240 -3.323 1.00 0.00 H ATOM 1090 HE1 TRP A 89 7.328 -12.364 1.365 1.00 0.00 H ATOM 1091 HD1 TRP A 89 9.423 -11.479 0.084 1.00 0.00 H ATOM 1092 HZ2 TRP A 89 4.638 -12.952 0.731 1.00 0.00 H ATOM 1093 HH2 TRP A 89 3.057 -12.945 -1.164 1.00 0.00 H ATOM 1094 HZ3 TRP A 89 3.784 -12.242 -3.422 1.00 0.00 H ATOM 1095 HE3 TRP A 89 6.123 -11.506 -3.837 1.00 0.00 H ATOM 1096 H TRP A 89 10.220 -13.030 -1.851 1.00 0.00 H ATOM 1097 N PRO A 90 10.029 -10.948 -5.785 1.00 29.23 N ATOM 1098 CA PRO A 90 10.952 -10.342 -6.749 1.00 29.74 C ATOM 1099 C PRO A 90 11.646 -9.139 -6.112 1.00 27.65 C ATOM 1100 O PRO A 90 11.086 -8.497 -5.231 1.00 25.09 O ATOM 1101 CB PRO A 90 10.029 -9.893 -7.894 1.00 27.76 C ATOM 1102 CG PRO A 90 8.793 -10.738 -7.747 1.00 28.92 C ATOM 1103 CD PRO A 90 8.636 -10.921 -6.257 1.00 28.87 C ATOM 1104 HA PRO A 90 11.739 -11.018 -7.084 1.00 0.00 H ATOM 1105 HD3 PRO A 90 8.087 -10.090 -5.814 1.00 0.00 H ATOM 1106 HD2 PRO A 90 8.125 -11.856 -6.027 1.00 0.00 H ATOM 1107 HG3 PRO A 90 8.923 -11.700 -8.242 1.00 0.00 H ATOM 1108 HG2 PRO A 90 7.925 -10.229 -8.167 1.00 0.00 H ATOM 1109 HB2 PRO A 90 9.785 -8.835 -7.798 1.00 0.00 H ATOM 1110 HB3 PRO A 90 10.502 -10.069 -8.860 1.00 0.00 H ATOM 1111 N ALA A 91 12.865 -8.855 -6.540 1.00 27.99 N ATOM 1112 CA ALA A 91 13.594 -7.711 -6.022 1.00 29.10 C ATOM 1113 C ALA A 91 12.829 -6.420 -6.315 1.00 27.60 C ATOM 1114 O ALA A 91 12.066 -6.331 -7.282 1.00 23.69 O ATOM 1115 CB ALA A 91 15.012 -7.654 -6.619 1.00 29.46 C ATOM 1116 HA ALA A 91 13.688 -7.819 -4.941 1.00 0.00 H ATOM 1117 HB1 ALA A 91 15.552 -8.564 -6.358 1.00 0.00 H ATOM 1118 HB2 ALA A 91 14.945 -7.568 -7.704 1.00 0.00 H ATOM 1119 HB3 ALA A 91 15.540 -6.789 -6.217 1.00 0.00 H ATOM 1120 H ALA A 91 13.309 -9.461 -7.259 1.00 0.00 H ATOM 1121 N MET A 92 13.047 -5.413 -5.477 1.00 32.04 N ATOM 1122 CA MET A 92 12.451 -4.093 -5.691 1.00 31.65 C ATOM 1123 C MET A 92 12.934 -3.480 -7.014 1.00 30.41 C ATOM 1124 O MET A 92 14.131 -3.292 -7.202 1.00 28.90 O ATOM 1125 CB MET A 92 12.867 -3.157 -4.559 1.00 32.88 C ATOM 1126 CG MET A 92 12.142 -1.827 -4.582 1.00 36.14 C ATOM 1127 SD MET A 92 10.727 -1.950 -3.495 1.00 47.86 S ATOM 1128 CE MET A 92 11.533 -1.612 -1.938 1.00 30.31 C ATOM 1129 HA MET A 92 11.368 -4.213 -5.720 1.00 0.00 H ATOM 1130 HB2 MET A 92 12.658 -3.649 -3.609 1.00 0.00 H ATOM 1131 HB3 MET A 92 13.937 -2.969 -4.641 1.00 0.00 H ATOM 1132 HG2 MET A 92 11.811 -1.603 -5.596 1.00 0.00 H ATOM 1133 HG3 MET A 92 12.808 -1.036 -4.235 1.00 0.00 H ATOM 1134 HE1 MET A 92 12.304 -2.362 -1.759 1.00 0.00 H ATOM 1135 HE2 MET A 92 11.988 -0.622 -1.973 1.00 0.00 H ATOM 1136 HE3 MET A 92 10.797 -1.647 -1.134 1.00 0.00 H ATOM 1137 H MET A 92 13.656 -5.566 -4.648 1.00 0.00 H ATOM 1138 N PRO A 93 12.004 -3.137 -7.920 1.00 28.43 N ATOM 1139 CA PRO A 93 12.405 -2.491 -9.177 1.00 27.90 C ATOM 1140 C PRO A 93 13.128 -1.170 -8.923 1.00 29.67 C ATOM 1141 O PRO A 93 12.893 -0.527 -7.898 1.00 26.86 O ATOM 1142 CB PRO A 93 11.073 -2.225 -9.879 1.00 28.07 C ATOM 1143 CG PRO A 93 10.123 -3.242 -9.283 1.00 27.81 C ATOM 1144 CD PRO A 93 10.555 -3.396 -7.858 1.00 26.51 C ATOM 1145 HA PRO A 93 13.094 -3.107 -9.755 1.00 0.00 H ATOM 1146 HD3 PRO A 93 10.054 -2.671 -7.216 1.00 0.00 H ATOM 1147 HD2 PRO A 93 10.352 -4.403 -7.494 1.00 0.00 H ATOM 1148 HG3 PRO A 93 10.200 -4.193 -9.811 1.00 0.00 H ATOM 1149 HG2 PRO A 93 9.096 -2.882 -9.334 1.00 0.00 H ATOM 1150 HB2 PRO A 93 10.727 -1.211 -9.679 1.00 0.00 H ATOM 1151 HB3 PRO A 93 11.168 -2.370 -10.955 1.00 0.00 H ATOM 1152 N GLN A 94 13.989 -0.764 -9.853 1.00 30.06 N ATOM 1153 CA GLN A 94 14.680 0.523 -9.727 1.00 33.38 C ATOM 1154 C GLN A 94 13.702 1.688 -9.713 1.00 28.33 C ATOM 1155 O GLN A 94 13.869 2.635 -8.945 1.00 28.27 O ATOM 1156 CB GLN A 94 15.683 0.727 -10.865 1.00 37.88 C ATOM 1157 CG GLN A 94 17.083 1.103 -10.388 1.00 47.26 C ATOM 1158 CD GLN A 94 17.774 -0.071 -9.737 1.00 51.48 C ATOM 1159 OE1 GLN A 94 17.271 -1.198 -9.782 1.00 54.15 O ATOM 1160 NE2 GLN A 94 18.923 0.178 -9.124 1.00 51.20 N ATOM 1161 HA GLN A 94 15.212 0.498 -8.776 1.00 0.00 H ATOM 1162 HB2 GLN A 94 15.751 -0.200 -11.435 1.00 0.00 H ATOM 1163 HB3 GLN A 94 15.314 1.523 -11.511 1.00 0.00 H ATOM 1164 HG2 GLN A 94 17.673 1.433 -11.243 1.00 0.00 H ATOM 1165 HG3 GLN A 94 17.006 1.915 -9.665 1.00 0.00 H ATOM 1166 HE22 GLN A 94 19.308 1.144 -9.113 1.00 0.00 H ATOM 1167 HE21 GLN A 94 19.440 -0.593 -8.655 1.00 0.00 H ATOM 1168 H GLN A 94 14.174 -1.367 -10.680 1.00 0.00 H ATOM 1169 N SER A 95 12.702 1.635 -10.587 1.00 28.00 N ATOM 1170 CA SER A 95 11.730 2.717 -10.677 1.00 28.99 C ATOM 1171 C SER A 95 11.030 2.896 -9.335 1.00 27.88 C ATOM 1172 O SER A 95 10.828 4.030 -8.884 1.00 27.25 O ATOM 1173 CB SER A 95 10.708 2.453 -11.792 1.00 30.49 C ATOM 1174 OG SER A 95 9.971 1.258 -11.553 1.00 28.71 O ATOM 1175 HA SER A 95 12.259 3.637 -10.926 1.00 0.00 H ATOM 1176 HB2 SER A 95 11.235 2.360 -12.741 1.00 0.00 H ATOM 1177 HB3 SER A 95 10.015 3.293 -11.843 1.00 0.00 H ATOM 1178 HG SER A 95 10.594 0.490 -11.511 1.00 0.00 H ATOM 1179 H SER A 95 12.612 0.811 -11.215 1.00 0.00 H ATOM 1180 N PHE A 96 10.663 1.779 -8.705 1.00 28.20 N ATOM 1181 CA PHE A 96 10.026 1.798 -7.378 1.00 27.00 C ATOM 1182 C PHE A 96 10.953 2.451 -6.374 1.00 26.84 C ATOM 1183 O PHE A 96 10.567 3.370 -5.677 1.00 26.99 O ATOM 1184 CB PHE A 96 9.735 0.378 -6.873 1.00 24.20 C ATOM 1185 CG PHE A 96 8.521 -0.273 -7.494 1.00 24.59 C ATOM 1186 CD1 PHE A 96 8.131 0.019 -8.797 1.00 23.56 C ATOM 1187 CD2 PHE A 96 7.775 -1.197 -6.766 1.00 25.86 C ATOM 1188 CE1 PHE A 96 7.024 -0.601 -9.372 1.00 21.51 C ATOM 1189 CE2 PHE A 96 6.656 -1.828 -7.330 1.00 23.88 C ATOM 1190 CZ PHE A 96 6.285 -1.529 -8.643 1.00 22.76 C ATOM 1191 HA PHE A 96 9.092 2.351 -7.477 1.00 0.00 H ATOM 1192 HB2 PHE A 96 10.603 -0.245 -7.089 1.00 0.00 H ATOM 1193 HB3 PHE A 96 9.582 0.425 -5.795 1.00 0.00 H ATOM 1194 HD2 PHE A 96 8.065 -1.433 -5.742 1.00 0.00 H ATOM 1195 HE2 PHE A 96 6.080 -2.547 -6.747 1.00 0.00 H ATOM 1196 HZ PHE A 96 5.422 -2.019 -9.094 1.00 0.00 H ATOM 1197 HE1 PHE A 96 6.736 -0.359 -10.395 1.00 0.00 H ATOM 1198 HD1 PHE A 96 8.701 0.745 -9.377 1.00 0.00 H ATOM 1199 H PHE A 96 10.833 0.863 -9.167 1.00 0.00 H ATOM 1200 N HIS A 97 12.180 1.947 -6.283 1.00 28.35 N ATOM 1201 CA HIS A 97 13.144 2.510 -5.343 1.00 32.05 C ATOM 1202 C HIS A 97 13.383 4.005 -5.570 1.00 32.30 C ATOM 1203 O HIS A 97 13.394 4.783 -4.615 1.00 33.46 O ATOM 1204 CB HIS A 97 14.474 1.753 -5.378 1.00 37.18 C ATOM 1205 CG HIS A 97 15.342 2.019 -4.188 1.00 40.19 C ATOM 1206 ND1 HIS A 97 16.322 2.990 -4.182 1.00 43.19 N ATOM 1207 CD2 HIS A 97 15.362 1.455 -2.957 1.00 41.34 C ATOM 1208 CE1 HIS A 97 16.916 3.005 -3.001 1.00 44.45 C ATOM 1209 NE2 HIS A 97 16.350 2.085 -2.239 1.00 44.40 N ATOM 1210 HA HIS A 97 12.702 2.393 -4.354 1.00 0.00 H ATOM 1211 HB2 HIS A 97 14.263 0.685 -5.420 1.00 0.00 H ATOM 1212 HB3 HIS A 97 15.017 2.050 -6.275 1.00 0.00 H ATOM 1213 HD2 HIS A 97 14.716 0.652 -2.602 1.00 0.00 H ATOM 1214 HE1 HIS A 97 17.733 3.664 -2.706 1.00 0.00 H ATOM 1215 H HIS A 97 12.455 1.146 -6.886 1.00 0.00 H ATOM 1216 N ASN A 98 13.574 4.412 -6.824 1.00 31.09 N ATOM 1217 CA ASN A 98 13.846 5.820 -7.110 1.00 33.56 C ATOM 1218 C ASN A 98 12.680 6.710 -6.701 1.00 33.13 C ATOM 1219 O ASN A 98 12.857 7.674 -5.968 1.00 34.68 O ATOM 1220 CB ASN A 98 14.150 6.046 -8.589 1.00 38.83 C ATOM 1221 CG ASN A 98 15.439 5.390 -9.028 1.00 46.19 C ATOM 1222 OD1 ASN A 98 16.285 5.020 -8.203 1.00 48.23 O ATOM 1223 ND2 ASN A 98 15.604 5.246 -10.342 1.00 48.66 N ATOM 1224 HA ASN A 98 14.723 6.089 -6.522 1.00 0.00 H ATOM 1225 HB2 ASN A 98 13.331 5.636 -9.180 1.00 0.00 H ATOM 1226 HB3 ASN A 98 14.225 7.118 -8.770 1.00 0.00 H ATOM 1227 HD22 ASN A 98 14.866 5.572 -10.998 1.00 0.00 H ATOM 1228 HD21 ASN A 98 16.471 4.807 -10.712 1.00 0.00 H ATOM 1229 H ASN A 98 13.529 3.725 -7.603 1.00 0.00 H ATOM 1230 N LEU A 99 11.482 6.385 -7.176 1.00 33.05 N ATOM 1231 CA LEU A 99 10.324 7.210 -6.858 1.00 29.92 C ATOM 1232 C LEU A 99 10.055 7.282 -5.357 1.00 28.73 C ATOM 1233 O LEU A 99 9.707 8.336 -4.856 1.00 28.61 O ATOM 1234 CB LEU A 99 9.065 6.725 -7.574 1.00 28.40 C ATOM 1235 CG LEU A 99 7.865 7.527 -7.039 1.00 31.30 C ATOM 1236 CD1 LEU A 99 7.681 8.829 -7.838 1.00 32.15 C ATOM 1237 CD2 LEU A 99 6.604 6.707 -6.993 1.00 29.09 C ATOM 1238 HA LEU A 99 10.570 8.211 -7.212 1.00 0.00 H ATOM 1239 HB2 LEU A 99 9.166 6.885 -8.647 1.00 0.00 H ATOM 1240 HB3 LEU A 99 8.916 5.663 -7.379 1.00 0.00 H ATOM 1241 HG LEU A 99 8.085 7.798 -6.006 1.00 0.00 H ATOM 1242 HD21 LEU A 99 6.359 6.362 -7.998 1.00 0.00 H ATOM 1243 HD22 LEU A 99 6.755 5.848 -6.340 1.00 0.00 H ATOM 1244 HD23 LEU A 99 5.788 7.319 -6.609 1.00 0.00 H ATOM 1245 HD11 LEU A 99 8.580 9.438 -7.749 1.00 0.00 H ATOM 1246 HD12 LEU A 99 7.505 8.589 -8.887 1.00 0.00 H ATOM 1247 HD13 LEU A 99 6.827 9.379 -7.442 1.00 0.00 H ATOM 1248 H LEU A 99 11.371 5.542 -7.775 1.00 0.00 H ATOM 1249 N CYS A 100 10.192 6.159 -4.652 1.00 29.65 N ATOM 1250 CA CYS A 100 9.953 6.128 -3.205 1.00 31.37 C ATOM 1251 C CYS A 100 10.909 7.072 -2.487 1.00 33.41 C ATOM 1252 O CYS A 100 10.518 7.811 -1.577 1.00 36.00 O ATOM 1253 CB CYS A 100 10.102 4.702 -2.646 1.00 31.58 C ATOM 1254 SG CYS A 100 9.836 4.560 -0.827 1.00 30.19 S ATOM 1255 HA CYS A 100 8.929 6.458 -3.030 1.00 0.00 H ATOM 1256 HB2 CYS A 100 11.109 4.352 -2.871 1.00 0.00 H ATOM 1257 HB3 CYS A 100 9.376 4.062 -3.147 1.00 0.00 H ATOM 1258 HG CYS A 100 9.994 3.244 -0.442 1.00 0.00 H ATOM 1259 H CYS A 100 10.475 5.285 -5.139 1.00 0.00 H ATOM 1260 N GLN A 101 12.164 7.064 -2.912 1.00 34.54 N ATOM 1261 CA GLN A 101 13.170 7.897 -2.269 1.00 38.29 C ATOM 1262 C GLN A 101 12.980 9.379 -2.566 1.00 35.35 C ATOM 1263 O GLN A 101 13.184 10.209 -1.693 1.00 34.40 O ATOM 1264 CB GLN A 101 14.579 7.435 -2.643 1.00 44.88 C ATOM 1265 CG GLN A 101 14.930 6.087 -2.022 1.00 50.45 C ATOM 1266 CD GLN A 101 14.747 6.089 -0.508 1.00 54.76 C ATOM 1267 OE1 GLN A 101 13.623 5.978 0.001 1.00 54.03 O ATOM 1268 NE2 GLN A 101 15.854 6.227 0.219 1.00 57.28 N ATOM 1269 HA GLN A 101 13.041 7.777 -1.193 1.00 0.00 H ATOM 1270 HB2 GLN A 101 14.644 7.349 -3.728 1.00 0.00 H ATOM 1271 HB3 GLN A 101 15.296 8.179 -2.295 1.00 0.00 H ATOM 1272 HG2 GLN A 101 14.285 5.322 -2.454 1.00 0.00 H ATOM 1273 HG3 GLN A 101 15.970 5.854 -2.251 1.00 0.00 H ATOM 1274 HE22 GLN A 101 16.777 6.317 -0.251 1.00 0.00 H ATOM 1275 HE21 GLN A 101 15.795 6.245 1.257 1.00 0.00 H ATOM 1276 H GLN A 101 12.433 6.457 -3.712 1.00 0.00 H ATOM 1277 N ARG A 102 12.601 9.712 -3.798 1.00 35.55 N ATOM 1278 CA ARG A 102 12.317 11.103 -4.132 1.00 39.59 C ATOM 1279 C ARG A 102 11.131 11.617 -3.308 1.00 37.64 C ATOM 1280 O ARG A 102 11.159 12.742 -2.819 1.00 37.45 O ATOM 1281 CB ARG A 102 12.039 11.275 -5.630 1.00 43.47 C ATOM 1282 CG ARG A 102 13.238 11.031 -6.540 1.00 49.21 C ATOM 1283 CD ARG A 102 12.909 11.379 -7.988 1.00 53.33 C ATOM 1284 NE ARG A 102 11.492 11.176 -8.298 1.00 54.96 N ATOM 1285 CZ ARG A 102 10.623 12.160 -8.521 1.00 58.83 C ATOM 1286 NH1 ARG A 102 11.019 13.427 -8.477 1.00 61.29 N ATOM 1287 NH2 ARG A 102 9.354 11.878 -8.794 1.00 59.48 N ATOM 1288 HA ARG A 102 13.201 11.692 -3.887 1.00 0.00 H ATOM 1289 HB2 ARG A 102 11.253 10.574 -5.911 1.00 0.00 H ATOM 1290 HB3 ARG A 102 11.691 12.295 -5.795 1.00 0.00 H ATOM 1291 HG2 ARG A 102 14.071 11.650 -6.205 1.00 0.00 H ATOM 1292 HG3 ARG A 102 13.521 9.980 -6.482 1.00 0.00 H ATOM 1293 HD2 ARG A 102 13.506 10.747 -8.645 1.00 0.00 H ATOM 1294 HD3 ARG A 102 13.161 12.425 -8.164 1.00 0.00 H ATOM 1295 HE ARG A 102 11.141 10.198 -8.347 1.00 0.00 H ATOM 1296 HH12 ARG A 102 10.336 14.192 -8.652 1.00 0.00 H ATOM 1297 HH11 ARG A 102 12.012 13.654 -8.268 1.00 0.00 H ATOM 1298 HH22 ARG A 102 8.676 12.647 -8.968 1.00 0.00 H ATOM 1299 HH21 ARG A 102 9.038 10.888 -8.834 1.00 0.00 H ATOM 1300 H ARG A 102 12.507 8.976 -4.527 1.00 0.00 H ATOM 1301 N ALA A 103 10.100 10.786 -3.149 1.00 33.24 N ATOM 1302 CA ALA A 103 8.928 11.155 -2.353 1.00 31.36 C ATOM 1303 C ALA A 103 9.261 11.274 -0.873 1.00 31.96 C ATOM 1304 O ALA A 103 8.961 12.290 -0.237 1.00 33.20 O ATOM 1305 CB ALA A 103 7.780 10.143 -2.559 1.00 30.02 C ATOM 1306 HA ALA A 103 8.602 12.135 -2.702 1.00 0.00 H ATOM 1307 HB1 ALA A 103 7.498 10.125 -3.612 1.00 0.00 H ATOM 1308 HB2 ALA A 103 8.113 9.151 -2.254 1.00 0.00 H ATOM 1309 HB3 ALA A 103 6.922 10.441 -1.956 1.00 0.00 H ATOM 1310 H ALA A 103 10.129 9.851 -3.603 1.00 0.00 H ATOM 1311 N ALA A 104 9.872 10.229 -0.324 1.00 32.18 N ATOM 1312 CA ALA A 104 10.211 10.198 1.094 1.00 35.56 C ATOM 1313 C ALA A 104 11.098 11.374 1.494 1.00 39.24 C ATOM 1314 O ALA A 104 10.932 11.935 2.577 1.00 41.23 O ATOM 1315 CB ALA A 104 10.891 8.877 1.451 1.00 37.31 C ATOM 1316 HA ALA A 104 9.279 10.283 1.653 1.00 0.00 H ATOM 1317 HB1 ALA A 104 10.216 8.051 1.229 1.00 0.00 H ATOM 1318 HB2 ALA A 104 11.804 8.770 0.865 1.00 0.00 H ATOM 1319 HB3 ALA A 104 11.137 8.872 2.513 1.00 0.00 H ATOM 1320 H ALA A 104 10.114 9.413 -0.921 1.00 0.00 H ATOM 1321 N THR A 105 12.048 11.735 0.633 1.00 40.75 N ATOM 1322 CA THR A 105 12.943 12.856 0.929 1.00 45.33 C ATOM 1323 C THR A 105 12.209 14.194 0.879 1.00 46.45 C ATOM 1324 O THR A 105 12.373 15.033 1.763 1.00 48.82 O ATOM 1325 CB THR A 105 14.157 12.897 -0.017 1.00 46.63 C ATOM 1326 OG1 THR A 105 14.939 11.709 0.164 1.00 46.85 O ATOM 1327 CG2 THR A 105 15.029 14.106 0.291 1.00 48.58 C ATOM 1328 HA THR A 105 13.305 12.692 1.944 1.00 0.00 H ATOM 1329 HB THR A 105 13.798 12.963 -1.044 1.00 0.00 H ATOM 1330 HG1 THR A 105 14.384 10.915 -0.042 1.00 0.00 H ATOM 1331 HG23 THR A 105 14.445 15.017 0.157 1.00 0.00 H ATOM 1332 HG21 THR A 105 15.380 14.046 1.321 1.00 0.00 H ATOM 1333 HG22 THR A 105 15.884 14.118 -0.385 1.00 0.00 H ATOM 1334 H THR A 105 12.156 11.214 -0.261 1.00 0.00 H ATOM 1335 N ALA A 106 11.400 14.390 -0.157 1.00 44.99 N ATOM 1336 CA ALA A 106 10.606 15.605 -0.275 1.00 45.43 C ATOM 1337 C ALA A 106 9.770 15.842 0.983 1.00 47.01 C ATOM 1338 O ALA A 106 9.637 16.980 1.440 1.00 49.08 O ATOM 1339 CB ALA A 106 9.714 15.547 -1.507 1.00 43.16 C ATOM 1340 HA ALA A 106 11.293 16.444 -0.385 1.00 0.00 H ATOM 1341 HB1 ALA A 106 10.333 15.442 -2.398 1.00 0.00 H ATOM 1342 HB2 ALA A 106 9.042 14.692 -1.428 1.00 0.00 H ATOM 1343 HB3 ALA A 106 9.130 16.465 -1.575 1.00 0.00 H ATOM 1344 H ALA A 106 11.333 13.662 -0.897 1.00 0.00 H ATOM 1345 N ALA A 107 9.217 14.770 1.551 1.00 43.09 N ATOM 1346 CA ALA A 107 8.356 14.896 2.727 1.00 41.53 C ATOM 1347 C ALA A 107 9.150 14.910 4.036 1.00 44.94 C ATOM 1348 O ALA A 107 8.569 14.872 5.124 1.00 44.55 O ATOM 1349 CB ALA A 107 7.297 13.798 2.744 1.00 36.28 C ATOM 1350 HA ALA A 107 7.856 15.861 2.652 1.00 0.00 H ATOM 1351 HB1 ALA A 107 6.682 13.875 1.848 1.00 0.00 H ATOM 1352 HB2 ALA A 107 7.786 12.824 2.769 1.00 0.00 H ATOM 1353 HB3 ALA A 107 6.670 13.914 3.628 1.00 0.00 H ATOM 1354 H ALA A 107 9.401 13.828 1.151 1.00 0.00 H ATOM 1355 N GLY A 108 10.476 14.957 3.923 1.00 46.59 N ATOM 1356 CA GLY A 108 11.347 15.091 5.079 1.00 48.99 C ATOM 1357 C GLY A 108 11.731 13.804 5.792 1.00 49.25 C ATOM 1358 O GLY A 108 11.935 13.804 7.006 1.00 51.15 O ATOM 1359 HA3 GLY A 108 10.842 15.732 5.802 1.00 0.00 H ATOM 1360 HA2 GLY A 108 12.267 15.573 4.747 1.00 0.00 H ATOM 1361 H GLY A 108 10.902 14.896 2.976 1.00 0.00 H ATOM 1362 N TYR A 109 11.830 12.706 5.048 1.00 47.29 N ATOM 1363 CA TYR A 109 12.207 11.420 5.631 1.00 47.64 C ATOM 1364 C TYR A 109 13.420 10.819 4.927 1.00 47.81 C ATOM 1365 O TYR A 109 13.316 9.781 4.270 1.00 40.94 O ATOM 1366 CB TYR A 109 11.033 10.443 5.582 1.00 45.80 C ATOM 1367 CG TYR A 109 9.937 10.767 6.567 1.00 46.59 C ATOM 1368 CD1 TYR A 109 8.793 11.445 6.167 1.00 45.27 C ATOM 1369 CD2 TYR A 109 10.052 10.403 7.903 1.00 50.54 C ATOM 1370 CE1 TYR A 109 7.786 11.747 7.071 1.00 46.83 C ATOM 1371 CE2 TYR A 109 9.055 10.703 8.815 1.00 52.01 C ATOM 1372 CZ TYR A 109 7.922 11.371 8.392 1.00 50.46 C ATOM 1373 OH TYR A 109 6.930 11.666 9.298 1.00 53.01 O ATOM 1374 HA TYR A 109 12.477 11.599 6.672 1.00 0.00 H ATOM 1375 HB3 TYR A 109 11.407 9.443 5.799 1.00 0.00 H ATOM 1376 HB2 TYR A 109 10.611 10.461 4.577 1.00 0.00 H ATOM 1377 HD2 TYR A 109 10.943 9.872 8.239 1.00 0.00 H ATOM 1378 HE2 TYR A 109 9.163 10.414 9.860 1.00 0.00 H ATOM 1379 HE1 TYR A 109 6.893 12.278 6.741 1.00 0.00 H ATOM 1380 HD1 TYR A 109 8.685 11.745 5.125 1.00 0.00 H ATOM 1381 HH TYR A 109 6.194 12.142 8.837 1.00 0.00 H ATOM 1382 H TYR A 109 11.635 12.764 4.028 1.00 0.00 H ATOM 1383 N PRO A 110 14.588 11.462 5.094 1.00 53.82 N ATOM 1384 CA PRO A 110 15.811 11.144 4.348 1.00 54.30 C ATOM 1385 C PRO A 110 16.345 9.765 4.669 1.00 54.67 C ATOM 1386 O PRO A 110 16.949 9.140 3.803 1.00 54.71 O ATOM 1387 CB PRO A 110 16.806 12.204 4.839 1.00 58.21 C ATOM 1388 CG PRO A 110 15.971 13.269 5.470 1.00 60.10 C ATOM 1389 CD PRO A 110 14.805 12.554 6.055 1.00 57.54 C ATOM 1390 HA PRO A 110 15.637 11.148 3.272 1.00 0.00 H ATOM 1391 HD3 PRO A 110 15.037 12.166 7.047 1.00 0.00 H ATOM 1392 HD2 PRO A 110 13.933 13.205 6.116 1.00 0.00 H ATOM 1393 HG3 PRO A 110 15.642 13.990 4.722 1.00 0.00 H ATOM 1394 HG2 PRO A 110 16.533 13.785 6.248 1.00 0.00 H ATOM 1395 HB2 PRO A 110 17.492 11.774 5.569 1.00 0.00 H ATOM 1396 HB3 PRO A 110 17.375 12.610 4.003 1.00 0.00 H ATOM 1397 N ASP A 111 16.128 9.306 5.898 1.00 55.82 N ATOM 1398 CA ASP A 111 16.656 8.019 6.338 1.00 55.78 C ATOM 1399 C ASP A 111 15.744 6.859 5.997 1.00 49.29 C ATOM 1400 O ASP A 111 16.067 5.705 6.302 1.00 48.87 O ATOM 1401 CB ASP A 111 16.942 8.023 7.845 1.00 61.42 C ATOM 1402 CG ASP A 111 18.228 8.742 8.187 1.00 67.65 C ATOM 1403 OD1 ASP A 111 18.575 9.685 7.445 1.00 70.78 O ATOM 1404 OD2 ASP A 111 18.891 8.365 9.185 1.00 69.16 O ATOM 1405 HA ASP A 111 17.588 7.877 5.792 1.00 0.00 H ATOM 1406 HB2 ASP A 111 16.117 8.519 8.357 1.00 0.00 H ATOM 1407 HB3 ASP A 111 17.015 6.992 8.190 1.00 0.00 H ATOM 1408 H ASP A 111 15.568 9.878 6.562 1.00 0.00 H ATOM 1409 N PHE A 112 14.605 7.152 5.373 1.00 43.47 N ATOM 1410 CA PHE A 112 13.710 6.084 4.980 1.00 39.73 C ATOM 1411 C PHE A 112 14.495 5.117 4.105 1.00 39.79 C ATOM 1412 O PHE A 112 15.172 5.524 3.161 1.00 39.58 O ATOM 1413 CB PHE A 112 12.481 6.605 4.232 1.00 34.03 C ATOM 1414 CG PHE A 112 11.405 5.585 4.085 1.00 32.06 C ATOM 1415 CD1 PHE A 112 11.065 4.772 5.151 1.00 33.54 C ATOM 1416 CD2 PHE A 112 10.722 5.436 2.890 1.00 30.05 C ATOM 1417 CE1 PHE A 112 10.070 3.826 5.029 1.00 31.77 C ATOM 1418 CE2 PHE A 112 9.733 4.492 2.763 1.00 29.64 C ATOM 1419 CZ PHE A 112 9.403 3.684 3.832 1.00 30.43 C ATOM 1420 HA PHE A 112 13.337 5.584 5.874 1.00 0.00 H ATOM 1421 HB2 PHE A 112 12.078 7.457 4.779 1.00 0.00 H ATOM 1422 HB3 PHE A 112 12.791 6.927 3.238 1.00 0.00 H ATOM 1423 HD2 PHE A 112 10.972 6.074 2.042 1.00 0.00 H ATOM 1424 HE2 PHE A 112 9.207 4.380 1.815 1.00 0.00 H ATOM 1425 HZ PHE A 112 8.617 2.936 3.730 1.00 0.00 H ATOM 1426 HE1 PHE A 112 9.812 3.192 5.877 1.00 0.00 H ATOM 1427 HD1 PHE A 112 11.591 4.881 6.100 1.00 0.00 H ATOM 1428 H PHE A 112 14.360 8.142 5.169 1.00 0.00 H ATOM 1429 N GLN A 113 14.436 3.842 4.455 1.00 41.14 N ATOM 1430 CA GLN A 113 15.117 2.813 3.684 1.00 43.51 C ATOM 1431 C GLN A 113 14.165 1.637 3.548 1.00 41.06 C ATOM 1432 O GLN A 113 14.205 0.697 4.344 1.00 42.83 O ATOM 1433 CB GLN A 113 16.436 2.411 4.366 1.00 49.84 C ATOM 1434 CG GLN A 113 17.409 3.583 4.577 1.00 54.73 C ATOM 1435 CD GLN A 113 18.751 3.173 5.189 1.00 60.82 C ATOM 1436 OE1 GLN A 113 19.119 3.633 6.275 1.00 63.64 O ATOM 1437 NE2 GLN A 113 19.498 2.327 4.480 1.00 61.22 N ATOM 1438 HA GLN A 113 15.383 3.181 2.693 1.00 0.00 H ATOM 1439 HB2 GLN A 113 16.202 1.979 5.339 1.00 0.00 H ATOM 1440 HB3 GLN A 113 16.929 1.662 3.746 1.00 0.00 H ATOM 1441 HG2 GLN A 113 17.600 4.049 3.610 1.00 0.00 H ATOM 1442 HG3 GLN A 113 16.936 4.307 5.240 1.00 0.00 H ATOM 1443 HE22 GLN A 113 19.150 1.963 3.570 1.00 0.00 H ATOM 1444 HE21 GLN A 113 20.429 2.031 4.837 1.00 0.00 H ATOM 1445 H GLN A 113 13.892 3.570 5.298 1.00 0.00 H ATOM 1446 N PRO A 114 13.273 1.692 2.545 1.00 37.35 N ATOM 1447 CA PRO A 114 12.258 0.644 2.466 1.00 33.13 C ATOM 1448 C PRO A 114 12.863 -0.677 2.001 1.00 31.07 C ATOM 1449 O PRO A 114 13.837 -0.672 1.255 1.00 32.09 O ATOM 1450 CB PRO A 114 11.279 1.186 1.412 1.00 31.53 C ATOM 1451 CG PRO A 114 12.120 2.027 0.530 1.00 31.82 C ATOM 1452 CD PRO A 114 13.217 2.609 1.391 1.00 36.73 C ATOM 1453 HA PRO A 114 11.791 0.434 3.428 1.00 0.00 H ATOM 1454 HD3 PRO A 114 14.167 2.621 0.857 1.00 0.00 H ATOM 1455 HD2 PRO A 114 12.967 3.621 1.709 1.00 0.00 H ATOM 1456 HG3 PRO A 114 11.522 2.827 0.093 1.00 0.00 H ATOM 1457 HG2 PRO A 114 12.551 1.421 -0.267 1.00 0.00 H ATOM 1458 HB2 PRO A 114 10.825 0.370 0.850 1.00 0.00 H ATOM 1459 HB3 PRO A 114 10.496 1.781 1.882 1.00 0.00 H ATOM 1460 N ASP A 115 12.267 -1.781 2.436 1.00 30.92 N ATOM 1461 CA ASP A 115 12.721 -3.125 2.099 1.00 33.73 C ATOM 1462 C ASP A 115 11.504 -3.984 1.801 1.00 31.60 C ATOM 1463 O ASP A 115 11.591 -5.210 1.696 1.00 32.13 O ATOM 1464 CB ASP A 115 13.510 -3.726 3.268 1.00 37.76 C ATOM 1465 CG ASP A 115 12.721 -3.719 4.571 1.00 38.61 C ATOM 1466 OD1 ASP A 115 11.511 -3.390 4.554 1.00 33.06 O ATOM 1467 OD2 ASP A 115 13.314 -4.049 5.615 1.00 41.90 O ATOM 1468 HA ASP A 115 13.374 -3.086 1.227 1.00 0.00 H ATOM 1469 HB2 ASP A 115 13.769 -4.756 3.022 1.00 0.00 H ATOM 1470 HB3 ASP A 115 14.422 -3.146 3.409 1.00 0.00 H ATOM 1471 H ASP A 115 11.433 -1.682 3.049 1.00 0.00 H ATOM 1472 N ALA A 116 10.353 -3.327 1.691 1.00 28.42 N ATOM 1473 CA ALA A 116 9.108 -4.019 1.403 1.00 27.73 C ATOM 1474 C ALA A 116 8.202 -3.111 0.598 1.00 27.57 C ATOM 1475 O ALA A 116 8.033 -1.932 0.931 1.00 27.72 O ATOM 1476 CB ALA A 116 8.415 -4.433 2.691 1.00 26.59 C ATOM 1477 HA ALA A 116 9.329 -4.918 0.828 1.00 0.00 H ATOM 1478 HB1 ALA A 116 9.068 -5.099 3.255 1.00 0.00 H ATOM 1479 HB2 ALA A 116 8.197 -3.546 3.286 1.00 0.00 H ATOM 1480 HB3 ALA A 116 7.485 -4.949 2.452 1.00 0.00 H ATOM 1481 H ALA A 116 10.344 -2.294 1.814 1.00 0.00 H ATOM 1482 N CYS A 117 7.628 -3.655 -0.467 1.00 25.60 N ATOM 1483 CA CYS A 117 6.622 -2.924 -1.216 1.00 21.74 C ATOM 1484 C CYS A 117 5.411 -3.805 -1.473 1.00 20.32 C ATOM 1485 O CYS A 117 5.488 -4.755 -2.243 1.00 22.76 O ATOM 1486 CB CYS A 117 7.166 -2.395 -2.547 1.00 20.74 C ATOM 1487 SG CYS A 117 5.888 -1.418 -3.460 1.00 24.47 S ATOM 1488 HA CYS A 117 6.330 -2.066 -0.610 1.00 0.00 H ATOM 1489 HB2 CYS A 117 7.475 -3.239 -3.164 1.00 0.00 H ATOM 1490 HB3 CYS A 117 8.027 -1.756 -2.350 1.00 0.00 H ATOM 1491 HG CYS A 117 6.421 -0.963 -4.649 1.00 0.00 H ATOM 1492 H CYS A 117 7.901 -4.612 -0.768 1.00 0.00 H ATOM 1493 N LEU A 118 4.295 -3.482 -0.827 1.00 19.93 N ATOM 1494 CA LEU A 118 3.043 -4.190 -1.048 1.00 20.88 C ATOM 1495 C LEU A 118 2.324 -3.575 -2.249 1.00 19.38 C ATOM 1496 O LEU A 118 2.158 -2.358 -2.333 1.00 21.08 O ATOM 1497 CB LEU A 118 2.155 -4.136 0.203 1.00 21.37 C ATOM 1498 CG LEU A 118 0.825 -4.912 0.134 1.00 26.49 C ATOM 1499 CD1 LEU A 118 1.074 -6.396 -0.125 1.00 27.68 C ATOM 1500 CD2 LEU A 118 -0.017 -4.737 1.406 1.00 27.99 C ATOM 1501 HA LEU A 118 3.257 -5.239 -1.254 1.00 0.00 H ATOM 1502 HB2 LEU A 118 2.731 -4.538 1.036 1.00 0.00 H ATOM 1503 HB3 LEU A 118 1.919 -3.090 0.398 1.00 0.00 H ATOM 1504 HG LEU A 118 0.260 -4.493 -0.698 1.00 0.00 H ATOM 1505 HD21 LEU A 118 0.545 -5.103 2.265 1.00 0.00 H ATOM 1506 HD22 LEU A 118 -0.248 -3.681 1.545 1.00 0.00 H ATOM 1507 HD23 LEU A 118 -0.943 -5.303 1.308 1.00 0.00 H ATOM 1508 HD11 LEU A 118 1.600 -6.515 -1.072 1.00 0.00 H ATOM 1509 HD12 LEU A 118 1.680 -6.808 0.682 1.00 0.00 H ATOM 1510 HD13 LEU A 118 0.120 -6.921 -0.169 1.00 0.00 H ATOM 1511 H LEU A 118 4.317 -2.699 -0.143 1.00 0.00 H ATOM 1512 N ILE A 119 1.912 -4.419 -3.178 1.00 17.60 N ATOM 1513 CA ILE A 119 1.249 -3.968 -4.399 1.00 18.34 C ATOM 1514 C ILE A 119 -0.199 -4.442 -4.390 1.00 20.59 C ATOM 1515 O ILE A 119 -0.446 -5.645 -4.386 1.00 23.09 O ATOM 1516 CB ILE A 119 1.941 -4.539 -5.661 1.00 18.99 C ATOM 1517 CG1 ILE A 119 3.449 -4.239 -5.649 1.00 19.17 C ATOM 1518 CG2 ILE A 119 1.267 -3.980 -6.929 1.00 20.40 C ATOM 1519 CD1 ILE A 119 4.154 -4.674 -6.946 1.00 21.55 C ATOM 1520 HA ILE A 119 1.304 -2.880 -4.428 1.00 0.00 H ATOM 1521 HB ILE A 119 1.828 -5.623 -5.661 1.00 0.00 H ATOM 1522 HG12 ILE A 119 3.590 -3.166 -5.519 1.00 0.00 H ATOM 1523 HG13 ILE A 119 3.903 -4.768 -4.811 1.00 0.00 H ATOM 1524 HD11 ILE A 119 4.029 -5.748 -7.084 1.00 0.00 H ATOM 1525 HD12 ILE A 119 3.715 -4.144 -7.792 1.00 0.00 H ATOM 1526 HD13 ILE A 119 5.216 -4.437 -6.878 1.00 0.00 H ATOM 1527 HG21 ILE A 119 0.215 -4.265 -6.936 1.00 0.00 H ATOM 1528 HG22 ILE A 119 1.350 -2.893 -6.934 1.00 0.00 H ATOM 1529 HG23 ILE A 119 1.761 -4.388 -7.811 1.00 0.00 H ATOM 1530 H ILE A 119 2.065 -5.438 -3.035 1.00 0.00 H ATOM 1531 N ASN A 120 -1.137 -3.493 -4.345 1.00 17.74 N ATOM 1532 CA ASN A 120 -2.573 -3.769 -4.342 1.00 20.87 C ATOM 1533 C ASN A 120 -3.140 -3.544 -5.737 1.00 21.17 C ATOM 1534 O ASN A 120 -2.778 -2.576 -6.393 1.00 22.70 O ATOM 1535 CB ASN A 120 -3.311 -2.810 -3.390 1.00 23.88 C ATOM 1536 CG ASN A 120 -3.114 -3.154 -1.925 1.00 27.39 C ATOM 1537 OD1 ASN A 120 -2.460 -4.126 -1.597 1.00 30.29 O ATOM 1538 ND2 ASN A 120 -3.675 -2.334 -1.034 1.00 28.64 N ATOM 1539 HA ASN A 120 -2.713 -4.801 -4.019 1.00 0.00 H ATOM 1540 HB2 ASN A 120 -2.942 -1.799 -3.562 1.00 0.00 H ATOM 1541 HB3 ASN A 120 -4.377 -2.850 -3.615 1.00 0.00 H ATOM 1542 HD22 ASN A 120 -4.227 -1.514 -1.357 1.00 0.00 H ATOM 1543 HD21 ASN A 120 -3.561 -2.515 -0.016 1.00 0.00 H ATOM 1544 H ASN A 120 -0.829 -2.500 -4.310 1.00 0.00 H ATOM 1545 N ARG A 121 -4.046 -4.409 -6.181 1.00 19.38 N ATOM 1546 CA ARG A 121 -4.745 -4.184 -7.447 1.00 20.72 C ATOM 1547 C ARG A 121 -6.254 -4.210 -7.201 1.00 25.32 C ATOM 1548 O ARG A 121 -6.769 -5.153 -6.608 1.00 28.64 O ATOM 1549 CB ARG A 121 -4.357 -5.238 -8.498 1.00 21.50 C ATOM 1550 CG ARG A 121 -5.099 -5.070 -9.831 1.00 23.93 C ATOM 1551 CD ARG A 121 -4.818 -6.253 -10.794 1.00 32.20 C ATOM 1552 NE ARG A 121 -5.416 -7.506 -10.334 1.00 32.35 N ATOM 1553 CZ ARG A 121 -5.076 -8.713 -10.793 1.00 35.07 C ATOM 1554 NH1 ARG A 121 -4.134 -8.838 -11.726 1.00 31.96 N ATOM 1555 NH2 ARG A 121 -5.681 -9.797 -10.321 1.00 35.85 N ATOM 1556 HA ARG A 121 -4.452 -3.209 -7.837 1.00 0.00 H ATOM 1557 HB2 ARG A 121 -3.286 -5.161 -8.686 1.00 0.00 H ATOM 1558 HB3 ARG A 121 -4.584 -6.226 -8.098 1.00 0.00 H ATOM 1559 HG2 ARG A 121 -6.170 -5.019 -9.636 1.00 0.00 H ATOM 1560 HG3 ARG A 121 -4.773 -4.144 -10.304 1.00 0.00 H ATOM 1561 HD2 ARG A 121 -3.740 -6.389 -10.875 1.00 0.00 H ATOM 1562 HD3 ARG A 121 -5.227 -6.010 -11.775 1.00 0.00 H ATOM 1563 HE ARG A 121 -6.153 -7.454 -9.602 1.00 0.00 H ATOM 1564 HH12 ARG A 121 -3.874 -9.781 -12.079 1.00 0.00 H ATOM 1565 HH11 ARG A 121 -3.658 -7.993 -12.101 1.00 0.00 H ATOM 1566 HH22 ARG A 121 -5.417 -10.737 -10.678 1.00 0.00 H ATOM 1567 HH21 ARG A 121 -6.419 -9.706 -9.594 1.00 0.00 H ATOM 1568 H ARG A 121 -4.261 -5.258 -5.621 1.00 0.00 H ATOM 1569 N TYR A 122 -6.949 -3.160 -7.641 1.00 25.31 N ATOM 1570 CA TYR A 122 -8.382 -3.015 -7.421 1.00 25.58 C ATOM 1571 C TYR A 122 -9.130 -3.093 -8.732 1.00 25.95 C ATOM 1572 O TYR A 122 -8.922 -2.254 -9.603 1.00 27.34 O ATOM 1573 CB TYR A 122 -8.706 -1.637 -6.804 1.00 26.51 C ATOM 1574 CG TYR A 122 -8.128 -1.422 -5.433 1.00 27.40 C ATOM 1575 CD1 TYR A 122 -6.777 -1.126 -5.268 1.00 25.51 C ATOM 1576 CD2 TYR A 122 -8.933 -1.488 -4.304 1.00 27.33 C ATOM 1577 CE1 TYR A 122 -6.244 -0.920 -4.015 1.00 26.76 C ATOM 1578 CE2 TYR A 122 -8.408 -1.282 -3.045 1.00 29.15 C ATOM 1579 CZ TYR A 122 -7.063 -1.004 -2.906 1.00 28.45 C ATOM 1580 OH TYR A 122 -6.535 -0.810 -1.654 1.00 27.93 O ATOM 1581 HA TYR A 122 -8.684 -3.819 -6.750 1.00 0.00 H ATOM 1582 HB3 TYR A 122 -9.790 -1.539 -6.737 1.00 0.00 H ATOM 1583 HB2 TYR A 122 -8.312 -0.865 -7.466 1.00 0.00 H ATOM 1584 HD2 TYR A 122 -9.995 -1.706 -4.414 1.00 0.00 H ATOM 1585 HE2 TYR A 122 -9.051 -1.338 -2.166 1.00 0.00 H ATOM 1586 HE1 TYR A 122 -5.184 -0.692 -3.899 1.00 0.00 H ATOM 1587 HD1 TYR A 122 -6.132 -1.056 -6.144 1.00 0.00 H ATOM 1588 HH TYR A 122 -5.566 -0.622 -1.731 1.00 0.00 H ATOM 1589 H TYR A 122 -6.447 -2.414 -8.163 1.00 0.00 H ATOM 1590 N ALA A 123 -10.019 -4.076 -8.864 1.00 32.24 N ATOM 1591 CA ALA A 123 -11.001 -4.064 -9.937 1.00 33.30 C ATOM 1592 C ALA A 123 -12.210 -3.274 -9.450 1.00 32.95 C ATOM 1593 O ALA A 123 -12.365 -3.073 -8.243 1.00 29.58 O ATOM 1594 CB ALA A 123 -11.404 -5.486 -10.305 1.00 38.03 C ATOM 1595 HA ALA A 123 -10.582 -3.600 -10.830 1.00 0.00 H ATOM 1596 HB1 ALA A 123 -10.524 -6.038 -10.635 1.00 0.00 H ATOM 1597 HB2 ALA A 123 -11.836 -5.977 -9.433 1.00 0.00 H ATOM 1598 HB3 ALA A 123 -12.139 -5.457 -11.109 1.00 0.00 H ATOM 1599 H ALA A 123 -10.011 -4.866 -8.188 1.00 0.00 H ATOM 1600 N PRO A 124 -13.080 -2.828 -10.382 1.00 36.45 N ATOM 1601 CA PRO A 124 -14.267 -2.069 -9.977 1.00 38.20 C ATOM 1602 C PRO A 124 -15.009 -2.828 -8.890 1.00 39.79 C ATOM 1603 O PRO A 124 -15.147 -4.042 -9.003 1.00 40.60 O ATOM 1604 CB PRO A 124 -15.111 -2.035 -11.261 1.00 42.22 C ATOM 1605 CG PRO A 124 -14.107 -2.130 -12.365 1.00 41.65 C ATOM 1606 CD PRO A 124 -13.017 -3.026 -11.842 1.00 38.59 C ATOM 1607 HA PRO A 124 -14.040 -1.078 -9.583 1.00 0.00 H ATOM 1608 HD3 PRO A 124 -13.209 -4.067 -12.103 1.00 0.00 H ATOM 1609 HD2 PRO A 124 -12.045 -2.728 -12.234 1.00 0.00 H ATOM 1610 HG3 PRO A 124 -13.708 -1.144 -12.603 1.00 0.00 H ATOM 1611 HG2 PRO A 124 -14.561 -2.562 -13.257 1.00 0.00 H ATOM 1612 HB2 PRO A 124 -15.801 -2.878 -11.292 1.00 0.00 H ATOM 1613 HB3 PRO A 124 -15.674 -1.104 -11.329 1.00 0.00 H ATOM 1614 N GLY A 125 -15.471 -2.134 -7.855 1.00 39.85 N ATOM 1615 CA GLY A 125 -16.164 -2.787 -6.758 1.00 39.47 C ATOM 1616 C GLY A 125 -15.250 -3.157 -5.602 1.00 35.70 C ATOM 1617 O GLY A 125 -15.683 -3.217 -4.450 1.00 35.01 O ATOM 1618 HA3 GLY A 125 -16.629 -3.697 -7.136 1.00 0.00 H ATOM 1619 HA2 GLY A 125 -16.936 -2.113 -6.387 1.00 0.00 H ATOM 1620 H GLY A 125 -15.334 -1.103 -7.830 1.00 0.00 H ATOM 1621 N ALA A 126 -13.980 -3.403 -5.906 1.00 34.84 N ATOM 1622 CA ALA A 126 -13.002 -3.774 -4.886 1.00 34.84 C ATOM 1623 C ALA A 126 -12.752 -2.641 -3.888 1.00 34.21 C ATOM 1624 O ALA A 126 -12.767 -1.460 -4.246 1.00 33.90 O ATOM 1625 CB ALA A 126 -11.675 -4.221 -5.540 1.00 32.77 C ATOM 1626 HA ALA A 126 -13.421 -4.612 -4.328 1.00 0.00 H ATOM 1627 HB1 ALA A 126 -11.860 -5.082 -6.182 1.00 0.00 H ATOM 1628 HB2 ALA A 126 -11.271 -3.402 -6.136 1.00 0.00 H ATOM 1629 HB3 ALA A 126 -10.961 -4.493 -4.762 1.00 0.00 H ATOM 1630 H ALA A 126 -13.674 -3.329 -6.897 1.00 0.00 H ATOM 1631 N LYS A 127 -12.513 -3.016 -2.636 1.00 33.93 N ATOM 1632 CA LYS A 127 -12.393 -2.050 -1.551 1.00 34.13 C ATOM 1633 C LYS A 127 -11.376 -2.586 -0.561 1.00 35.82 C ATOM 1634 O LYS A 127 -11.069 -3.770 -0.571 1.00 39.73 O ATOM 1635 CB LYS A 127 -13.747 -1.884 -0.845 1.00 34.86 C ATOM 1636 CG LYS A 127 -14.161 -3.128 -0.055 1.00 37.94 C ATOM 1637 CD LYS A 127 -15.578 -3.040 0.485 1.00 40.67 C ATOM 1638 HA LYS A 127 -12.080 -1.082 -1.943 1.00 0.00 H ATOM 1639 HB2 LYS A 127 -13.680 -1.041 -0.158 1.00 0.00 H ATOM 1640 HB3 LYS A 127 -14.509 -1.679 -1.597 1.00 0.00 H ATOM 1641 HG2 LYS A 127 -14.091 -3.996 -0.711 1.00 0.00 H ATOM 1642 HG3 LYS A 127 -13.476 -3.252 0.784 1.00 0.00 H ATOM 1643 HD2 LYS A 127 -15.659 -2.181 1.151 1.00 0.00 H ATOM 1644 HD3 LYS A 127 -16.275 -2.925 -0.345 1.00 0.00 H ATOM 1645 H LYS A 127 -12.408 -4.029 -2.424 1.00 0.00 H ATOM 1646 N LEU A 128 -10.843 -1.724 0.292 1.00 33.65 N ATOM 1647 CA LEU A 128 -9.948 -2.181 1.343 1.00 32.88 C ATOM 1648 C LEU A 128 -10.533 -1.765 2.690 1.00 35.69 C ATOM 1649 O LEU A 128 -10.730 -0.568 2.956 1.00 31.25 O ATOM 1650 CB LEU A 128 -8.540 -1.600 1.145 1.00 31.41 C ATOM 1651 CG LEU A 128 -7.459 -2.058 2.120 1.00 33.52 C ATOM 1652 CD1 LEU A 128 -7.115 -3.536 1.893 1.00 34.42 C ATOM 1653 CD2 LEU A 128 -6.208 -1.195 1.982 1.00 32.73 C ATOM 1654 HA LEU A 128 -9.856 -3.267 1.308 1.00 0.00 H ATOM 1655 HB2 LEU A 128 -8.212 -1.867 0.140 1.00 0.00 H ATOM 1656 HB3 LEU A 128 -8.617 -0.516 1.224 1.00 0.00 H ATOM 1657 HG LEU A 128 -7.846 -1.945 3.133 1.00 0.00 H ATOM 1658 HD21 LEU A 128 -5.823 -1.275 0.965 1.00 0.00 H ATOM 1659 HD22 LEU A 128 -6.459 -0.156 2.196 1.00 0.00 H ATOM 1660 HD23 LEU A 128 -5.451 -1.540 2.686 1.00 0.00 H ATOM 1661 HD11 LEU A 128 -8.008 -4.143 2.045 1.00 0.00 H ATOM 1662 HD12 LEU A 128 -6.752 -3.671 0.874 1.00 0.00 H ATOM 1663 HD13 LEU A 128 -6.342 -3.840 2.599 1.00 0.00 H ATOM 1664 H LEU A 128 -11.067 -0.712 0.209 1.00 0.00 H ATOM 1665 N SER A 129 -10.829 -2.757 3.529 1.00 39.02 N ATOM 1666 CA SER A 129 -11.481 -2.516 4.813 1.00 42.13 C ATOM 1667 C SER A 129 -10.602 -1.678 5.733 1.00 39.58 C ATOM 1668 O SER A 129 -9.380 -1.643 5.577 1.00 37.66 O ATOM 1669 CB SER A 129 -11.848 -3.840 5.500 1.00 48.56 C ATOM 1670 OG SER A 129 -12.696 -4.631 4.680 1.00 52.39 O ATOM 1671 HA SER A 129 -12.397 -1.959 4.613 1.00 0.00 H ATOM 1672 HB2 SER A 129 -12.361 -3.624 6.437 1.00 0.00 H ATOM 1673 HB3 SER A 129 -10.935 -4.397 5.708 1.00 0.00 H ATOM 1674 HG SER A 129 -12.233 -4.835 3.829 1.00 0.00 H ATOM 1675 H SER A 129 -10.588 -3.733 3.261 1.00 0.00 H ATOM 1676 N LEU A 130 -11.246 -1.011 6.688 1.00 39.92 N ATOM 1677 CA LEU A 130 -10.586 -0.124 7.638 1.00 39.60 C ATOM 1678 C LEU A 130 -9.572 -0.893 8.460 1.00 39.27 C ATOM 1679 O LEU A 130 -9.881 -1.948 9.010 1.00 40.44 O ATOM 1680 CB LEU A 130 -11.624 0.502 8.569 1.00 42.72 C ATOM 1681 CG LEU A 130 -11.360 1.914 9.093 1.00 43.19 C ATOM 1682 CD1 LEU A 130 -11.080 2.874 7.950 1.00 39.44 C ATOM 1683 CD2 LEU A 130 -12.544 2.396 9.924 1.00 43.03 C ATOM 1684 HA LEU A 130 -10.072 0.661 7.083 1.00 0.00 H ATOM 1685 HB2 LEU A 130 -12.570 0.528 8.029 1.00 0.00 H ATOM 1686 HB3 LEU A 130 -11.720 -0.153 9.435 1.00 0.00 H ATOM 1687 HG LEU A 130 -10.476 1.885 9.729 1.00 0.00 H ATOM 1688 HD21 LEU A 130 -13.441 2.406 9.305 1.00 0.00 H ATOM 1689 HD22 LEU A 130 -12.692 1.723 10.768 1.00 0.00 H ATOM 1690 HD23 LEU A 130 -12.343 3.402 10.291 1.00 0.00 H ATOM 1691 HD11 LEU A 130 -10.203 2.535 7.399 1.00 0.00 H ATOM 1692 HD12 LEU A 130 -11.941 2.903 7.282 1.00 0.00 H ATOM 1693 HD13 LEU A 130 -10.896 3.871 8.351 1.00 0.00 H ATOM 1694 H LEU A 130 -12.277 -1.129 6.760 1.00 0.00 H ATOM 1695 N HIS A 131 -8.363 -0.355 8.556 1.00 37.84 N ATOM 1696 CA HIS A 131 -7.277 -1.067 9.207 1.00 39.82 C ATOM 1697 C HIS A 131 -6.157 -0.112 9.592 1.00 40.01 C ATOM 1698 O HIS A 131 -6.109 1.031 9.128 1.00 39.37 O ATOM 1699 CB HIS A 131 -6.716 -2.115 8.249 1.00 37.90 C ATOM 1700 CG HIS A 131 -5.944 -1.523 7.115 1.00 35.68 C ATOM 1701 ND1 HIS A 131 -6.544 -1.076 5.956 1.00 34.70 N ATOM 1702 CD2 HIS A 131 -4.622 -1.268 6.978 1.00 33.12 C ATOM 1703 CE1 HIS A 131 -5.622 -0.581 5.150 1.00 31.51 C ATOM 1704 NE2 HIS A 131 -4.448 -0.682 5.750 1.00 31.82 N ATOM 1705 HA HIS A 131 -7.667 -1.540 10.108 1.00 0.00 H ATOM 1706 HB2 HIS A 131 -6.056 -2.778 8.808 1.00 0.00 H ATOM 1707 HB3 HIS A 131 -7.546 -2.691 7.840 1.00 0.00 H ATOM 1708 HD2 HIS A 131 -3.842 -1.487 7.707 1.00 0.00 H ATOM 1709 HE1 HIS A 131 -5.799 -0.161 4.160 1.00 0.00 H ATOM 1710 H HIS A 131 -8.190 0.591 8.159 1.00 0.00 H ATOM 1711 N GLN A 132 -5.264 -0.588 10.454 1.00 40.64 N ATOM 1712 CA GLN A 132 -4.033 0.119 10.774 1.00 39.12 C ATOM 1713 C GLN A 132 -2.867 -0.684 10.216 1.00 38.87 C ATOM 1714 O GLN A 132 -2.922 -1.914 10.172 1.00 38.39 O ATOM 1715 CB GLN A 132 -3.836 0.215 12.285 1.00 40.62 C ATOM 1716 CG GLN A 132 -4.982 0.783 13.083 1.00 39.07 C ATOM 1717 CD GLN A 132 -4.694 0.692 14.570 1.00 44.46 C ATOM 1718 OE1 GLN A 132 -4.837 -0.371 15.176 1.00 48.10 O ATOM 1719 NE2 GLN A 132 -4.241 1.796 15.156 1.00 44.61 N ATOM 1720 HA GLN A 132 -4.085 1.121 10.349 1.00 0.00 H ATOM 1721 HB2 GLN A 132 -3.640 -0.791 12.657 1.00 0.00 H ATOM 1722 HB3 GLN A 132 -2.964 0.844 12.465 1.00 0.00 H ATOM 1723 HG2 GLN A 132 -5.126 1.828 12.809 1.00 0.00 H ATOM 1724 HG3 GLN A 132 -5.889 0.221 12.858 1.00 0.00 H ATOM 1725 HE22 GLN A 132 -4.136 2.672 14.605 1.00 0.00 H ATOM 1726 HE21 GLN A 132 -3.991 1.784 16.166 1.00 0.00 H ATOM 1727 H GLN A 132 -5.452 -1.500 10.917 1.00 0.00 H ATOM 1728 N ASP A 133 -1.811 0.004 9.797 1.00 37.52 N ATOM 1729 CA ASP A 133 -0.543 -0.672 9.548 1.00 40.27 C ATOM 1730 C ASP A 133 0.342 -0.539 10.787 1.00 41.86 C ATOM 1731 O ASP A 133 1.038 0.459 10.967 1.00 38.53 O ATOM 1732 CB ASP A 133 0.144 -0.108 8.307 1.00 40.08 C ATOM 1733 CG ASP A 133 -0.619 -0.416 7.044 1.00 41.10 C ATOM 1734 OD1 ASP A 133 -1.538 0.349 6.715 1.00 38.26 O ATOM 1735 OD2 ASP A 133 -0.316 -1.433 6.385 1.00 45.18 O ATOM 1736 HA ASP A 133 -0.726 -1.729 9.355 1.00 0.00 H ATOM 1737 HB2 ASP A 133 0.227 0.974 8.412 1.00 0.00 H ATOM 1738 HB3 ASP A 133 1.141 -0.542 8.230 1.00 0.00 H ATOM 1739 H ASP A 133 -1.889 1.030 9.646 1.00 0.00 H ATOM 1740 N LYS A 134 0.288 -1.544 11.655 1.00 49.01 N ATOM 1741 CA LYS A 134 1.009 -1.493 12.922 1.00 53.87 C ATOM 1742 C LYS A 134 1.998 -2.650 13.054 1.00 57.75 C ATOM 1743 O LYS A 134 2.510 -2.926 14.141 1.00 60.79 O ATOM 1744 CB LYS A 134 0.026 -1.482 14.103 1.00 54.53 C ATOM 1745 CG LYS A 134 -1.006 -2.606 14.080 1.00 53.94 C ATOM 1746 CD LYS A 134 -1.757 -2.706 15.404 1.00 56.29 C ATOM 1747 HA LYS A 134 1.583 -0.567 12.938 1.00 0.00 H ATOM 1748 HB2 LYS A 134 0.601 -1.566 15.025 1.00 0.00 H ATOM 1749 HB3 LYS A 134 -0.506 -0.531 14.094 1.00 0.00 H ATOM 1750 HG2 LYS A 134 -1.722 -2.413 13.281 1.00 0.00 H ATOM 1751 HG3 LYS A 134 -0.496 -3.551 13.890 1.00 0.00 H ATOM 1752 HD2 LYS A 134 -1.048 -2.905 16.208 1.00 0.00 H ATOM 1753 HD3 LYS A 134 -2.275 -1.767 15.598 1.00 0.00 H ATOM 1754 H LYS A 134 -0.280 -2.384 11.426 1.00 0.00 H ATOM 1755 N ASP A 135 2.277 -3.316 11.938 1.00 55.60 N ATOM 1756 CA ASP A 135 3.103 -4.517 11.972 1.00 57.62 C ATOM 1757 C ASP A 135 4.587 -4.261 11.685 1.00 58.93 C ATOM 1758 O ASP A 135 5.379 -5.203 11.634 1.00 62.26 O ATOM 1759 CB ASP A 135 2.544 -5.579 11.018 1.00 55.71 C ATOM 1760 HA ASP A 135 3.058 -4.884 12.997 1.00 0.00 H ATOM 1761 HB2 ASP A 135 1.529 -5.838 11.319 1.00 0.00 H ATOM 1762 HB3 ASP A 135 2.534 -5.184 10.002 1.00 0.00 H ATOM 1763 H ASP A 135 1.902 -2.976 11.030 1.00 0.00 H ATOM 1764 N GLU A 136 4.969 -2.998 11.507 1.00 55.79 N ATOM 1765 CA GLU A 136 6.377 -2.662 11.278 1.00 54.44 C ATOM 1766 C GLU A 136 7.145 -2.440 12.591 1.00 57.60 C ATOM 1767 O GLU A 136 6.589 -1.924 13.562 1.00 58.38 O ATOM 1768 CB GLU A 136 6.509 -1.440 10.363 1.00 50.71 C ATOM 1769 CG GLU A 136 5.953 -1.648 8.952 1.00 47.25 C ATOM 1770 CD GLU A 136 4.433 -1.623 8.904 1.00 44.95 C ATOM 1771 OE1 GLU A 136 3.854 -2.322 8.046 1.00 42.31 O ATOM 1772 OE2 GLU A 136 3.815 -0.897 9.717 1.00 45.12 O ATOM 1773 HA GLU A 136 6.829 -3.520 10.780 1.00 0.00 H ATOM 1774 HB2 GLU A 136 5.973 -0.609 10.823 1.00 0.00 H ATOM 1775 HB3 GLU A 136 7.566 -1.188 10.280 1.00 0.00 H ATOM 1776 HG2 GLU A 136 6.335 -0.856 8.307 1.00 0.00 H ATOM 1777 HG3 GLU A 136 6.297 -2.614 8.581 1.00 0.00 H ATOM 1778 H GLU A 136 4.258 -2.239 11.531 1.00 0.00 H ATOM 1779 N PRO A 137 8.433 -2.829 12.618 1.00 59.12 N ATOM 1780 CA PRO A 137 9.279 -2.710 13.816 1.00 62.18 C ATOM 1781 C PRO A 137 9.384 -1.276 14.335 1.00 62.58 C ATOM 1782 O PRO A 137 9.151 -1.045 15.520 1.00 65.22 O ATOM 1783 CB PRO A 137 10.645 -3.193 13.326 1.00 62.07 C ATOM 1784 CG PRO A 137 10.336 -4.076 12.172 1.00 59.49 C ATOM 1785 CD PRO A 137 9.158 -3.453 11.500 1.00 56.53 C ATOM 1786 HA PRO A 137 8.872 -3.279 14.652 1.00 0.00 H ATOM 1787 HD3 PRO A 137 9.472 -2.706 10.770 1.00 0.00 H ATOM 1788 HD2 PRO A 137 8.544 -4.206 11.006 1.00 0.00 H ATOM 1789 HG3 PRO A 137 10.092 -5.081 12.515 1.00 0.00 H ATOM 1790 HG2 PRO A 137 11.184 -4.123 11.489 1.00 0.00 H ATOM 1791 HB2 PRO A 137 11.262 -2.351 13.013 1.00 0.00 H ATOM 1792 HB3 PRO A 137 11.161 -3.748 14.109 1.00 0.00 H ATOM 1793 N ASP A 138 9.737 -0.334 13.462 1.00 59.49 N ATOM 1794 CA ASP A 138 9.835 1.071 13.846 1.00 59.41 C ATOM 1795 C ASP A 138 8.644 1.856 13.300 1.00 55.78 C ATOM 1796 O ASP A 138 8.528 2.059 12.090 1.00 52.23 O ATOM 1797 CB ASP A 138 11.146 1.683 13.335 1.00 59.89 C ATOM 1798 CG ASP A 138 11.474 3.018 14.002 1.00 63.71 C ATOM 1799 OD1 ASP A 138 10.623 3.546 14.755 1.00 64.49 O ATOM 1800 OD2 ASP A 138 12.588 3.543 13.768 1.00 64.82 O ATOM 1801 HA ASP A 138 9.826 1.128 14.934 1.00 0.00 H ATOM 1802 HB2 ASP A 138 11.958 0.984 13.535 1.00 0.00 H ATOM 1803 HB3 ASP A 138 11.061 1.842 12.260 1.00 0.00 H ATOM 1804 H ASP A 138 9.948 -0.607 12.481 1.00 0.00 H ATOM 1805 N LEU A 139 7.759 2.294 14.189 1.00 56.43 N ATOM 1806 CA LEU A 139 6.605 3.078 13.763 1.00 56.16 C ATOM 1807 C LEU A 139 6.969 4.535 13.497 1.00 55.16 C ATOM 1808 O LEU A 139 6.130 5.317 13.062 1.00 54.15 O ATOM 1809 CB LEU A 139 5.462 2.987 14.775 1.00 59.30 C ATOM 1810 CG LEU A 139 4.248 2.201 14.273 1.00 59.95 C ATOM 1811 CD1 LEU A 139 4.575 0.716 14.172 1.00 61.14 C ATOM 1812 CD2 LEU A 139 3.033 2.432 15.163 1.00 61.22 C ATOM 1813 HA LEU A 139 6.264 2.645 12.822 1.00 0.00 H ATOM 1814 HB2 LEU A 139 5.838 2.500 15.675 1.00 0.00 H ATOM 1815 HB3 LEU A 139 5.139 3.999 15.019 1.00 0.00 H ATOM 1816 HG LEU A 139 4.000 2.566 13.276 1.00 0.00 H ATOM 1817 HD21 LEU A 139 3.261 2.108 16.178 1.00 0.00 H ATOM 1818 HD22 LEU A 139 2.783 3.493 15.166 1.00 0.00 H ATOM 1819 HD23 LEU A 139 2.189 1.860 14.779 1.00 0.00 H ATOM 1820 HD11 LEU A 139 5.401 0.574 13.475 1.00 0.00 H ATOM 1821 HD12 LEU A 139 4.858 0.340 15.155 1.00 0.00 H ATOM 1822 HD13 LEU A 139 3.699 0.176 13.813 1.00 0.00 H ATOM 1823 H LEU A 139 7.890 2.076 15.197 1.00 0.00 H ATOM 1824 N ARG A 140 8.220 4.897 13.761 1.00 54.81 N ATOM 1825 CA ARG A 140 8.698 6.241 13.458 1.00 54.10 C ATOM 1826 C ARG A 140 8.906 6.399 11.955 1.00 50.03 C ATOM 1827 O ARG A 140 8.881 7.514 11.427 1.00 49.68 O ATOM 1828 CB ARG A 140 10.001 6.540 14.204 1.00 57.82 C ATOM 1829 HA ARG A 140 7.943 6.954 13.790 1.00 0.00 H ATOM 1830 HB2 ARG A 140 9.829 6.463 15.278 1.00 0.00 H ATOM 1831 HB3 ARG A 140 10.763 5.821 13.904 1.00 0.00 H ATOM 1832 H ARG A 140 8.870 4.209 14.192 1.00 0.00 H ATOM 1833 N ALA A 141 9.127 5.276 11.276 1.00 45.35 N ATOM 1834 CA ALA A 141 9.299 5.275 9.827 1.00 39.63 C ATOM 1835 C ALA A 141 7.940 5.404 9.151 1.00 33.89 C ATOM 1836 O ALA A 141 6.974 4.775 9.577 1.00 30.91 O ATOM 1837 CB ALA A 141 9.991 4.007 9.370 1.00 35.94 C ATOM 1838 HA ALA A 141 9.924 6.123 9.547 1.00 0.00 H ATOM 1839 HB1 ALA A 141 10.971 3.939 9.842 1.00 0.00 H ATOM 1840 HB2 ALA A 141 9.389 3.144 9.654 1.00 0.00 H ATOM 1841 HB3 ALA A 141 10.108 4.029 8.287 1.00 0.00 H ATOM 1842 H ALA A 141 9.179 4.375 11.792 1.00 0.00 H ATOM 1843 N PRO A 142 7.866 6.225 8.095 1.00 33.79 N ATOM 1844 CA PRO A 142 6.596 6.447 7.406 1.00 33.14 C ATOM 1845 C PRO A 142 6.249 5.290 6.493 1.00 31.64 C ATOM 1846 O PRO A 142 7.022 4.343 6.347 1.00 30.88 O ATOM 1847 CB PRO A 142 6.891 7.669 6.537 1.00 32.92 C ATOM 1848 CG PRO A 142 8.324 7.519 6.194 1.00 33.00 C ATOM 1849 CD PRO A 142 8.956 7.011 7.490 1.00 35.13 C ATOM 1850 HA PRO A 142 5.767 6.563 8.104 1.00 0.00 H ATOM 1851 HD3 PRO A 142 9.825 6.386 7.285 1.00 0.00 H ATOM 1852 HD2 PRO A 142 9.249 7.839 8.136 1.00 0.00 H ATOM 1853 HG3 PRO A 142 8.756 8.476 5.900 1.00 0.00 H ATOM 1854 HG2 PRO A 142 8.457 6.798 5.387 1.00 0.00 H ATOM 1855 HB2 PRO A 142 6.274 7.666 5.639 1.00 0.00 H ATOM 1856 HB3 PRO A 142 6.718 8.591 7.091 1.00 0.00 H ATOM 1857 N ILE A 143 5.078 5.373 5.873 1.00 28.52 N ATOM 1858 CA ILE A 143 4.780 4.504 4.744 1.00 26.38 C ATOM 1859 C ILE A 143 4.601 5.420 3.549 1.00 25.76 C ATOM 1860 O ILE A 143 3.964 6.475 3.655 1.00 26.53 O ATOM 1861 CB ILE A 143 3.537 3.632 5.009 1.00 27.38 C ATOM 1862 CG1 ILE A 143 3.879 2.557 6.045 1.00 32.69 C ATOM 1863 CG2 ILE A 143 3.025 2.965 3.723 1.00 21.12 C ATOM 1864 CD1 ILE A 143 2.706 1.672 6.405 1.00 34.74 C ATOM 1865 HA ILE A 143 5.586 3.792 4.565 1.00 0.00 H ATOM 1866 HB ILE A 143 2.746 4.280 5.387 1.00 0.00 H ATOM 1867 HG12 ILE A 143 4.674 1.930 5.642 1.00 0.00 H ATOM 1868 HG13 ILE A 143 4.231 3.050 6.951 1.00 0.00 H ATOM 1869 HD11 ILE A 143 1.905 2.284 6.820 1.00 0.00 H ATOM 1870 HD12 ILE A 143 2.349 1.162 5.510 1.00 0.00 H ATOM 1871 HD13 ILE A 143 3.022 0.935 7.143 1.00 0.00 H ATOM 1872 HG21 ILE A 143 2.757 3.734 2.998 1.00 0.00 H ATOM 1873 HG22 ILE A 143 3.808 2.330 3.308 1.00 0.00 H ATOM 1874 HG23 ILE A 143 2.148 2.360 3.953 1.00 0.00 H ATOM 1875 H ILE A 143 4.370 6.063 6.196 1.00 0.00 H ATOM 1876 N VAL A 144 5.198 5.042 2.424 1.00 23.33 N ATOM 1877 CA VAL A 144 5.046 5.804 1.189 1.00 20.89 C ATOM 1878 C VAL A 144 4.055 5.087 0.282 1.00 21.46 C ATOM 1879 O VAL A 144 4.220 3.901 -0.051 1.00 21.05 O ATOM 1880 CB VAL A 144 6.396 6.000 0.457 1.00 22.55 C ATOM 1881 CG1 VAL A 144 6.206 6.736 -0.862 1.00 19.84 C ATOM 1882 CG2 VAL A 144 7.391 6.735 1.357 1.00 25.98 C ATOM 1883 HA VAL A 144 4.673 6.796 1.443 1.00 0.00 H ATOM 1884 HB VAL A 144 6.803 5.015 0.228 1.00 0.00 H ATOM 1885 HG11 VAL A 144 5.541 6.160 -1.506 1.00 0.00 H ATOM 1886 HG12 VAL A 144 5.769 7.716 -0.670 1.00 0.00 H ATOM 1887 HG13 VAL A 144 7.172 6.858 -1.351 1.00 0.00 H ATOM 1888 HG21 VAL A 144 6.986 7.712 1.622 1.00 0.00 H ATOM 1889 HG22 VAL A 144 7.560 6.152 2.262 1.00 0.00 H ATOM 1890 HG23 VAL A 144 8.334 6.863 0.825 1.00 0.00 H ATOM 1891 H VAL A 144 5.786 4.184 2.424 1.00 0.00 H ATOM 1892 N SER A 145 3.025 5.818 -0.123 1.00 19.68 N ATOM 1893 CA SER A 145 1.920 5.228 -0.851 1.00 18.83 C ATOM 1894 C SER A 145 1.704 5.910 -2.197 1.00 17.57 C ATOM 1895 O SER A 145 1.542 7.138 -2.288 1.00 18.75 O ATOM 1896 CB SER A 145 0.647 5.288 -0.009 1.00 21.34 C ATOM 1897 OG SER A 145 -0.476 4.895 -0.768 1.00 24.56 O ATOM 1898 HA SER A 145 2.168 4.185 -1.050 1.00 0.00 H ATOM 1899 HB2 SER A 145 0.500 6.309 0.345 1.00 0.00 H ATOM 1900 HB3 SER A 145 0.752 4.620 0.846 1.00 0.00 H ATOM 1901 HG SER A 145 -1.288 4.942 -0.203 1.00 0.00 H ATOM 1902 H SER A 145 3.010 6.837 0.087 1.00 0.00 H ATOM 1903 N VAL A 146 1.664 5.090 -3.236 1.00 17.02 N ATOM 1904 CA VAL A 146 1.595 5.570 -4.613 1.00 18.21 C ATOM 1905 C VAL A 146 0.336 5.041 -5.288 1.00 18.42 C ATOM 1906 O VAL A 146 0.083 3.831 -5.289 1.00 19.95 O ATOM 1907 CB VAL A 146 2.834 5.100 -5.403 1.00 17.96 C ATOM 1908 CG1 VAL A 146 2.820 5.650 -6.852 1.00 19.13 C ATOM 1909 CG2 VAL A 146 4.132 5.472 -4.644 1.00 16.27 C ATOM 1910 HA VAL A 146 1.568 6.660 -4.600 1.00 0.00 H ATOM 1911 HB VAL A 146 2.803 4.013 -5.484 1.00 0.00 H ATOM 1912 HG11 VAL A 146 1.926 5.296 -7.365 1.00 0.00 H ATOM 1913 HG12 VAL A 146 2.818 6.740 -6.826 1.00 0.00 H ATOM 1914 HG13 VAL A 146 3.707 5.300 -7.381 1.00 0.00 H ATOM 1915 HG21 VAL A 146 4.180 6.554 -4.518 1.00 0.00 H ATOM 1916 HG22 VAL A 146 4.130 4.990 -3.666 1.00 0.00 H ATOM 1917 HG23 VAL A 146 4.996 5.133 -5.216 1.00 0.00 H ATOM 1918 H VAL A 146 1.682 4.064 -3.064 1.00 0.00 H ATOM 1919 N SER A 147 -0.444 5.949 -5.867 1.00 17.47 N ATOM 1920 CA SER A 147 -1.667 5.597 -6.577 1.00 18.26 C ATOM 1921 C SER A 147 -1.468 5.669 -8.084 1.00 18.25 C ATOM 1922 O SER A 147 -0.861 6.616 -8.587 1.00 19.01 O ATOM 1923 CB SER A 147 -2.814 6.543 -6.172 1.00 18.63 C ATOM 1924 OG SER A 147 -3.224 6.301 -4.841 1.00 17.90 O ATOM 1925 HA SER A 147 -1.923 4.573 -6.305 1.00 0.00 H ATOM 1926 HB2 SER A 147 -3.660 6.384 -6.840 1.00 0.00 H ATOM 1927 HB3 SER A 147 -2.473 7.575 -6.258 1.00 0.00 H ATOM 1928 HG SER A 147 -2.459 6.448 -4.230 1.00 0.00 H ATOM 1929 H SER A 147 -0.170 6.951 -5.811 1.00 0.00 H ATOM 1930 N LEU A 148 -1.995 4.672 -8.792 1.00 16.34 N ATOM 1931 CA LEU A 148 -1.895 4.594 -10.244 1.00 18.59 C ATOM 1932 C LEU A 148 -3.209 4.103 -10.846 1.00 22.26 C ATOM 1933 O LEU A 148 -3.853 3.207 -10.296 1.00 24.38 O ATOM 1934 CB LEU A 148 -0.765 3.628 -10.645 1.00 21.27 C ATOM 1935 CG LEU A 148 0.645 3.909 -10.112 1.00 25.15 C ATOM 1936 CD1 LEU A 148 1.534 2.633 -10.112 1.00 22.50 C ATOM 1937 CD2 LEU A 148 1.310 5.047 -10.890 1.00 27.16 C ATOM 1938 HA LEU A 148 -1.677 5.592 -10.624 1.00 0.00 H ATOM 1939 HB2 LEU A 148 -1.050 2.634 -10.300 1.00 0.00 H ATOM 1940 HB3 LEU A 148 -0.707 3.631 -11.733 1.00 0.00 H ATOM 1941 HG LEU A 148 0.540 4.225 -9.074 1.00 0.00 H ATOM 1942 HD21 LEU A 148 1.382 4.772 -11.942 1.00 0.00 H ATOM 1943 HD22 LEU A 148 0.711 5.952 -10.790 1.00 0.00 H ATOM 1944 HD23 LEU A 148 2.308 5.224 -10.490 1.00 0.00 H ATOM 1945 HD11 LEU A 148 1.076 1.873 -9.479 1.00 0.00 H ATOM 1946 HD12 LEU A 148 1.624 2.254 -11.130 1.00 0.00 H ATOM 1947 HD13 LEU A 148 2.523 2.881 -9.726 1.00 0.00 H ATOM 1948 H LEU A 148 -2.500 3.916 -8.287 1.00 0.00 H ATOM 1949 N GLY A 149 -3.592 4.672 -11.986 1.00 22.75 N ATOM 1950 CA GLY A 149 -4.802 4.261 -12.674 1.00 26.16 C ATOM 1951 C GLY A 149 -6.058 4.951 -12.165 1.00 27.99 C ATOM 1952 O GLY A 149 -6.065 6.164 -11.958 1.00 28.27 O ATOM 1953 HA3 GLY A 149 -4.923 3.185 -12.545 1.00 0.00 H ATOM 1954 HA2 GLY A 149 -4.690 4.488 -13.734 1.00 0.00 H ATOM 1955 H GLY A 149 -3.010 5.431 -12.395 1.00 0.00 H ATOM 1956 N LEU A 150 -7.118 4.171 -11.951 1.00 26.79 N ATOM 1957 CA LEU A 150 -8.427 4.721 -11.609 1.00 27.30 C ATOM 1958 C LEU A 150 -8.415 5.386 -10.246 1.00 26.44 C ATOM 1959 O LEU A 150 -7.742 4.913 -9.316 1.00 24.53 O ATOM 1960 CB LEU A 150 -9.493 3.628 -11.625 1.00 28.62 C ATOM 1961 CG LEU A 150 -9.851 2.995 -12.975 1.00 32.57 C ATOM 1962 CD1 LEU A 150 -10.795 1.825 -12.750 1.00 32.73 C ATOM 1963 CD2 LEU A 150 -10.483 4.025 -13.881 1.00 34.88 C ATOM 1964 HA LEU A 150 -8.664 5.473 -12.361 1.00 0.00 H ATOM 1965 HB2 LEU A 150 -9.147 2.827 -10.972 1.00 0.00 H ATOM 1966 HB3 LEU A 150 -10.407 4.059 -11.216 1.00 0.00 H ATOM 1967 HG LEU A 150 -8.944 2.629 -13.457 1.00 0.00 H ATOM 1968 HD21 LEU A 150 -11.390 4.410 -13.414 1.00 0.00 H ATOM 1969 HD22 LEU A 150 -9.781 4.843 -14.044 1.00 0.00 H ATOM 1970 HD23 LEU A 150 -10.732 3.563 -14.836 1.00 0.00 H ATOM 1971 HD11 LEU A 150 -10.308 1.083 -12.117 1.00 0.00 H ATOM 1972 HD12 LEU A 150 -11.703 2.181 -12.262 1.00 0.00 H ATOM 1973 HD13 LEU A 150 -11.049 1.375 -13.710 1.00 0.00 H ATOM 1974 H LEU A 150 -7.009 3.140 -12.030 1.00 0.00 H ATOM 1975 N PRO A 151 -9.170 6.485 -10.117 1.00 26.16 N ATOM 1976 CA PRO A 151 -9.231 7.211 -8.844 1.00 22.05 C ATOM 1977 C PRO A 151 -10.004 6.442 -7.774 1.00 22.42 C ATOM 1978 O PRO A 151 -10.960 5.718 -8.082 1.00 21.08 O ATOM 1979 CB PRO A 151 -9.966 8.505 -9.213 1.00 24.60 C ATOM 1980 CG PRO A 151 -10.814 8.137 -10.420 1.00 27.40 C ATOM 1981 CD PRO A 151 -10.013 7.096 -11.165 1.00 26.30 C ATOM 1982 HA PRO A 151 -8.242 7.373 -8.416 1.00 0.00 H ATOM 1983 HD3 PRO A 151 -10.668 6.353 -11.619 1.00 0.00 H ATOM 1984 HD2 PRO A 151 -9.399 7.558 -11.938 1.00 0.00 H ATOM 1985 HG3 PRO A 151 -10.984 9.011 -11.049 1.00 0.00 H ATOM 1986 HG2 PRO A 151 -11.773 7.727 -10.103 1.00 0.00 H ATOM 1987 HB2 PRO A 151 -10.595 8.838 -8.388 1.00 0.00 H ATOM 1988 HB3 PRO A 151 -9.256 9.292 -9.467 1.00 0.00 H ATOM 1989 N ALA A 152 -9.601 6.637 -6.521 1.00 22.77 N ATOM 1990 CA ALA A 152 -10.187 5.940 -5.381 1.00 23.32 C ATOM 1991 C ALA A 152 -10.396 6.919 -4.226 1.00 22.16 C ATOM 1992 O ALA A 152 -9.644 7.875 -4.073 1.00 21.97 O ATOM 1993 CB ALA A 152 -9.248 4.783 -4.925 1.00 14.57 C ATOM 1994 HA ALA A 152 -11.150 5.523 -5.677 1.00 0.00 H ATOM 1995 HB1 ALA A 152 -9.115 4.080 -5.747 1.00 0.00 H ATOM 1996 HB2 ALA A 152 -8.281 5.194 -4.637 1.00 0.00 H ATOM 1997 HB3 ALA A 152 -9.694 4.269 -4.074 1.00 0.00 H ATOM 1998 H ALA A 152 -8.834 7.317 -6.346 1.00 0.00 H ATOM 1999 N ILE A 153 -11.405 6.662 -3.408 1.00 21.81 N ATOM 2000 CA ILE A 153 -11.668 7.477 -2.235 1.00 21.28 C ATOM 2001 C ILE A 153 -10.984 6.855 -1.037 1.00 20.11 C ATOM 2002 O ILE A 153 -11.328 5.751 -0.604 1.00 21.11 O ATOM 2003 CB ILE A 153 -13.173 7.586 -1.921 1.00 23.10 C ATOM 2004 CG1 ILE A 153 -13.902 8.302 -3.052 1.00 24.34 C ATOM 2005 CG2 ILE A 153 -13.380 8.344 -0.606 1.00 23.89 C ATOM 2006 CD1 ILE A 153 -15.401 8.246 -2.924 1.00 30.56 C ATOM 2007 HA ILE A 153 -11.287 8.477 -2.443 1.00 0.00 H ATOM 2008 HB ILE A 153 -13.582 6.580 -1.823 1.00 0.00 H ATOM 2009 HG12 ILE A 153 -13.594 9.347 -3.056 1.00 0.00 H ATOM 2010 HG13 ILE A 153 -13.618 7.837 -3.996 1.00 0.00 H ATOM 2011 HD11 ILE A 153 -15.726 7.206 -2.930 1.00 0.00 H ATOM 2012 HD12 ILE A 153 -15.702 8.717 -1.988 1.00 0.00 H ATOM 2013 HD13 ILE A 153 -15.856 8.775 -3.762 1.00 0.00 H ATOM 2014 HG21 ILE A 153 -12.882 7.809 0.203 1.00 0.00 H ATOM 2015 HG22 ILE A 153 -12.958 9.345 -0.695 1.00 0.00 H ATOM 2016 HG23 ILE A 153 -14.447 8.415 -0.393 1.00 0.00 H ATOM 2017 H ILE A 153 -12.027 5.854 -3.611 1.00 0.00 H ATOM 2018 N PHE A 154 -10.011 7.576 -0.508 1.00 17.37 N ATOM 2019 CA PHE A 154 -9.246 7.128 0.645 1.00 19.22 C ATOM 2020 C PHE A 154 -9.927 7.697 1.883 1.00 22.87 C ATOM 2021 O PHE A 154 -10.243 8.894 1.940 1.00 22.63 O ATOM 2022 CB PHE A 154 -7.803 7.639 0.501 1.00 17.06 C ATOM 2023 CG PHE A 154 -6.904 7.294 1.652 1.00 20.28 C ATOM 2024 CD1 PHE A 154 -6.298 6.049 1.732 1.00 23.36 C ATOM 2025 CD2 PHE A 154 -6.621 8.234 2.624 1.00 23.14 C ATOM 2026 CE1 PHE A 154 -5.454 5.748 2.785 1.00 25.81 C ATOM 2027 CE2 PHE A 154 -5.775 7.937 3.672 1.00 25.58 C ATOM 2028 CZ PHE A 154 -5.191 6.686 3.748 1.00 25.66 C ATOM 2029 HA PHE A 154 -9.209 6.041 0.724 1.00 0.00 H ATOM 2030 HB2 PHE A 154 -7.377 7.208 -0.405 1.00 0.00 H ATOM 2031 HB3 PHE A 154 -7.834 8.724 0.406 1.00 0.00 H ATOM 2032 HD2 PHE A 154 -7.073 9.224 2.562 1.00 0.00 H ATOM 2033 HE2 PHE A 154 -5.568 8.685 4.437 1.00 0.00 H ATOM 2034 HZ PHE A 154 -4.521 6.446 4.574 1.00 0.00 H ATOM 2035 HE1 PHE A 154 -4.996 4.761 2.849 1.00 0.00 H ATOM 2036 HD1 PHE A 154 -6.488 5.303 0.960 1.00 0.00 H ATOM 2037 H PHE A 154 -9.784 8.498 -0.932 1.00 0.00 H ATOM 2038 N GLN A 155 -10.187 6.839 2.863 1.00 24.86 N ATOM 2039 CA GLN A 155 -10.801 7.297 4.103 1.00 25.16 C ATOM 2040 C GLN A 155 -9.889 6.993 5.282 1.00 25.58 C ATOM 2041 O GLN A 155 -9.202 5.964 5.314 1.00 23.89 O ATOM 2042 CB GLN A 155 -12.188 6.662 4.296 1.00 27.27 C ATOM 2043 CG GLN A 155 -12.211 5.142 4.161 1.00 30.12 C ATOM 2044 CD GLN A 155 -13.626 4.577 4.209 1.00 34.83 C ATOM 2045 OE1 GLN A 155 -14.598 5.286 3.950 1.00 35.71 O ATOM 2046 NE2 GLN A 155 -13.744 3.301 4.554 1.00 36.23 N ATOM 2047 HA GLN A 155 -10.939 8.377 4.045 1.00 0.00 H ATOM 2048 HB2 GLN A 155 -12.546 6.921 5.292 1.00 0.00 H ATOM 2049 HB3 GLN A 155 -12.862 7.081 3.549 1.00 0.00 H ATOM 2050 HG2 GLN A 155 -11.756 4.868 3.209 1.00 0.00 H ATOM 2051 HG3 GLN A 155 -11.633 4.709 4.977 1.00 0.00 H ATOM 2052 HE22 GLN A 155 -12.895 2.739 4.765 1.00 0.00 H ATOM 2053 HE21 GLN A 155 -14.686 2.863 4.614 1.00 0.00 H ATOM 2054 H GLN A 155 -9.951 5.833 2.745 1.00 0.00 H ATOM 2055 N PHE A 156 -9.869 7.896 6.252 1.00 26.03 N ATOM 2056 CA PHE A 156 -9.020 7.709 7.416 1.00 30.94 C ATOM 2057 C PHE A 156 -9.674 8.337 8.638 1.00 33.81 C ATOM 2058 O PHE A 156 -10.319 9.386 8.546 1.00 32.62 O ATOM 2059 CB PHE A 156 -7.648 8.331 7.166 1.00 32.21 C ATOM 2060 CG PHE A 156 -7.712 9.781 6.806 1.00 36.00 C ATOM 2061 CD1 PHE A 156 -7.511 10.755 7.769 1.00 38.65 C ATOM 2062 CD2 PHE A 156 -7.990 10.171 5.507 1.00 37.11 C ATOM 2063 CE1 PHE A 156 -7.572 12.098 7.441 1.00 40.45 C ATOM 2064 CE2 PHE A 156 -8.061 11.514 5.172 1.00 39.08 C ATOM 2065 CZ PHE A 156 -7.846 12.477 6.140 1.00 39.59 C ATOM 2066 HA PHE A 156 -8.890 6.642 7.598 1.00 0.00 H ATOM 2067 HB2 PHE A 156 -7.050 8.225 8.071 1.00 0.00 H ATOM 2068 HB3 PHE A 156 -7.167 7.792 6.349 1.00 0.00 H ATOM 2069 HD2 PHE A 156 -8.155 9.414 4.740 1.00 0.00 H ATOM 2070 HE2 PHE A 156 -8.286 11.810 4.147 1.00 0.00 H ATOM 2071 HZ PHE A 156 -7.892 13.534 5.878 1.00 0.00 H ATOM 2072 HE1 PHE A 156 -7.404 12.855 8.207 1.00 0.00 H ATOM 2073 HD1 PHE A 156 -7.302 10.461 8.798 1.00 0.00 H ATOM 2074 H PHE A 156 -10.466 8.745 6.179 1.00 0.00 H ATOM 2075 N GLY A 157 -9.510 7.691 9.784 1.00 36.04 N ATOM 2076 CA GLY A 157 -10.138 8.162 11.003 1.00 38.92 C ATOM 2077 C GLY A 157 -9.103 8.588 12.015 1.00 40.82 C ATOM 2078 O GLY A 157 -8.474 9.636 11.875 1.00 41.77 O ATOM 2079 HA3 GLY A 157 -10.742 7.359 11.426 1.00 0.00 H ATOM 2080 HA2 GLY A 157 -10.779 9.012 10.769 1.00 0.00 H ATOM 2081 H GLY A 157 -8.922 6.834 9.809 1.00 0.00 H ATOM 2082 N GLY A 158 -8.932 7.767 13.042 1.00 43.05 N ATOM 2083 CA GLY A 158 -7.941 8.023 14.069 1.00 45.76 C ATOM 2084 C GLY A 158 -7.433 6.732 14.674 1.00 46.42 C ATOM 2085 O GLY A 158 -7.331 5.716 13.990 1.00 46.38 O ATOM 2086 HA3 GLY A 158 -8.391 8.631 14.854 1.00 0.00 H ATOM 2087 HA2 GLY A 158 -7.103 8.563 13.628 1.00 0.00 H ATOM 2088 H GLY A 158 -9.525 6.916 13.113 1.00 0.00 H ATOM 2089 N LEU A 159 -7.134 6.778 15.966 1.00 48.65 N ATOM 2090 CA LEU A 159 -6.574 5.647 16.703 1.00 51.22 C ATOM 2091 C LEU A 159 -7.611 4.584 17.087 1.00 51.97 C ATOM 2092 O LEU A 159 -7.247 3.485 17.492 1.00 52.46 O ATOM 2093 CB LEU A 159 -5.886 6.153 17.976 1.00 54.97 C ATOM 2094 CG LEU A 159 -4.925 7.333 17.814 1.00 56.70 C ATOM 2095 CD1 LEU A 159 -4.556 7.922 19.167 1.00 62.55 C ATOM 2096 CD2 LEU A 159 -3.675 6.927 17.038 1.00 55.61 C ATOM 2097 HA LEU A 159 -5.862 5.168 16.031 1.00 0.00 H ATOM 2098 HB2 LEU A 159 -6.665 6.455 18.676 1.00 0.00 H ATOM 2099 HB3 LEU A 159 -5.321 5.322 18.399 1.00 0.00 H ATOM 2100 HG LEU A 159 -5.438 8.102 17.237 1.00 0.00 H ATOM 2101 HD21 LEU A 159 -3.159 6.130 17.574 1.00 0.00 H ATOM 2102 HD22 LEU A 159 -3.962 6.574 16.047 1.00 0.00 H ATOM 2103 HD23 LEU A 159 -3.014 7.788 16.941 1.00 0.00 H ATOM 2104 HD11 LEU A 159 -5.459 8.271 19.668 1.00 0.00 H ATOM 2105 HD12 LEU A 159 -4.073 7.157 19.775 1.00 0.00 H ATOM 2106 HD13 LEU A 159 -3.872 8.759 19.023 1.00 0.00 H ATOM 2107 H LEU A 159 -7.307 7.665 16.481 1.00 0.00 H ATOM 2108 N LYS A 160 -8.897 4.909 16.984 1.00 50.39 N ATOM 2109 CA LYS A 160 -9.934 3.937 17.310 1.00 51.65 C ATOM 2110 C LYS A 160 -10.804 3.565 16.114 1.00 50.03 C ATOM 2111 O LYS A 160 -11.122 4.411 15.277 1.00 48.29 O ATOM 2112 HA LYS A 160 -9.456 3.032 17.686 1.00 0.00 H ATOM 2113 H LYS A 160 -9.165 5.863 16.669 1.00 0.00 H ATOM 2114 N ARG A 161 -11.194 2.295 16.050 1.00 50.90 N ATOM 2115 CA ARG A 161 -12.043 1.799 14.970 1.00 50.99 C ATOM 2116 C ARG A 161 -13.298 2.649 14.723 1.00 52.24 C ATOM 2117 O ARG A 161 -13.772 2.749 13.588 1.00 49.17 O ATOM 2118 HA ARG A 161 -11.455 1.780 14.052 1.00 0.00 H ATOM 2119 H ARG A 161 -10.885 1.635 16.792 1.00 0.00 H ATOM 2120 N ASN A 162 -13.839 3.253 15.780 1.00 54.89 N ATOM 2121 CA ASN A 162 -15.076 4.028 15.652 1.00 54.51 C ATOM 2122 C ASN A 162 -14.904 5.535 15.413 1.00 51.61 C ATOM 2123 O ASN A 162 -15.893 6.250 15.239 1.00 51.92 O ATOM 2124 CB ASN A 162 -16.022 3.777 16.842 1.00 60.00 C ATOM 2125 CG ASN A 162 -15.457 4.271 18.167 1.00 64.46 C ATOM 2126 OD1 ASN A 162 -14.352 4.811 18.225 1.00 65.53 O ATOM 2127 ND2 ASN A 162 -16.224 4.097 19.238 1.00 67.06 N ATOM 2128 HA ASN A 162 -15.523 3.650 14.733 1.00 0.00 H ATOM 2129 HB2 ASN A 162 -16.964 4.292 16.652 1.00 0.00 H ATOM 2130 HB3 ASN A 162 -16.205 2.705 16.920 1.00 0.00 H ATOM 2131 HD22 ASN A 162 -17.151 3.636 19.144 1.00 0.00 H ATOM 2132 HD21 ASN A 162 -15.897 4.422 20.170 1.00 0.00 H ATOM 2133 H ASN A 162 -13.377 3.173 16.708 1.00 0.00 H ATOM 2134 N ASP A 163 -13.664 6.019 15.414 1.00 49.80 N ATOM 2135 CA ASP A 163 -13.405 7.433 15.122 1.00 49.51 C ATOM 2136 C ASP A 163 -14.036 7.855 13.795 1.00 46.43 C ATOM 2137 O ASP A 163 -14.111 7.055 12.866 1.00 43.91 O ATOM 2138 CB ASP A 163 -11.903 7.719 15.091 1.00 48.75 C ATOM 2139 CG ASP A 163 -11.290 7.771 16.473 1.00 53.17 C ATOM 2140 OD1 ASP A 163 -10.053 7.636 16.573 1.00 54.05 O ATOM 2141 OD2 ASP A 163 -12.038 7.950 17.458 1.00 55.36 O ATOM 2142 HA ASP A 163 -13.861 8.015 15.923 1.00 0.00 H ATOM 2143 HB2 ASP A 163 -11.410 6.933 14.520 1.00 0.00 H ATOM 2144 HB3 ASP A 163 -11.741 8.679 14.601 1.00 0.00 H ATOM 2145 H ASP A 163 -12.867 5.385 15.625 1.00 0.00 H ATOM 2146 N PRO A 164 -14.496 9.119 13.707 1.00 46.65 N ATOM 2147 CA PRO A 164 -15.131 9.658 12.491 1.00 42.26 C ATOM 2148 C PRO A 164 -14.166 9.669 11.309 1.00 38.03 C ATOM 2149 O PRO A 164 -12.984 9.946 11.494 1.00 39.45 O ATOM 2150 CB PRO A 164 -15.478 11.101 12.882 1.00 43.69 C ATOM 2151 CG PRO A 164 -15.458 11.126 14.376 1.00 48.08 C ATOM 2152 CD PRO A 164 -14.417 10.125 14.780 1.00 48.08 C ATOM 2153 HA PRO A 164 -15.989 9.062 12.178 1.00 0.00 H ATOM 2154 HD3 PRO A 164 -13.428 10.581 14.819 1.00 0.00 H ATOM 2155 HD2 PRO A 164 -14.651 9.685 15.749 1.00 0.00 H ATOM 2156 HG3 PRO A 164 -16.433 10.845 14.775 1.00 0.00 H ATOM 2157 HG2 PRO A 164 -15.192 12.119 14.737 1.00 0.00 H ATOM 2158 HB2 PRO A 164 -14.739 11.793 12.479 1.00 0.00 H ATOM 2159 HB3 PRO A 164 -16.466 11.370 12.509 1.00 0.00 H ATOM 2160 N LEU A 165 -14.663 9.378 10.111 1.00 35.12 N ATOM 2161 CA LEU A 165 -13.805 9.284 8.937 1.00 33.65 C ATOM 2162 C LEU A 165 -13.777 10.577 8.126 1.00 33.22 C ATOM 2163 O LEU A 165 -14.767 11.312 8.051 1.00 32.42 O ATOM 2164 CB LEU A 165 -14.242 8.126 8.038 1.00 33.25 C ATOM 2165 CG LEU A 165 -14.156 6.722 8.624 1.00 34.41 C ATOM 2166 CD1 LEU A 165 -14.761 5.715 7.659 1.00 36.80 C ATOM 2167 CD2 LEU A 165 -12.708 6.364 8.935 1.00 29.51 C ATOM 2168 HA LEU A 165 -12.796 9.102 9.306 1.00 0.00 H ATOM 2169 HB2 LEU A 165 -15.280 8.302 7.757 1.00 0.00 H ATOM 2170 HB3 LEU A 165 -13.617 8.149 7.146 1.00 0.00 H ATOM 2171 HG LEU A 165 -14.722 6.695 9.555 1.00 0.00 H ATOM 2172 HD21 LEU A 165 -12.120 6.403 8.018 1.00 0.00 H ATOM 2173 HD22 LEU A 165 -12.306 7.076 9.656 1.00 0.00 H ATOM 2174 HD23 LEU A 165 -12.665 5.358 9.353 1.00 0.00 H ATOM 2175 HD11 LEU A 165 -15.807 5.966 7.482 1.00 0.00 H ATOM 2176 HD12 LEU A 165 -14.215 5.744 6.716 1.00 0.00 H ATOM 2177 HD13 LEU A 165 -14.694 4.716 8.089 1.00 0.00 H ATOM 2178 H LEU A 165 -15.685 9.214 10.010 1.00 0.00 H ATOM 2179 N LYS A 166 -12.616 10.861 7.551 1.00 31.73 N ATOM 2180 CA LYS A 166 -12.477 11.921 6.570 1.00 32.13 C ATOM 2181 C LYS A 166 -12.128 11.229 5.261 1.00 28.47 C ATOM 2182 O LYS A 166 -11.611 10.123 5.265 1.00 26.56 O ATOM 2183 CB LYS A 166 -11.385 12.910 6.978 1.00 35.67 C ATOM 2184 CG LYS A 166 -11.744 13.737 8.210 1.00 41.32 C ATOM 2185 CD LYS A 166 -10.497 14.263 8.904 1.00 47.52 C ATOM 2186 CE LYS A 166 -10.186 13.482 10.197 1.00 53.44 C ATOM 2187 NZ LYS A 166 -9.806 12.047 9.979 1.00 53.41 N ATOM 2188 HA LYS A 166 -13.394 12.503 6.481 1.00 0.00 H ATOM 2189 HB2 LYS A 166 -10.474 12.351 7.191 1.00 0.00 H ATOM 2190 HB3 LYS A 166 -11.206 13.590 6.145 1.00 0.00 H ATOM 2191 HG2 LYS A 166 -12.363 14.580 7.904 1.00 0.00 H ATOM 2192 HG3 LYS A 166 -12.302 13.112 8.907 1.00 0.00 H ATOM 2193 HD2 LYS A 166 -9.650 14.171 8.224 1.00 0.00 H ATOM 2194 HD3 LYS A 166 -10.649 15.313 9.154 1.00 0.00 H ATOM 2195 HE2 LYS A 166 -11.071 13.508 10.832 1.00 0.00 H ATOM 2196 HE3 LYS A 166 -9.361 13.980 10.706 1.00 0.00 H ATOM 2197 HZ1 LYS A 166 -10.588 11.551 9.505 1.00 0.00 H ATOM 2198 HZ2 LYS A 166 -8.954 12.002 9.384 1.00 0.00 H ATOM 2199 HZ3 LYS A 166 -9.614 11.597 10.897 1.00 0.00 H ATOM 2200 H LYS A 166 -11.777 10.305 7.812 1.00 0.00 H ATOM 2201 N ARG A 167 -12.420 11.882 4.149 1.00 25.70 N ATOM 2202 CA ARG A 167 -12.273 11.284 2.824 1.00 24.06 C ATOM 2203 C ARG A 167 -11.414 12.165 1.932 1.00 22.94 C ATOM 2204 O ARG A 167 -11.551 13.397 1.946 1.00 23.11 O ATOM 2205 CB ARG A 167 -13.645 11.134 2.159 1.00 23.84 C ATOM 2206 CG ARG A 167 -14.481 9.976 2.653 1.00 26.12 C ATOM 2207 CD ARG A 167 -15.959 10.353 2.761 1.00 28.91 C ATOM 2208 NE ARG A 167 -16.312 10.741 4.126 1.00 34.07 N ATOM 2209 CZ ARG A 167 -16.672 11.964 4.499 1.00 35.89 C ATOM 2210 NH1 ARG A 167 -16.748 12.946 3.615 1.00 35.53 N ATOM 2211 NH2 ARG A 167 -16.960 12.204 5.767 1.00 39.77 N ATOM 2212 HA ARG A 167 -11.802 10.309 2.949 1.00 0.00 H ATOM 2213 HB2 ARG A 167 -14.206 12.052 2.333 1.00 0.00 H ATOM 2214 HB3 ARG A 167 -13.488 11.003 1.088 1.00 0.00 H ATOM 2215 HG2 ARG A 167 -14.378 9.143 1.957 1.00 0.00 H ATOM 2216 HG3 ARG A 167 -14.120 9.673 3.636 1.00 0.00 H ATOM 2217 HD2 ARG A 167 -16.566 9.497 2.467 1.00 0.00 H ATOM 2218 HD3 ARG A 167 -16.162 11.188 2.091 1.00 0.00 H ATOM 2219 HE ARG A 167 -16.279 10.004 4.859 1.00 0.00 H ATOM 2220 HH12 ARG A 167 -17.031 13.899 3.920 1.00 0.00 H ATOM 2221 HH11 ARG A 167 -16.525 12.764 2.616 1.00 0.00 H ATOM 2222 HH22 ARG A 167 -17.242 13.160 6.064 1.00 0.00 H ATOM 2223 HH21 ARG A 167 -16.904 11.437 6.467 1.00 0.00 H ATOM 2224 H ARG A 167 -12.768 12.859 4.220 1.00 0.00 H ATOM 2225 N LEU A 168 -10.567 11.539 1.137 1.00 20.35 N ATOM 2226 CA LEU A 168 -9.800 12.257 0.137 1.00 24.64 C ATOM 2227 C LEU A 168 -9.766 11.415 -1.137 1.00 22.39 C ATOM 2228 O LEU A 168 -9.470 10.224 -1.079 1.00 23.37 O ATOM 2229 CB LEU A 168 -8.374 12.496 0.640 1.00 31.28 C ATOM 2230 CG LEU A 168 -7.559 13.503 -0.165 1.00 38.66 C ATOM 2231 CD1 LEU A 168 -8.196 14.886 -0.053 1.00 42.25 C ATOM 2232 CD2 LEU A 168 -6.127 13.539 0.323 1.00 39.91 C ATOM 2233 HA LEU A 168 -10.262 13.224 -0.063 1.00 0.00 H ATOM 2234 HB2 LEU A 168 -8.435 12.856 1.667 1.00 0.00 H ATOM 2235 HB3 LEU A 168 -7.846 11.543 0.621 1.00 0.00 H ATOM 2236 HG LEU A 168 -7.553 13.198 -1.211 1.00 0.00 H ATOM 2237 HD21 LEU A 168 -6.110 13.829 1.374 1.00 0.00 H ATOM 2238 HD22 LEU A 168 -5.681 12.551 0.210 1.00 0.00 H ATOM 2239 HD23 LEU A 168 -5.563 14.263 -0.264 1.00 0.00 H ATOM 2240 HD11 LEU A 168 -9.213 14.849 -0.443 1.00 0.00 H ATOM 2241 HD12 LEU A 168 -8.218 15.191 0.993 1.00 0.00 H ATOM 2242 HD13 LEU A 168 -7.610 15.602 -0.630 1.00 0.00 H ATOM 2243 H LEU A 168 -10.447 10.510 1.229 1.00 0.00 H ATOM 2244 N LEU A 169 -10.070 12.026 -2.279 1.00 20.06 N ATOM 2245 CA LEU A 169 -9.858 11.346 -3.552 1.00 18.51 C ATOM 2246 C LEU A 169 -8.376 11.231 -3.863 1.00 19.71 C ATOM 2247 O LEU A 169 -7.656 12.236 -3.895 1.00 19.15 O ATOM 2248 CB LEU A 169 -10.525 12.084 -4.703 1.00 18.92 C ATOM 2249 CG LEU A 169 -10.492 11.320 -6.036 1.00 23.18 C ATOM 2250 CD1 LEU A 169 -11.494 10.166 -5.971 1.00 24.60 C ATOM 2251 CD2 LEU A 169 -10.819 12.227 -7.230 1.00 24.87 C ATOM 2252 HA LEU A 169 -10.302 10.355 -3.452 1.00 0.00 H ATOM 2253 HB2 LEU A 169 -11.566 12.266 -4.437 1.00 0.00 H ATOM 2254 HB3 LEU A 169 -10.015 13.037 -4.841 1.00 0.00 H ATOM 2255 HG LEU A 169 -9.481 10.941 -6.186 1.00 0.00 H ATOM 2256 HD21 LEU A 169 -11.817 12.647 -7.103 1.00 0.00 H ATOM 2257 HD22 LEU A 169 -10.088 13.034 -7.283 1.00 0.00 H ATOM 2258 HD23 LEU A 169 -10.783 11.642 -8.149 1.00 0.00 H ATOM 2259 HD11 LEU A 169 -11.222 9.496 -5.155 1.00 0.00 H ATOM 2260 HD12 LEU A 169 -12.494 10.564 -5.799 1.00 0.00 H ATOM 2261 HD13 LEU A 169 -11.477 9.618 -6.913 1.00 0.00 H ATOM 2262 H LEU A 169 -10.459 12.990 -2.264 1.00 0.00 H ATOM 2263 N LEU A 170 -7.915 10.012 -4.112 1.00 16.95 N ATOM 2264 CA LEU A 170 -6.557 9.816 -4.614 1.00 16.27 C ATOM 2265 C LEU A 170 -6.608 9.504 -6.103 1.00 19.22 C ATOM 2266 O LEU A 170 -7.356 8.621 -6.551 1.00 19.54 O ATOM 2267 CB LEU A 170 -5.843 8.677 -3.869 1.00 17.27 C ATOM 2268 CG LEU A 170 -5.582 8.848 -2.377 1.00 22.46 C ATOM 2269 CD1 LEU A 170 -4.915 7.602 -1.809 1.00 22.20 C ATOM 2270 CD2 LEU A 170 -4.713 10.090 -2.121 1.00 24.03 C ATOM 2271 HA LEU A 170 -5.994 10.734 -4.445 1.00 0.00 H ATOM 2272 HB2 LEU A 170 -6.450 7.780 -3.991 1.00 0.00 H ATOM 2273 HB3 LEU A 170 -4.877 8.529 -4.352 1.00 0.00 H ATOM 2274 HG LEU A 170 -6.538 8.989 -1.872 1.00 0.00 H ATOM 2275 HD21 LEU A 170 -3.760 9.977 -2.637 1.00 0.00 H ATOM 2276 HD22 LEU A 170 -5.228 10.975 -2.495 1.00 0.00 H ATOM 2277 HD23 LEU A 170 -4.538 10.195 -1.050 1.00 0.00 H ATOM 2278 HD11 LEU A 170 -5.567 6.742 -1.960 1.00 0.00 H ATOM 2279 HD12 LEU A 170 -3.966 7.435 -2.319 1.00 0.00 H ATOM 2280 HD13 LEU A 170 -4.736 7.741 -0.743 1.00 0.00 H ATOM 2281 H LEU A 170 -8.527 9.187 -3.948 1.00 0.00 H ATOM 2282 N GLU A 171 -5.788 10.207 -6.871 1.00 19.32 N ATOM 2283 CA GLU A 171 -5.804 10.050 -8.321 1.00 21.23 C ATOM 2284 C GLU A 171 -4.476 9.551 -8.870 1.00 22.16 C ATOM 2285 O GLU A 171 -3.453 9.560 -8.172 1.00 20.49 O ATOM 2286 CB GLU A 171 -6.175 11.376 -8.981 1.00 24.30 C ATOM 2287 CG GLU A 171 -7.607 11.769 -8.714 1.00 28.83 C ATOM 2288 CD GLU A 171 -8.114 12.821 -9.682 1.00 35.88 C ATOM 2289 OE1 GLU A 171 -8.738 12.442 -10.704 1.00 38.57 O ATOM 2290 OE2 GLU A 171 -7.890 14.020 -9.416 1.00 33.48 O ATOM 2291 HA GLU A 171 -6.553 9.293 -8.556 1.00 0.00 H ATOM 2292 HB2 GLU A 171 -5.519 12.156 -8.594 1.00 0.00 H ATOM 2293 HB3 GLU A 171 -6.032 11.284 -10.058 1.00 0.00 H ATOM 2294 HG2 GLU A 171 -8.235 10.882 -8.802 1.00 0.00 H ATOM 2295 HG3 GLU A 171 -7.678 12.164 -7.701 1.00 0.00 H ATOM 2296 H GLU A 171 -5.125 10.879 -6.434 1.00 0.00 H ATOM 2297 N HIS A 172 -4.515 9.125 -10.128 1.00 22.34 N ATOM 2298 CA HIS A 172 -3.351 8.633 -10.856 1.00 24.02 C ATOM 2299 C HIS A 172 -2.120 9.500 -10.632 1.00 25.41 C ATOM 2300 O HIS A 172 -2.125 10.696 -10.936 1.00 26.76 O ATOM 2301 CB HIS A 172 -3.663 8.554 -12.360 1.00 27.44 C ATOM 2302 CG HIS A 172 -2.537 8.002 -13.186 1.00 29.42 C ATOM 2303 ND1 HIS A 172 -2.182 6.669 -13.167 1.00 30.79 N ATOM 2304 CD2 HIS A 172 -1.693 8.601 -14.060 1.00 31.44 C ATOM 2305 CE1 HIS A 172 -1.169 6.471 -13.993 1.00 32.70 C ATOM 2306 NE2 HIS A 172 -0.852 7.628 -14.548 1.00 33.29 N ATOM 2307 HA HIS A 172 -3.127 7.638 -10.471 1.00 0.00 H ATOM 2308 HB2 HIS A 172 -4.535 7.915 -12.497 1.00 0.00 H ATOM 2309 HB3 HIS A 172 -3.891 9.558 -12.717 1.00 0.00 H ATOM 2310 HD2 HIS A 172 -1.682 9.658 -14.327 1.00 0.00 H ATOM 2311 HE1 HIS A 172 -0.679 5.516 -14.184 1.00 0.00 H ATOM 2312 H HIS A 172 -5.430 9.144 -10.623 1.00 0.00 H ATOM 2313 N GLY A 173 -1.069 8.891 -10.088 1.00 22.73 N ATOM 2314 CA GLY A 173 0.183 9.585 -9.859 1.00 22.47 C ATOM 2315 C GLY A 173 0.322 10.224 -8.493 1.00 22.36 C ATOM 2316 O GLY A 173 1.401 10.710 -8.147 1.00 24.63 O ATOM 2317 HA3 GLY A 173 0.277 10.369 -10.610 1.00 0.00 H ATOM 2318 HA2 GLY A 173 0.994 8.868 -9.981 1.00 0.00 H ATOM 2319 H GLY A 173 -1.148 7.889 -9.820 1.00 0.00 H ATOM 2320 N ASP A 174 -0.758 10.262 -7.718 1.00 20.73 N ATOM 2321 CA ASP A 174 -0.672 10.835 -6.373 1.00 18.99 C ATOM 2322 C ASP A 174 0.165 9.964 -5.445 1.00 20.09 C ATOM 2323 O ASP A 174 0.089 8.730 -5.480 1.00 20.87 O ATOM 2324 CB ASP A 174 -2.054 11.048 -5.741 1.00 21.91 C ATOM 2325 CG ASP A 174 -2.867 12.118 -6.449 1.00 23.34 C ATOM 2326 OD1 ASP A 174 -4.100 12.177 -6.227 1.00 22.14 O ATOM 2327 OD2 ASP A 174 -2.271 12.889 -7.229 1.00 22.28 O ATOM 2328 HA ASP A 174 -0.190 11.805 -6.494 1.00 0.00 H ATOM 2329 HB2 ASP A 174 -2.604 10.108 -5.782 1.00 0.00 H ATOM 2330 HB3 ASP A 174 -1.920 11.344 -4.701 1.00 0.00 H ATOM 2331 H ASP A 174 -1.663 9.885 -8.067 1.00 0.00 H ATOM 2332 N VAL A 175 0.953 10.629 -4.613 1.00 20.91 N ATOM 2333 CA VAL A 175 1.764 9.973 -3.601 1.00 22.47 C ATOM 2334 C VAL A 175 1.422 10.574 -2.239 1.00 23.85 C ATOM 2335 O VAL A 175 1.354 11.797 -2.068 1.00 24.16 O ATOM 2336 CB VAL A 175 3.260 10.171 -3.889 1.00 24.64 C ATOM 2337 CG1 VAL A 175 4.117 9.713 -2.700 1.00 26.63 C ATOM 2338 CG2 VAL A 175 3.648 9.442 -5.162 1.00 24.18 C ATOM 2339 HA VAL A 175 1.553 8.904 -3.610 1.00 0.00 H ATOM 2340 HB VAL A 175 3.448 11.235 -4.033 1.00 0.00 H ATOM 2341 HG11 VAL A 175 3.851 10.294 -1.817 1.00 0.00 H ATOM 2342 HG12 VAL A 175 3.935 8.655 -2.509 1.00 0.00 H ATOM 2343 HG13 VAL A 175 5.171 9.865 -2.933 1.00 0.00 H ATOM 2344 HG21 VAL A 175 3.444 8.378 -5.046 1.00 0.00 H ATOM 2345 HG22 VAL A 175 3.068 9.836 -5.996 1.00 0.00 H ATOM 2346 HG23 VAL A 175 4.711 9.590 -5.355 1.00 0.00 H ATOM 2347 H VAL A 175 0.993 11.666 -4.687 1.00 0.00 H ATOM 2348 N VAL A 176 1.191 9.708 -1.266 1.00 22.06 N ATOM 2349 CA VAL A 176 0.989 10.158 0.100 1.00 21.95 C ATOM 2350 C VAL A 176 2.138 9.622 0.933 1.00 24.24 C ATOM 2351 O VAL A 176 2.461 8.435 0.865 1.00 22.06 O ATOM 2352 CB VAL A 176 -0.334 9.625 0.661 1.00 19.83 C ATOM 2353 CG1 VAL A 176 -0.477 9.991 2.138 1.00 20.60 C ATOM 2354 CG2 VAL A 176 -1.526 10.165 -0.166 1.00 20.36 C ATOM 2355 HA VAL A 176 0.953 11.247 0.127 1.00 0.00 H ATOM 2356 HB VAL A 176 -0.334 8.538 0.584 1.00 0.00 H ATOM 2357 HG11 VAL A 176 0.348 9.554 2.701 1.00 0.00 H ATOM 2358 HG12 VAL A 176 -0.458 11.075 2.246 1.00 0.00 H ATOM 2359 HG13 VAL A 176 -1.423 9.603 2.517 1.00 0.00 H ATOM 2360 HG21 VAL A 176 -1.534 11.254 -0.122 1.00 0.00 H ATOM 2361 HG22 VAL A 176 -1.423 9.843 -1.202 1.00 0.00 H ATOM 2362 HG23 VAL A 176 -2.458 9.777 0.246 1.00 0.00 H ATOM 2363 H VAL A 176 1.154 8.691 -1.482 1.00 0.00 H ATOM 2364 N VAL A 177 2.778 10.497 1.692 1.00 24.24 N ATOM 2365 CA VAL A 177 3.765 10.047 2.657 1.00 27.15 C ATOM 2366 C VAL A 177 3.126 10.069 4.040 1.00 26.94 C ATOM 2367 O VAL A 177 2.875 11.123 4.602 1.00 30.03 O ATOM 2368 CB VAL A 177 5.061 10.889 2.620 1.00 25.83 C ATOM 2369 CG1 VAL A 177 6.026 10.386 3.656 1.00 24.19 C ATOM 2370 CG2 VAL A 177 5.684 10.824 1.245 1.00 24.75 C ATOM 2371 HA VAL A 177 4.070 9.032 2.401 1.00 0.00 H ATOM 2372 HB VAL A 177 4.817 11.928 2.841 1.00 0.00 H ATOM 2373 HG11 VAL A 177 5.572 10.467 4.643 1.00 0.00 H ATOM 2374 HG12 VAL A 177 6.267 9.343 3.450 1.00 0.00 H ATOM 2375 HG13 VAL A 177 6.936 10.984 3.624 1.00 0.00 H ATOM 2376 HG21 VAL A 177 5.923 9.788 1.004 1.00 0.00 H ATOM 2377 HG22 VAL A 177 4.981 11.216 0.510 1.00 0.00 H ATOM 2378 HG23 VAL A 177 6.596 11.421 1.232 1.00 0.00 H ATOM 2379 H VAL A 177 2.573 11.512 1.597 1.00 0.00 H ATOM 2380 N TRP A 178 2.863 8.882 4.570 1.00 26.21 N ATOM 2381 CA TRP A 178 2.015 8.688 5.744 1.00 28.37 C ATOM 2382 C TRP A 178 2.932 8.567 6.957 1.00 30.64 C ATOM 2383 O TRP A 178 3.491 7.500 7.215 1.00 29.59 O ATOM 2384 CB TRP A 178 1.226 7.389 5.528 1.00 31.03 C ATOM 2385 CG TRP A 178 0.095 7.068 6.468 1.00 35.49 C ATOM 2386 CD1 TRP A 178 0.073 6.076 7.415 1.00 38.22 C ATOM 2387 CD2 TRP A 178 -1.204 7.686 6.508 1.00 33.97 C ATOM 2388 NE1 TRP A 178 -1.146 6.062 8.057 1.00 38.92 N ATOM 2389 CE2 TRP A 178 -1.948 7.035 7.519 1.00 36.83 C ATOM 2390 CE3 TRP A 178 -1.803 8.731 5.799 1.00 30.42 C ATOM 2391 CZ2 TRP A 178 -3.256 7.403 7.846 1.00 36.64 C ATOM 2392 CZ3 TRP A 178 -3.109 9.087 6.117 1.00 32.75 C ATOM 2393 CH2 TRP A 178 -3.818 8.427 7.134 1.00 34.70 C ATOM 2394 HA TRP A 178 1.320 9.513 5.899 1.00 0.00 H ATOM 2395 HB2 TRP A 178 0.807 7.431 4.523 1.00 0.00 H ATOM 2396 HB3 TRP A 178 1.938 6.566 5.589 1.00 0.00 H ATOM 2397 HE1 TRP A 178 -1.415 5.416 8.827 1.00 0.00 H ATOM 2398 HD1 TRP A 178 0.899 5.398 7.628 1.00 0.00 H ATOM 2399 HZ2 TRP A 178 -3.807 6.894 8.637 1.00 0.00 H ATOM 2400 HH2 TRP A 178 -4.838 8.737 7.361 1.00 0.00 H ATOM 2401 HZ3 TRP A 178 -3.592 9.894 5.566 1.00 0.00 H ATOM 2402 HE3 TRP A 178 -1.258 9.255 5.014 1.00 0.00 H ATOM 2403 H TRP A 178 3.284 8.042 4.125 1.00 0.00 H ATOM 2404 N GLY A 179 3.111 9.666 7.683 1.00 31.12 N ATOM 2405 CA GLY A 179 4.001 9.677 8.829 1.00 33.06 C ATOM 2406 C GLY A 179 3.480 10.509 9.983 1.00 35.22 C ATOM 2407 O GLY A 179 2.321 10.914 9.996 1.00 33.90 O ATOM 2408 HA3 GLY A 179 4.963 10.082 8.516 1.00 0.00 H ATOM 2409 HA2 GLY A 179 4.135 8.652 9.174 1.00 0.00 H ATOM 2410 H GLY A 179 2.603 10.536 7.424 1.00 0.00 H ATOM 2411 N GLY A 180 4.345 10.775 10.953 1.00 39.89 N ATOM 2412 CA GLY A 180 3.952 11.549 12.116 1.00 42.78 C ATOM 2413 C GLY A 180 2.736 10.962 12.806 1.00 42.62 C ATOM 2414 O GLY A 180 2.589 9.740 12.910 1.00 42.54 O ATOM 2415 HA3 GLY A 180 3.721 12.566 11.800 1.00 0.00 H ATOM 2416 HA2 GLY A 180 4.782 11.569 12.822 1.00 0.00 H ATOM 2417 H GLY A 180 5.321 10.423 10.879 1.00 0.00 H ATOM 2418 N GLU A 181 1.851 11.836 13.269 1.00 41.82 N ATOM 2419 CA GLU A 181 0.701 11.411 14.050 1.00 44.73 C ATOM 2420 C GLU A 181 -0.228 10.450 13.308 1.00 42.66 C ATOM 2421 O GLU A 181 -0.832 9.566 13.920 1.00 43.09 O ATOM 2422 CB GLU A 181 -0.089 12.631 14.520 1.00 48.91 C ATOM 2423 CG GLU A 181 -1.352 12.277 15.275 1.00 52.47 C ATOM 2424 CD GLU A 181 -2.051 13.493 15.855 1.00 55.44 C ATOM 2425 OE1 GLU A 181 -1.566 14.629 15.639 1.00 56.30 O ATOM 2426 OE2 GLU A 181 -3.085 13.304 16.534 1.00 56.12 O ATOM 2427 HA GLU A 181 1.099 10.860 14.902 1.00 0.00 H ATOM 2428 HB2 GLU A 181 0.549 13.225 15.174 1.00 0.00 H ATOM 2429 HB3 GLU A 181 -0.363 13.223 13.647 1.00 0.00 H ATOM 2430 HG2 GLU A 181 -2.037 11.774 14.592 1.00 0.00 H ATOM 2431 HG3 GLU A 181 -1.093 11.602 16.091 1.00 0.00 H ATOM 2432 H GLU A 181 1.983 12.848 13.068 1.00 0.00 H ATOM 2433 N SER A 182 -0.339 10.614 11.991 1.00 40.53 N ATOM 2434 CA SER A 182 -1.288 9.840 11.197 1.00 37.76 C ATOM 2435 C SER A 182 -0.819 8.406 10.999 1.00 37.37 C ATOM 2436 O SER A 182 -1.599 7.535 10.608 1.00 34.53 O ATOM 2437 CB SER A 182 -1.513 10.497 9.831 1.00 35.88 C ATOM 2438 OG SER A 182 -0.448 10.213 8.936 1.00 34.96 O ATOM 2439 HA SER A 182 -2.227 9.821 11.750 1.00 0.00 H ATOM 2440 HB2 SER A 182 -1.586 11.576 9.964 1.00 0.00 H ATOM 2441 HB3 SER A 182 -2.443 10.121 9.406 1.00 0.00 H ATOM 2442 HG SER A 182 0.400 10.557 9.314 1.00 0.00 H ATOM 2443 H SER A 182 0.267 11.313 11.515 1.00 0.00 H ATOM 2444 N ARG A 183 0.460 8.169 11.270 1.00 38.83 N ATOM 2445 CA ARG A 183 1.070 6.869 11.013 1.00 39.27 C ATOM 2446 C ARG A 183 0.191 5.699 11.460 1.00 39.99 C ATOM 2447 O ARG A 183 -0.005 4.742 10.709 1.00 40.56 O ATOM 2448 CB ARG A 183 2.456 6.794 11.665 1.00 40.58 C ATOM 2449 CG ARG A 183 3.187 5.481 11.438 1.00 40.67 C ATOM 2450 CD ARG A 183 3.432 5.159 9.956 1.00 37.41 C ATOM 2451 NE ARG A 183 4.085 3.855 9.860 1.00 36.30 N ATOM 2452 CZ ARG A 183 3.430 2.703 9.941 1.00 35.22 C ATOM 2453 NH1 ARG A 183 2.111 2.708 10.078 1.00 37.42 N ATOM 2454 NH2 ARG A 183 4.079 1.551 9.874 1.00 34.02 N ATOM 2455 HA ARG A 183 1.177 6.775 9.932 1.00 0.00 H ATOM 2456 HB2 ARG A 183 3.068 7.600 11.259 1.00 0.00 H ATOM 2457 HB3 ARG A 183 2.336 6.936 12.739 1.00 0.00 H ATOM 2458 HG2 ARG A 183 4.151 5.532 11.943 1.00 0.00 H ATOM 2459 HG3 ARG A 183 2.593 4.677 11.872 1.00 0.00 H ATOM 2460 HD2 ARG A 183 4.072 5.923 9.516 1.00 0.00 H ATOM 2461 HD3 ARG A 183 2.481 5.133 9.424 1.00 0.00 H ATOM 2462 HE ARG A 183 5.115 3.828 9.721 1.00 0.00 H ATOM 2463 HH12 ARG A 183 1.591 1.809 10.142 1.00 0.00 H ATOM 2464 HH11 ARG A 183 1.596 3.611 10.121 1.00 0.00 H ATOM 2465 HH22 ARG A 183 3.555 0.655 9.939 1.00 0.00 H ATOM 2466 HH21 ARG A 183 5.112 1.542 9.757 1.00 0.00 H ATOM 2467 H ARG A 183 1.041 8.930 11.676 1.00 0.00 H ATOM 2468 N LEU A 184 -0.359 5.788 12.665 1.00 39.81 N ATOM 2469 CA LEU A 184 -1.131 4.681 13.227 1.00 42.79 C ATOM 2470 C LEU A 184 -2.653 4.761 13.019 1.00 41.58 C ATOM 2471 O LEU A 184 -3.388 3.863 13.431 1.00 43.42 O ATOM 2472 HA LEU A 184 -0.777 3.758 12.768 1.00 0.00 H ATOM 2473 H LEU A 184 -0.239 6.660 13.219 1.00 0.00 H ATOM 2474 N PHE A 185 -3.123 5.819 12.373 1.00 38.26 N ATOM 2475 CA PHE A 185 -4.558 5.991 12.152 1.00 36.04 C ATOM 2476 C PHE A 185 -5.171 4.872 11.316 1.00 32.40 C ATOM 2477 O PHE A 185 -4.548 4.377 10.380 1.00 32.65 O ATOM 2478 CB PHE A 185 -4.848 7.341 11.484 1.00 33.58 C ATOM 2479 CG PHE A 185 -4.740 8.517 12.412 1.00 36.88 C ATOM 2480 CD1 PHE A 185 -4.956 9.804 11.943 1.00 38.41 C ATOM 2481 CD2 PHE A 185 -4.420 8.342 13.746 1.00 41.64 C ATOM 2482 CE1 PHE A 185 -4.866 10.896 12.797 1.00 40.29 C ATOM 2483 CE2 PHE A 185 -4.328 9.429 14.604 1.00 44.79 C ATOM 2484 CZ PHE A 185 -4.546 10.707 14.123 1.00 43.46 C ATOM 2485 HA PHE A 185 -5.021 5.957 13.138 1.00 0.00 H ATOM 2486 HB2 PHE A 185 -4.137 7.480 10.669 1.00 0.00 H ATOM 2487 HB3 PHE A 185 -5.860 7.314 11.081 1.00 0.00 H ATOM 2488 HD2 PHE A 185 -4.238 7.338 14.128 1.00 0.00 H ATOM 2489 HE2 PHE A 185 -4.084 9.276 15.655 1.00 0.00 H ATOM 2490 HZ PHE A 185 -4.465 11.563 14.792 1.00 0.00 H ATOM 2491 HE1 PHE A 185 -5.049 11.902 12.418 1.00 0.00 H ATOM 2492 HD1 PHE A 185 -5.199 9.961 10.892 1.00 0.00 H ATOM 2493 H PHE A 185 -2.461 6.538 12.018 1.00 0.00 H ATOM 2494 N TYR A 186 -6.400 4.489 11.662 1.00 31.74 N ATOM 2495 CA TYR A 186 -7.214 3.601 10.834 1.00 30.89 C ATOM 2496 C TYR A 186 -7.486 4.251 9.485 1.00 26.93 C ATOM 2497 O TYR A 186 -7.692 5.459 9.410 1.00 27.20 O ATOM 2498 CB TYR A 186 -8.547 3.302 11.530 1.00 36.34 C ATOM 2499 CG TYR A 186 -8.478 2.211 12.567 1.00 42.73 C ATOM 2500 CD1 TYR A 186 -8.753 0.891 12.232 1.00 46.94 C ATOM 2501 CD2 TYR A 186 -8.134 2.495 13.881 1.00 46.13 C ATOM 2502 CE1 TYR A 186 -8.689 -0.118 13.183 1.00 51.07 C ATOM 2503 CE2 TYR A 186 -8.068 1.501 14.831 1.00 50.90 C ATOM 2504 CZ TYR A 186 -8.347 0.198 14.480 1.00 53.47 C ATOM 2505 OH TYR A 186 -8.279 -0.791 15.434 1.00 58.14 O ATOM 2506 HA TYR A 186 -6.669 2.669 10.685 1.00 0.00 H ATOM 2507 HB3 TYR A 186 -9.269 3.005 10.770 1.00 0.00 H ATOM 2508 HB2 TYR A 186 -8.889 4.215 12.018 1.00 0.00 H ATOM 2509 HD2 TYR A 186 -7.912 3.523 14.166 1.00 0.00 H ATOM 2510 HE2 TYR A 186 -7.796 1.744 15.858 1.00 0.00 H ATOM 2511 HE1 TYR A 186 -8.907 -1.150 12.907 1.00 0.00 H ATOM 2512 HD1 TYR A 186 -9.023 0.644 11.205 1.00 0.00 H ATOM 2513 HH TYR A 186 -8.506 -1.662 15.022 1.00 0.00 H ATOM 2514 H TYR A 186 -6.796 4.837 12.559 1.00 0.00 H ATOM 2515 N HIS A 187 -7.490 3.460 8.419 1.00 29.00 N ATOM 2516 CA HIS A 187 -7.747 3.988 7.079 1.00 26.51 C ATOM 2517 C HIS A 187 -8.160 2.876 6.137 1.00 28.46 C ATOM 2518 O HIS A 187 -7.991 1.694 6.442 1.00 31.69 O ATOM 2519 CB HIS A 187 -6.498 4.676 6.519 1.00 23.71 C ATOM 2520 CG HIS A 187 -5.289 3.795 6.509 1.00 25.69 C ATOM 2521 ND1 HIS A 187 -4.519 3.576 7.631 1.00 27.16 N ATOM 2522 CD2 HIS A 187 -4.742 3.045 5.523 1.00 26.03 C ATOM 2523 CE1 HIS A 187 -3.539 2.740 7.333 1.00 27.06 C ATOM 2524 NE2 HIS A 187 -3.645 2.413 6.057 1.00 27.02 N ATOM 2525 HA HIS A 187 -8.555 4.715 7.159 1.00 0.00 H ATOM 2526 HB2 HIS A 187 -6.705 4.990 5.496 1.00 0.00 H ATOM 2527 HB3 HIS A 187 -6.282 5.552 7.130 1.00 0.00 H ATOM 2528 HD2 HIS A 187 -5.104 2.959 4.498 1.00 0.00 H ATOM 2529 HE1 HIS A 187 -2.774 2.382 8.022 1.00 0.00 H ATOM 2530 H HIS A 187 -7.307 2.443 8.539 1.00 0.00 H ATOM 2531 N GLY A 188 -8.678 3.253 4.975 1.00 24.67 N ATOM 2532 CA GLY A 188 -9.171 2.268 4.040 1.00 26.06 C ATOM 2533 C GLY A 188 -9.517 2.886 2.709 1.00 23.45 C ATOM 2534 O GLY A 188 -9.332 4.081 2.502 1.00 24.01 O ATOM 2535 HA3 GLY A 188 -10.064 1.802 4.456 1.00 0.00 H ATOM 2536 HA2 GLY A 188 -8.403 1.509 3.888 1.00 0.00 H ATOM 2537 H GLY A 188 -8.729 4.264 4.736 1.00 0.00 H ATOM 2538 N ILE A 189 -10.054 2.069 1.819 1.00 22.40 N ATOM 2539 CA ILE A 189 -10.410 2.511 0.481 1.00 23.40 C ATOM 2540 C ILE A 189 -11.853 2.095 0.190 1.00 26.32 C ATOM 2541 O ILE A 189 -12.229 0.938 0.405 1.00 27.40 O ATOM 2542 CB ILE A 189 -9.443 1.900 -0.569 1.00 27.57 C ATOM 2543 CG1 ILE A 189 -8.021 2.440 -0.377 1.00 27.50 C ATOM 2544 CG2 ILE A 189 -9.915 2.190 -1.995 1.00 28.24 C ATOM 2545 CD1 ILE A 189 -7.813 3.837 -0.926 1.00 25.34 C ATOM 2546 HA ILE A 189 -10.325 3.596 0.420 1.00 0.00 H ATOM 2547 HB ILE A 189 -9.439 0.820 -0.418 1.00 0.00 H ATOM 2548 HG12 ILE A 189 -7.801 2.455 0.690 1.00 0.00 H ATOM 2549 HG13 ILE A 189 -7.327 1.767 -0.881 1.00 0.00 H ATOM 2550 HD11 ILE A 189 -8.017 3.839 -1.997 1.00 0.00 H ATOM 2551 HD12 ILE A 189 -8.491 4.528 -0.424 1.00 0.00 H ATOM 2552 HD13 ILE A 189 -6.782 4.145 -0.750 1.00 0.00 H ATOM 2553 HG21 ILE A 189 -10.905 1.760 -2.143 1.00 0.00 H ATOM 2554 HG22 ILE A 189 -9.959 3.268 -2.150 1.00 0.00 H ATOM 2555 HG23 ILE A 189 -9.216 1.748 -2.705 1.00 0.00 H ATOM 2556 H ILE A 189 -10.227 1.079 2.085 1.00 0.00 H ATOM 2557 N GLN A 190 -12.664 3.040 -0.285 1.00 24.55 N ATOM 2558 CA GLN A 190 -14.058 2.756 -0.624 1.00 24.93 C ATOM 2559 C GLN A 190 -14.147 1.997 -1.942 1.00 27.54 C ATOM 2560 O GLN A 190 -13.245 2.104 -2.775 1.00 29.85 O ATOM 2561 CB GLN A 190 -14.866 4.063 -0.704 1.00 22.16 C ATOM 2562 CG GLN A 190 -14.807 4.886 0.586 1.00 24.33 C ATOM 2563 CD GLN A 190 -15.856 6.004 0.633 1.00 29.24 C ATOM 2564 OE1 GLN A 190 -16.160 6.541 1.698 1.00 31.74 O ATOM 2565 NE2 GLN A 190 -16.412 6.342 -0.517 1.00 28.49 N ATOM 2566 HA GLN A 190 -14.482 2.131 0.162 1.00 0.00 H ATOM 2567 HB2 GLN A 190 -14.469 4.667 -1.520 1.00 0.00 H ATOM 2568 HB3 GLN A 190 -15.907 3.815 -0.910 1.00 0.00 H ATOM 2569 HG2 GLN A 190 -14.972 4.219 1.432 1.00 0.00 H ATOM 2570 HG3 GLN A 190 -13.817 5.335 0.667 1.00 0.00 H ATOM 2571 HE22 GLN A 190 -16.125 5.862 -1.394 1.00 0.00 H ATOM 2572 HE21 GLN A 190 -17.136 7.088 -0.545 1.00 0.00 H ATOM 2573 H GLN A 190 -12.296 4.004 -0.418 1.00 0.00 H ATOM 2574 N PRO A 191 -15.236 1.232 -2.139 1.00 32.28 N ATOM 2575 CA PRO A 191 -15.414 0.468 -3.372 1.00 33.36 C ATOM 2576 C PRO A 191 -15.001 1.272 -4.597 1.00 31.80 C ATOM 2577 O PRO A 191 -15.483 2.388 -4.798 1.00 29.94 O ATOM 2578 CB PRO A 191 -16.922 0.188 -3.388 1.00 36.41 C ATOM 2579 CG PRO A 191 -17.266 0.059 -1.952 1.00 37.09 C ATOM 2580 CD PRO A 191 -16.425 1.133 -1.267 1.00 36.02 C ATOM 2581 HA PRO A 191 -14.802 -0.433 -3.402 1.00 0.00 H ATOM 2582 HD3 PRO A 191 -16.960 2.082 -1.224 1.00 0.00 H ATOM 2583 HD2 PRO A 191 -16.147 0.829 -0.258 1.00 0.00 H ATOM 2584 HG3 PRO A 191 -17.006 -0.932 -1.579 1.00 0.00 H ATOM 2585 HG2 PRO A 191 -18.329 0.239 -1.791 1.00 0.00 H ATOM 2586 HB2 PRO A 191 -17.467 1.013 -3.847 1.00 0.00 H ATOM 2587 HB3 PRO A 191 -17.142 -0.734 -3.926 1.00 0.00 H ATOM 2588 N LEU A 192 -14.100 0.703 -5.394 1.00 28.41 N ATOM 2589 CA LEU A 192 -13.614 1.346 -6.603 1.00 27.90 C ATOM 2590 C LEU A 192 -14.736 1.564 -7.602 1.00 30.77 C ATOM 2591 O LEU A 192 -15.371 0.616 -8.065 1.00 31.14 O ATOM 2592 CB LEU A 192 -12.515 0.506 -7.266 1.00 26.88 C ATOM 2593 CG LEU A 192 -11.677 1.259 -8.295 1.00 25.90 C ATOM 2594 CD1 LEU A 192 -10.728 2.229 -7.574 1.00 24.95 C ATOM 2595 CD2 LEU A 192 -10.877 0.282 -9.149 1.00 25.87 C ATOM 2596 HA LEU A 192 -13.206 2.313 -6.308 1.00 0.00 H ATOM 2597 HB2 LEU A 192 -11.848 0.140 -6.485 1.00 0.00 H ATOM 2598 HB3 LEU A 192 -12.987 -0.340 -7.765 1.00 0.00 H ATOM 2599 HG LEU A 192 -12.342 1.823 -8.949 1.00 0.00 H ATOM 2600 HD21 LEU A 192 -10.214 -0.300 -8.509 1.00 0.00 H ATOM 2601 HD22 LEU A 192 -11.561 -0.388 -9.670 1.00 0.00 H ATOM 2602 HD23 LEU A 192 -10.286 0.838 -9.877 1.00 0.00 H ATOM 2603 HD11 LEU A 192 -11.312 2.940 -6.990 1.00 0.00 H ATOM 2604 HD12 LEU A 192 -10.070 1.667 -6.911 1.00 0.00 H ATOM 2605 HD13 LEU A 192 -10.130 2.766 -8.311 1.00 0.00 H ATOM 2606 H LEU A 192 -13.730 -0.236 -5.142 1.00 0.00 H ATOM 2607 N LYS A 193 -14.962 2.830 -7.932 1.00 32.29 N ATOM 2608 CA LYS A 193 -15.872 3.204 -8.994 1.00 38.72 C ATOM 2609 C LYS A 193 -15.348 2.643 -10.313 1.00 38.56 C ATOM 2610 O LYS A 193 -14.166 2.776 -10.641 1.00 33.25 O ATOM 2611 CB LYS A 193 -15.984 4.734 -9.058 1.00 41.03 C ATOM 2612 CG LYS A 193 -16.952 5.263 -10.092 1.00 46.83 C ATOM 2613 CD LYS A 193 -17.217 6.752 -9.883 1.00 48.64 C ATOM 2614 CE LYS A 193 -18.379 7.226 -10.746 1.00 52.26 C ATOM 2615 NZ LYS A 193 -18.764 8.642 -10.449 1.00 53.31 N ATOM 2616 HA LYS A 193 -16.864 2.795 -8.804 1.00 0.00 H ATOM 2617 HB2 LYS A 193 -16.306 5.091 -8.080 1.00 0.00 H ATOM 2618 HB3 LYS A 193 -14.996 5.136 -9.283 1.00 0.00 H ATOM 2619 HG2 LYS A 193 -16.530 5.112 -11.086 1.00 0.00 H ATOM 2620 HG3 LYS A 193 -17.893 4.719 -10.011 1.00 0.00 H ATOM 2621 HD2 LYS A 193 -17.456 6.928 -8.834 1.00 0.00 H ATOM 2622 HD3 LYS A 193 -16.322 7.314 -10.149 1.00 0.00 H ATOM 2623 HE2 LYS A 193 -19.239 6.582 -10.562 1.00 0.00 H ATOM 2624 HE3 LYS A 193 -18.090 7.153 -11.795 1.00 0.00 H ATOM 2625 HZ1 LYS A 193 -19.049 8.721 -9.452 1.00 0.00 H ATOM 2626 HZ2 LYS A 193 -17.952 9.266 -10.629 1.00 0.00 H ATOM 2627 HZ3 LYS A 193 -19.558 8.920 -11.060 1.00 0.00 H ATOM 2628 H LYS A 193 -14.467 3.580 -7.409 1.00 0.00 H ATOM 2629 N ALA A 194 -16.233 1.992 -11.054 1.00 40.96 N ATOM 2630 CA ALA A 194 -15.922 1.533 -12.395 1.00 42.15 C ATOM 2631 C ALA A 194 -15.489 2.719 -13.244 1.00 42.00 C ATOM 2632 O ALA A 194 -16.011 3.827 -13.101 1.00 42.44 O ATOM 2633 CB ALA A 194 -17.140 0.855 -13.015 1.00 45.01 C ATOM 2634 HA ALA A 194 -15.110 0.807 -12.350 1.00 0.00 H ATOM 2635 HB1 ALA A 194 -17.430 0.001 -12.403 1.00 0.00 H ATOM 2636 HB2 ALA A 194 -17.965 1.566 -13.063 1.00 0.00 H ATOM 2637 HB3 ALA A 194 -16.893 0.516 -14.021 1.00 0.00 H ATOM 2638 H ALA A 194 -17.178 1.805 -10.663 1.00 0.00 H ATOM 2639 N GLY A 195 -14.526 2.482 -14.125 1.00 40.19 N ATOM 2640 CA GLY A 195 -14.032 3.521 -15.006 1.00 39.36 C ATOM 2641 C GLY A 195 -12.959 2.968 -15.924 1.00 40.09 C ATOM 2642 O GLY A 195 -12.752 1.751 -15.997 1.00 42.42 O ATOM 2643 HA3 GLY A 195 -13.612 4.330 -14.408 1.00 0.00 H ATOM 2644 HA2 GLY A 195 -14.856 3.905 -15.607 1.00 0.00 H ATOM 2645 H GLY A 195 -14.116 1.528 -14.185 1.00 0.00 H ATOM 2646 N PHE A 196 -12.268 3.861 -16.623 1.00 38.65 N ATOM 2647 CA PHE A 196 -11.204 3.450 -17.519 1.00 39.65 C ATOM 2648 C PHE A 196 -10.011 4.377 -17.456 1.00 38.70 C ATOM 2649 O PHE A 196 -10.157 5.601 -17.375 1.00 39.16 O ATOM 2650 CB PHE A 196 -11.688 3.377 -18.972 1.00 43.34 C ATOM 2651 CG PHE A 196 -10.580 3.089 -19.952 1.00 42.64 C ATOM 2652 CD1 PHE A 196 -10.226 1.779 -20.251 1.00 43.42 C ATOM 2653 CD2 PHE A 196 -9.870 4.126 -20.545 1.00 42.02 C ATOM 2654 CE1 PHE A 196 -9.198 1.507 -21.137 1.00 44.43 C ATOM 2655 CE2 PHE A 196 -8.839 3.863 -21.427 1.00 43.88 C ATOM 2656 CZ PHE A 196 -8.502 2.551 -21.725 1.00 45.69 C ATOM 2657 HA PHE A 196 -10.900 2.459 -17.182 1.00 0.00 H ATOM 2658 HB2 PHE A 196 -12.434 2.586 -19.050 1.00 0.00 H ATOM 2659 HB3 PHE A 196 -12.144 4.332 -19.234 1.00 0.00 H ATOM 2660 HD2 PHE A 196 -10.129 5.159 -20.312 1.00 0.00 H ATOM 2661 HE2 PHE A 196 -8.292 4.685 -21.888 1.00 0.00 H ATOM 2662 HZ PHE A 196 -7.690 2.341 -22.421 1.00 0.00 H ATOM 2663 HE1 PHE A 196 -8.937 0.475 -21.371 1.00 0.00 H ATOM 2664 HD1 PHE A 196 -10.764 0.955 -19.782 1.00 0.00 H ATOM 2665 H PHE A 196 -12.493 4.872 -16.526 1.00 0.00 H ATOM 2666 N HIS A 197 -8.826 3.781 -17.508 1.00 36.45 N ATOM 2667 CA HIS A 197 -7.593 4.542 -17.558 1.00 38.27 C ATOM 2668 C HIS A 197 -6.713 3.921 -18.627 1.00 40.41 C ATOM 2669 O HIS A 197 -6.614 2.697 -18.711 1.00 40.84 O ATOM 2670 CB HIS A 197 -6.890 4.541 -16.192 1.00 36.21 C ATOM 2671 CG HIS A 197 -5.783 5.545 -16.087 1.00 35.70 C ATOM 2672 ND1 HIS A 197 -4.548 5.355 -16.672 1.00 35.25 N ATOM 2673 CD2 HIS A 197 -5.728 6.753 -15.477 1.00 32.19 C ATOM 2674 CE1 HIS A 197 -3.781 6.402 -16.429 1.00 32.61 C ATOM 2675 NE2 HIS A 197 -4.474 7.265 -15.708 1.00 31.82 N ATOM 2676 HA HIS A 197 -7.801 5.584 -17.802 1.00 0.00 H ATOM 2677 HB2 HIS A 197 -7.630 4.762 -15.423 1.00 0.00 H ATOM 2678 HB3 HIS A 197 -6.473 3.549 -16.019 1.00 0.00 H ATOM 2679 HD2 HIS A 197 -6.528 7.229 -14.910 1.00 0.00 H ATOM 2680 HE1 HIS A 197 -2.752 6.532 -16.766 1.00 0.00 H ATOM 2681 H HIS A 197 -8.781 2.742 -17.513 1.00 0.00 H ATOM 2682 N PRO A 198 -6.089 4.760 -19.466 1.00 43.70 N ATOM 2683 CA PRO A 198 -5.242 4.254 -20.554 1.00 47.91 C ATOM 2684 C PRO A 198 -4.159 3.287 -20.081 1.00 49.77 C ATOM 2685 O PRO A 198 -3.913 2.282 -20.756 1.00 52.22 O ATOM 2686 CB PRO A 198 -4.609 5.528 -21.136 1.00 48.06 C ATOM 2687 CG PRO A 198 -4.915 6.625 -20.154 1.00 45.45 C ATOM 2688 CD PRO A 198 -6.181 6.226 -19.481 1.00 43.68 C ATOM 2689 HA PRO A 198 -5.824 3.677 -21.272 1.00 0.00 H ATOM 2690 HD3 PRO A 198 -6.232 6.628 -18.469 1.00 0.00 H ATOM 2691 HD2 PRO A 198 -7.050 6.560 -20.048 1.00 0.00 H ATOM 2692 HG3 PRO A 198 -5.044 7.575 -20.673 1.00 0.00 H ATOM 2693 HG2 PRO A 198 -4.110 6.717 -19.425 1.00 0.00 H ATOM 2694 HB2 PRO A 198 -3.531 5.402 -21.241 1.00 0.00 H ATOM 2695 HB3 PRO A 198 -5.044 5.757 -22.109 1.00 0.00 H ATOM 2696 N LEU A 199 -3.534 3.571 -18.939 1.00 47.74 N ATOM 2697 CA LEU A 199 -2.380 2.785 -18.486 1.00 45.09 C ATOM 2698 C LEU A 199 -2.722 1.513 -17.706 1.00 43.11 C ATOM 2699 O LEU A 199 -1.954 0.552 -17.708 1.00 45.01 O ATOM 2700 CB LEU A 199 -1.409 3.657 -17.683 1.00 42.88 C ATOM 2701 CG LEU A 199 -0.784 4.803 -18.480 1.00 45.02 C ATOM 2702 CD1 LEU A 199 0.271 5.534 -17.675 1.00 42.61 C ATOM 2703 CD2 LEU A 199 -0.190 4.279 -19.792 1.00 49.79 C ATOM 2704 HA LEU A 199 -1.904 2.439 -19.404 1.00 0.00 H ATOM 2705 HB2 LEU A 199 -1.951 4.084 -16.839 1.00 0.00 H ATOM 2706 HB3 LEU A 199 -0.605 3.021 -17.312 1.00 0.00 H ATOM 2707 HG LEU A 199 -1.575 5.516 -18.710 1.00 0.00 H ATOM 2708 HD21 LEU A 199 0.579 3.539 -19.571 1.00 0.00 H ATOM 2709 HD22 LEU A 199 -0.978 3.819 -20.388 1.00 0.00 H ATOM 2710 HD23 LEU A 199 0.250 5.108 -20.346 1.00 0.00 H ATOM 2711 HD11 LEU A 199 -0.183 5.948 -16.775 1.00 0.00 H ATOM 2712 HD12 LEU A 199 1.062 4.837 -17.397 1.00 0.00 H ATOM 2713 HD13 LEU A 199 0.691 6.341 -18.276 1.00 0.00 H ATOM 2714 H LEU A 199 -3.870 4.365 -18.357 1.00 0.00 H ATOM 2715 N THR A 200 -3.874 1.494 -17.051 1.00 40.16 N ATOM 2716 CA THR A 200 -4.227 0.362 -16.201 1.00 39.05 C ATOM 2717 C THR A 200 -5.461 -0.386 -16.685 1.00 41.41 C ATOM 2718 O THR A 200 -5.859 -1.398 -16.100 1.00 38.87 O ATOM 2719 CB THR A 200 -4.479 0.841 -14.764 1.00 33.65 C ATOM 2720 OG1 THR A 200 -5.549 1.798 -14.775 1.00 31.65 O ATOM 2721 CG2 THR A 200 -3.226 1.493 -14.215 1.00 29.33 C ATOM 2722 HA THR A 200 -3.382 -0.325 -16.242 1.00 0.00 H ATOM 2723 HB THR A 200 -4.745 -0.009 -14.135 1.00 0.00 H ATOM 2724 HG1 THR A 200 -5.718 2.112 -13.852 1.00 0.00 H ATOM 2725 HG23 THR A 200 -2.414 0.766 -14.207 1.00 0.00 H ATOM 2726 HG21 THR A 200 -2.952 2.339 -14.845 1.00 0.00 H ATOM 2727 HG22 THR A 200 -3.414 1.841 -13.199 1.00 0.00 H ATOM 2728 H THR A 200 -4.533 2.294 -17.144 1.00 0.00 H ATOM 2729 N ILE A 201 -6.062 0.129 -17.755 1.00 46.70 N ATOM 2730 CA ILE A 201 -7.330 -0.373 -18.271 1.00 49.66 C ATOM 2731 C ILE A 201 -8.495 -0.056 -17.331 1.00 46.73 C ATOM 2732 O ILE A 201 -9.060 1.037 -17.375 1.00 49.24 O ATOM 2733 CB ILE A 201 -7.301 -1.892 -18.551 1.00 53.76 C ATOM 2734 CG1 ILE A 201 -6.015 -2.292 -19.282 1.00 56.64 C ATOM 2735 CG2 ILE A 201 -8.540 -2.300 -19.345 1.00 56.08 C ATOM 2736 CD1 ILE A 201 -5.977 -1.874 -20.738 1.00 60.82 C ATOM 2737 HA ILE A 201 -7.483 0.146 -19.217 1.00 0.00 H ATOM 2738 HB ILE A 201 -7.312 -2.423 -17.599 1.00 0.00 H ATOM 2739 HG12 ILE A 201 -5.171 -1.829 -18.770 1.00 0.00 H ATOM 2740 HG13 ILE A 201 -5.916 -3.376 -19.234 1.00 0.00 H ATOM 2741 HD11 ILE A 201 -6.807 -2.338 -21.270 1.00 0.00 H ATOM 2742 HD12 ILE A 201 -6.062 -0.789 -20.806 1.00 0.00 H ATOM 2743 HD13 ILE A 201 -5.035 -2.195 -21.182 1.00 0.00 H ATOM 2744 HG21 ILE A 201 -9.434 -2.057 -18.771 1.00 0.00 H ATOM 2745 HG22 ILE A 201 -8.557 -1.760 -20.292 1.00 0.00 H ATOM 2746 HG23 ILE A 201 -8.510 -3.373 -19.537 1.00 0.00 H ATOM 2747 H ILE A 201 -5.607 0.925 -18.245 1.00 0.00 H ATOM 2748 N ASP A 202 -8.856 -1.022 -16.492 1.00 41.39 N ATOM 2749 CA ASP A 202 -10.016 -0.884 -15.620 1.00 40.81 C ATOM 2750 C ASP A 202 -9.680 -1.067 -14.134 1.00 37.36 C ATOM 2751 O ASP A 202 -10.556 -1.386 -13.330 1.00 37.38 O ATOM 2752 CB ASP A 202 -11.098 -1.884 -16.023 1.00 44.81 C ATOM 2753 CG ASP A 202 -10.597 -3.324 -16.032 1.00 49.93 C ATOM 2754 OD1 ASP A 202 -11.347 -4.191 -16.522 1.00 54.19 O ATOM 2755 OD2 ASP A 202 -9.464 -3.593 -15.560 1.00 48.38 O ATOM 2756 HA ASP A 202 -10.376 0.137 -15.745 1.00 0.00 H ATOM 2757 HB2 ASP A 202 -11.925 -1.807 -15.317 1.00 0.00 H ATOM 2758 HB3 ASP A 202 -11.451 -1.631 -17.023 1.00 0.00 H ATOM 2759 H ASP A 202 -8.297 -1.898 -16.457 1.00 0.00 H ATOM 2760 N CYS A 203 -8.417 -0.864 -13.770 1.00 34.34 N ATOM 2761 CA CYS A 203 -8.037 -1.054 -12.377 1.00 32.15 C ATOM 2762 C CYS A 203 -7.259 0.119 -11.789 1.00 28.68 C ATOM 2763 O CYS A 203 -6.875 1.061 -12.490 1.00 27.08 O ATOM 2764 CB CYS A 203 -7.262 -2.365 -12.196 1.00 32.91 C ATOM 2765 SG CYS A 203 -5.576 -2.354 -12.823 1.00 27.94 S ATOM 2766 HA CYS A 203 -8.970 -1.109 -11.817 1.00 0.00 H ATOM 2767 HB2 CYS A 203 -7.809 -3.154 -12.713 1.00 0.00 H ATOM 2768 HB3 CYS A 203 -7.224 -2.590 -11.130 1.00 0.00 H ATOM 2769 HG CYS A 203 -5.592 -2.091 -14.178 1.00 0.00 H ATOM 2770 H CYS A 203 -7.708 -0.573 -14.473 1.00 0.00 H ATOM 2771 N ARG A 204 -7.080 0.063 -10.477 1.00 25.68 N ATOM 2772 CA ARG A 204 -6.215 0.981 -9.771 1.00 23.18 C ATOM 2773 C ARG A 204 -5.138 0.125 -9.125 1.00 22.10 C ATOM 2774 O ARG A 204 -5.421 -0.964 -8.623 1.00 23.01 O ATOM 2775 CB ARG A 204 -6.987 1.725 -8.686 1.00 21.78 C ATOM 2776 CG ARG A 204 -6.086 2.477 -7.720 1.00 18.59 C ATOM 2777 CD ARG A 204 -6.918 3.199 -6.681 1.00 19.04 C ATOM 2778 NE ARG A 204 -6.075 3.975 -5.781 1.00 19.41 N ATOM 2779 CZ ARG A 204 -5.685 3.564 -4.577 1.00 20.95 C ATOM 2780 NH1 ARG A 204 -6.086 2.388 -4.111 1.00 21.46 N ATOM 2781 NH2 ARG A 204 -4.903 4.342 -3.828 1.00 18.02 N ATOM 2782 HA ARG A 204 -5.800 1.726 -10.450 1.00 0.00 H ATOM 2783 HB2 ARG A 204 -7.656 2.440 -9.165 1.00 0.00 H ATOM 2784 HB3 ARG A 204 -7.575 1.002 -8.121 1.00 0.00 H ATOM 2785 HG2 ARG A 204 -5.422 1.770 -7.222 1.00 0.00 H ATOM 2786 HG3 ARG A 204 -5.491 3.204 -8.274 1.00 0.00 H ATOM 2787 HD2 ARG A 204 -7.478 2.466 -6.101 1.00 0.00 H ATOM 2788 HD3 ARG A 204 -7.614 3.870 -7.185 1.00 0.00 H ATOM 2789 HE ARG A 204 -5.757 4.912 -6.101 1.00 0.00 H ATOM 2790 HH12 ARG A 204 -5.779 2.070 -3.170 1.00 0.00 H ATOM 2791 HH11 ARG A 204 -6.707 1.785 -4.687 1.00 0.00 H ATOM 2792 HH22 ARG A 204 -4.598 4.021 -2.887 1.00 0.00 H ATOM 2793 HH21 ARG A 204 -4.598 5.270 -4.185 1.00 0.00 H ATOM 2794 H ARG A 204 -7.581 -0.669 -9.935 1.00 0.00 H ATOM 2795 N TYR A 205 -3.901 0.602 -9.152 1.00 21.64 N ATOM 2796 CA TYR A 205 -2.851 -0.050 -8.394 1.00 22.24 C ATOM 2797 C TYR A 205 -2.444 0.895 -7.299 1.00 21.80 C ATOM 2798 O TYR A 205 -2.528 2.114 -7.457 1.00 20.85 O ATOM 2799 CB TYR A 205 -1.616 -0.379 -9.250 1.00 21.09 C ATOM 2800 CG TYR A 205 -1.845 -1.398 -10.341 1.00 25.10 C ATOM 2801 CD1 TYR A 205 -2.004 -1.006 -11.666 1.00 31.06 C ATOM 2802 CD2 TYR A 205 -1.884 -2.759 -10.051 1.00 28.44 C ATOM 2803 CE1 TYR A 205 -2.204 -1.946 -12.671 1.00 34.81 C ATOM 2804 CE2 TYR A 205 -2.084 -3.704 -11.045 1.00 29.85 C ATOM 2805 CZ TYR A 205 -2.244 -3.294 -12.350 1.00 35.80 C ATOM 2806 OH TYR A 205 -2.447 -4.236 -13.339 1.00 40.06 O ATOM 2807 HA TYR A 205 -3.233 -0.996 -8.011 1.00 0.00 H ATOM 2808 HB3 TYR A 205 -0.839 -0.761 -8.589 1.00 0.00 H ATOM 2809 HB2 TYR A 205 -1.273 0.544 -9.717 1.00 0.00 H ATOM 2810 HD2 TYR A 205 -1.754 -3.089 -9.020 1.00 0.00 H ATOM 2811 HE2 TYR A 205 -2.114 -4.765 -10.796 1.00 0.00 H ATOM 2812 HE1 TYR A 205 -2.329 -1.625 -13.705 1.00 0.00 H ATOM 2813 HD1 TYR A 205 -1.971 0.053 -11.920 1.00 0.00 H ATOM 2814 HH TYR A 205 -1.673 -4.853 -13.370 1.00 0.00 H ATOM 2815 H TYR A 205 -3.683 1.446 -9.719 1.00 0.00 H ATOM 2816 N ASN A 206 -2.027 0.321 -6.179 1.00 19.72 N ATOM 2817 CA ASN A 206 -1.432 1.094 -5.108 1.00 20.18 C ATOM 2818 C ASN A 206 -0.150 0.418 -4.635 1.00 20.31 C ATOM 2819 O ASN A 206 -0.115 -0.804 -4.440 1.00 23.90 O ATOM 2820 CB ASN A 206 -2.421 1.284 -3.954 1.00 18.76 C ATOM 2821 CG ASN A 206 -1.774 1.911 -2.735 1.00 20.34 C ATOM 2822 OD1 ASN A 206 -1.486 1.227 -1.757 1.00 21.52 O ATOM 2823 ND2 ASN A 206 -1.549 3.224 -2.784 1.00 21.29 N ATOM 2824 HA ASN A 206 -1.181 2.086 -5.485 1.00 0.00 H ATOM 2825 HB2 ASN A 206 -3.232 1.929 -4.291 1.00 0.00 H ATOM 2826 HB3 ASN A 206 -2.825 0.311 -3.675 1.00 0.00 H ATOM 2827 HD22 ASN A 206 -1.809 3.765 -3.633 1.00 0.00 H ATOM 2828 HD21 ASN A 206 -1.113 3.708 -1.973 1.00 0.00 H ATOM 2829 H ASN A 206 -2.129 -0.708 -6.067 1.00 0.00 H ATOM 2830 N LEU A 207 0.916 1.209 -4.506 1.00 17.46 N ATOM 2831 CA LEU A 207 2.164 0.743 -3.920 1.00 18.16 C ATOM 2832 C LEU A 207 2.298 1.315 -2.509 1.00 17.20 C ATOM 2833 O LEU A 207 2.149 2.514 -2.310 1.00 16.47 O ATOM 2834 CB LEU A 207 3.364 1.212 -4.764 1.00 18.18 C ATOM 2835 CG LEU A 207 3.285 1.021 -6.288 1.00 17.99 C ATOM 2836 CD1 LEU A 207 4.559 1.551 -6.956 1.00 17.66 C ATOM 2837 CD2 LEU A 207 3.069 -0.446 -6.648 1.00 18.36 C ATOM 2838 HA LEU A 207 2.154 -0.347 -3.890 1.00 0.00 H ATOM 2839 HB2 LEU A 207 3.498 2.277 -4.576 1.00 0.00 H ATOM 2840 HB3 LEU A 207 4.241 0.669 -4.413 1.00 0.00 H ATOM 2841 HG LEU A 207 2.430 1.588 -6.656 1.00 0.00 H ATOM 2842 HD21 LEU A 207 3.899 -1.039 -6.265 1.00 0.00 H ATOM 2843 HD22 LEU A 207 2.137 -0.794 -6.204 1.00 0.00 H ATOM 2844 HD23 LEU A 207 3.017 -0.549 -7.732 1.00 0.00 H ATOM 2845 HD11 LEU A 207 4.669 2.613 -6.735 1.00 0.00 H ATOM 2846 HD12 LEU A 207 5.422 1.007 -6.572 1.00 0.00 H ATOM 2847 HD13 LEU A 207 4.488 1.409 -8.034 1.00 0.00 H ATOM 2848 H LEU A 207 0.853 2.193 -4.836 1.00 0.00 H ATOM 2849 N THR A 208 2.568 0.472 -1.524 1.00 19.66 N ATOM 2850 CA THR A 208 2.934 0.978 -0.196 1.00 18.13 C ATOM 2851 C THR A 208 4.296 0.462 0.202 1.00 19.86 C ATOM 2852 O THR A 208 4.498 -0.742 0.389 1.00 21.58 O ATOM 2853 CB THR A 208 1.894 0.676 0.930 1.00 21.99 C ATOM 2854 OG1 THR A 208 1.436 -0.679 0.838 1.00 21.71 O ATOM 2855 CG2 THR A 208 0.700 1.617 0.852 1.00 24.16 C ATOM 2856 HA THR A 208 2.950 2.063 -0.294 1.00 0.00 H ATOM 2857 HB THR A 208 2.395 0.829 1.886 1.00 0.00 H ATOM 2858 HG1 THR A 208 1.008 -0.822 -0.043 1.00 0.00 H ATOM 2859 HG23 THR A 208 1.046 2.648 0.922 1.00 0.00 H ATOM 2860 HG21 THR A 208 0.184 1.469 -0.097 1.00 0.00 H ATOM 2861 HG22 THR A 208 0.018 1.405 1.675 1.00 0.00 H ATOM 2862 H THR A 208 2.520 -0.553 -1.692 1.00 0.00 H ATOM 2863 N PHE A 209 5.228 1.402 0.327 1.00 20.75 N ATOM 2864 CA PHE A 209 6.608 1.125 0.696 1.00 23.16 C ATOM 2865 C PHE A 209 6.787 1.180 2.199 1.00 25.66 C ATOM 2866 O PHE A 209 6.295 2.112 2.849 1.00 25.39 O ATOM 2867 CB PHE A 209 7.514 2.165 0.047 1.00 22.12 C ATOM 2868 CG PHE A 209 7.509 2.107 -1.441 1.00 21.90 C ATOM 2869 CD1 PHE A 209 6.542 2.777 -2.176 1.00 23.45 C ATOM 2870 CD2 PHE A 209 8.480 1.377 -2.110 1.00 23.78 C ATOM 2871 CE1 PHE A 209 6.536 2.731 -3.570 1.00 21.48 C ATOM 2872 CE2 PHE A 209 8.492 1.319 -3.495 1.00 23.91 C ATOM 2873 CZ PHE A 209 7.518 1.990 -4.224 1.00 22.18 C ATOM 2874 HA PHE A 209 6.868 0.124 0.351 1.00 0.00 H ATOM 2875 HB2 PHE A 209 7.180 3.156 0.356 1.00 0.00 H ATOM 2876 HB3 PHE A 209 8.534 2.002 0.396 1.00 0.00 H ATOM 2877 HD2 PHE A 209 9.241 0.843 -1.541 1.00 0.00 H ATOM 2878 HE2 PHE A 209 9.264 0.748 -4.011 1.00 0.00 H ATOM 2879 HZ PHE A 209 7.522 1.936 -5.313 1.00 0.00 H ATOM 2880 HE1 PHE A 209 5.775 3.266 -4.139 1.00 0.00 H ATOM 2881 HD1 PHE A 209 5.774 3.349 -1.655 1.00 0.00 H ATOM 2882 H PHE A 209 4.956 2.390 0.151 1.00 0.00 H ATOM 2883 N ARG A 210 7.490 0.190 2.746 1.00 26.85 N ATOM 2884 CA ARG A 210 7.636 0.036 4.194 1.00 31.61 C ATOM 2885 C ARG A 210 9.050 -0.347 4.601 1.00 35.46 C ATOM 2886 O ARG A 210 9.751 -1.051 3.869 1.00 35.58 O ATOM 2887 CB ARG A 210 6.682 -1.052 4.712 1.00 32.54 C ATOM 2888 CG ARG A 210 5.225 -0.865 4.277 1.00 33.52 C ATOM 2889 CD ARG A 210 4.662 -2.124 3.626 1.00 35.40 C ATOM 2890 NE ARG A 210 3.294 -1.929 3.144 1.00 37.50 N ATOM 2891 CZ ARG A 210 2.235 -1.820 3.941 1.00 41.19 C ATOM 2892 NH1 ARG A 210 2.385 -1.878 5.257 1.00 44.80 N ATOM 2893 NH2 ARG A 210 1.027 -1.642 3.425 1.00 39.96 N ATOM 2894 HA ARG A 210 7.398 1.006 4.631 1.00 0.00 H ATOM 2895 HB2 ARG A 210 7.029 -2.017 4.342 1.00 0.00 H ATOM 2896 HB3 ARG A 210 6.717 -1.048 5.801 1.00 0.00 H ATOM 2897 HG2 ARG A 210 4.624 -0.621 5.153 1.00 0.00 H ATOM 2898 HG3 ARG A 210 5.173 -0.044 3.562 1.00 0.00 H ATOM 2899 HD2 ARG A 210 4.665 -2.931 4.359 1.00 0.00 H ATOM 2900 HD3 ARG A 210 5.296 -2.398 2.783 1.00 0.00 H ATOM 2901 HE ARG A 210 3.141 -1.872 2.117 1.00 0.00 H ATOM 2902 HH12 ARG A 210 1.556 -1.793 5.879 1.00 0.00 H ATOM 2903 HH11 ARG A 210 3.332 -2.009 5.667 1.00 0.00 H ATOM 2904 HH22 ARG A 210 0.201 -1.557 4.052 1.00 0.00 H ATOM 2905 HH21 ARG A 210 0.905 -1.587 2.394 1.00 0.00 H ATOM 2906 H ARG A 210 7.953 -0.500 2.120 1.00 0.00 H ATOM 2907 N GLN A 211 9.465 0.130 5.771 1.00 38.56 N ATOM 2908 CA GLN A 211 10.609 -0.437 6.464 1.00 41.98 C ATOM 2909 C GLN A 211 10.051 -1.531 7.350 1.00 40.61 C ATOM 2910 O GLN A 211 9.421 -1.257 8.380 1.00 39.45 O ATOM 2911 CB GLN A 211 11.326 0.611 7.307 1.00 48.25 C ATOM 2912 CG GLN A 211 12.206 1.542 6.499 1.00 51.05 C ATOM 2913 CD GLN A 211 13.105 2.411 7.362 1.00 54.56 C ATOM 2914 OE1 GLN A 211 13.752 3.331 6.862 1.00 55.69 O ATOM 2915 NE2 GLN A 211 13.146 2.126 8.662 1.00 56.21 N ATOM 2916 HA GLN A 211 11.344 -0.818 5.755 1.00 0.00 H ATOM 2917 HB2 GLN A 211 10.576 1.209 7.825 1.00 0.00 H ATOM 2918 HB3 GLN A 211 11.949 0.097 8.039 1.00 0.00 H ATOM 2919 HG2 GLN A 211 12.833 0.942 5.839 1.00 0.00 H ATOM 2920 HG3 GLN A 211 11.567 2.191 5.900 1.00 0.00 H ATOM 2921 HE22 GLN A 211 12.582 1.338 9.040 1.00 0.00 H ATOM 2922 HE21 GLN A 211 13.742 2.691 9.300 1.00 0.00 H ATOM 2923 H GLN A 211 8.957 0.930 6.201 1.00 0.00 H ATOM 2924 N ALA A 212 10.257 -2.771 6.926 1.00 39.61 N ATOM 2925 CA ALA A 212 9.652 -3.916 7.590 1.00 43.03 C ATOM 2926 C ALA A 212 10.677 -4.754 8.363 1.00 49.70 C ATOM 2927 O ALA A 212 10.308 -5.547 9.229 1.00 54.17 O ATOM 2928 CB ALA A 212 8.902 -4.775 6.573 1.00 39.10 C ATOM 2929 HA ALA A 212 8.945 -3.532 8.326 1.00 0.00 H ATOM 2930 HB1 ALA A 212 8.120 -4.179 6.102 1.00 0.00 H ATOM 2931 HB2 ALA A 212 9.599 -5.128 5.813 1.00 0.00 H ATOM 2932 HB3 ALA A 212 8.453 -5.629 7.081 1.00 0.00 H ATOM 2933 H ALA A 212 10.866 -2.929 6.098 1.00 0.00 H ATOM 2934 N GLY A 213 11.958 -4.576 8.050 1.00 50.37 N ATOM 2935 CA GLY A 213 13.013 -5.325 8.709 1.00 55.11 C ATOM 2936 C GLY A 213 13.279 -4.834 10.121 1.00 60.18 C ATOM 2937 O GLY A 213 13.087 -3.655 10.422 1.00 61.23 O ATOM 2938 HA3 GLY A 213 13.929 -5.227 8.126 1.00 0.00 H ATOM 2939 HA2 GLY A 213 12.722 -6.375 8.752 1.00 0.00 H ATOM 2940 H GLY A 213 12.210 -3.884 7.316 1.00 0.00 H ATOM 2941 N LYS A 214 13.720 -5.737 10.992 1.00 64.57 N ATOM 2942 CA LYS A 214 13.991 -5.388 12.385 1.00 69.17 C ATOM 2943 C LYS A 214 15.234 -4.512 12.512 1.00 71.53 C ATOM 2944 O LYS A 214 16.155 -4.603 11.700 1.00 71.52 O ATOM 2945 CB LYS A 214 14.148 -6.648 13.239 1.00 71.93 C ATOM 2946 HA LYS A 214 13.136 -4.818 12.749 1.00 0.00 H ATOM 2947 HB2 LYS A 214 13.229 -7.232 13.194 1.00 0.00 H ATOM 2948 HB3 LYS A 214 14.977 -7.243 12.857 1.00 0.00 H ATOM 2949 H LYS A 214 13.876 -6.715 10.674 1.00 0.00 H TER 2950 LYS A 214 HETATM 2951 FE FE A 1 -2.736 0.641 4.983 1.00 34.41 FE HETATM 2952 O HOH 2 -1.632 -1.091 4.035 1.00 26.43 O HETATM 2953 O HOH 3 -2.357 -1.513 1.811 1.00 43.65 O HETATM 2954 O HOH 4 -1.973 2.961 10.179 1.00 32.80 O HETATM 2955 O HOH 5 -11.128 5.399 12.694 1.00 37.54 O HETATM 2956 O HOH 6 -0.419 -1.196 -1.001 1.00 28.25 O HETATM 2957 O HOH 7 -1.573 7.509 -2.989 1.00 40.12 O HETATM 2958 O HOH 8 7.631 1.745 7.210 1.00 25.77 O HETATM 2959 O HOH 9 -5.556 -9.587 -1.159 1.00 29.90 O HETATM 2960 O HOH 10 -9.525 -6.535 -6.909 1.00 37.28 O HETATM 2961 O HOH 11 -5.964 6.214 -7.549 1.00 21.23 O HETATM 2962 O HOH 12 -6.921 8.776 -11.208 1.00 28.43 O HETATM 2963 O HOH 13 -9.547 7.098 -15.106 1.00 47.21 O HETATM 2964 O HOH 14 -12.510 4.943 -10.265 1.00 30.06 O HETATM 2965 O HOH 15 -13.458 5.053 -6.723 1.00 27.24 O HETATM 2966 O HOH 16 -12.969 4.391 -4.034 1.00 25.66 O HETATM 2967 O HOH 17 -5.778 13.857 -5.081 1.00 25.17 O HETATM 2968 O HOH 18 -8.058 14.855 -3.093 1.00 26.08 O HETATM 2969 O HOH 19 -10.213 -6.339 0.102 1.00 45.32 O HETATM 2970 O HOH 20 -10.442 -6.082 2.526 1.00 41.75 O HETATM 2971 O HOH 21 -12.324 -7.955 -7.456 1.00 56.62 O HETATM 2972 O HOH 22 -0.940 -11.635 -11.591 1.00 30.93 O HETATM 2973 O HOH 23 8.413 -15.442 -6.071 1.00 21.74 O HETATM 2974 O HOH 24 12.209 -14.925 -6.937 1.00 40.57 O HETATM 2975 O HOH 25 14.859 -5.827 -3.355 1.00 23.83 O HETATM 2976 O HOH 26 14.313 -4.210 -0.879 1.00 36.22 O HETATM 2977 O HOH 27 11.108 8.703 -9.892 1.00 38.96 O HETATM 2978 O HOH 28 10.666 6.202 -10.837 1.00 39.61 O HETATM 2979 O HOH 29 5.232 13.644 -12.321 1.00 38.83 O HETATM 2980 O HOH 30 7.614 2.057 9.860 1.00 38.20 O HETATM 2981 O HOH 31 -15.229 -14.334 0.436 1.00 43.75 O HETATM 2982 O HOH 32 7.607 -17.497 -10.446 1.00 43.64 O HETATM 2983 O HOH 33 13.513 -10.685 -2.500 1.00 34.73 O HETATM 2984 O HOH 34 7.379 6.511 -17.089 1.00 30.61 O HETATM 2985 O HOH 35 9.475 6.668 -16.078 1.00 45.95 O HETATM 2986 O HOH 36 2.327 14.519 12.812 1.00 47.18 O HETATM 2987 O HOH 37 0.569 18.318 -3.737 1.00 41.85 O HETATM 2988 O HOH 38 -1.968 19.740 -4.128 1.00 43.90 O HETATM 2989 O HOH 39 -3.702 17.085 -9.266 1.00 39.39 O HETATM 2990 O HOH 40 -3.837 12.443 -11.947 1.00 47.80 O HETATM 2991 O HOH 41 -3.835 14.430 -8.692 1.00 28.69 O HETATM 2992 O HOH 42 6.893 10.895 -11.795 1.00 32.97 O HETATM 2993 O HOH 43 1.041 9.007 -16.267 1.00 35.85 O HETATM 2994 O HOH 44 4.161 8.017 -17.259 1.00 42.20 O HETATM 2995 O HOH 45 7.053 4.777 -21.101 1.00 45.45 O HETATM 2996 O HOH 46 4.093 -4.470 -19.537 1.00 42.12 O HETATM 2997 O HOH 47 12.710 -0.357 -12.835 1.00 33.06 O HETATM 2998 O HOH 48 14.527 -2.659 -12.069 1.00 32.31 O HETATM 2999 O HOH 49 12.173 -6.925 -10.004 1.00 35.68 O HETATM 3000 O HOH 50 13.554 -10.369 -9.005 1.00 37.00 O HETATM 3001 O HOH 51 17.565 3.684 -12.060 1.00 54.25 O HETATM 3002 O HOH 52 13.418 5.886 -12.276 1.00 49.66 O HETATM 3003 O HOH 53 9.273 -13.332 -15.344 1.00 47.89 O HETATM 3004 O HOH 54 10.866 -15.059 -8.635 1.00 45.74 O HETATM 3005 O HOH 55 -2.724 -15.986 -7.894 1.00 35.17 O HETATM 3006 O HOH 56 0.060 -14.911 -0.292 1.00 37.77 O HETATM 3007 O HOH 57 -13.409 -6.678 0.394 1.00 58.33 O HETATM 3008 O HOH 58 4.455 -22.485 0.705 1.00 40.31 O HETATM 3009 O HOH 59 14.877 -17.770 -7.836 1.00 47.24 O HETATM 3010 O HOH 60 10.857 19.071 0.958 1.00 42.52 O HETATM 3011 O HOH 61 -12.717 1.070 4.419 1.00 37.35 O HETATM 3012 O HOH 62 -13.543 6.697 -12.121 1.00 38.84 O HETATM 3013 O HOH 63 -12.169 7.974 -13.915 1.00 40.50 O HETATM 3014 O HOH 64 -14.667 7.496 -6.832 1.00 35.24 O HETATM 3015 O HOH 65 -13.938 14.438 4.371 1.00 39.95 O HETATM 3016 O HOH 66 15.931 0.493 0.612 1.00 48.16 O HETATM 3017 O HOH 67 15.259 -8.585 -2.655 1.00 36.92 O HETATM 3018 O HOH 68 -7.002 15.271 -7.273 1.00 47.60 O HETATM 3019 O HOH 69 -10.225 5.155 19.765 1.00 50.81 O HETATM 3020 O HOH 70 11.794 5.507 16.458 1.00 57.86 O HETATM 3021 O HOH 71 -5.311 1.631 -23.289 1.00 41.92 O HETATM 3022 O HOH 72 2.119 -9.723 -15.560 1.00 43.73 O HETATM 3023 O HOH 73 -2.445 -6.886 -13.308 1.00 46.20 O HETATM 3024 O HOH 74 12.650 14.866 -4.052 1.00 44.51 O HETATM 3025 O HOH 75 -2.635 6.986 1.270 1.00 45.66 O HETATM 3026 O HOH 76 6.049 8.106 10.691 1.00 42.02 O HETATM 3027 O HOH 77 -14.234 0.193 2.777 1.00 46.07 O HETATM 3028 O HOH 78 -14.290 -1.349 6.377 1.00 45.51 O HETATM 3029 O HOH 79 -17.569 11.588 8.983 1.00 48.49 O HETATM 3030 O HOH 80 -5.245 18.426 0.088 1.00 49.93 O HETATM 3031 O HOH 81 14.995 -10.472 3.191 1.00 57.04 O HETATM 3032 O HOH 82 -5.986 -3.453 11.471 1.00 49.09 O HETATM 3033 O HOH 83 -0.349 -18.677 2.667 1.00 53.72 O HETATM 3034 O HOH 84 1.435 -3.517 9.052 1.00 60.50 O HETATM 3035 O HOH 85 -8.035 -7.472 -9.283 1.00 39.35 O HETATM 3036 O HOH 86 18.288 -3.033 -9.214 1.00 39.74 O HETATM 3037 C MD A 6 -4.555 2.015 -1.034 1.00 0.11 C HETATM 3038 O MD A 6 -4.346 3.290 -1.302 1.00 -0.55 O HETATM 3039 CA MD A 6 -4.254 1.501 0.352 1.00 0.08 C HETATM 3040 N MD A 6 -3.351 2.333 1.015 1.00 -0.21 N HETATM 3041 C3 MD A 6 -2.992 2.036 2.355 1.00 0.23 C HETATM 3042 O3 MD A 6 -3.466 1.041 2.888 1.00 -0.35 O HETATM 3043 C4 MD A 6 -2.039 2.883 3.084 1.00 0.15 C HETATM 3044 N2 MD A 6 -1.596 2.428 4.261 1.00 -0.29 N HETATM 3045 C5 MD A 6 -0.713 3.139 4.965 1.00 0.01 C HETATM 3046 C6 MD A 6 -0.272 4.359 4.489 1.00 -0.04 C HETATM 3047 C7 MD A 6 -0.740 4.856 3.264 1.00 -0.01 C HETATM 3048 C8 MD A 6 -1.643 4.090 2.544 1.00 0.14 C HETATM 3049 O4 MD A 6 -2.136 4.509 1.348 1.00 -0.32 O HETATM 3050 H MD A 6 -1.755 5.362 1.127 1.00 0.25 H HETATM 3051 H MD A 6 -0.402 5.821 2.887 1.00 0.07 H HETATM 3052 H MD A 6 0.445 4.939 5.070 1.00 0.07 H HETATM 3053 H MD A 6 -0.340 2.757 5.915 1.00 0.07 H HETATM 3054 H MD A 6 -4.686 0.597 0.780 1.00 0.13 H HETATM 3055 OXT MD A 6 -4.961 1.246 -1.895 1.00 -0.55 O CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1704 1702 1703 2951 CONECT 1734 1733 2951 CONECT 2524 2522 2523 2951 CONECT 2951 1704 1734 2524 CONECT 3037 3038 3039 3055 CONECT 3038 3037 CONECT 3039 3037 3040 3054 CONECT 3040 3039 3041 CONECT 3041 3040 3042 3043 CONECT 3042 3041 CONECT 3043 3041 3044 3048 CONECT 3044 3043 3045 CONECT 3045 3044 3046 3053 CONECT 3046 3045 3047 3052 CONECT 3047 3046 3048 3051 CONECT 3048 3043 3047 3049 CONECT 3049 3048 3050 CONECT 3050 3049 CONECT 3051 3047 CONECT 3052 3046 CONECT 3053 3045 CONECT 3054 3039 CONECT 3055 3037 MASTER 0 0 0 0 0 0 0 0 3054 1 27 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3t3y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3khc
RCSB PDB
PDBbind
219aa, >3KHC_1|Chains... *
3t4h
RCSB PDB
PDBbind
206aa, >3T4H_1|Chain... at 99%
3t4v
RCSB PDB
PDBbind
206aa, >3T4V_1|Chain... at 99%
4jht
RCSB PDB
PDBbind
206aa, >4JHT_1|Chain... at 99%
4rfr
RCSB PDB
PDBbind
203aa, >4RFR_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4ie5
RCSB PDB
PDBbind
MD6
Entry Information
PDB ID
3t3y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Alpha-ketoglutarate-dependent dioxygenase AlkB
Ligand Name
MD6
EC.Number
E.C.1.14.11.33
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=3.4uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 2173-2184
Ligand Properties
Formula
C
8
H
6
N
2
O
4
Molecular Weight
194.144
Exact Mass
194.033
No. of atoms
20
No. of bonds
20
Polar Surface Area
99.85
LOGP Value
1.51 (
Computed with XLOGP3
)
0.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
Canonical SMILES
OC(=O)/C=N/C(=O)c1ncccc1O
InChI String
InChI=1S/C8H6N2O4/c11-5-2-1-3-9-7(5)8(14)10-4-6(12)13/h1-4,11H,(H,12,13)/b10-4+
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):
P05050
Entrez Gene ID
NCBI Entrez Gene ID:
946708
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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