Browse entries in the PDBbind-CN Database
HEADER 1FMB_COMPLEX COMPND 1FMB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 VAL THR TYR ASN LEU GLU LYS ARG PRO THR THR ILE VAL SEQRES 2 A 104 LEU ILE ASN ASP THR PRO LEU ASN VAL LEU LEU ASP THR SEQRES 3 A 104 GLY ALA ASP THR SER VAL LEU THR THR ALA HIS TYR ASN SEQRES 4 A 104 ARG LEU LYS TYR ARG GLY ARG LYS TYR GLN GLY THR GLY SEQRES 5 A 104 ILE GLY GLY VAL GLY GLY ASN VAL GLU THR PHE SER THR SEQRES 6 A 104 PRO VAL THR ILE LYS LYS LYS GLY ARG HIS ILE LYS THR SEQRES 7 A 104 ARG MET LEU VAL ALA ASP ILE PRO VAL THR ILE LEU GLY SEQRES 8 A 104 ARG ASP ILE LEU GLN ASP LEU GLY ALA LYS LEU VAL LEU SEQRES 1 B 104 VAL THR TYR ASN LEU GLU LYS ARG PRO THR THR ILE VAL SEQRES 2 B 104 LEU ILE ASN ASP THR PRO LEU ASN VAL LEU LEU ASP THR SEQRES 3 B 104 GLY ALA ASP THR SER VAL LEU THR THR ALA HIS TYR ASN SEQRES 4 B 104 ARG LEU LYS TYR ARG GLY ARG LYS TYR GLN GLY THR GLY SEQRES 5 B 104 ILE GLY GLY VAL GLY GLY ASN VAL GLU THR PHE SER THR SEQRES 6 B 104 PRO VAL THR ILE LYS LYS LYS GLY ARG HIS ILE LYS THR SEQRES 7 B 104 ARG MET LEU VAL ALA ASP ILE PRO VAL THR ILE LEU GLY SEQRES 8 B 104 ARG ASP ILE LEU GLN ASP LEU GLY ALA LYS LEU VAL LEU HET HYB A 463 82 ATOM 1 N VAL A 1 -7.436 -2.343 4.888 1.00 20.32 N ATOM 2 CA VAL A 1 -8.161 -2.019 3.627 1.00 19.47 C ATOM 3 C VAL A 1 -7.161 -1.332 2.694 1.00 16.19 C ATOM 4 O VAL A 1 -6.126 -0.830 3.101 1.00 21.04 O ATOM 5 CB VAL A 1 -9.469 -1.208 3.618 1.00 28.10 C ATOM 6 CG1 VAL A 1 -10.573 -1.791 4.504 1.00 27.34 C ATOM 7 CG2 VAL A 1 -9.175 0.210 4.106 1.00 25.98 C ATOM 8 HA VAL A 1 -8.535 -2.998 3.329 1.00 0.00 H ATOM 9 HB VAL A 1 -9.834 -1.231 2.591 1.00 0.00 H ATOM 10 HG11 VAL A 1 -10.817 -2.797 4.164 1.00 0.00 H ATOM 11 HG12 VAL A 1 -10.226 -1.829 5.537 1.00 0.00 H ATOM 12 HG13 VAL A 1 -11.459 -1.160 4.440 1.00 0.00 H ATOM 13 HG21 VAL A 1 -8.773 0.168 5.118 1.00 0.00 H ATOM 14 HG22 VAL A 1 -8.446 0.677 3.443 1.00 0.00 H ATOM 15 HG23 VAL A 1 -10.096 0.792 4.103 1.00 0.00 H ATOM 16 HN3 VAL A 1 -7.079 -1.465 5.316 1.00 0.00 H ATOM 17 HN2 VAL A 1 -6.639 -2.976 4.675 1.00 0.00 H ATOM 18 HN1 VAL A 1 -8.086 -2.813 5.549 1.00 0.00 H ATOM 19 N THR A 2 -7.538 -1.381 1.442 1.00 16.34 N ATOM 20 CA THR A 2 -6.733 -0.880 0.340 1.00 14.31 C ATOM 21 C THR A 2 -7.412 0.270 -0.361 1.00 16.05 C ATOM 22 O THR A 2 -8.565 0.158 -0.701 1.00 17.09 O ATOM 23 CB THR A 2 -6.547 -2.023 -0.670 1.00 23.54 C ATOM 24 OG1 THR A 2 -5.758 -3.046 0.010 1.00 27.16 O ATOM 25 CG2 THR A 2 -5.704 -1.558 -1.842 1.00 25.56 C ATOM 26 HA THR A 2 -5.779 -0.528 0.733 1.00 0.00 H ATOM 27 HB THR A 2 -7.519 -2.372 -1.019 1.00 0.00 H ATOM 28 HG1 THR A 2 -5.610 -3.809 -0.603 1.00 0.00 H ATOM 29 HG23 THR A 2 -6.244 -0.788 -2.393 1.00 0.00 H ATOM 30 HG21 THR A 2 -4.763 -1.150 -1.472 1.00 0.00 H ATOM 31 HG22 THR A 2 -5.501 -2.403 -2.500 1.00 0.00 H ATOM 32 H THR A 2 -8.464 -1.801 1.223 1.00 0.00 H ATOM 33 N TYR A 3 -6.671 1.355 -0.599 1.00 10.71 N ATOM 34 CA TYR A 3 -7.203 2.506 -1.318 1.00 14.71 C ATOM 35 C TYR A 3 -6.450 2.504 -2.642 1.00 14.90 C ATOM 36 O TYR A 3 -5.220 2.603 -2.644 1.00 13.68 O ATOM 37 CB TYR A 3 -6.788 3.795 -0.600 1.00 11.38 C ATOM 38 CG TYR A 3 -7.456 3.871 0.755 1.00 16.09 C ATOM 39 CD1 TYR A 3 -6.837 3.327 1.857 1.00 15.61 C ATOM 40 CD2 TYR A 3 -8.668 4.566 0.846 1.00 14.55 C ATOM 41 CE1 TYR A 3 -7.481 3.408 3.074 1.00 20.54 C ATOM 42 CE2 TYR A 3 -9.311 4.670 2.073 1.00 16.82 C ATOM 43 CZ TYR A 3 -8.711 4.055 3.150 1.00 17.60 C ATOM 44 OH TYR A 3 -9.284 4.109 4.394 1.00 21.71 O ATOM 45 HA TYR A 3 -8.288 2.458 -1.407 1.00 0.00 H ATOM 46 HB3 TYR A 3 -7.088 4.655 -1.199 1.00 0.00 H ATOM 47 HB2 TYR A 3 -5.706 3.804 -0.470 1.00 0.00 H ATOM 48 HD2 TYR A 3 -9.105 5.023 -0.042 1.00 0.00 H ATOM 49 HE2 TYR A 3 -10.249 5.214 2.179 1.00 0.00 H ATOM 50 HE1 TYR A 3 -7.032 2.971 3.966 1.00 0.00 H ATOM 51 HD1 TYR A 3 -5.863 2.845 1.770 1.00 0.00 H ATOM 52 HH TYR A 3 -10.183 3.696 4.360 1.00 0.00 H ATOM 53 H TYR A 3 -5.687 1.380 -0.262 1.00 0.00 H ATOM 54 N ASN A 4 -7.167 2.413 -3.713 1.00 12.85 N ATOM 55 CA ASN A 4 -6.687 2.338 -5.088 1.00 12.50 C ATOM 56 C ASN A 4 -6.538 3.710 -5.751 1.00 8.85 C ATOM 57 O ASN A 4 -6.198 3.803 -6.943 1.00 13.24 O ATOM 58 CB ASN A 4 -7.556 1.440 -5.969 1.00 14.03 C ATOM 59 CG ASN A 4 -8.991 1.886 -6.272 1.00 20.10 C ATOM 60 OD1 ASN A 4 -9.470 2.995 -5.965 1.00 18.81 O ATOM 61 ND2 ASN A 4 -9.785 1.043 -6.944 1.00 15.27 N ATOM 62 HA ASN A 4 -5.696 1.892 -5.006 1.00 0.00 H ATOM 63 HB2 ASN A 4 -7.043 1.332 -6.925 1.00 0.00 H ATOM 64 HB3 ASN A 4 -7.617 0.468 -5.479 1.00 0.00 H ATOM 65 HD22 ASN A 4 -9.431 0.106 -7.223 1.00 0.00 H ATOM 66 HD21 ASN A 4 -10.756 1.325 -7.187 1.00 0.00 H ATOM 67 H ASN A 4 -8.198 2.391 -3.580 1.00 0.00 H ATOM 68 N LEU A 5 -6.853 4.744 -4.944 1.00 9.01 N ATOM 69 CA LEU A 5 -6.662 6.132 -5.378 1.00 8.40 C ATOM 70 C LEU A 5 -7.511 6.687 -6.475 1.00 10.08 C ATOM 71 O LEU A 5 -7.320 7.827 -6.915 1.00 9.80 O ATOM 72 CB LEU A 5 -5.143 6.442 -5.554 1.00 10.74 C ATOM 73 CG LEU A 5 -4.229 5.900 -4.464 1.00 14.61 C ATOM 74 CD1 LEU A 5 -2.730 5.961 -4.809 1.00 12.84 C ATOM 75 CD2 LEU A 5 -4.499 6.582 -3.144 1.00 10.96 C ATOM 76 HA LEU A 5 -7.077 6.700 -4.546 1.00 0.00 H ATOM 77 HB2 LEU A 5 -4.822 6.015 -6.504 1.00 0.00 H ATOM 78 HB3 LEU A 5 -5.023 7.525 -5.584 1.00 0.00 H ATOM 79 HG LEU A 5 -4.472 4.841 -4.381 1.00 0.00 H ATOM 80 HD21 LEU A 5 -4.324 7.653 -3.247 1.00 0.00 H ATOM 81 HD22 LEU A 5 -5.535 6.408 -2.852 1.00 0.00 H ATOM 82 HD23 LEU A 5 -3.832 6.176 -2.383 1.00 0.00 H ATOM 83 HD11 LEU A 5 -2.541 5.373 -5.707 1.00 0.00 H ATOM 84 HD12 LEU A 5 -2.441 6.997 -4.984 1.00 0.00 H ATOM 85 HD13 LEU A 5 -2.151 5.556 -3.979 1.00 0.00 H ATOM 86 H LEU A 5 -7.238 4.554 -3.997 1.00 0.00 H ATOM 87 N GLU A 6 -8.624 5.999 -6.817 1.00 9.67 N ATOM 88 CA GLU A 6 -9.647 6.534 -7.707 1.00 11.66 C ATOM 89 C GLU A 6 -10.345 7.719 -7.002 1.00 11.08 C ATOM 90 O GLU A 6 -10.805 8.631 -7.689 1.00 15.20 O ATOM 91 CB GLU A 6 -10.787 5.541 -7.903 1.00 11.18 C ATOM 92 CG GLU A 6 -10.274 4.547 -8.962 1.00 17.93 C ATOM 93 CD GLU A 6 -11.193 3.317 -8.829 1.00 30.15 C ATOM 94 OE1 GLU A 6 -11.972 3.341 -7.840 1.00 28.53 O ATOM 95 OE2 GLU A 6 -11.010 2.471 -9.712 1.00 23.51 O ATOM 96 HA GLU A 6 -9.150 6.785 -8.644 1.00 0.00 H ATOM 97 HB2 GLU A 6 -11.010 5.025 -6.969 1.00 0.00 H ATOM 98 HB3 GLU A 6 -11.683 6.051 -8.258 1.00 0.00 H ATOM 99 HG2 GLU A 6 -10.350 4.977 -9.961 1.00 0.00 H ATOM 100 HG3 GLU A 6 -9.237 4.275 -8.763 1.00 0.00 H ATOM 101 H GLU A 6 -8.756 5.044 -6.427 1.00 0.00 H ATOM 102 N LYS A 7 -10.396 7.656 -5.685 1.00 11.15 N ATOM 103 CA LYS A 7 -10.995 8.769 -4.917 1.00 9.81 C ATOM 104 C LYS A 7 -10.008 9.211 -3.860 1.00 9.65 C ATOM 105 O LYS A 7 -8.951 8.556 -3.618 1.00 10.16 O ATOM 106 CB LYS A 7 -12.363 8.351 -4.381 1.00 22.67 C ATOM 107 CG LYS A 7 -13.321 8.355 -5.597 1.00 28.71 C ATOM 108 CD LYS A 7 -14.740 8.436 -5.064 1.00 40.56 C ATOM 109 CE LYS A 7 -15.713 8.832 -6.165 1.00 43.84 C ATOM 110 NZ LYS A 7 -17.102 8.434 -5.746 1.00 52.59 N ATOM 111 HA LYS A 7 -11.187 9.638 -5.546 1.00 0.00 H ATOM 112 HB2 LYS A 7 -12.310 7.354 -3.944 1.00 0.00 H ATOM 113 HB3 LYS A 7 -12.706 9.059 -3.626 1.00 0.00 H ATOM 114 HG2 LYS A 7 -13.112 9.216 -6.232 1.00 0.00 H ATOM 115 HG3 LYS A 7 -13.192 7.440 -6.175 1.00 0.00 H ATOM 116 HD2 LYS A 7 -15.028 7.463 -4.666 1.00 0.00 H ATOM 117 HD3 LYS A 7 -14.780 9.179 -4.268 1.00 0.00 H ATOM 118 HE2 LYS A 7 -15.448 8.321 -7.091 1.00 0.00 H ATOM 119 HE3 LYS A 7 -15.671 9.910 -6.322 1.00 0.00 H ATOM 120 HZ1 LYS A 7 -17.136 7.405 -5.596 1.00 0.00 H ATOM 121 HZ2 LYS A 7 -17.350 8.923 -4.862 1.00 0.00 H ATOM 122 HZ3 LYS A 7 -17.777 8.700 -6.491 1.00 0.00 H ATOM 123 H LYS A 7 -10.016 6.825 -5.188 1.00 0.00 H ATOM 124 N ARG A 8 -10.212 10.404 -3.229 1.00 9.16 N ATOM 125 CA ARG A 8 -9.177 10.746 -2.218 1.00 7.08 C ATOM 126 C ARG A 8 -9.293 9.685 -1.111 1.00 10.18 C ATOM 127 O ARG A 8 -10.447 9.340 -0.763 1.00 10.39 O ATOM 128 CB ARG A 8 -9.587 12.102 -1.616 1.00 9.37 C ATOM 129 CG ARG A 8 -9.606 13.219 -2.666 1.00 9.23 C ATOM 130 CD ARG A 8 -9.762 14.603 -2.031 1.00 12.93 C ATOM 131 NE ARG A 8 -9.826 15.641 -3.044 1.00 12.91 N ATOM 132 CZ ARG A 8 -10.820 16.451 -3.357 1.00 22.80 C ATOM 133 NH1 ARG A 8 -11.978 16.266 -2.690 1.00 20.86 N ATOM 134 NH2 ARG A 8 -10.642 17.383 -4.276 1.00 15.39 N ATOM 135 HA ARG A 8 -8.171 10.784 -2.636 1.00 0.00 H ATOM 136 HB2 ARG A 8 -10.584 12.008 -1.185 1.00 0.00 H ATOM 137 HB3 ARG A 8 -8.877 12.368 -0.833 1.00 0.00 H ATOM 138 HG2 ARG A 8 -8.671 13.192 -3.225 1.00 0.00 H ATOM 139 HG3 ARG A 8 -10.440 13.048 -3.347 1.00 0.00 H ATOM 140 HD2 ARG A 8 -8.909 14.794 -1.379 1.00 0.00 H ATOM 141 HD3 ARG A 8 -10.679 14.623 -1.442 1.00 0.00 H ATOM 142 HE ARG A 8 -8.960 15.765 -3.607 1.00 0.00 H ATOM 143 HH12 ARG A 8 -12.798 16.873 -2.893 1.00 0.00 H ATOM 144 HH11 ARG A 8 -12.051 15.516 -1.973 1.00 0.00 H ATOM 145 HH22 ARG A 8 -11.423 18.023 -4.525 1.00 0.00 H ATOM 146 HH21 ARG A 8 -9.721 17.477 -4.750 1.00 0.00 H ATOM 147 H ARG A 8 -11.023 11.021 -3.438 1.00 0.00 H ATOM 148 N PRO A 9 -8.196 9.256 -0.553 1.00 10.24 N ATOM 149 CA PRO A 9 -8.199 8.215 0.490 1.00 8.90 C ATOM 150 C PRO A 9 -8.530 8.870 1.838 1.00 9.13 C ATOM 151 O PRO A 9 -7.741 9.488 2.572 1.00 11.60 O ATOM 152 CB PRO A 9 -6.757 7.689 0.397 1.00 9.42 C ATOM 153 CG PRO A 9 -5.950 8.815 -0.144 1.00 9.38 C ATOM 154 CD PRO A 9 -6.838 9.666 -1.016 1.00 9.86 C ATOM 155 HA PRO A 9 -8.931 7.415 0.379 1.00 0.00 H ATOM 156 HD3 PRO A 9 -6.663 10.728 -0.845 1.00 0.00 H ATOM 157 HD2 PRO A 9 -6.693 9.440 -2.072 1.00 0.00 H ATOM 158 HG3 PRO A 9 -5.121 8.423 -0.734 1.00 0.00 H ATOM 159 HG2 PRO A 9 -5.558 9.414 0.678 1.00 0.00 H ATOM 160 HB2 PRO A 9 -6.393 7.400 1.383 1.00 0.00 H ATOM 161 HB3 PRO A 9 -6.708 6.830 -0.273 1.00 0.00 H ATOM 162 N THR A 10 -9.819 8.727 2.191 1.00 10.27 N ATOM 163 CA THR A 10 -10.317 9.277 3.445 1.00 11.02 C ATOM 164 C THR A 10 -10.825 8.159 4.374 1.00 12.29 C ATOM 165 O THR A 10 -11.268 7.131 3.861 1.00 12.06 O ATOM 166 CB THR A 10 -11.458 10.297 3.297 1.00 14.20 C ATOM 167 OG1 THR A 10 -12.586 9.787 2.548 1.00 12.34 O ATOM 168 CG2 THR A 10 -10.980 11.520 2.511 1.00 15.63 C ATOM 169 HA THR A 10 -9.455 9.797 3.863 1.00 0.00 H ATOM 170 HB THR A 10 -11.758 10.534 4.318 1.00 0.00 H ATOM 171 HG1 THR A 10 -12.290 9.535 1.638 1.00 0.00 H ATOM 172 HG23 THR A 10 -10.123 11.964 3.018 1.00 0.00 H ATOM 173 HG21 THR A 10 -10.690 11.214 1.506 1.00 0.00 H ATOM 174 HG22 THR A 10 -11.787 12.250 2.451 1.00 0.00 H ATOM 175 H THR A 10 -10.470 8.217 1.560 1.00 0.00 H ATOM 176 N THR A 11 -10.745 8.479 5.677 1.00 10.19 N ATOM 177 CA THR A 11 -11.272 7.479 6.625 1.00 12.21 C ATOM 178 C THR A 11 -11.757 8.229 7.854 1.00 13.59 C ATOM 179 O THR A 11 -11.429 9.411 8.019 1.00 15.23 O ATOM 180 CB THR A 11 -10.256 6.414 7.048 1.00 14.16 C ATOM 181 OG1 THR A 11 -10.983 5.302 7.574 1.00 15.05 O ATOM 182 CG2 THR A 11 -9.254 6.894 8.083 1.00 11.76 C ATOM 183 HA THR A 11 -12.071 6.936 6.121 1.00 0.00 H ATOM 184 HB THR A 11 -9.672 6.148 6.167 1.00 0.00 H ATOM 185 HG1 THR A 11 -11.587 4.944 6.876 1.00 0.00 H ATOM 186 HG23 THR A 11 -8.699 7.742 7.683 1.00 0.00 H ATOM 187 HG21 THR A 11 -9.784 7.198 8.986 1.00 0.00 H ATOM 188 HG22 THR A 11 -8.563 6.085 8.320 1.00 0.00 H ATOM 189 H THR A 11 -10.335 9.379 5.998 1.00 0.00 H ATOM 190 N ILE A 12 -12.592 7.558 8.651 1.00 10.47 N ATOM 191 CA ILE A 12 -13.064 8.156 9.894 1.00 8.76 C ATOM 192 C ILE A 12 -12.158 7.685 11.015 1.00 10.20 C ATOM 193 O ILE A 12 -11.866 6.477 11.198 1.00 9.75 O ATOM 194 CB ILE A 12 -14.544 7.703 10.168 1.00 13.75 C ATOM 195 CG1 ILE A 12 -15.319 8.365 9.024 1.00 15.29 C ATOM 196 CG2 ILE A 12 -14.889 8.148 11.574 1.00 13.13 C ATOM 197 CD1 ILE A 12 -16.780 8.162 8.787 1.00 22.11 C ATOM 198 HA ILE A 12 -13.042 9.244 9.828 1.00 0.00 H ATOM 199 HB ILE A 12 -14.763 6.635 10.160 1.00 0.00 H ATOM 200 HG12 ILE A 12 -15.186 9.439 9.157 1.00 0.00 H ATOM 201 HG13 ILE A 12 -14.822 8.049 8.107 1.00 0.00 H ATOM 202 HD11 ILE A 12 -16.975 7.104 8.611 1.00 0.00 H ATOM 203 HD12 ILE A 12 -17.338 8.495 9.662 1.00 0.00 H ATOM 204 HD13 ILE A 12 -17.089 8.740 7.916 1.00 0.00 H ATOM 205 HG21 ILE A 12 -14.204 7.679 12.281 1.00 0.00 H ATOM 206 HG22 ILE A 12 -14.798 9.232 11.643 1.00 0.00 H ATOM 207 HG23 ILE A 12 -15.912 7.853 11.806 1.00 0.00 H ATOM 208 H ILE A 12 -12.907 6.604 8.384 1.00 0.00 H ATOM 209 N VAL A 13 -11.660 8.600 11.821 1.00 8.69 N ATOM 210 CA VAL A 13 -10.817 8.277 12.981 1.00 11.64 C ATOM 211 C VAL A 13 -11.423 8.967 14.211 1.00 12.40 C ATOM 212 O VAL A 13 -12.136 9.992 14.118 1.00 13.68 O ATOM 213 CB VAL A 13 -9.327 8.666 12.982 1.00 13.62 C ATOM 214 CG1 VAL A 13 -8.548 7.947 11.872 1.00 16.92 C ATOM 215 CG2 VAL A 13 -9.047 10.154 12.849 1.00 9.80 C ATOM 216 HA VAL A 13 -10.816 7.187 12.966 1.00 0.00 H ATOM 217 HB VAL A 13 -8.991 8.352 13.970 1.00 0.00 H ATOM 218 HG11 VAL A 13 -8.621 6.869 12.018 1.00 0.00 H ATOM 219 HG12 VAL A 13 -8.970 8.212 10.903 1.00 0.00 H ATOM 220 HG13 VAL A 13 -7.502 8.250 11.909 1.00 0.00 H ATOM 221 HG21 VAL A 13 -9.463 10.518 11.910 1.00 0.00 H ATOM 222 HG22 VAL A 13 -9.508 10.685 13.682 1.00 0.00 H ATOM 223 HG23 VAL A 13 -7.970 10.322 12.860 1.00 0.00 H ATOM 224 H VAL A 13 -11.874 9.599 11.627 1.00 0.00 H ATOM 225 N LEU A 14 -11.153 8.479 15.429 1.00 12.11 N ATOM 226 CA LEU A 14 -11.675 9.252 16.578 1.00 13.98 C ATOM 227 C LEU A 14 -10.495 10.094 17.084 1.00 9.94 C ATOM 228 O LEU A 14 -9.462 9.526 17.330 1.00 10.27 O ATOM 229 CB LEU A 14 -12.144 8.380 17.785 1.00 18.49 C ATOM 230 CG LEU A 14 -13.449 7.607 17.438 1.00 18.42 C ATOM 231 CD1 LEU A 14 -13.735 6.481 18.423 1.00 22.44 C ATOM 232 CD2 LEU A 14 -14.640 8.549 17.417 1.00 18.50 C ATOM 233 HA LEU A 14 -12.542 9.815 16.233 1.00 0.00 H ATOM 234 HB2 LEU A 14 -11.361 7.664 18.034 1.00 0.00 H ATOM 235 HB3 LEU A 14 -12.329 9.027 18.642 1.00 0.00 H ATOM 236 HG LEU A 14 -13.295 7.171 16.451 1.00 0.00 H ATOM 237 HD21 LEU A 14 -14.753 9.011 18.398 1.00 0.00 H ATOM 238 HD22 LEU A 14 -14.477 9.322 16.666 1.00 0.00 H ATOM 239 HD23 LEU A 14 -15.542 7.987 17.172 1.00 0.00 H ATOM 240 HD11 LEU A 14 -12.908 5.771 18.411 1.00 0.00 H ATOM 241 HD12 LEU A 14 -13.845 6.896 19.425 1.00 0.00 H ATOM 242 HD13 LEU A 14 -14.656 5.974 18.136 1.00 0.00 H ATOM 243 H LEU A 14 -10.606 7.604 15.560 1.00 0.00 H ATOM 244 N ILE A 15 -10.625 11.440 17.157 1.00 11.74 N ATOM 245 CA ILE A 15 -9.554 12.225 17.727 1.00 10.95 C ATOM 246 C ILE A 15 -10.168 12.798 19.006 1.00 11.54 C ATOM 247 O ILE A 15 -11.235 13.463 18.925 1.00 10.97 O ATOM 248 CB ILE A 15 -9.140 13.340 16.745 1.00 13.59 C ATOM 249 CG1 ILE A 15 -8.643 12.603 15.503 1.00 13.47 C ATOM 250 CG2 ILE A 15 -8.091 14.214 17.463 1.00 14.00 C ATOM 251 CD1 ILE A 15 -8.230 13.354 14.241 1.00 19.62 C ATOM 252 HA ILE A 15 -8.649 11.651 17.929 1.00 0.00 H ATOM 253 HB ILE A 15 -9.930 14.025 16.435 1.00 0.00 H ATOM 254 HG12 ILE A 15 -7.773 12.025 15.816 1.00 0.00 H ATOM 255 HG13 ILE A 15 -9.442 11.923 15.208 1.00 0.00 H ATOM 256 HD11 ILE A 15 -9.078 13.927 13.867 1.00 0.00 H ATOM 257 HD12 ILE A 15 -7.407 14.030 14.475 1.00 0.00 H ATOM 258 HD13 ILE A 15 -7.910 12.639 13.483 1.00 0.00 H ATOM 259 HG21 ILE A 15 -8.531 14.640 18.365 1.00 0.00 H ATOM 260 HG22 ILE A 15 -7.231 13.600 17.732 1.00 0.00 H ATOM 261 HG23 ILE A 15 -7.772 15.017 16.798 1.00 0.00 H ATOM 262 H ILE A 15 -11.487 11.904 16.806 1.00 0.00 H ATOM 263 N ASN A 16 -9.600 12.593 20.154 1.00 12.80 N ATOM 264 CA ASN A 16 -10.141 13.091 21.434 1.00 16.30 C ATOM 265 C ASN A 16 -11.648 12.797 21.470 1.00 16.52 C ATOM 266 O ASN A 16 -12.519 13.643 21.675 1.00 14.68 O ATOM 267 CB ASN A 16 -9.932 14.595 21.654 1.00 12.32 C ATOM 268 CG ASN A 16 -8.463 14.928 21.890 1.00 10.23 C ATOM 269 OD1 ASN A 16 -7.637 14.001 21.846 1.00 15.89 O ATOM 270 ND2 ASN A 16 -8.111 16.183 22.177 1.00 11.66 N ATOM 271 HA ASN A 16 -9.598 12.579 22.228 1.00 0.00 H ATOM 272 HB2 ASN A 16 -10.280 15.134 20.773 1.00 0.00 H ATOM 273 HB3 ASN A 16 -10.510 14.910 22.523 1.00 0.00 H ATOM 274 HD22 ASN A 16 -8.832 16.932 22.204 1.00 0.00 H ATOM 275 HD21 ASN A 16 -7.116 16.412 22.373 1.00 0.00 H ATOM 276 H ASN A 16 -8.715 12.048 20.174 1.00 0.00 H ATOM 277 N ASP A 17 -11.988 11.544 21.206 1.00 17.65 N ATOM 278 CA ASP A 17 -13.361 11.056 21.215 1.00 20.34 C ATOM 279 C ASP A 17 -14.369 11.622 20.242 1.00 18.65 C ATOM 280 O ASP A 17 -15.577 11.563 20.446 1.00 19.35 O ATOM 281 CB ASP A 17 -14.062 11.513 22.520 1.00 25.78 C ATOM 282 CG ASP A 17 -13.829 10.445 23.562 1.00 34.46 C ATOM 283 OD1 ASP A 17 -12.817 9.737 23.407 1.00 35.75 O ATOM 284 OD2 ASP A 17 -14.693 10.388 24.465 1.00 47.45 O ATOM 285 HA ASP A 17 -13.175 10.001 21.014 1.00 0.00 H ATOM 286 HB2 ASP A 17 -13.640 12.460 22.857 1.00 0.00 H ATOM 287 HB3 ASP A 17 -15.131 11.635 22.345 1.00 0.00 H ATOM 288 H ASP A 17 -11.230 10.869 20.979 1.00 0.00 H ATOM 289 N THR A 18 -13.929 12.217 19.167 1.00 13.83 N ATOM 290 CA THR A 18 -14.809 12.856 18.208 1.00 13.09 C ATOM 291 C THR A 18 -14.512 12.240 16.853 1.00 15.66 C ATOM 292 O THR A 18 -13.342 12.286 16.457 1.00 14.18 O ATOM 293 CB THR A 18 -14.262 14.306 18.120 1.00 13.73 C ATOM 294 OG1 THR A 18 -14.134 14.829 19.478 1.00 17.17 O ATOM 295 CG2 THR A 18 -15.132 15.205 17.312 1.00 14.96 C ATOM 296 HA THR A 18 -15.864 12.776 18.471 1.00 0.00 H ATOM 297 HB THR A 18 -13.296 14.275 17.615 1.00 0.00 H ATOM 298 HG1 THR A 18 -13.508 14.259 19.992 1.00 0.00 H ATOM 299 HG23 THR A 18 -15.223 14.808 16.301 1.00 0.00 H ATOM 300 HG21 THR A 18 -16.119 15.262 17.771 1.00 0.00 H ATOM 301 HG22 THR A 18 -14.689 16.200 17.275 1.00 0.00 H ATOM 302 H THR A 18 -12.904 12.234 18.991 1.00 0.00 H ATOM 303 N PRO A 19 -15.509 11.670 16.222 1.00 16.96 N ATOM 304 CA PRO A 19 -15.344 11.056 14.892 1.00 14.69 C ATOM 305 C PRO A 19 -15.084 12.146 13.852 1.00 13.55 C ATOM 306 O PRO A 19 -15.849 13.138 13.729 1.00 13.89 O ATOM 307 CB PRO A 19 -16.584 10.183 14.740 1.00 16.29 C ATOM 308 CG PRO A 19 -17.617 10.884 15.584 1.00 19.89 C ATOM 309 CD PRO A 19 -16.882 11.570 16.712 1.00 18.58 C ATOM 310 HA PRO A 19 -14.474 10.415 14.751 1.00 0.00 H ATOM 311 HD3 PRO A 19 -17.299 12.558 16.904 1.00 0.00 H ATOM 312 HD2 PRO A 19 -16.927 10.975 17.624 1.00 0.00 H ATOM 313 HG3 PRO A 19 -18.326 10.160 15.986 1.00 0.00 H ATOM 314 HG2 PRO A 19 -18.152 11.620 14.984 1.00 0.00 H ATOM 315 HB2 PRO A 19 -16.900 10.134 13.698 1.00 0.00 H ATOM 316 HB3 PRO A 19 -16.398 9.175 15.110 1.00 0.00 H ATOM 317 N LEU A 20 -13.934 12.013 13.131 1.00 11.45 N ATOM 318 CA LEU A 20 -13.650 13.054 12.104 1.00 9.55 C ATOM 319 C LEU A 20 -13.226 12.355 10.811 1.00 12.10 C ATOM 320 O LEU A 20 -12.498 11.376 10.929 1.00 14.14 O ATOM 321 CB LEU A 20 -12.396 13.866 12.518 1.00 11.59 C ATOM 322 CG LEU A 20 -12.594 14.846 13.703 1.00 15.87 C ATOM 323 CD1 LEU A 20 -11.318 15.627 14.030 1.00 16.16 C ATOM 324 CD2 LEU A 20 -13.653 15.846 13.313 1.00 14.97 C ATOM 325 HA LEU A 20 -14.536 13.679 11.994 1.00 0.00 H ATOM 326 HB2 LEU A 20 -11.614 13.159 12.794 1.00 0.00 H ATOM 327 HB3 LEU A 20 -12.071 14.445 11.654 1.00 0.00 H ATOM 328 HG LEU A 20 -12.874 14.261 14.579 1.00 0.00 H ATOM 329 HD21 LEU A 20 -13.328 16.390 12.426 1.00 0.00 H ATOM 330 HD22 LEU A 20 -14.585 15.322 13.099 1.00 0.00 H ATOM 331 HD23 LEU A 20 -13.809 16.547 14.133 1.00 0.00 H ATOM 332 HD11 LEU A 20 -10.525 14.929 14.297 1.00 0.00 H ATOM 333 HD12 LEU A 20 -11.015 16.207 13.158 1.00 0.00 H ATOM 334 HD13 LEU A 20 -11.509 16.299 14.867 1.00 0.00 H ATOM 335 H LEU A 20 -13.283 11.218 13.291 1.00 0.00 H ATOM 336 N ASN A 21 -13.556 12.877 9.638 1.00 12.47 N ATOM 337 CA ASN A 21 -13.163 12.315 8.341 1.00 15.57 C ATOM 338 C ASN A 21 -11.806 12.996 8.046 1.00 13.82 C ATOM 339 O ASN A 21 -11.754 14.221 8.192 1.00 17.09 O ATOM 340 CB ASN A 21 -14.055 12.678 7.165 1.00 27.04 C ATOM 341 CG ASN A 21 -14.010 11.669 6.016 1.00 41.42 C ATOM 342 OD1 ASN A 21 -14.385 10.477 6.072 1.00 41.71 O ATOM 343 ND2 ASN A 21 -13.539 12.200 4.880 1.00 48.36 N ATOM 344 HA ASN A 21 -13.186 11.228 8.423 1.00 0.00 H ATOM 345 HB2 ASN A 21 -15.083 12.746 7.522 1.00 0.00 H ATOM 346 HB3 ASN A 21 -13.740 13.649 6.782 1.00 0.00 H ATOM 347 HD22 ASN A 21 -13.233 13.194 4.858 1.00 0.00 H ATOM 348 HD21 ASN A 21 -13.479 11.618 4.020 1.00 0.00 H ATOM 349 H ASN A 21 -14.132 13.743 9.637 1.00 0.00 H ATOM 350 N VAL A 22 -10.811 12.175 7.788 1.00 11.32 N ATOM 351 CA VAL A 22 -9.446 12.683 7.586 1.00 8.25 C ATOM 352 C VAL A 22 -8.822 12.220 6.281 1.00 11.67 C ATOM 353 O VAL A 22 -9.234 11.153 5.848 1.00 9.75 O ATOM 354 CB VAL A 22 -8.502 12.242 8.720 1.00 10.93 C ATOM 355 CG1 VAL A 22 -9.095 12.696 10.061 1.00 8.57 C ATOM 356 CG2 VAL A 22 -8.229 10.783 8.895 1.00 11.20 C ATOM 357 HA VAL A 22 -9.557 13.767 7.569 1.00 0.00 H ATOM 358 HB VAL A 22 -7.557 12.698 8.426 1.00 0.00 H ATOM 359 HG11 VAL A 22 -9.195 13.781 10.064 1.00 0.00 H ATOM 360 HG12 VAL A 22 -10.075 12.239 10.197 1.00 0.00 H ATOM 361 HG13 VAL A 22 -8.434 12.389 10.872 1.00 0.00 H ATOM 362 HG21 VAL A 22 -9.165 10.261 9.093 1.00 0.00 H ATOM 363 HG22 VAL A 22 -7.776 10.388 7.986 1.00 0.00 H ATOM 364 HG23 VAL A 22 -7.548 10.640 9.734 1.00 0.00 H ATOM 365 H VAL A 22 -10.992 11.153 7.726 1.00 0.00 H ATOM 366 N LEU A 23 -7.883 12.951 5.700 1.00 9.00 N ATOM 367 CA LEU A 23 -7.270 12.575 4.440 1.00 7.80 C ATOM 368 C LEU A 23 -6.012 11.807 4.811 1.00 9.25 C ATOM 369 O LEU A 23 -5.265 12.315 5.684 1.00 9.04 O ATOM 370 CB LEU A 23 -6.926 13.854 3.670 1.00 9.04 C ATOM 371 CG LEU A 23 -6.071 13.639 2.409 1.00 11.07 C ATOM 372 CD1 LEU A 23 -6.831 12.844 1.367 1.00 11.91 C ATOM 373 CD2 LEU A 23 -5.674 14.975 1.783 1.00 12.18 C ATOM 374 HA LEU A 23 -7.920 11.967 3.810 1.00 0.00 H ATOM 375 HB2 LEU A 23 -7.859 14.331 3.370 1.00 0.00 H ATOM 376 HB3 LEU A 23 -6.380 14.517 4.341 1.00 0.00 H ATOM 377 HG LEU A 23 -5.180 13.092 2.719 1.00 0.00 H ATOM 378 HD21 LEU A 23 -6.573 15.527 1.507 1.00 0.00 H ATOM 379 HD22 LEU A 23 -5.097 15.555 2.503 1.00 0.00 H ATOM 380 HD23 LEU A 23 -5.070 14.793 0.894 1.00 0.00 H ATOM 381 HD11 LEU A 23 -7.099 11.871 1.779 1.00 0.00 H ATOM 382 HD12 LEU A 23 -7.736 13.384 1.089 1.00 0.00 H ATOM 383 HD13 LEU A 23 -6.203 12.707 0.487 1.00 0.00 H ATOM 384 H LEU A 23 -7.573 13.828 6.165 1.00 0.00 H ATOM 385 N LEU A 24 -5.695 10.663 4.226 1.00 7.36 N ATOM 386 CA LEU A 24 -4.476 9.882 4.491 1.00 6.52 C ATOM 387 C LEU A 24 -3.467 10.365 3.420 1.00 8.82 C ATOM 388 O LEU A 24 -3.629 10.141 2.208 1.00 9.86 O ATOM 389 CB LEU A 24 -4.753 8.395 4.254 1.00 11.46 C ATOM 390 CG LEU A 24 -5.982 7.973 5.123 1.00 13.77 C ATOM 391 CD1 LEU A 24 -6.307 6.503 4.866 1.00 10.62 C ATOM 392 CD2 LEU A 24 -5.618 8.233 6.546 1.00 7.38 C ATOM 393 HA LEU A 24 -4.120 10.010 5.513 1.00 0.00 H ATOM 394 HB2 LEU A 24 -4.972 8.225 3.200 1.00 0.00 H ATOM 395 HB3 LEU A 24 -3.881 7.808 4.541 1.00 0.00 H ATOM 396 HG LEU A 24 -6.878 8.541 4.871 1.00 0.00 H ATOM 397 HD21 LEU A 24 -4.739 7.644 6.808 1.00 0.00 H ATOM 398 HD22 LEU A 24 -5.399 9.293 6.676 1.00 0.00 H ATOM 399 HD23 LEU A 24 -6.451 7.951 7.190 1.00 0.00 H ATOM 400 HD11 LEU A 24 -6.542 6.363 3.811 1.00 0.00 H ATOM 401 HD12 LEU A 24 -5.446 5.890 5.132 1.00 0.00 H ATOM 402 HD13 LEU A 24 -7.164 6.210 5.473 1.00 0.00 H ATOM 403 H LEU A 24 -6.361 10.285 3.522 1.00 0.00 H ATOM 404 N ASP A 25 -2.496 11.097 3.898 1.00 5.86 N ATOM 405 CA ASP A 25 -1.587 11.814 3.002 1.00 4.80 C ATOM 406 C ASP A 25 -0.105 11.505 3.093 1.00 8.52 C ATOM 407 O ASP A 25 0.619 11.953 3.992 1.00 10.00 O ATOM 408 CB ASP A 25 -1.850 13.315 3.294 1.00 3.40 C ATOM 409 CG ASP A 25 -1.172 14.305 2.343 1.00 12.91 C ATOM 410 OD1 ASP A 25 -0.497 13.815 1.403 1.00 8.15 O ATOM 411 OD2 ASP A 25 -1.288 15.485 2.699 1.00 14.57 O ATOM 412 HA ASP A 25 -1.808 11.490 1.985 1.00 0.00 H ATOM 413 HB2 ASP A 25 -2.926 13.483 3.242 1.00 0.00 H ATOM 414 HB3 ASP A 25 -1.499 13.527 4.304 1.00 0.00 H ATOM 415 H ASP A 25 -2.367 11.171 4.927 1.00 0.00 H ATOM 416 N THR A 26 0.328 10.715 2.098 1.00 7.24 N ATOM 417 CA THR A 26 1.784 10.360 2.087 1.00 7.98 C ATOM 418 C THR A 26 2.676 11.563 1.757 1.00 6.46 C ATOM 419 O THR A 26 3.894 11.397 1.976 1.00 10.35 O ATOM 420 CB THR A 26 2.122 9.238 1.098 1.00 7.09 C ATOM 421 OG1 THR A 26 1.713 9.651 -0.225 1.00 6.74 O ATOM 422 CG2 THR A 26 1.270 8.005 1.403 1.00 7.81 C ATOM 423 HA THR A 26 1.986 10.016 3.101 1.00 0.00 H ATOM 424 HB THR A 26 3.189 9.025 1.170 1.00 0.00 H ATOM 425 HG1 THR A 26 2.196 10.478 -0.475 1.00 0.00 H ATOM 426 HG23 THR A 26 1.521 7.628 2.395 1.00 0.00 H ATOM 427 HG21 THR A 26 0.215 8.277 1.372 1.00 0.00 H ATOM 428 HG22 THR A 26 1.469 7.234 0.659 1.00 0.00 H ATOM 429 H THR A 26 -0.320 10.364 1.365 1.00 0.00 H ATOM 430 N GLY A 27 2.183 12.650 1.192 1.00 5.38 N ATOM 431 CA GLY A 27 2.985 13.826 0.917 1.00 4.78 C ATOM 432 C GLY A 27 3.029 14.790 2.078 1.00 7.49 C ATOM 433 O GLY A 27 3.554 15.878 1.910 1.00 13.66 O ATOM 434 HA3 GLY A 27 2.564 14.340 0.053 1.00 0.00 H ATOM 435 HA2 GLY A 27 4.002 13.508 0.689 1.00 0.00 H ATOM 436 H GLY A 27 1.176 12.663 0.933 1.00 0.00 H ATOM 437 N ALA A 28 2.528 14.506 3.282 1.00 7.42 N ATOM 438 CA ALA A 28 2.537 15.403 4.426 1.00 8.21 C ATOM 439 C ALA A 28 3.501 14.807 5.438 1.00 9.20 C ATOM 440 O ALA A 28 3.381 13.608 5.774 1.00 9.49 O ATOM 441 CB ALA A 28 1.114 15.564 5.008 1.00 8.02 C ATOM 442 HA ALA A 28 2.860 16.405 4.143 1.00 0.00 H ATOM 443 HB1 ALA A 28 0.455 15.975 4.244 1.00 0.00 H ATOM 444 HB2 ALA A 28 0.741 14.591 5.327 1.00 0.00 H ATOM 445 HB3 ALA A 28 1.147 16.240 5.863 1.00 0.00 H ATOM 446 H ALA A 28 2.097 13.569 3.412 1.00 0.00 H ATOM 447 N ASP A 29 4.542 15.588 5.807 1.00 7.94 N ATOM 448 CA ASP A 29 5.485 15.046 6.793 1.00 11.75 C ATOM 449 C ASP A 29 4.900 14.874 8.184 1.00 13.78 C ATOM 450 O ASP A 29 5.334 13.997 8.928 1.00 15.02 O ATOM 451 CB ASP A 29 6.689 15.954 7.019 1.00 10.73 C ATOM 452 CG ASP A 29 7.586 16.090 5.802 1.00 12.55 C ATOM 453 OD1 ASP A 29 7.534 15.302 4.828 1.00 12.31 O ATOM 454 OD2 ASP A 29 8.461 16.999 5.899 1.00 14.31 O ATOM 455 HA ASP A 29 5.753 14.087 6.351 1.00 0.00 H ATOM 456 HB2 ASP A 29 6.327 16.945 7.293 1.00 0.00 H ATOM 457 HB3 ASP A 29 7.280 15.545 7.839 1.00 0.00 H ATOM 458 H ASP A 29 4.670 16.539 5.406 1.00 0.00 H ATOM 459 N THR A 30 3.875 15.693 8.406 1.00 11.25 N ATOM 460 CA THR A 30 3.278 15.701 9.724 1.00 11.95 C ATOM 461 C THR A 30 1.791 15.911 9.580 1.00 10.45 C ATOM 462 O THR A 30 1.220 16.196 8.525 1.00 12.26 O ATOM 463 CB THR A 30 4.012 16.857 10.485 1.00 18.67 C ATOM 464 OG1 THR A 30 3.602 16.746 11.853 1.00 24.09 O ATOM 465 CG2 THR A 30 3.606 18.208 9.931 1.00 21.16 C ATOM 466 HA THR A 30 3.390 14.770 10.280 1.00 0.00 H ATOM 467 HB THR A 30 5.093 16.777 10.375 1.00 0.00 H ATOM 468 HG1 THR A 30 2.619 16.845 11.911 1.00 0.00 H ATOM 469 HG23 THR A 30 3.922 18.283 8.891 1.00 0.00 H ATOM 470 HG21 THR A 30 2.523 18.313 9.991 1.00 0.00 H ATOM 471 HG22 THR A 30 4.082 18.996 10.514 1.00 0.00 H ATOM 472 H THR A 30 3.513 16.311 7.652 1.00 0.00 H ATOM 473 N SER A 31 1.084 15.606 10.641 1.00 10.23 N ATOM 474 CA SER A 31 -0.409 15.642 10.630 1.00 7.21 C ATOM 475 C SER A 31 -0.939 17.005 11.103 1.00 10.36 C ATOM 476 O SER A 31 -0.384 17.571 12.040 1.00 13.06 O ATOM 477 CB SER A 31 -0.800 14.560 11.582 1.00 6.65 C ATOM 478 OG SER A 31 -0.478 13.260 11.088 1.00 9.91 O ATOM 479 HA SER A 31 -0.821 15.497 9.631 1.00 0.00 H ATOM 480 HB2 SER A 31 -1.875 14.614 11.752 1.00 0.00 H ATOM 481 HB3 SER A 31 -0.276 14.716 12.525 1.00 0.00 H ATOM 482 HG SER A 31 0.499 13.198 10.937 1.00 0.00 H ATOM 483 H SER A 31 1.577 15.331 11.515 1.00 0.00 H ATOM 484 N VAL A 32 -2.036 17.452 10.517 1.00 7.62 N ATOM 485 CA VAL A 32 -2.601 18.757 10.834 1.00 8.54 C ATOM 486 C VAL A 32 -4.118 18.705 10.954 1.00 9.34 C ATOM 487 O VAL A 32 -4.862 18.204 10.128 1.00 9.46 O ATOM 488 CB VAL A 32 -2.289 19.696 9.632 1.00 10.23 C ATOM 489 CG1 VAL A 32 -2.675 21.153 10.005 1.00 9.18 C ATOM 490 CG2 VAL A 32 -0.773 19.691 9.375 1.00 16.75 C ATOM 491 HA VAL A 32 -2.177 19.096 11.779 1.00 0.00 H ATOM 492 HB VAL A 32 -2.844 19.353 8.759 1.00 0.00 H ATOM 493 HG11 VAL A 32 -3.739 21.198 10.237 1.00 0.00 H ATOM 494 HG12 VAL A 32 -2.099 21.469 10.875 1.00 0.00 H ATOM 495 HG13 VAL A 32 -2.457 21.812 9.164 1.00 0.00 H ATOM 496 HG21 VAL A 32 -0.254 20.046 10.265 1.00 0.00 H ATOM 497 HG22 VAL A 32 -0.448 18.676 9.144 1.00 0.00 H ATOM 498 HG23 VAL A 32 -0.546 20.347 8.534 1.00 0.00 H ATOM 499 H VAL A 32 -2.510 16.855 9.809 1.00 0.00 H ATOM 500 N LEU A 33 -4.587 19.249 12.051 1.00 11.38 N ATOM 501 CA LEU A 33 -6.052 19.344 12.280 1.00 9.20 C ATOM 502 C LEU A 33 -6.415 20.767 11.818 1.00 13.57 C ATOM 503 O LEU A 33 -5.723 21.774 12.121 1.00 11.09 O ATOM 504 CB LEU A 33 -6.049 19.225 13.787 1.00 16.70 C ATOM 505 CG LEU A 33 -7.255 19.029 14.665 1.00 26.40 C ATOM 506 CD1 LEU A 33 -8.011 17.788 14.165 1.00 23.70 C ATOM 507 CD2 LEU A 33 -6.749 18.904 16.099 1.00 19.54 C ATOM 508 HA LEU A 33 -6.728 18.642 11.792 1.00 0.00 H ATOM 509 HB2 LEU A 33 -5.397 18.379 14.005 1.00 0.00 H ATOM 510 HB3 LEU A 33 -5.582 20.143 14.144 1.00 0.00 H ATOM 511 HG LEU A 33 -7.958 19.861 14.631 1.00 0.00 H ATOM 512 HD21 LEU A 33 -6.076 18.050 16.172 1.00 0.00 H ATOM 513 HD22 LEU A 33 -6.215 19.813 16.375 1.00 0.00 H ATOM 514 HD23 LEU A 33 -7.596 18.760 16.770 1.00 0.00 H ATOM 515 HD11 LEU A 33 -8.319 17.944 13.131 1.00 0.00 H ATOM 516 HD12 LEU A 33 -7.357 16.918 14.223 1.00 0.00 H ATOM 517 HD13 LEU A 33 -8.891 17.625 14.787 1.00 0.00 H ATOM 518 H LEU A 33 -3.928 19.617 12.767 1.00 0.00 H ATOM 519 N THR A 34 -7.567 20.810 11.144 1.00 10.08 N ATOM 520 CA THR A 34 -8.065 22.147 10.744 1.00 11.06 C ATOM 521 C THR A 34 -8.555 22.827 12.022 1.00 13.03 C ATOM 522 O THR A 34 -8.940 22.232 13.036 1.00 9.79 O ATOM 523 CB THR A 34 -9.195 22.110 9.721 1.00 10.53 C ATOM 524 OG1 THR A 34 -10.423 21.557 10.298 1.00 15.54 O ATOM 525 CG2 THR A 34 -8.971 21.270 8.488 1.00 11.01 C ATOM 526 HA THR A 34 -7.253 22.686 10.257 1.00 0.00 H ATOM 527 HB THR A 34 -9.254 23.160 9.435 1.00 0.00 H ATOM 528 HG1 THR A 34 -11.134 21.547 9.610 1.00 0.00 H ATOM 529 HG23 THR A 34 -8.068 21.607 7.980 1.00 0.00 H ATOM 530 HG21 THR A 34 -8.859 20.225 8.777 1.00 0.00 H ATOM 531 HG22 THR A 34 -9.826 21.373 7.819 1.00 0.00 H ATOM 532 H THR A 34 -8.092 19.943 10.910 1.00 0.00 H ATOM 533 N THR A 35 -8.511 24.154 12.094 1.00 9.22 N ATOM 534 CA THR A 35 -9.003 24.861 13.278 1.00 10.22 C ATOM 535 C THR A 35 -10.502 24.595 13.568 1.00 10.41 C ATOM 536 O THR A 35 -10.832 24.571 14.775 1.00 13.92 O ATOM 537 CB THR A 35 -8.864 26.363 12.962 1.00 14.71 C ATOM 538 OG1 THR A 35 -7.486 26.626 12.638 1.00 14.35 O ATOM 539 CG2 THR A 35 -9.339 27.183 14.156 1.00 20.38 C ATOM 540 HA THR A 35 -8.435 24.525 14.146 1.00 0.00 H ATOM 541 HB THR A 35 -9.483 26.646 12.111 1.00 0.00 H ATOM 542 HG1 THR A 35 -7.375 27.588 12.431 1.00 0.00 H ATOM 543 HG23 THR A 35 -10.384 26.950 14.362 1.00 0.00 H ATOM 544 HG21 THR A 35 -8.732 26.938 15.028 1.00 0.00 H ATOM 545 HG22 THR A 35 -9.240 28.244 13.929 1.00 0.00 H ATOM 546 H THR A 35 -8.121 24.698 11.298 1.00 0.00 H ATOM 547 N ALA A 36 -11.335 24.426 12.559 1.00 13.02 N ATOM 548 CA ALA A 36 -12.771 24.174 12.657 1.00 15.74 C ATOM 549 C ALA A 36 -12.907 22.815 13.358 1.00 17.41 C ATOM 550 O ALA A 36 -13.731 22.731 14.264 1.00 13.41 O ATOM 551 CB ALA A 36 -13.515 24.072 11.341 1.00 16.73 C ATOM 552 HA ALA A 36 -13.210 25.024 13.179 1.00 0.00 H ATOM 553 HB1 ALA A 36 -13.406 25.006 10.790 1.00 0.00 H ATOM 554 HB2 ALA A 36 -13.101 23.252 10.754 1.00 0.00 H ATOM 555 HB3 ALA A 36 -14.571 23.884 11.536 1.00 0.00 H ATOM 556 H ALA A 36 -10.931 24.477 11.602 1.00 0.00 H ATOM 557 N HIS A 37 -12.072 21.814 13.026 1.00 14.98 N ATOM 558 CA HIS A 37 -12.133 20.528 13.715 1.00 13.60 C ATOM 559 C HIS A 37 -11.671 20.630 15.168 1.00 14.81 C ATOM 560 O HIS A 37 -12.307 20.020 16.035 1.00 15.30 O ATOM 561 CB HIS A 37 -11.326 19.453 12.974 1.00 6.51 C ATOM 562 CG HIS A 37 -12.083 18.923 11.804 1.00 11.01 C ATOM 563 ND1 HIS A 37 -11.537 18.044 10.884 1.00 16.61 N ATOM 564 CD2 HIS A 37 -13.311 19.234 11.312 1.00 11.64 C ATOM 565 CE1 HIS A 37 -12.432 17.725 9.977 1.00 25.04 C ATOM 566 NE2 HIS A 37 -13.535 18.439 10.198 1.00 17.59 N ATOM 567 HA HIS A 37 -13.182 20.230 13.720 1.00 0.00 H ATOM 568 HB2 HIS A 37 -10.390 19.888 12.625 1.00 0.00 H ATOM 569 HB3 HIS A 37 -11.111 18.633 13.660 1.00 0.00 H ATOM 570 HD2 HIS A 37 -13.997 19.976 11.720 1.00 0.00 H ATOM 571 HE1 HIS A 37 -12.295 16.997 9.177 1.00 0.00 H ATOM 572 H HIS A 37 -11.374 21.958 12.269 1.00 0.00 H ATOM 573 N TYR A 38 -10.626 21.399 15.482 1.00 11.83 N ATOM 574 CA TYR A 38 -10.077 21.594 16.819 1.00 12.13 C ATOM 575 C TYR A 38 -11.180 22.190 17.696 1.00 11.77 C ATOM 576 O TYR A 38 -11.449 21.753 18.830 1.00 12.56 O ATOM 577 CB TYR A 38 -8.795 22.428 16.713 1.00 13.07 C ATOM 578 CG TYR A 38 -8.345 22.896 18.076 1.00 12.66 C ATOM 579 CD1 TYR A 38 -7.542 22.076 18.849 1.00 15.48 C ATOM 580 CD2 TYR A 38 -8.707 24.171 18.530 1.00 16.66 C ATOM 581 CE1 TYR A 38 -7.183 22.487 20.124 1.00 17.00 C ATOM 582 CE2 TYR A 38 -8.328 24.576 19.796 1.00 16.90 C ATOM 583 CZ TYR A 38 -7.555 23.746 20.565 1.00 19.76 C ATOM 584 OH TYR A 38 -7.145 24.085 21.835 1.00 26.38 O ATOM 585 HA TYR A 38 -9.773 20.664 17.299 1.00 0.00 H ATOM 586 HB3 TYR A 38 -8.984 23.296 16.081 1.00 0.00 H ATOM 587 HB2 TYR A 38 -8.009 21.820 16.266 1.00 0.00 H ATOM 588 HD2 TYR A 38 -9.283 24.839 17.890 1.00 0.00 H ATOM 589 HE2 TYR A 38 -8.641 25.547 20.179 1.00 0.00 H ATOM 590 HE1 TYR A 38 -6.612 21.824 20.774 1.00 0.00 H ATOM 591 HD1 TYR A 38 -7.196 21.118 18.460 1.00 0.00 H ATOM 592 HH TYR A 38 -6.600 23.350 22.212 1.00 0.00 H ATOM 593 H TYR A 38 -10.161 21.905 14.702 1.00 0.00 H ATOM 594 N ASN A 39 -11.938 23.128 17.148 1.00 13.76 N ATOM 595 CA ASN A 39 -13.040 23.775 17.868 1.00 17.76 C ATOM 596 C ASN A 39 -14.230 22.879 18.132 1.00 20.92 C ATOM 597 O ASN A 39 -15.071 23.170 18.977 1.00 23.47 O ATOM 598 CB ASN A 39 -13.561 24.986 17.095 1.00 15.84 C ATOM 599 CG ASN A 39 -12.519 26.095 17.097 1.00 20.31 C ATOM 600 OD1 ASN A 39 -12.559 26.954 16.212 1.00 29.70 O ATOM 601 ND2 ASN A 39 -11.594 26.167 18.024 1.00 19.44 N ATOM 602 HA ASN A 39 -12.602 24.056 18.826 1.00 0.00 H ATOM 603 HB2 ASN A 39 -13.775 24.693 16.067 1.00 0.00 H ATOM 604 HB3 ASN A 39 -14.475 25.349 17.566 1.00 0.00 H ATOM 605 HD22 ASN A 39 -11.552 25.448 18.774 1.00 0.00 H ATOM 606 HD21 ASN A 39 -10.902 26.943 18.009 1.00 0.00 H ATOM 607 H ASN A 39 -11.744 23.417 16.168 1.00 0.00 H ATOM 608 N ARG A 40 -14.352 21.778 17.415 1.00 17.09 N ATOM 609 CA ARG A 40 -15.436 20.826 17.565 1.00 18.21 C ATOM 610 C ARG A 40 -15.039 19.621 18.412 1.00 17.36 C ATOM 611 O ARG A 40 -15.916 18.799 18.678 1.00 17.35 O ATOM 612 CB ARG A 40 -15.758 20.231 16.177 1.00 25.76 C ATOM 613 CG ARG A 40 -16.881 20.839 15.366 1.00 36.87 C ATOM 614 CD ARG A 40 -16.810 20.368 13.912 1.00 38.84 C ATOM 615 NE ARG A 40 -17.015 18.941 13.704 1.00 36.12 N ATOM 616 CZ ARG A 40 -17.133 18.361 12.514 1.00 42.43 C ATOM 617 NH1 ARG A 40 -17.113 19.049 11.369 1.00 44.54 N ATOM 618 NH2 ARG A 40 -17.319 17.056 12.398 1.00 42.89 N ATOM 619 HA ARG A 40 -16.264 21.363 18.028 1.00 0.00 H ATOM 620 HB2 ARG A 40 -14.851 20.308 15.577 1.00 0.00 H ATOM 621 HB3 ARG A 40 -16.004 19.180 16.328 1.00 0.00 H ATOM 622 HG2 ARG A 40 -17.837 20.538 15.794 1.00 0.00 H ATOM 623 HG3 ARG A 40 -16.797 21.925 15.396 1.00 0.00 H ATOM 624 HD2 ARG A 40 -15.825 20.626 13.523 1.00 0.00 H ATOM 625 HD3 ARG A 40 -17.574 20.903 13.348 1.00 0.00 H ATOM 626 HE ARG A 40 -17.073 18.333 14.546 1.00 0.00 H ATOM 627 HH12 ARG A 40 -17.209 18.551 10.461 1.00 0.00 H ATOM 628 HH11 ARG A 40 -17.001 20.083 11.385 1.00 0.00 H ATOM 629 HH22 ARG A 40 -17.408 16.625 11.456 1.00 0.00 H ATOM 630 HH21 ARG A 40 -17.376 16.461 13.249 1.00 0.00 H ATOM 631 H ARG A 40 -13.626 21.580 16.698 1.00 0.00 H ATOM 632 N LEU A 41 -13.768 19.463 18.815 1.00 15.18 N ATOM 633 CA LEU A 41 -13.381 18.311 19.605 1.00 15.89 C ATOM 634 C LEU A 41 -14.138 18.300 20.928 1.00 16.49 C ATOM 635 O LEU A 41 -14.331 19.342 21.559 1.00 16.60 O ATOM 636 CB LEU A 41 -11.866 18.339 19.857 1.00 15.23 C ATOM 637 CG LEU A 41 -10.954 18.234 18.627 1.00 15.95 C ATOM 638 CD1 LEU A 41 -9.518 18.228 19.119 1.00 14.92 C ATOM 639 CD2 LEU A 41 -11.140 16.989 17.737 1.00 13.04 C ATOM 640 HA LEU A 41 -13.632 17.403 19.056 1.00 0.00 H ATOM 641 HB2 LEU A 41 -11.633 19.277 20.360 1.00 0.00 H ATOM 642 HB3 LEU A 41 -11.626 17.505 20.517 1.00 0.00 H ATOM 643 HG LEU A 41 -11.219 19.085 17.999 1.00 0.00 H ATOM 644 HD21 LEU A 41 -10.951 16.091 18.326 1.00 0.00 H ATOM 645 HD22 LEU A 41 -12.161 16.966 17.355 1.00 0.00 H ATOM 646 HD23 LEU A 41 -10.439 17.032 16.903 1.00 0.00 H ATOM 647 HD11 LEU A 41 -9.318 19.151 19.663 1.00 0.00 H ATOM 648 HD12 LEU A 41 -9.365 17.375 19.780 1.00 0.00 H ATOM 649 HD13 LEU A 41 -8.843 18.154 18.266 1.00 0.00 H ATOM 650 H LEU A 41 -13.054 20.174 18.558 1.00 0.00 H ATOM 651 N LYS A 42 -14.501 17.129 21.423 1.00 17.73 N ATOM 652 CA LYS A 42 -15.232 17.009 22.715 1.00 18.60 C ATOM 653 C LYS A 42 -14.297 17.428 23.827 1.00 16.41 C ATOM 654 O LYS A 42 -14.757 18.084 24.773 1.00 16.91 O ATOM 655 CB LYS A 42 -15.673 15.527 22.853 1.00 18.38 C ATOM 656 CG LYS A 42 -16.516 15.277 21.602 1.00 35.27 C ATOM 657 CD LYS A 42 -17.553 14.177 21.597 1.00 42.36 C ATOM 658 CE LYS A 42 -18.233 13.945 22.941 1.00 45.24 C ATOM 659 NZ LYS A 42 -17.252 13.583 24.013 1.00 50.76 N ATOM 660 HA LYS A 42 -16.114 17.647 22.761 1.00 0.00 H ATOM 661 HB2 LYS A 42 -14.807 14.865 22.877 1.00 0.00 H ATOM 662 HB3 LYS A 42 -16.266 15.381 23.756 1.00 0.00 H ATOM 663 HG2 LYS A 42 -17.042 16.207 21.386 1.00 0.00 H ATOM 664 HG3 LYS A 42 -15.820 15.058 20.792 1.00 0.00 H ATOM 665 HD2 LYS A 42 -18.320 14.435 20.867 1.00 0.00 H ATOM 666 HD3 LYS A 42 -17.065 13.250 21.297 1.00 0.00 H ATOM 667 HE2 LYS A 42 -18.954 13.134 22.835 1.00 0.00 H ATOM 668 HE3 LYS A 42 -18.754 14.857 23.234 1.00 0.00 H ATOM 669 HZ1 LYS A 42 -16.755 12.710 23.746 1.00 0.00 H ATOM 670 HZ2 LYS A 42 -16.564 14.354 24.126 1.00 0.00 H ATOM 671 HZ3 LYS A 42 -17.759 13.435 24.909 1.00 0.00 H ATOM 672 H LYS A 42 -14.269 16.265 20.894 1.00 0.00 H ATOM 673 N TYR A 43 -12.991 17.155 23.701 1.00 12.08 N ATOM 674 CA TYR A 43 -12.046 17.554 24.717 1.00 14.29 C ATOM 675 C TYR A 43 -10.832 18.158 23.990 1.00 14.79 C ATOM 676 O TYR A 43 -10.604 17.577 22.940 1.00 15.61 O ATOM 677 CB TYR A 43 -11.466 16.367 25.502 1.00 17.12 C ATOM 678 CG TYR A 43 -12.534 15.524 26.147 1.00 22.17 C ATOM 679 CD1 TYR A 43 -13.185 16.083 27.267 1.00 29.56 C ATOM 680 CD2 TYR A 43 -12.889 14.260 25.721 1.00 27.03 C ATOM 681 CE1 TYR A 43 -14.177 15.413 27.961 1.00 30.60 C ATOM 682 CE2 TYR A 43 -13.881 13.577 26.424 1.00 36.95 C ATOM 683 CZ TYR A 43 -14.510 14.146 27.520 1.00 37.87 C ATOM 684 OH TYR A 43 -15.487 13.434 28.175 1.00 44.34 O ATOM 685 HA TYR A 43 -12.570 18.225 25.398 1.00 0.00 H ATOM 686 HB3 TYR A 43 -10.806 16.751 26.280 1.00 0.00 H ATOM 687 HB2 TYR A 43 -10.893 15.742 24.818 1.00 0.00 H ATOM 688 HD2 TYR A 43 -12.406 13.806 24.856 1.00 0.00 H ATOM 689 HE2 TYR A 43 -14.168 12.575 26.105 1.00 0.00 H ATOM 690 HE1 TYR A 43 -14.675 15.865 28.819 1.00 0.00 H ATOM 691 HD1 TYR A 43 -12.896 17.080 27.598 1.00 0.00 H ATOM 692 HH TYR A 43 -15.836 13.972 28.929 1.00 0.00 H ATOM 693 H TYR A 43 -12.653 16.648 22.858 1.00 0.00 H ATOM 694 N ARG A 44 -10.205 19.141 24.576 1.00 13.75 N ATOM 695 CA ARG A 44 -9.010 19.743 23.967 1.00 16.70 C ATOM 696 C ARG A 44 -7.949 19.916 25.044 1.00 15.80 C ATOM 697 O ARG A 44 -8.311 20.261 26.171 1.00 16.21 O ATOM 698 CB ARG A 44 -9.349 21.178 23.501 1.00 19.39 C ATOM 699 CG ARG A 44 -9.868 21.230 22.088 1.00 30.28 C ATOM 700 CD ARG A 44 -10.452 22.615 21.792 1.00 32.69 C ATOM 701 NE ARG A 44 -11.519 22.845 22.762 1.00 35.36 N ATOM 702 CZ ARG A 44 -12.712 22.283 22.571 1.00 42.22 C ATOM 703 NH1 ARG A 44 -12.950 21.823 21.338 1.00 42.02 N ATOM 704 NH2 ARG A 44 -13.582 22.306 23.579 1.00 43.42 N ATOM 705 HA ARG A 44 -8.675 19.110 23.145 1.00 0.00 H ATOM 706 HB2 ARG A 44 -10.109 21.589 24.166 1.00 0.00 H ATOM 707 HB3 ARG A 44 -8.446 21.786 23.563 1.00 0.00 H ATOM 708 HG2 ARG A 44 -9.051 21.028 21.396 1.00 0.00 H ATOM 709 HG3 ARG A 44 -10.645 20.476 21.961 1.00 0.00 H ATOM 710 HD2 ARG A 44 -10.854 22.643 20.779 1.00 0.00 H ATOM 711 HD3 ARG A 44 -9.680 23.377 21.897 1.00 0.00 H ATOM 712 HE ARG A 44 -11.349 23.443 23.596 1.00 0.00 H ATOM 713 HH12 ARG A 44 -13.861 21.372 21.118 1.00 0.00 H ATOM 714 HH11 ARG A 44 -12.224 21.916 20.599 1.00 0.00 H ATOM 715 HH22 ARG A 44 -14.522 21.877 23.464 1.00 0.00 H ATOM 716 HH21 ARG A 44 -13.321 22.753 24.481 1.00 0.00 H ATOM 717 H ARG A 44 -10.555 19.503 25.486 1.00 0.00 H ATOM 718 N GLY A 45 -6.668 19.725 24.735 1.00 16.26 N ATOM 719 CA GLY A 45 -5.591 19.934 25.702 1.00 17.22 C ATOM 720 C GLY A 45 -5.069 21.369 25.367 1.00 17.75 C ATOM 721 O GLY A 45 -5.685 22.044 24.556 1.00 19.74 O ATOM 722 HA3 GLY A 45 -4.802 19.193 25.573 1.00 0.00 H ATOM 723 HA2 GLY A 45 -5.970 19.886 26.723 1.00 0.00 H ATOM 724 H GLY A 45 -6.425 19.416 23.772 1.00 0.00 H ATOM 725 N ARG A 46 -3.954 21.712 25.956 1.00 21.04 N ATOM 726 CA ARG A 46 -3.364 23.019 25.759 1.00 28.43 C ATOM 727 C ARG A 46 -2.921 23.191 24.312 1.00 29.55 C ATOM 728 O ARG A 46 -2.891 22.306 23.457 1.00 27.76 O ATOM 729 CB ARG A 46 -2.282 23.249 26.788 1.00 26.66 C ATOM 730 HA ARG A 46 -4.102 23.804 25.923 1.00 0.00 H ATOM 731 HB2 ARG A 46 -2.715 23.194 27.787 1.00 0.00 H ATOM 732 HB3 ARG A 46 -1.512 22.484 26.681 1.00 0.00 H ATOM 733 H ARG A 46 -3.479 21.030 26.581 1.00 0.00 H ATOM 734 N LYS A 47 -2.628 24.448 24.019 1.00 30.87 N ATOM 735 CA LYS A 47 -2.180 24.870 22.679 1.00 30.71 C ATOM 736 C LYS A 47 -0.743 25.337 22.868 1.00 32.12 C ATOM 737 O LYS A 47 -0.437 26.171 23.744 1.00 34.98 O ATOM 738 CB LYS A 47 -3.247 25.900 22.430 1.00 37.95 C ATOM 739 CG LYS A 47 -3.857 26.470 21.199 1.00 48.30 C ATOM 740 CD LYS A 47 -4.884 27.544 21.525 1.00 54.53 C ATOM 741 CE LYS A 47 -5.288 28.374 20.317 1.00 60.77 C ATOM 742 NZ LYS A 47 -4.360 29.497 19.994 1.00 61.52 N ATOM 743 HA LYS A 47 -2.112 24.184 21.835 1.00 0.00 H ATOM 744 HB2 LYS A 47 -4.106 25.503 22.971 1.00 0.00 H ATOM 745 HB3 LYS A 47 -2.868 26.780 22.949 1.00 0.00 H ATOM 746 HG2 LYS A 47 -3.070 26.908 20.585 1.00 0.00 H ATOM 747 HG3 LYS A 47 -4.346 25.670 20.644 1.00 0.00 H ATOM 748 HD2 LYS A 47 -5.775 27.061 21.927 1.00 0.00 H ATOM 749 HD3 LYS A 47 -4.462 28.210 22.278 1.00 0.00 H ATOM 750 HE2 LYS A 47 -6.276 28.794 20.508 1.00 0.00 H ATOM 751 HE3 LYS A 47 -5.336 27.713 19.451 1.00 0.00 H ATOM 752 HZ1 LYS A 47 -4.310 30.148 20.804 1.00 0.00 H ATOM 753 HZ2 LYS A 47 -3.413 29.116 19.795 1.00 0.00 H ATOM 754 HZ3 LYS A 47 -4.712 30.007 19.159 1.00 0.00 H ATOM 755 H LYS A 47 -2.717 25.168 24.764 1.00 0.00 H ATOM 756 N TYR A 48 0.240 24.815 22.167 1.00 26.20 N ATOM 757 CA TYR A 48 1.650 25.174 22.224 1.00 26.52 C ATOM 758 C TYR A 48 1.963 25.896 20.907 1.00 26.33 C ATOM 759 O TYR A 48 1.556 25.405 19.866 1.00 20.36 O ATOM 760 CB TYR A 48 2.566 23.961 22.286 1.00 28.68 C ATOM 761 CG TYR A 48 2.162 23.185 23.530 1.00 40.93 C ATOM 762 CD1 TYR A 48 2.639 23.651 24.758 1.00 47.62 C ATOM 763 CD2 TYR A 48 1.334 22.075 23.497 1.00 44.16 C ATOM 764 CE1 TYR A 48 2.307 22.990 25.931 1.00 54.39 C ATOM 765 CE2 TYR A 48 1.004 21.415 24.671 1.00 49.90 C ATOM 766 CZ TYR A 48 1.484 21.873 25.884 1.00 55.97 C ATOM 767 OH TYR A 48 1.173 21.240 27.078 1.00 57.06 O ATOM 768 HA TYR A 48 1.819 25.773 23.119 1.00 0.00 H ATOM 769 HB3 TYR A 48 3.607 24.277 22.359 1.00 0.00 H ATOM 770 HB2 TYR A 48 2.436 23.344 21.397 1.00 0.00 H ATOM 771 HD2 TYR A 48 0.940 21.719 22.545 1.00 0.00 H ATOM 772 HE2 TYR A 48 0.365 20.533 24.637 1.00 0.00 H ATOM 773 HE1 TYR A 48 2.691 23.346 26.887 1.00 0.00 H ATOM 774 HD1 TYR A 48 3.274 24.536 24.794 1.00 0.00 H ATOM 775 HH TYR A 48 1.610 21.718 27.827 1.00 0.00 H ATOM 776 H TYR A 48 -0.019 24.062 21.498 1.00 0.00 H ATOM 777 N GLN A 49 2.602 27.056 20.986 1.00 26.10 N ATOM 778 CA GLN A 49 2.879 27.839 19.781 1.00 25.04 C ATOM 779 C GLN A 49 3.780 27.018 18.871 1.00 19.77 C ATOM 780 O GLN A 49 4.651 26.312 19.383 1.00 21.21 O ATOM 781 CB GLN A 49 3.528 29.171 20.177 1.00 37.49 C ATOM 782 CG GLN A 49 3.912 30.119 19.069 1.00 48.68 C ATOM 783 CD GLN A 49 2.864 31.007 18.444 1.00 55.61 C ATOM 784 OE1 GLN A 49 2.719 32.187 18.804 1.00 59.44 O ATOM 785 NE2 GLN A 49 2.141 30.436 17.480 1.00 57.60 N ATOM 786 HA GLN A 49 1.959 28.069 19.243 1.00 0.00 H ATOM 787 HB2 GLN A 49 2.827 29.695 20.826 1.00 0.00 H ATOM 788 HB3 GLN A 49 4.434 28.939 20.736 1.00 0.00 H ATOM 789 HG2 GLN A 49 4.685 30.776 19.469 1.00 0.00 H ATOM 790 HG3 GLN A 49 4.332 29.513 18.266 1.00 0.00 H ATOM 791 HE22 GLN A 49 2.309 29.442 17.223 1.00 0.00 H ATOM 792 HE21 GLN A 49 1.409 30.984 16.985 1.00 0.00 H ATOM 793 H GLN A 49 2.909 27.412 21.913 1.00 0.00 H ATOM 794 N GLY A 50 3.604 27.098 17.556 1.00 18.75 N ATOM 795 CA GLY A 50 4.447 26.292 16.655 1.00 17.52 C ATOM 796 C GLY A 50 5.114 27.229 15.651 1.00 19.43 C ATOM 797 O GLY A 50 4.950 28.441 15.782 1.00 20.62 O ATOM 798 HA3 GLY A 50 3.831 25.565 16.127 1.00 0.00 H ATOM 799 HA2 GLY A 50 5.209 25.769 17.233 1.00 0.00 H ATOM 800 H GLY A 50 2.874 27.727 17.164 1.00 0.00 H ATOM 801 N THR A 51 5.865 26.695 14.706 1.00 17.21 N ATOM 802 CA THR A 51 6.592 27.497 13.706 1.00 21.09 C ATOM 803 C THR A 51 6.256 27.190 12.236 1.00 22.02 C ATOM 804 O THR A 51 7.105 27.256 11.342 1.00 25.19 O ATOM 805 CB THR A 51 8.086 27.145 13.668 1.00 22.32 C ATOM 806 OG1 THR A 51 8.198 25.711 13.485 1.00 23.69 O ATOM 807 CG2 THR A 51 8.733 27.625 14.970 1.00 22.49 C ATOM 808 HA THR A 51 6.321 28.506 14.018 1.00 0.00 H ATOM 809 HB THR A 51 8.606 27.635 12.845 1.00 0.00 H ATOM 810 HG1 THR A 51 7.762 25.453 12.635 1.00 0.00 H ATOM 811 HG23 THR A 51 8.619 28.706 15.054 1.00 0.00 H ATOM 812 HG21 THR A 51 8.246 27.140 15.816 1.00 0.00 H ATOM 813 HG22 THR A 51 9.793 27.370 14.963 1.00 0.00 H ATOM 814 H THR A 51 5.948 25.659 14.665 1.00 0.00 H ATOM 815 N GLY A 52 5.040 26.899 11.931 1.00 14.99 N ATOM 816 CA GLY A 52 4.324 26.688 10.734 1.00 13.07 C ATOM 817 C GLY A 52 4.574 25.518 9.834 1.00 10.93 C ATOM 818 O GLY A 52 5.409 24.677 10.151 1.00 13.04 O ATOM 819 HA3 GLY A 52 4.487 27.577 10.125 1.00 0.00 H ATOM 820 HA2 GLY A 52 3.273 26.631 11.018 1.00 0.00 H ATOM 821 H GLY A 52 4.438 26.794 12.773 1.00 0.00 H ATOM 822 N ILE A 53 3.750 25.485 8.789 1.00 11.12 N ATOM 823 CA ILE A 53 3.960 24.422 7.797 1.00 11.21 C ATOM 824 C ILE A 53 4.062 25.141 6.438 1.00 12.73 C ATOM 825 O ILE A 53 3.542 26.252 6.229 1.00 12.29 O ATOM 826 CB ILE A 53 2.758 23.437 7.796 1.00 10.42 C ATOM 827 CG1 ILE A 53 1.521 24.276 7.637 1.00 10.54 C ATOM 828 CG2 ILE A 53 2.954 22.559 9.025 1.00 13.19 C ATOM 829 CD1 ILE A 53 0.272 23.412 7.679 1.00 18.07 C ATOM 830 HA ILE A 53 4.854 23.837 8.015 1.00 0.00 H ATOM 831 HB ILE A 53 2.666 22.721 6.979 1.00 0.00 H ATOM 832 HG12 ILE A 53 1.478 25.006 8.445 1.00 0.00 H ATOM 833 HG13 ILE A 53 1.563 24.797 6.681 1.00 0.00 H ATOM 834 HD11 ILE A 53 0.309 22.683 6.869 1.00 0.00 H ATOM 835 HD12 ILE A 53 0.223 22.892 8.636 1.00 0.00 H ATOM 836 HD13 ILE A 53 -0.609 24.043 7.562 1.00 0.00 H ATOM 837 HG21 ILE A 53 3.904 22.030 8.945 1.00 0.00 H ATOM 838 HG22 ILE A 53 2.959 23.183 9.919 1.00 0.00 H ATOM 839 HG23 ILE A 53 2.139 21.838 9.088 1.00 0.00 H ATOM 840 H ILE A 53 2.988 26.184 8.679 1.00 0.00 H ATOM 841 N GLY A 54 4.700 24.471 5.463 1.00 12.42 N ATOM 842 CA GLY A 54 4.859 25.034 4.120 1.00 11.80 C ATOM 843 C GLY A 54 4.158 24.080 3.177 1.00 10.12 C ATOM 844 O GLY A 54 4.213 22.866 3.373 1.00 15.17 O ATOM 845 HA3 GLY A 54 5.916 25.110 3.864 1.00 0.00 H ATOM 846 HA2 GLY A 54 4.402 26.022 4.067 1.00 0.00 H ATOM 847 H GLY A 54 5.091 23.529 5.667 1.00 0.00 H ATOM 848 N GLY A 55 3.527 24.664 2.157 1.00 11.16 N ATOM 849 CA GLY A 55 2.853 23.876 1.151 1.00 15.19 C ATOM 850 C GLY A 55 2.864 24.727 -0.120 1.00 19.35 C ATOM 851 O GLY A 55 3.636 25.688 -0.332 1.00 18.04 O ATOM 852 HA3 GLY A 55 1.829 23.664 1.458 1.00 0.00 H ATOM 853 HA2 GLY A 55 3.383 22.938 0.985 1.00 0.00 H ATOM 854 H GLY A 55 3.520 25.701 2.085 1.00 0.00 H ATOM 855 N VAL A 56 1.990 24.265 -1.004 1.00 17.96 N ATOM 856 CA VAL A 56 1.865 24.893 -2.306 1.00 20.27 C ATOM 857 C VAL A 56 1.959 26.407 -2.367 1.00 19.42 C ATOM 858 O VAL A 56 2.858 26.907 -3.061 1.00 21.63 O ATOM 859 CB VAL A 56 0.511 24.368 -2.861 1.00 22.69 C ATOM 860 CG1 VAL A 56 -0.249 25.368 -3.710 1.00 25.18 C ATOM 861 CG2 VAL A 56 0.879 23.117 -3.642 1.00 18.94 C ATOM 862 HA VAL A 56 2.733 24.621 -2.907 1.00 0.00 H ATOM 863 HB VAL A 56 -0.185 24.170 -2.046 1.00 0.00 H ATOM 864 HG11 VAL A 56 -0.471 26.254 -3.115 1.00 0.00 H ATOM 865 HG12 VAL A 56 0.359 25.650 -4.569 1.00 0.00 H ATOM 866 HG13 VAL A 56 -1.180 24.917 -4.054 1.00 0.00 H ATOM 867 HG21 VAL A 56 1.572 23.380 -4.441 1.00 0.00 H ATOM 868 HG22 VAL A 56 1.351 22.398 -2.972 1.00 0.00 H ATOM 869 HG23 VAL A 56 -0.023 22.679 -4.070 1.00 0.00 H ATOM 870 H VAL A 56 1.392 23.449 -0.763 1.00 0.00 H ATOM 871 N GLY A 57 1.074 27.169 -1.737 1.00 23.35 N ATOM 872 CA GLY A 57 1.128 28.619 -1.815 1.00 25.96 C ATOM 873 C GLY A 57 1.903 29.330 -0.715 1.00 27.09 C ATOM 874 O GLY A 57 1.638 30.528 -0.510 1.00 29.87 O ATOM 875 HA3 GLY A 57 0.104 28.991 -1.792 1.00 0.00 H ATOM 876 HA2 GLY A 57 1.587 28.883 -2.768 1.00 0.00 H ATOM 877 H GLY A 57 0.324 26.718 -1.174 1.00 0.00 H ATOM 878 N GLY A 58 2.835 28.700 0.000 1.00 23.86 N ATOM 879 CA GLY A 58 3.524 29.459 1.041 1.00 22.03 C ATOM 880 C GLY A 58 3.449 28.775 2.412 1.00 18.25 C ATOM 881 O GLY A 58 3.151 27.590 2.530 1.00 16.31 O ATOM 882 HA3 GLY A 58 3.066 30.445 1.116 1.00 0.00 H ATOM 883 HA2 GLY A 58 4.572 29.567 0.760 1.00 0.00 H ATOM 884 H GLY A 58 3.064 27.701 -0.177 1.00 0.00 H ATOM 885 N ASN A 59 3.772 29.547 3.444 1.00 13.96 N ATOM 886 CA ASN A 59 3.803 29.087 4.810 1.00 14.92 C ATOM 887 C ASN A 59 2.581 29.591 5.554 1.00 16.15 C ATOM 888 O ASN A 59 2.138 30.692 5.211 1.00 15.36 O ATOM 889 CB ASN A 59 5.031 29.641 5.558 1.00 16.62 C ATOM 890 CG ASN A 59 6.352 29.356 4.862 1.00 21.81 C ATOM 891 OD1 ASN A 59 6.629 28.197 4.598 1.00 23.14 O ATOM 892 ND2 ASN A 59 7.096 30.388 4.501 1.00 27.97 N ATOM 893 HA ASN A 59 3.836 27.998 4.779 1.00 0.00 H ATOM 894 HB2 ASN A 59 4.918 30.721 5.653 1.00 0.00 H ATOM 895 HB3 ASN A 59 5.061 29.192 6.551 1.00 0.00 H ATOM 896 HD22 ASN A 59 6.806 31.353 4.757 1.00 0.00 H ATOM 897 HD21 ASN A 59 7.972 30.234 3.961 1.00 0.00 H ATOM 898 H ASN A 59 4.017 30.540 3.256 1.00 0.00 H ATOM 899 N VAL A 60 2.142 28.753 6.512 1.00 12.75 N ATOM 900 CA VAL A 60 0.962 29.114 7.308 1.00 12.95 C ATOM 901 C VAL A 60 1.309 28.824 8.764 1.00 12.91 C ATOM 902 O VAL A 60 1.972 27.846 9.092 1.00 13.40 O ATOM 903 CB VAL A 60 -0.136 28.212 6.711 1.00 23.20 C ATOM 904 CG1 VAL A 60 -1.105 27.770 7.774 1.00 26.04 C ATOM 905 CG2 VAL A 60 -0.782 28.954 5.543 1.00 22.96 C ATOM 906 HA VAL A 60 0.637 30.154 7.282 1.00 0.00 H ATOM 907 HB VAL A 60 0.286 27.287 6.319 1.00 0.00 H ATOM 908 HG11 VAL A 60 -0.570 27.211 8.541 1.00 0.00 H ATOM 909 HG12 VAL A 60 -1.575 28.645 8.222 1.00 0.00 H ATOM 910 HG13 VAL A 60 -1.869 27.135 7.326 1.00 0.00 H ATOM 911 HG21 VAL A 60 -1.217 29.886 5.903 1.00 0.00 H ATOM 912 HG22 VAL A 60 -0.025 29.172 4.789 1.00 0.00 H ATOM 913 HG23 VAL A 60 -1.563 28.332 5.106 1.00 0.00 H ATOM 914 H VAL A 60 2.636 27.855 6.687 1.00 0.00 H ATOM 915 N GLU A 61 0.882 29.706 9.676 1.00 12.74 N ATOM 916 CA GLU A 61 1.175 29.569 11.090 1.00 12.04 C ATOM 917 C GLU A 61 0.456 28.378 11.716 1.00 9.21 C ATOM 918 O GLU A 61 -0.594 28.007 11.264 1.00 11.71 O ATOM 919 CB GLU A 61 0.714 30.812 11.899 1.00 13.18 C ATOM 920 CG GLU A 61 1.801 31.884 11.726 1.00 28.12 C ATOM 921 CD GLU A 61 1.430 33.266 12.246 1.00 40.03 C ATOM 922 OE1 GLU A 61 0.761 33.371 13.311 1.00 35.62 O ATOM 923 OE2 GLU A 61 1.865 34.230 11.556 1.00 45.87 O ATOM 924 HA GLU A 61 2.256 29.442 11.139 1.00 0.00 H ATOM 925 HB2 GLU A 61 -0.238 31.178 11.515 1.00 0.00 H ATOM 926 HB3 GLU A 61 0.605 30.555 12.953 1.00 0.00 H ATOM 927 HG2 GLU A 61 2.693 31.551 12.257 1.00 0.00 H ATOM 928 HG3 GLU A 61 2.024 31.971 10.663 1.00 0.00 H ATOM 929 H GLU A 61 0.319 30.521 9.359 1.00 0.00 H ATOM 930 N THR A 62 1.087 27.777 12.700 1.00 11.05 N ATOM 931 CA THR A 62 0.422 26.660 13.353 1.00 12.35 C ATOM 932 C THR A 62 0.562 26.726 14.876 1.00 13.93 C ATOM 933 O THR A 62 1.426 27.496 15.334 1.00 12.96 O ATOM 934 CB THR A 62 1.220 25.384 13.004 1.00 10.46 C ATOM 935 OG1 THR A 62 2.635 25.482 13.254 1.00 15.77 O ATOM 936 CG2 THR A 62 0.909 25.047 11.563 1.00 15.52 C ATOM 937 HA THR A 62 -0.622 26.675 13.039 1.00 0.00 H ATOM 938 HB THR A 62 0.908 24.578 13.668 1.00 0.00 H ATOM 939 HG1 THR A 62 3.073 24.629 13.006 1.00 0.00 H ATOM 940 HG23 THR A 62 -0.171 24.985 11.431 1.00 0.00 H ATOM 941 HG21 THR A 62 1.312 25.825 10.914 1.00 0.00 H ATOM 942 HG22 THR A 62 1.363 24.089 11.309 1.00 0.00 H ATOM 943 H THR A 62 2.032 28.090 13.002 1.00 0.00 H ATOM 944 N PHE A 63 -0.262 25.934 15.555 1.00 11.25 N ATOM 945 CA PHE A 63 -0.008 25.758 16.987 1.00 13.33 C ATOM 946 C PHE A 63 -0.065 24.220 17.152 1.00 14.93 C ATOM 947 O PHE A 63 -0.609 23.609 16.229 1.00 15.24 O ATOM 948 CB PHE A 63 -0.916 26.348 17.997 1.00 16.48 C ATOM 949 CG PHE A 63 -2.367 26.120 17.966 1.00 18.19 C ATOM 950 CD1 PHE A 63 -2.932 25.050 18.644 1.00 20.01 C ATOM 951 CD2 PHE A 63 -3.151 27.033 17.289 1.00 24.95 C ATOM 952 CE1 PHE A 63 -4.313 24.923 18.637 1.00 25.07 C ATOM 953 CE2 PHE A 63 -4.536 26.883 17.258 1.00 23.18 C ATOM 954 CZ PHE A 63 -5.102 25.820 17.941 1.00 27.61 C ATOM 955 HA PHE A 63 0.918 26.292 17.199 1.00 0.00 H ATOM 956 HB2 PHE A 63 -0.571 25.987 18.966 1.00 0.00 H ATOM 957 HB3 PHE A 63 -0.775 27.427 17.941 1.00 0.00 H ATOM 958 HD2 PHE A 63 -2.685 27.875 16.777 1.00 0.00 H ATOM 959 HE2 PHE A 63 -5.160 27.587 16.708 1.00 0.00 H ATOM 960 HZ PHE A 63 -6.184 25.689 17.930 1.00 0.00 H ATOM 961 HE1 PHE A 63 -4.782 24.107 19.187 1.00 0.00 H ATOM 962 HD1 PHE A 63 -2.307 24.328 19.169 1.00 0.00 H ATOM 963 H PHE A 63 -1.058 25.457 15.086 1.00 0.00 H ATOM 964 N SER A 64 0.519 23.642 18.164 1.00 10.03 N ATOM 965 CA SER A 64 0.431 22.185 18.339 1.00 12.39 C ATOM 966 C SER A 64 -0.499 21.935 19.545 1.00 13.93 C ATOM 967 O SER A 64 -0.635 22.765 20.455 1.00 14.62 O ATOM 968 CB SER A 64 1.745 21.467 18.412 1.00 18.96 C ATOM 969 OG SER A 64 2.467 21.762 19.551 1.00 27.25 O ATOM 970 HA SER A 64 0.008 21.741 17.438 1.00 0.00 H ATOM 971 HB2 SER A 64 2.341 21.746 17.543 1.00 0.00 H ATOM 972 HB3 SER A 64 1.555 20.394 18.391 1.00 0.00 H ATOM 973 HG SER A 64 2.656 22.733 19.578 1.00 0.00 H ATOM 974 H SER A 64 1.050 24.214 18.851 1.00 0.00 H ATOM 975 N THR A 65 -1.061 20.726 19.588 1.00 12.63 N ATOM 976 CA THR A 65 -1.997 20.377 20.693 1.00 12.53 C ATOM 977 C THR A 65 -1.977 18.887 20.929 1.00 10.66 C ATOM 978 O THR A 65 -1.838 18.129 19.964 1.00 13.67 O ATOM 979 CB THR A 65 -3.394 20.898 20.334 1.00 13.03 C ATOM 980 OG1 THR A 65 -4.253 20.891 21.492 1.00 14.78 O ATOM 981 CG2 THR A 65 -4.160 20.150 19.225 1.00 10.34 C ATOM 982 HA THR A 65 -1.690 20.848 21.627 1.00 0.00 H ATOM 983 HB THR A 65 -3.176 21.895 19.952 1.00 0.00 H ATOM 984 HG1 THR A 65 -3.864 21.472 22.193 1.00 0.00 H ATOM 985 HG23 THR A 65 -3.553 20.125 18.320 1.00 0.00 H ATOM 986 HG21 THR A 65 -4.369 19.132 19.553 1.00 0.00 H ATOM 987 HG22 THR A 65 -5.098 20.667 19.021 1.00 0.00 H ATOM 988 H THR A 65 -0.845 20.026 18.849 1.00 0.00 H ATOM 989 N PRO A 66 -2.083 18.387 22.152 1.00 12.79 N ATOM 990 CA PRO A 66 -2.030 16.963 22.477 1.00 12.82 C ATOM 991 C PRO A 66 -3.350 16.306 22.129 1.00 11.32 C ATOM 992 O PRO A 66 -4.466 16.850 22.283 1.00 12.49 O ATOM 993 CB PRO A 66 -1.653 16.872 23.984 1.00 14.20 C ATOM 994 CG PRO A 66 -1.932 18.239 24.529 1.00 18.16 C ATOM 995 CD PRO A 66 -2.214 19.176 23.385 1.00 13.16 C ATOM 996 HA PRO A 66 -1.283 16.421 21.897 1.00 0.00 H ATOM 997 HD3 PRO A 66 -3.224 19.579 23.469 1.00 0.00 H ATOM 998 HD2 PRO A 66 -1.496 19.996 23.385 1.00 0.00 H ATOM 999 HG3 PRO A 66 -1.066 18.594 25.087 1.00 0.00 H ATOM 1000 HG2 PRO A 66 -2.797 18.199 25.191 1.00 0.00 H ATOM 1001 HB2 PRO A 66 -2.265 16.124 24.489 1.00 0.00 H ATOM 1002 HB3 PRO A 66 -0.600 16.618 24.102 1.00 0.00 H ATOM 1003 N VAL A 67 -3.244 15.117 21.496 1.00 11.67 N ATOM 1004 CA VAL A 67 -4.439 14.421 21.087 1.00 11.45 C ATOM 1005 C VAL A 67 -4.239 12.912 21.327 1.00 12.49 C ATOM 1006 O VAL A 67 -3.159 12.410 21.535 1.00 13.34 O ATOM 1007 CB VAL A 67 -4.860 14.548 19.588 1.00 13.17 C ATOM 1008 CG1 VAL A 67 -5.201 15.973 19.111 1.00 12.69 C ATOM 1009 CG2 VAL A 67 -3.787 13.965 18.655 1.00 12.32 C ATOM 1010 HA VAL A 67 -5.223 14.894 21.679 1.00 0.00 H ATOM 1011 HB VAL A 67 -5.785 13.973 19.535 1.00 0.00 H ATOM 1012 HG11 VAL A 67 -6.033 16.362 19.698 1.00 0.00 H ATOM 1013 HG12 VAL A 67 -4.331 16.616 19.241 1.00 0.00 H ATOM 1014 HG13 VAL A 67 -5.479 15.945 18.058 1.00 0.00 H ATOM 1015 HG21 VAL A 67 -2.850 14.503 18.799 1.00 0.00 H ATOM 1016 HG22 VAL A 67 -3.641 12.910 18.886 1.00 0.00 H ATOM 1017 HG23 VAL A 67 -4.112 14.070 17.620 1.00 0.00 H ATOM 1018 H VAL A 67 -2.308 14.707 21.305 1.00 0.00 H ATOM 1019 N THR A 68 -5.339 12.207 21.447 1.00 12.80 N ATOM 1020 CA THR A 68 -5.436 10.766 21.524 1.00 14.00 C ATOM 1021 C THR A 68 -6.237 10.369 20.262 1.00 11.57 C ATOM 1022 O THR A 68 -7.377 10.766 19.950 1.00 13.09 O ATOM 1023 CB THR A 68 -6.260 10.255 22.721 1.00 16.42 C ATOM 1024 OG1 THR A 68 -5.401 10.590 23.816 1.00 18.85 O ATOM 1025 CG2 THR A 68 -6.231 8.738 22.602 1.00 17.73 C ATOM 1026 HA THR A 68 -4.433 10.351 21.618 1.00 0.00 H ATOM 1027 HB THR A 68 -7.278 10.635 22.801 1.00 0.00 H ATOM 1028 HG1 THR A 68 -5.825 10.307 24.665 1.00 0.00 H ATOM 1029 HG23 THR A 68 -6.873 8.427 21.778 1.00 0.00 H ATOM 1030 HG21 THR A 68 -5.209 8.409 22.413 1.00 0.00 H ATOM 1031 HG22 THR A 68 -6.590 8.295 23.531 1.00 0.00 H ATOM 1032 H THR A 68 -6.232 12.738 21.491 1.00 0.00 H ATOM 1033 N ILE A 69 -5.620 9.491 19.457 1.00 12.20 N ATOM 1034 CA ILE A 69 -6.282 9.034 18.236 1.00 14.60 C ATOM 1035 C ILE A 69 -6.606 7.539 18.384 1.00 13.37 C ATOM 1036 O ILE A 69 -5.713 6.848 18.828 1.00 12.00 O ATOM 1037 CB ILE A 69 -5.397 9.200 16.983 1.00 21.86 C ATOM 1038 CG1 ILE A 69 -5.201 10.716 16.766 1.00 22.04 C ATOM 1039 CG2 ILE A 69 -5.986 8.605 15.714 1.00 20.77 C ATOM 1040 CD1 ILE A 69 -4.225 11.012 15.659 1.00 21.77 C ATOM 1041 HA ILE A 69 -7.178 9.641 18.105 1.00 0.00 H ATOM 1042 HB ILE A 69 -4.467 8.661 17.165 1.00 0.00 H ATOM 1043 HG12 ILE A 69 -6.163 11.162 16.514 1.00 0.00 H ATOM 1044 HG13 ILE A 69 -4.828 11.158 17.690 1.00 0.00 H ATOM 1045 HD11 ILE A 69 -3.256 10.577 15.905 1.00 0.00 H ATOM 1046 HD12 ILE A 69 -4.592 10.581 14.728 1.00 0.00 H ATOM 1047 HD13 ILE A 69 -4.122 12.091 15.546 1.00 0.00 H ATOM 1048 HG21 ILE A 69 -6.142 7.535 15.854 1.00 0.00 H ATOM 1049 HG22 ILE A 69 -6.939 9.087 15.497 1.00 0.00 H ATOM 1050 HG23 ILE A 69 -5.298 8.768 14.885 1.00 0.00 H ATOM 1051 H ILE A 69 -4.673 9.136 19.701 1.00 0.00 H ATOM 1052 N LYS A 70 -7.821 7.161 18.032 1.00 13.99 N ATOM 1053 CA LYS A 70 -8.187 5.754 18.111 1.00 18.26 C ATOM 1054 C LYS A 70 -8.655 5.316 16.721 1.00 15.97 C ATOM 1055 O LYS A 70 -9.457 5.883 15.981 1.00 16.31 O ATOM 1056 CB LYS A 70 -9.134 5.564 19.289 1.00 19.75 C ATOM 1057 HA LYS A 70 -7.364 5.078 18.341 1.00 0.00 H ATOM 1058 HB2 LYS A 70 -8.635 5.870 20.208 1.00 0.00 H ATOM 1059 HB3 LYS A 70 -10.026 6.172 19.138 1.00 0.00 H ATOM 1060 H LYS A 70 -8.512 7.864 17.700 1.00 0.00 H ATOM 1061 N LYS A 71 -8.043 4.224 16.231 1.00 19.46 N ATOM 1062 CA LYS A 71 -8.336 3.636 14.912 1.00 18.63 C ATOM 1063 C LYS A 71 -7.643 2.264 14.843 1.00 23.31 C ATOM 1064 O LYS A 71 -6.550 2.109 15.386 1.00 19.58 O ATOM 1065 CB LYS A 71 -7.719 4.455 13.766 1.00 17.16 C ATOM 1066 CG LYS A 71 -8.002 4.009 12.354 1.00 18.21 C ATOM 1067 CD LYS A 71 -9.453 4.125 11.939 1.00 12.63 C ATOM 1068 CE LYS A 71 -9.720 3.685 10.502 1.00 19.26 C ATOM 1069 NZ LYS A 71 -11.181 3.841 10.222 1.00 12.99 N ATOM 1070 HA LYS A 71 -9.420 3.595 14.804 1.00 0.00 H ATOM 1071 HB2 LYS A 71 -8.083 5.478 13.864 1.00 0.00 H ATOM 1072 HB3 LYS A 71 -6.638 4.441 13.901 1.00 0.00 H ATOM 1073 HG2 LYS A 71 -7.404 4.619 11.677 1.00 0.00 H ATOM 1074 HG3 LYS A 71 -7.703 2.965 12.260 1.00 0.00 H ATOM 1075 HD2 LYS A 71 -10.052 3.505 12.606 1.00 0.00 H ATOM 1076 HD3 LYS A 71 -9.758 5.166 12.042 1.00 0.00 H ATOM 1077 HE2 LYS A 71 -9.431 2.642 10.377 1.00 0.00 H ATOM 1078 HE3 LYS A 71 -9.145 4.305 9.814 1.00 0.00 H ATOM 1079 HZ1 LYS A 71 -11.724 3.249 10.882 1.00 0.00 H ATOM 1080 HZ2 LYS A 71 -11.452 4.838 10.345 1.00 0.00 H ATOM 1081 HZ3 LYS A 71 -11.379 3.545 9.245 1.00 0.00 H ATOM 1082 H LYS A 71 -7.318 3.766 16.819 1.00 0.00 H ATOM 1083 N LYS A 72 -8.249 1.371 14.063 1.00 26.12 N ATOM 1084 CA LYS A 72 -7.640 0.040 13.884 1.00 29.93 C ATOM 1085 C LYS A 72 -7.314 -0.537 15.264 1.00 30.78 C ATOM 1086 O LYS A 72 -6.253 -1.123 15.489 1.00 34.32 O ATOM 1087 CB LYS A 72 -6.308 0.262 13.174 1.00 30.59 C ATOM 1088 CG LYS A 72 -6.129 0.009 11.708 1.00 36.64 C ATOM 1089 CD LYS A 72 -4.617 0.046 11.461 1.00 41.66 C ATOM 1090 CE LYS A 72 -4.200 -1.233 10.728 1.00 46.38 C ATOM 1091 NZ LYS A 72 -2.828 -1.198 10.142 1.00 38.85 N ATOM 1092 HA LYS A 72 -8.306 -0.624 13.333 1.00 0.00 H ATOM 1093 HB2 LYS A 72 -6.048 1.308 13.336 1.00 0.00 H ATOM 1094 HB3 LYS A 72 -5.583 -0.374 13.683 1.00 0.00 H ATOM 1095 HG2 LYS A 72 -6.535 -0.966 11.438 1.00 0.00 H ATOM 1096 HG3 LYS A 72 -6.628 0.783 11.125 1.00 0.00 H ATOM 1097 HD2 LYS A 72 -4.367 0.915 10.852 1.00 0.00 H ATOM 1098 HD3 LYS A 72 -4.092 0.109 12.414 1.00 0.00 H ATOM 1099 HE2 LYS A 72 -4.910 -1.408 9.920 1.00 0.00 H ATOM 1100 HE3 LYS A 72 -4.246 -2.061 11.436 1.00 0.00 H ATOM 1101 HZ1 LYS A 72 -2.767 -0.422 9.452 1.00 0.00 H ATOM 1102 HZ2 LYS A 72 -2.132 -1.045 10.900 1.00 0.00 H ATOM 1103 HZ3 LYS A 72 -2.632 -2.102 9.667 1.00 0.00 H ATOM 1104 H LYS A 72 -9.142 1.610 13.586 1.00 0.00 H ATOM 1105 N GLY A 73 -8.178 -0.335 16.252 1.00 33.70 N ATOM 1106 CA GLY A 73 -7.932 -0.803 17.602 1.00 35.12 C ATOM 1107 C GLY A 73 -6.652 -0.257 18.217 1.00 35.88 C ATOM 1108 O GLY A 73 -6.220 -0.868 19.198 1.00 39.87 O ATOM 1109 HA3 GLY A 73 -7.868 -1.891 17.583 1.00 0.00 H ATOM 1110 HA2 GLY A 73 -8.771 -0.501 18.229 1.00 0.00 H ATOM 1111 H GLY A 73 -9.061 0.176 16.051 1.00 0.00 H ATOM 1112 N ARG A 74 -6.007 0.787 17.695 1.00 33.13 N ATOM 1113 CA ARG A 74 -4.805 1.338 18.284 1.00 30.32 C ATOM 1114 C ARG A 74 -5.198 2.580 19.085 1.00 29.48 C ATOM 1115 O ARG A 74 -6.262 3.181 18.933 1.00 28.06 O ATOM 1116 CB ARG A 74 -3.733 1.751 17.285 1.00 36.70 C ATOM 1117 CG ARG A 74 -3.038 0.530 16.672 1.00 45.31 C ATOM 1118 CD ARG A 74 -2.775 0.806 15.198 1.00 50.44 C ATOM 1119 NE ARG A 74 -1.401 0.393 14.900 1.00 56.77 N ATOM 1120 CZ ARG A 74 -1.156 -0.732 14.246 1.00 58.61 C ATOM 1121 NH1 ARG A 74 -2.187 -1.337 13.682 1.00 61.51 N ATOM 1122 NH2 ARG A 74 0.093 -1.153 14.129 1.00 65.42 N ATOM 1123 HA ARG A 74 -4.372 0.544 18.893 1.00 0.00 H ATOM 1124 HB2 ARG A 74 -4.196 2.333 16.488 1.00 0.00 H ATOM 1125 HB3 ARG A 74 -2.990 2.363 17.795 1.00 0.00 H ATOM 1126 HG2 ARG A 74 -2.094 0.349 17.186 1.00 0.00 H ATOM 1127 HG3 ARG A 74 -3.679 -0.346 16.773 1.00 0.00 H ATOM 1128 HD2 ARG A 74 -2.895 1.870 14.993 1.00 0.00 H ATOM 1129 HD3 ARG A 74 -3.474 0.238 14.584 1.00 0.00 H ATOM 1130 HE ARG A 74 -0.608 0.992 15.206 1.00 0.00 H ATOM 1131 HH12 ARG A 74 -2.046 -2.224 13.157 1.00 0.00 H ATOM 1132 HH11 ARG A 74 -3.139 -0.926 13.763 1.00 0.00 H ATOM 1133 HH22 ARG A 74 0.299 -2.035 13.618 1.00 0.00 H ATOM 1134 HH21 ARG A 74 0.869 -0.602 14.548 1.00 0.00 H ATOM 1135 H ARG A 74 -6.383 1.223 16.829 1.00 0.00 H ATOM 1136 N HIS A 75 -4.311 2.941 19.995 1.00 28.68 N ATOM 1137 CA HIS A 75 -4.569 4.117 20.841 1.00 31.23 C ATOM 1138 C HIS A 75 -3.324 4.981 20.716 1.00 29.81 C ATOM 1139 O HIS A 75 -2.335 4.578 21.345 1.00 31.10 O ATOM 1140 CB HIS A 75 -4.685 3.592 22.274 1.00 44.00 C ATOM 1141 CG HIS A 75 -5.399 4.592 23.114 1.00 53.82 C ATOM 1142 ND1 HIS A 75 -6.765 4.511 23.293 1.00 60.96 N ATOM 1143 CD2 HIS A 75 -4.953 5.666 23.804 1.00 60.87 C ATOM 1144 CE1 HIS A 75 -7.136 5.517 24.077 1.00 65.36 C ATOM 1145 NE2 HIS A 75 -6.062 6.224 24.405 1.00 65.97 N ATOM 1146 HA HIS A 75 -5.464 4.676 20.569 1.00 0.00 H ATOM 1147 HB2 HIS A 75 -5.241 2.654 22.274 1.00 0.00 H ATOM 1148 HB3 HIS A 75 -3.688 3.422 22.680 1.00 0.00 H ATOM 1149 HD2 HIS A 75 -3.924 6.020 23.872 1.00 0.00 H ATOM 1150 HE1 HIS A 75 -8.156 5.727 24.398 1.00 0.00 H ATOM 1151 H HIS A 75 -3.433 2.396 20.113 1.00 0.00 H ATOM 1152 N ILE A 76 -3.320 6.032 19.900 1.00 23.80 N ATOM 1153 CA ILE A 76 -2.077 6.790 19.768 1.00 20.75 C ATOM 1154 C ILE A 76 -2.181 8.121 20.502 1.00 20.56 C ATOM 1155 O ILE A 76 -3.180 8.813 20.344 1.00 19.14 O ATOM 1156 CB ILE A 76 -1.842 6.985 18.268 1.00 21.76 C ATOM 1157 CG1 ILE A 76 -1.346 5.645 17.700 1.00 24.79 C ATOM 1158 CG2 ILE A 76 -0.832 8.063 17.953 1.00 22.97 C ATOM 1159 CD1 ILE A 76 -2.018 5.396 16.371 1.00 29.75 C ATOM 1160 HA ILE A 76 -1.237 6.260 20.216 1.00 0.00 H ATOM 1161 HB ILE A 76 -2.781 7.305 17.817 1.00 0.00 H ATOM 1162 HG12 ILE A 76 -0.265 5.684 17.562 1.00 0.00 H ATOM 1163 HG13 ILE A 76 -1.594 4.840 18.392 1.00 0.00 H ATOM 1164 HD11 ILE A 76 -3.098 5.359 16.513 1.00 0.00 H ATOM 1165 HD12 ILE A 76 -1.768 6.203 15.682 1.00 0.00 H ATOM 1166 HD13 ILE A 76 -1.671 4.447 15.962 1.00 0.00 H ATOM 1167 HG21 ILE A 76 -1.180 9.014 18.356 1.00 0.00 H ATOM 1168 HG22 ILE A 76 0.126 7.804 18.404 1.00 0.00 H ATOM 1169 HG23 ILE A 76 -0.716 8.146 16.872 1.00 0.00 H ATOM 1170 H ILE A 76 -4.174 6.305 19.373 1.00 0.00 H ATOM 1171 N LYS A 77 -1.164 8.403 21.294 1.00 17.33 N ATOM 1172 CA LYS A 77 -1.187 9.645 22.077 1.00 21.14 C ATOM 1173 C LYS A 77 -0.057 10.460 21.452 1.00 22.22 C ATOM 1174 O LYS A 77 1.110 10.025 21.445 1.00 26.45 O ATOM 1175 CB LYS A 77 -0.772 9.346 23.503 1.00 25.74 C ATOM 1176 CG LYS A 77 -1.644 9.682 24.670 1.00 35.11 C ATOM 1177 CD LYS A 77 -2.411 8.386 24.958 1.00 46.52 C ATOM 1178 CE LYS A 77 -3.092 8.392 26.319 1.00 56.42 C ATOM 1179 NZ LYS A 77 -4.132 9.457 26.482 1.00 59.62 N ATOM 1180 HA LYS A 77 -2.164 10.128 22.078 1.00 0.00 H ATOM 1181 HB2 LYS A 77 -0.598 8.271 23.551 1.00 0.00 H ATOM 1182 HB3 LYS A 77 0.169 9.872 23.664 1.00 0.00 H ATOM 1183 HG2 LYS A 77 -1.042 9.974 25.531 1.00 0.00 H ATOM 1184 HG3 LYS A 77 -2.331 10.490 24.418 1.00 0.00 H ATOM 1185 HD2 LYS A 77 -3.172 8.253 24.189 1.00 0.00 H ATOM 1186 HD3 LYS A 77 -1.711 7.552 24.923 1.00 0.00 H ATOM 1187 HE2 LYS A 77 -2.328 8.540 27.083 1.00 0.00 H ATOM 1188 HE3 LYS A 77 -3.569 7.423 26.467 1.00 0.00 H ATOM 1189 HZ1 LYS A 77 -3.692 10.391 26.357 1.00 0.00 H ATOM 1190 HZ2 LYS A 77 -4.877 9.324 25.769 1.00 0.00 H ATOM 1191 HZ3 LYS A 77 -4.546 9.392 27.434 1.00 0.00 H ATOM 1192 H LYS A 77 -0.355 7.753 21.363 1.00 0.00 H ATOM 1193 N THR A 78 -0.387 11.591 20.853 1.00 17.29 N ATOM 1194 CA THR A 78 0.680 12.367 20.235 1.00 16.28 C ATOM 1195 C THR A 78 0.281 13.830 20.150 1.00 20.22 C ATOM 1196 O THR A 78 -0.667 14.221 20.838 1.00 18.84 O ATOM 1197 CB THR A 78 0.926 11.745 18.845 1.00 24.80 C ATOM 1198 OG1 THR A 78 2.078 12.391 18.293 1.00 24.55 O ATOM 1199 CG2 THR A 78 -0.298 11.866 17.956 1.00 22.00 C ATOM 1200 HA THR A 78 1.599 12.337 20.821 1.00 0.00 H ATOM 1201 HB THR A 78 1.111 10.674 18.926 1.00 0.00 H ATOM 1202 HG1 THR A 78 2.267 12.016 17.397 1.00 0.00 H ATOM 1203 HG23 THR A 78 -1.139 11.357 18.427 1.00 0.00 H ATOM 1204 HG21 THR A 78 -0.541 12.919 17.816 1.00 0.00 H ATOM 1205 HG22 THR A 78 -0.090 11.408 16.989 1.00 0.00 H ATOM 1206 H THR A 78 -1.375 11.916 20.824 1.00 0.00 H ATOM 1207 N ARG A 79 1.031 14.660 19.435 1.00 16.69 N ATOM 1208 CA ARG A 79 0.699 16.041 19.263 1.00 19.61 C ATOM 1209 C ARG A 79 0.333 16.216 17.783 1.00 21.96 C ATOM 1210 O ARG A 79 0.909 15.519 16.927 1.00 24.87 O ATOM 1211 CB ARG A 79 1.804 17.027 19.582 1.00 26.22 C ATOM 1212 CG ARG A 79 1.795 17.297 21.085 1.00 38.03 C ATOM 1213 CD ARG A 79 1.925 18.789 21.307 1.00 47.50 C ATOM 1214 NE ARG A 79 2.743 19.072 22.477 1.00 56.08 N ATOM 1215 CZ ARG A 79 3.723 19.981 22.414 1.00 63.18 C ATOM 1216 NH1 ARG A 79 4.033 20.657 21.312 1.00 62.13 N ATOM 1217 NH2 ARG A 79 4.436 20.195 23.517 1.00 66.46 N ATOM 1218 HA ARG A 79 -0.103 16.263 19.966 1.00 0.00 H ATOM 1219 HB2 ARG A 79 2.767 16.608 19.289 1.00 0.00 H ATOM 1220 HB3 ARG A 79 1.634 17.957 19.040 1.00 0.00 H ATOM 1221 HG2 ARG A 79 0.860 16.941 21.517 1.00 0.00 H ATOM 1222 HG3 ARG A 79 2.631 16.781 21.556 1.00 0.00 H ATOM 1223 HD2 ARG A 79 0.933 19.216 21.453 1.00 0.00 H ATOM 1224 HD3 ARG A 79 2.388 19.241 20.430 1.00 0.00 H ATOM 1225 HE ARG A 79 2.565 18.565 23.367 1.00 0.00 H ATOM 1226 HH12 ARG A 79 4.807 21.351 21.328 1.00 0.00 H ATOM 1227 HH11 ARG A 79 3.501 20.492 20.434 1.00 0.00 H ATOM 1228 HH22 ARG A 79 5.207 20.893 23.511 1.00 0.00 H ATOM 1229 HH21 ARG A 79 4.222 19.664 24.385 1.00 0.00 H ATOM 1230 H ARG A 79 1.892 14.292 18.983 1.00 0.00 H ATOM 1231 N MET A 80 -0.618 17.081 17.461 1.00 15.94 N ATOM 1232 CA MET A 80 -0.992 17.330 16.093 1.00 11.77 C ATOM 1233 C MET A 80 -0.903 18.856 15.914 1.00 12.23 C ATOM 1234 O MET A 80 -1.176 19.570 16.882 1.00 12.24 O ATOM 1235 CB MET A 80 -2.465 17.017 15.813 1.00 13.56 C ATOM 1236 CG MET A 80 -2.619 15.603 15.283 1.00 15.40 C ATOM 1237 SD MET A 80 -4.320 15.197 14.880 1.00 16.60 S ATOM 1238 CE MET A 80 -4.567 15.547 13.129 1.00 18.32 C ATOM 1239 HA MET A 80 -0.355 16.723 15.450 1.00 0.00 H ATOM 1240 HB2 MET A 80 -3.035 17.118 16.737 1.00 0.00 H ATOM 1241 HB3 MET A 80 -2.847 17.721 15.073 1.00 0.00 H ATOM 1242 HG2 MET A 80 -2.264 14.905 16.041 1.00 0.00 H ATOM 1243 HG3 MET A 80 -2.013 15.499 14.383 1.00 0.00 H ATOM 1244 HE1 MET A 80 -4.374 16.603 12.940 1.00 0.00 H ATOM 1245 HE2 MET A 80 -3.881 14.939 12.538 1.00 0.00 H ATOM 1246 HE3 MET A 80 -5.595 15.309 12.854 1.00 0.00 H ATOM 1247 H MET A 80 -1.109 17.596 18.220 1.00 0.00 H ATOM 1248 N LEU A 81 -0.525 19.299 14.728 1.00 9.61 N ATOM 1249 CA LEU A 81 -0.528 20.750 14.517 1.00 12.60 C ATOM 1250 C LEU A 81 -1.952 21.190 14.219 1.00 10.85 C ATOM 1251 O LEU A 81 -2.838 20.364 13.847 1.00 13.47 O ATOM 1252 CB LEU A 81 0.316 21.098 13.275 1.00 11.87 C ATOM 1253 CG LEU A 81 1.769 20.601 13.382 1.00 15.45 C ATOM 1254 CD1 LEU A 81 2.556 21.007 12.146 1.00 19.32 C ATOM 1255 CD2 LEU A 81 2.403 21.176 14.642 1.00 15.15 C ATOM 1256 HA LEU A 81 -0.127 21.241 15.404 1.00 0.00 H ATOM 1257 HB2 LEU A 81 -0.146 20.640 12.400 1.00 0.00 H ATOM 1258 HB3 LEU A 81 0.326 22.181 13.153 1.00 0.00 H ATOM 1259 HG LEU A 81 1.780 19.513 13.444 1.00 0.00 H ATOM 1260 HD21 LEU A 81 2.391 22.265 14.589 1.00 0.00 H ATOM 1261 HD22 LEU A 81 1.838 20.847 15.514 1.00 0.00 H ATOM 1262 HD23 LEU A 81 3.432 20.826 14.721 1.00 0.00 H ATOM 1263 HD11 LEU A 81 2.093 20.569 11.262 1.00 0.00 H ATOM 1264 HD12 LEU A 81 2.556 22.093 12.057 1.00 0.00 H ATOM 1265 HD13 LEU A 81 3.582 20.649 12.236 1.00 0.00 H ATOM 1266 H LEU A 81 -0.237 18.644 13.973 1.00 0.00 H ATOM 1267 N VAL A 82 -2.306 22.451 14.421 1.00 12.03 N ATOM 1268 CA VAL A 82 -3.640 23.013 14.119 1.00 8.01 C ATOM 1269 C VAL A 82 -3.439 24.201 13.154 1.00 13.49 C ATOM 1270 O VAL A 82 -2.565 25.065 13.379 1.00 12.94 O ATOM 1271 CB VAL A 82 -4.373 23.466 15.386 1.00 10.14 C ATOM 1272 CG1 VAL A 82 -5.729 23.979 14.958 1.00 7.74 C ATOM 1273 CG2 VAL A 82 -4.448 22.322 16.402 1.00 13.43 C ATOM 1274 HA VAL A 82 -4.262 22.243 13.663 1.00 0.00 H ATOM 1275 HB VAL A 82 -3.839 24.268 15.896 1.00 0.00 H ATOM 1276 HG11 VAL A 82 -5.599 24.814 14.270 1.00 0.00 H ATOM 1277 HG12 VAL A 82 -6.278 23.179 14.461 1.00 0.00 H ATOM 1278 HG13 VAL A 82 -6.283 24.312 15.835 1.00 0.00 H ATOM 1279 HG21 VAL A 82 -4.986 21.482 15.963 1.00 0.00 H ATOM 1280 HG22 VAL A 82 -3.439 22.009 16.669 1.00 0.00 H ATOM 1281 HG23 VAL A 82 -4.972 22.664 17.294 1.00 0.00 H ATOM 1282 H VAL A 82 -1.593 23.093 14.822 1.00 0.00 H ATOM 1283 N ALA A 83 -4.149 24.271 12.037 1.00 10.49 N ATOM 1284 CA ALA A 83 -3.954 25.392 11.091 1.00 9.20 C ATOM 1285 C ALA A 83 -5.175 25.666 10.268 1.00 10.35 C ATOM 1286 O ALA A 83 -6.072 24.796 10.152 1.00 10.90 O ATOM 1287 CB ALA A 83 -2.721 25.076 10.203 1.00 12.20 C ATOM 1288 HA ALA A 83 -3.775 26.306 11.657 1.00 0.00 H ATOM 1289 HB1 ALA A 83 -1.840 24.963 10.834 1.00 0.00 H ATOM 1290 HB2 ALA A 83 -2.898 24.151 9.654 1.00 0.00 H ATOM 1291 HB3 ALA A 83 -2.563 25.893 9.499 1.00 0.00 H ATOM 1292 H ALA A 83 -4.849 23.532 11.824 1.00 0.00 H ATOM 1293 N ASP A 84 -5.325 26.933 9.726 1.00 6.88 N ATOM 1294 CA ASP A 84 -6.548 27.135 8.945 1.00 10.47 C ATOM 1295 C ASP A 84 -6.402 26.561 7.537 1.00 14.29 C ATOM 1296 O ASP A 84 -6.189 27.331 6.587 1.00 17.32 O ATOM 1297 CB ASP A 84 -6.780 28.643 8.742 1.00 11.55 C ATOM 1298 CG ASP A 84 -7.340 29.236 10.024 1.00 22.82 C ATOM 1299 OD1 ASP A 84 -8.150 28.574 10.694 1.00 21.99 O ATOM 1300 OD2 ASP A 84 -6.984 30.388 10.356 1.00 23.33 O ATOM 1301 HA ASP A 84 -7.360 26.650 9.487 1.00 0.00 H ATOM 1302 HB2 ASP A 84 -5.835 29.128 8.497 1.00 0.00 H ATOM 1303 HB3 ASP A 84 -7.488 28.797 7.928 1.00 0.00 H ATOM 1304 H ASP A 84 -4.621 27.686 9.864 1.00 0.00 H ATOM 1305 N ILE A 85 -6.478 25.257 7.394 1.00 11.81 N ATOM 1306 CA ILE A 85 -6.373 24.569 6.123 1.00 14.36 C ATOM 1307 C ILE A 85 -7.733 23.932 5.840 1.00 14.97 C ATOM 1308 O ILE A 85 -8.539 23.833 6.746 1.00 15.96 O ATOM 1309 CB ILE A 85 -5.196 23.594 6.061 1.00 11.10 C ATOM 1310 CG1 ILE A 85 -5.268 22.477 7.111 1.00 14.23 C ATOM 1311 CG2 ILE A 85 -3.928 24.415 6.310 1.00 13.36 C ATOM 1312 CD1 ILE A 85 -4.387 21.272 6.753 1.00 13.95 C ATOM 1313 HA ILE A 85 -6.137 25.276 5.328 1.00 0.00 H ATOM 1314 HB ILE A 85 -5.209 23.105 5.087 1.00 0.00 H ATOM 1315 HG12 ILE A 85 -4.939 22.877 8.070 1.00 0.00 H ATOM 1316 HG13 ILE A 85 -6.302 22.142 7.194 1.00 0.00 H ATOM 1317 HD11 ILE A 85 -4.712 20.857 5.799 1.00 0.00 H ATOM 1318 HD12 ILE A 85 -3.348 21.593 6.676 1.00 0.00 H ATOM 1319 HD13 ILE A 85 -4.477 20.514 7.531 1.00 0.00 H ATOM 1320 HG21 ILE A 85 -3.837 25.182 5.541 1.00 0.00 H ATOM 1321 HG22 ILE A 85 -3.989 24.887 7.291 1.00 0.00 H ATOM 1322 HG23 ILE A 85 -3.059 23.758 6.275 1.00 0.00 H ATOM 1323 H ILE A 85 -6.623 24.682 8.248 1.00 0.00 H ATOM 1324 N PRO A 86 -8.003 23.513 4.602 1.00 17.16 N ATOM 1325 CA PRO A 86 -9.314 23.020 4.227 1.00 18.40 C ATOM 1326 C PRO A 86 -9.651 21.639 4.722 1.00 15.87 C ATOM 1327 O PRO A 86 -10.831 21.316 4.681 1.00 18.68 O ATOM 1328 CB PRO A 86 -9.182 22.922 2.678 1.00 19.87 C ATOM 1329 CG PRO A 86 -8.093 23.892 2.410 1.00 19.52 C ATOM 1330 CD PRO A 86 -7.075 23.692 3.491 1.00 19.36 C ATOM 1331 HA PRO A 86 -10.088 23.668 4.639 1.00 0.00 H ATOM 1332 HD3 PRO A 86 -6.457 22.810 3.321 1.00 0.00 H ATOM 1333 HD2 PRO A 86 -6.434 24.563 3.623 1.00 0.00 H ATOM 1334 HG3 PRO A 86 -8.479 24.911 2.439 1.00 0.00 H ATOM 1335 HG2 PRO A 86 -7.649 23.701 1.433 1.00 0.00 H ATOM 1336 HB2 PRO A 86 -8.905 21.915 2.365 1.00 0.00 H ATOM 1337 HB3 PRO A 86 -10.107 23.214 2.180 1.00 0.00 H ATOM 1338 N VAL A 87 -8.635 20.836 5.117 1.00 12.80 N ATOM 1339 CA VAL A 87 -9.067 19.467 5.515 1.00 12.79 C ATOM 1340 C VAL A 87 -8.143 18.929 6.590 1.00 10.72 C ATOM 1341 O VAL A 87 -7.030 19.471 6.685 1.00 9.05 O ATOM 1342 CB VAL A 87 -8.975 18.615 4.224 1.00 21.52 C ATOM 1343 CG1 VAL A 87 -7.555 18.594 3.659 1.00 20.25 C ATOM 1344 CG2 VAL A 87 -9.430 17.177 4.381 1.00 24.88 C ATOM 1345 HA VAL A 87 -10.076 19.452 5.927 1.00 0.00 H ATOM 1346 HB VAL A 87 -9.662 19.112 3.540 1.00 0.00 H ATOM 1347 HG11 VAL A 87 -7.245 19.612 3.422 1.00 0.00 H ATOM 1348 HG12 VAL A 87 -6.877 18.170 4.399 1.00 0.00 H ATOM 1349 HG13 VAL A 87 -7.534 17.986 2.755 1.00 0.00 H ATOM 1350 HG21 VAL A 87 -8.813 16.682 5.131 1.00 0.00 H ATOM 1351 HG22 VAL A 87 -10.473 17.160 4.697 1.00 0.00 H ATOM 1352 HG23 VAL A 87 -9.330 16.659 3.427 1.00 0.00 H ATOM 1353 H VAL A 87 -7.643 21.147 5.140 1.00 0.00 H ATOM 1354 N THR A 88 -8.554 17.954 7.389 1.00 8.77 N ATOM 1355 CA THR A 88 -7.629 17.467 8.430 1.00 8.37 C ATOM 1356 C THR A 88 -6.885 16.302 7.756 1.00 9.74 C ATOM 1357 O THR A 88 -7.474 15.517 7.018 1.00 9.48 O ATOM 1358 CB THR A 88 -8.462 16.900 9.586 1.00 8.65 C ATOM 1359 OG1 THR A 88 -8.893 18.052 10.339 1.00 12.61 O ATOM 1360 CG2 THR A 88 -7.594 15.996 10.467 1.00 5.98 C ATOM 1361 HA THR A 88 -6.962 18.241 8.809 1.00 0.00 H ATOM 1362 HB THR A 88 -9.301 16.302 9.231 1.00 0.00 H ATOM 1363 HG1 THR A 88 -9.441 17.756 11.108 1.00 0.00 H ATOM 1364 HG23 THR A 88 -7.273 15.129 9.890 1.00 0.00 H ATOM 1365 HG21 THR A 88 -6.720 16.552 10.806 1.00 0.00 H ATOM 1366 HG22 THR A 88 -8.174 15.666 11.329 1.00 0.00 H ATOM 1367 H THR A 88 -9.504 17.543 7.285 1.00 0.00 H ATOM 1368 N ILE A 89 -5.585 16.376 7.997 1.00 8.19 N ATOM 1369 CA ILE A 89 -4.618 15.441 7.389 1.00 10.96 C ATOM 1370 C ILE A 89 -3.828 14.617 8.361 1.00 8.35 C ATOM 1371 O ILE A 89 -3.242 15.063 9.347 1.00 10.08 O ATOM 1372 CB ILE A 89 -3.628 16.387 6.618 1.00 11.35 C ATOM 1373 CG1 ILE A 89 -4.364 17.156 5.520 1.00 14.96 C ATOM 1374 CG2 ILE A 89 -2.370 15.673 6.089 1.00 15.85 C ATOM 1375 CD1 ILE A 89 -3.495 18.104 4.749 1.00 15.86 C ATOM 1376 HA ILE A 89 -5.153 14.710 6.782 1.00 0.00 H ATOM 1377 HB ILE A 89 -3.252 17.105 7.347 1.00 0.00 H ATOM 1378 HG12 ILE A 89 -4.788 16.434 4.822 1.00 0.00 H ATOM 1379 HG13 ILE A 89 -5.169 17.728 5.983 1.00 0.00 H ATOM 1380 HD11 ILE A 89 -3.071 18.842 5.430 1.00 0.00 H ATOM 1381 HD12 ILE A 89 -2.690 17.548 4.268 1.00 0.00 H ATOM 1382 HD13 ILE A 89 -4.094 18.609 3.991 1.00 0.00 H ATOM 1383 HG21 ILE A 89 -1.820 15.241 6.925 1.00 0.00 H ATOM 1384 HG22 ILE A 89 -2.665 14.882 5.400 1.00 0.00 H ATOM 1385 HG23 ILE A 89 -1.737 16.392 5.569 1.00 0.00 H ATOM 1386 H ILE A 89 -5.234 17.118 8.636 1.00 0.00 H ATOM 1387 N LEU A 90 -3.822 13.310 8.100 1.00 7.25 N ATOM 1388 CA LEU A 90 -2.990 12.383 8.820 1.00 7.76 C ATOM 1389 C LEU A 90 -1.777 12.213 7.846 1.00 11.60 C ATOM 1390 O LEU A 90 -1.890 11.685 6.721 1.00 10.97 O ATOM 1391 CB LEU A 90 -3.702 11.028 8.976 1.00 11.66 C ATOM 1392 CG LEU A 90 -4.208 10.755 10.385 1.00 23.31 C ATOM 1393 CD1 LEU A 90 -4.731 11.967 11.114 1.00 16.45 C ATOM 1394 CD2 LEU A 90 -5.170 9.576 10.396 1.00 20.70 C ATOM 1395 HA LEU A 90 -2.729 12.722 9.823 1.00 0.00 H ATOM 1396 HB2 LEU A 90 -4.553 11.007 8.295 1.00 0.00 H ATOM 1397 HB3 LEU A 90 -3.001 10.239 8.704 1.00 0.00 H ATOM 1398 HG LEU A 90 -3.334 10.473 10.973 1.00 0.00 H ATOM 1399 HD21 LEU A 90 -6.022 9.798 9.753 1.00 0.00 H ATOM 1400 HD22 LEU A 90 -4.658 8.687 10.028 1.00 0.00 H ATOM 1401 HD23 LEU A 90 -5.517 9.401 11.414 1.00 0.00 H ATOM 1402 HD11 LEU A 90 -3.936 12.707 11.203 1.00 0.00 H ATOM 1403 HD12 LEU A 90 -5.565 12.393 10.556 1.00 0.00 H ATOM 1404 HD13 LEU A 90 -5.069 11.674 12.108 1.00 0.00 H ATOM 1405 H LEU A 90 -4.442 12.947 7.348 1.00 0.00 H ATOM 1406 N GLY A 91 -0.616 12.696 8.295 1.00 7.80 N ATOM 1407 CA GLY A 91 0.590 12.584 7.477 1.00 9.49 C ATOM 1408 C GLY A 91 1.394 11.350 7.930 1.00 9.01 C ATOM 1409 O GLY A 91 0.970 10.559 8.771 1.00 9.79 O ATOM 1410 HA3 GLY A 91 1.198 13.481 7.598 1.00 0.00 H ATOM 1411 HA2 GLY A 91 0.312 12.474 6.429 1.00 0.00 H ATOM 1412 H GLY A 91 -0.570 13.153 9.228 1.00 0.00 H ATOM 1413 N ARG A 92 2.654 11.336 7.514 1.00 5.34 N ATOM 1414 CA ARG A 92 3.557 10.196 7.713 1.00 8.85 C ATOM 1415 C ARG A 92 3.831 9.846 9.160 1.00 8.49 C ATOM 1416 O ARG A 92 4.027 8.656 9.454 1.00 12.37 O ATOM 1417 CB ARG A 92 4.857 10.408 6.893 1.00 5.80 C ATOM 1418 CG ARG A 92 4.600 10.378 5.350 1.00 4.58 C ATOM 1419 CD ARG A 92 6.012 10.313 4.665 1.00 6.15 C ATOM 1420 NE ARG A 92 6.835 11.481 4.919 1.00 8.51 N ATOM 1421 CZ ARG A 92 7.799 11.644 5.816 1.00 11.83 C ATOM 1422 NH1 ARG A 92 8.211 10.632 6.629 1.00 10.03 N ATOM 1423 NH2 ARG A 92 8.478 12.788 5.966 1.00 13.48 N ATOM 1424 HA ARG A 92 3.036 9.316 7.336 1.00 0.00 H ATOM 1425 HB2 ARG A 92 5.285 11.375 7.158 1.00 0.00 H ATOM 1426 HB3 ARG A 92 5.564 9.618 7.146 1.00 0.00 H ATOM 1427 HG2 ARG A 92 4.011 9.501 5.083 1.00 0.00 H ATOM 1428 HG3 ARG A 92 4.071 11.278 5.038 1.00 0.00 H ATOM 1429 HD2 ARG A 92 5.869 10.219 3.588 1.00 0.00 H ATOM 1430 HD3 ARG A 92 6.537 9.434 5.039 1.00 0.00 H ATOM 1431 HE ARG A 92 6.642 12.305 4.314 1.00 0.00 H ATOM 1432 HH12 ARG A 92 8.970 10.797 7.321 1.00 0.00 H ATOM 1433 HH11 ARG A 92 7.767 9.694 6.558 1.00 0.00 H ATOM 1434 HH22 ARG A 92 9.225 12.859 6.687 1.00 0.00 H ATOM 1435 HH21 ARG A 92 8.259 13.606 5.362 1.00 0.00 H ATOM 1436 H ARG A 92 3.020 12.176 7.022 1.00 0.00 H ATOM 1437 N ASP A 93 3.880 10.841 10.033 1.00 10.40 N ATOM 1438 CA ASP A 93 4.132 10.551 11.436 1.00 13.05 C ATOM 1439 C ASP A 93 3.052 9.652 11.981 1.00 13.55 C ATOM 1440 O ASP A 93 3.396 8.610 12.530 1.00 13.92 O ATOM 1441 CB ASP A 93 4.280 11.838 12.263 1.00 13.63 C ATOM 1442 CG ASP A 93 3.053 12.742 12.184 1.00 17.47 C ATOM 1443 OD1 ASP A 93 2.230 12.701 11.270 1.00 13.96 O ATOM 1444 OD2 ASP A 93 2.838 13.565 13.094 1.00 32.14 O ATOM 1445 HA ASP A 93 5.083 10.024 11.514 1.00 0.00 H ATOM 1446 HB2 ASP A 93 4.444 11.565 13.305 1.00 0.00 H ATOM 1447 HB3 ASP A 93 5.144 12.391 11.894 1.00 0.00 H ATOM 1448 H ASP A 93 3.739 11.822 9.718 1.00 0.00 H ATOM 1449 N ILE A 94 1.769 9.921 11.737 1.00 11.91 N ATOM 1450 CA ILE A 94 0.692 9.081 12.242 1.00 12.90 C ATOM 1451 C ILE A 94 0.441 7.874 11.373 1.00 12.09 C ATOM 1452 O ILE A 94 0.085 6.770 11.838 1.00 15.76 O ATOM 1453 CB ILE A 94 -0.571 9.966 12.457 1.00 10.30 C ATOM 1454 CG1 ILE A 94 -0.304 10.849 13.664 1.00 14.62 C ATOM 1455 CG2 ILE A 94 -1.718 9.020 12.837 1.00 13.29 C ATOM 1456 CD1 ILE A 94 -1.412 11.780 14.101 1.00 20.61 C ATOM 1457 HA ILE A 94 0.983 8.658 13.204 1.00 0.00 H ATOM 1458 HB ILE A 94 -0.805 10.557 11.572 1.00 0.00 H ATOM 1459 HG12 ILE A 94 -0.076 10.194 14.505 1.00 0.00 H ATOM 1460 HG13 ILE A 94 0.568 11.462 13.435 1.00 0.00 H ATOM 1461 HD11 ILE A 94 -1.652 12.465 13.287 1.00 0.00 H ATOM 1462 HD12 ILE A 94 -2.296 11.196 14.358 1.00 0.00 H ATOM 1463 HD13 ILE A 94 -1.085 12.349 14.972 1.00 0.00 H ATOM 1464 HG21 ILE A 94 -1.880 8.305 12.031 1.00 0.00 H ATOM 1465 HG22 ILE A 94 -1.459 8.486 13.752 1.00 0.00 H ATOM 1466 HG23 ILE A 94 -2.627 9.600 12.998 1.00 0.00 H ATOM 1467 H ILE A 94 1.530 10.758 11.168 1.00 0.00 H ATOM 1468 N LEU A 95 0.616 7.976 10.050 1.00 10.01 N ATOM 1469 CA LEU A 95 0.477 6.827 9.176 1.00 10.95 C ATOM 1470 C LEU A 95 1.453 5.702 9.559 1.00 11.41 C ATOM 1471 O LEU A 95 1.107 4.532 9.464 1.00 14.13 O ATOM 1472 CB LEU A 95 0.723 7.271 7.730 1.00 8.19 C ATOM 1473 CG LEU A 95 -0.412 8.073 7.102 1.00 10.27 C ATOM 1474 CD1 LEU A 95 -0.095 8.427 5.656 1.00 15.01 C ATOM 1475 CD2 LEU A 95 -1.792 7.429 7.196 1.00 14.11 C ATOM 1476 HA LEU A 95 -0.533 6.430 9.280 1.00 0.00 H ATOM 1477 HB2 LEU A 95 1.622 7.886 7.713 1.00 0.00 H ATOM 1478 HB3 LEU A 95 0.883 6.379 7.124 1.00 0.00 H ATOM 1479 HG LEU A 95 -0.473 8.979 7.705 1.00 0.00 H ATOM 1480 HD21 LEU A 95 -1.776 6.464 6.690 1.00 0.00 H ATOM 1481 HD22 LEU A 95 -2.055 7.287 8.244 1.00 0.00 H ATOM 1482 HD23 LEU A 95 -2.528 8.078 6.721 1.00 0.00 H ATOM 1483 HD11 LEU A 95 0.816 9.024 5.621 1.00 0.00 H ATOM 1484 HD12 LEU A 95 0.046 7.511 5.082 1.00 0.00 H ATOM 1485 HD13 LEU A 95 -0.921 8.999 5.234 1.00 0.00 H ATOM 1486 H LEU A 95 0.857 8.900 9.639 1.00 0.00 H ATOM 1487 N GLN A 96 2.690 6.026 9.924 1.00 12.25 N ATOM 1488 CA GLN A 96 3.726 5.082 10.332 1.00 17.46 C ATOM 1489 C GLN A 96 3.255 4.377 11.601 1.00 16.32 C ATOM 1490 O GLN A 96 3.313 3.132 11.752 1.00 17.14 O ATOM 1491 CB GLN A 96 5.055 5.803 10.558 1.00 22.30 C ATOM 1492 CG GLN A 96 6.223 4.894 10.886 1.00 38.04 C ATOM 1493 CD GLN A 96 7.544 5.620 11.109 1.00 41.26 C ATOM 1494 OE1 GLN A 96 7.640 6.823 10.887 1.00 33.95 O ATOM 1495 NE2 GLN A 96 8.566 4.899 11.564 1.00 41.76 N ATOM 1496 HA GLN A 96 3.893 4.345 9.546 1.00 0.00 H ATOM 1497 HB2 GLN A 96 5.300 6.356 9.651 1.00 0.00 H ATOM 1498 HB3 GLN A 96 4.926 6.502 11.385 1.00 0.00 H ATOM 1499 HG2 GLN A 96 5.980 4.341 11.793 1.00 0.00 H ATOM 1500 HG3 GLN A 96 6.353 4.195 10.060 1.00 0.00 H ATOM 1501 HE22 GLN A 96 8.447 3.881 11.740 1.00 0.00 H ATOM 1502 HE21 GLN A 96 9.484 5.354 11.743 1.00 0.00 H ATOM 1503 H GLN A 96 2.940 7.035 9.918 1.00 0.00 H ATOM 1504 N ASP A 97 2.712 5.160 12.516 1.00 17.51 N ATOM 1505 CA ASP A 97 2.173 4.620 13.770 1.00 21.52 C ATOM 1506 C ASP A 97 1.061 3.605 13.489 1.00 20.79 C ATOM 1507 O ASP A 97 1.003 2.562 14.134 1.00 21.75 O ATOM 1508 CB ASP A 97 1.551 5.691 14.680 1.00 22.46 C ATOM 1509 CG ASP A 97 2.649 6.520 15.325 1.00 29.10 C ATOM 1510 OD1 ASP A 97 3.737 5.928 15.495 1.00 29.78 O ATOM 1511 OD2 ASP A 97 2.481 7.721 15.630 1.00 34.54 O ATOM 1512 HA ASP A 97 3.030 4.169 14.270 1.00 0.00 H ATOM 1513 HB2 ASP A 97 0.908 6.341 14.087 1.00 0.00 H ATOM 1514 HB3 ASP A 97 0.959 5.207 15.457 1.00 0.00 H ATOM 1515 H ASP A 97 2.665 6.185 12.344 1.00 0.00 H ATOM 1516 N LEU A 98 0.148 3.871 12.571 1.00 16.70 N ATOM 1517 CA LEU A 98 -0.934 3.013 12.227 1.00 18.54 C ATOM 1518 C LEU A 98 -0.467 1.844 11.345 1.00 20.05 C ATOM 1519 O LEU A 98 -1.329 0.979 11.107 1.00 21.48 O ATOM 1520 CB LEU A 98 -2.116 3.666 11.474 1.00 19.09 C ATOM 1521 CG LEU A 98 -2.868 4.692 12.339 1.00 21.10 C ATOM 1522 CD1 LEU A 98 -3.819 5.547 11.521 1.00 20.19 C ATOM 1523 CD2 LEU A 98 -3.658 3.976 13.428 1.00 20.10 C ATOM 1524 HA LEU A 98 -1.292 2.696 13.207 1.00 0.00 H ATOM 1525 HB2 LEU A 98 -1.731 4.170 10.588 1.00 0.00 H ATOM 1526 HB3 LEU A 98 -2.813 2.885 11.172 1.00 0.00 H ATOM 1527 HG LEU A 98 -2.118 5.348 12.781 1.00 0.00 H ATOM 1528 HD21 LEU A 98 -4.377 3.298 12.968 1.00 0.00 H ATOM 1529 HD22 LEU A 98 -2.973 3.408 14.058 1.00 0.00 H ATOM 1530 HD23 LEU A 98 -4.187 4.711 14.035 1.00 0.00 H ATOM 1531 HD11 LEU A 98 -3.256 6.091 10.763 1.00 0.00 H ATOM 1532 HD12 LEU A 98 -4.557 4.907 11.037 1.00 0.00 H ATOM 1533 HD13 LEU A 98 -4.325 6.255 12.177 1.00 0.00 H ATOM 1534 H LEU A 98 0.226 4.775 12.062 1.00 0.00 H ATOM 1535 N GLY A 99 0.748 1.767 10.854 1.00 17.99 N ATOM 1536 CA GLY A 99 1.110 0.632 10.014 1.00 14.87 C ATOM 1537 C GLY A 99 0.723 0.845 8.571 1.00 16.39 C ATOM 1538 O GLY A 99 0.711 -0.124 7.827 1.00 16.15 O ATOM 1539 HA3 GLY A 99 0.602 -0.257 10.387 1.00 0.00 H ATOM 1540 HA2 GLY A 99 2.188 0.483 10.070 1.00 0.00 H ATOM 1541 H GLY A 99 1.446 2.509 11.062 1.00 0.00 H ATOM 1542 N ALA A 100 0.396 2.045 8.081 1.00 14.59 N ATOM 1543 CA ALA A 100 -0.005 2.243 6.692 1.00 16.86 C ATOM 1544 C ALA A 100 1.199 2.074 5.770 1.00 15.24 C ATOM 1545 O ALA A 100 2.323 2.262 6.192 1.00 17.44 O ATOM 1546 CB ALA A 100 -0.477 3.685 6.433 1.00 16.18 C ATOM 1547 HA ALA A 100 -0.798 1.520 6.504 1.00 0.00 H ATOM 1548 HB1 ALA A 100 -1.332 3.906 7.072 1.00 0.00 H ATOM 1549 HB2 ALA A 100 0.334 4.377 6.658 1.00 0.00 H ATOM 1550 HB3 ALA A 100 -0.766 3.789 5.387 1.00 0.00 H ATOM 1551 H ALA A 100 0.429 2.869 8.714 1.00 0.00 H ATOM 1552 N LYS A 101 0.991 1.615 4.563 1.00 13.07 N ATOM 1553 CA LYS A 101 2.152 1.472 3.668 1.00 13.88 C ATOM 1554 C LYS A 101 1.689 1.843 2.267 1.00 11.97 C ATOM 1555 O LYS A 101 0.537 1.636 1.897 1.00 11.19 O ATOM 1556 CB LYS A 101 2.703 0.045 3.731 1.00 16.04 C ATOM 1557 CG LYS A 101 1.684 -0.943 3.185 1.00 15.04 C ATOM 1558 CD LYS A 101 2.178 -2.382 3.202 1.00 21.09 C ATOM 1559 CE LYS A 101 2.694 -2.726 4.594 1.00 19.44 C ATOM 1560 NZ LYS A 101 2.765 -4.212 4.748 1.00 21.82 N ATOM 1561 HA LYS A 101 2.967 2.130 3.971 1.00 0.00 H ATOM 1562 HB2 LYS A 101 3.615 -0.014 3.137 1.00 0.00 H ATOM 1563 HB3 LYS A 101 2.929 -0.207 4.767 1.00 0.00 H ATOM 1564 HG2 LYS A 101 0.780 -0.879 3.790 1.00 0.00 H ATOM 1565 HG3 LYS A 101 1.451 -0.668 2.156 1.00 0.00 H ATOM 1566 HD2 LYS A 101 1.358 -3.051 2.943 1.00 0.00 H ATOM 1567 HD3 LYS A 101 2.983 -2.499 2.477 1.00 0.00 H ATOM 1568 HE2 LYS A 101 2.018 -2.315 5.344 1.00 0.00 H ATOM 1569 HE3 LYS A 101 3.688 -2.299 4.729 1.00 0.00 H ATOM 1570 HZ1 LYS A 101 1.816 -4.618 4.620 1.00 0.00 H ATOM 1571 HZ2 LYS A 101 3.411 -4.603 4.032 1.00 0.00 H ATOM 1572 HZ3 LYS A 101 3.117 -4.444 5.699 1.00 0.00 H ATOM 1573 H LYS A 101 0.035 1.359 4.245 1.00 0.00 H ATOM 1574 N LEU A 102 2.564 2.404 1.429 1.00 10.26 N ATOM 1575 CA LEU A 102 2.195 2.717 0.064 1.00 7.74 C ATOM 1576 C LEU A 102 2.930 1.652 -0.813 1.00 12.99 C ATOM 1577 O LEU A 102 4.146 1.467 -0.565 1.00 12.51 O ATOM 1578 CB LEU A 102 2.880 4.070 -0.362 1.00 7.28 C ATOM 1579 CG LEU A 102 2.574 4.537 -1.753 1.00 10.15 C ATOM 1580 CD1 LEU A 102 1.098 4.807 -2.011 1.00 13.02 C ATOM 1581 CD2 LEU A 102 3.166 5.935 -2.046 1.00 18.41 C ATOM 1582 HA LEU A 102 1.111 2.753 -0.040 1.00 0.00 H ATOM 1583 HB2 LEU A 102 2.555 4.845 0.332 1.00 0.00 H ATOM 1584 HB3 LEU A 102 3.959 3.941 -0.280 1.00 0.00 H ATOM 1585 HG LEU A 102 2.978 3.723 -2.355 1.00 0.00 H ATOM 1586 HD21 LEU A 102 2.748 6.659 -1.347 1.00 0.00 H ATOM 1587 HD22 LEU A 102 4.249 5.901 -1.931 1.00 0.00 H ATOM 1588 HD23 LEU A 102 2.916 6.227 -3.066 1.00 0.00 H ATOM 1589 HD11 LEU A 102 0.529 3.892 -1.848 1.00 0.00 H ATOM 1590 HD12 LEU A 102 0.747 5.581 -1.329 1.00 0.00 H ATOM 1591 HD13 LEU A 102 0.965 5.140 -3.040 1.00 0.00 H ATOM 1592 H LEU A 102 3.525 2.620 1.762 1.00 0.00 H ATOM 1593 N VAL A 103 2.214 1.013 -1.695 1.00 9.81 N ATOM 1594 CA VAL A 103 2.793 -0.015 -2.546 1.00 15.48 C ATOM 1595 C VAL A 103 2.797 0.450 -3.991 1.00 18.87 C ATOM 1596 O VAL A 103 1.731 0.726 -4.522 1.00 18.89 O ATOM 1597 CB VAL A 103 1.944 -1.283 -2.559 1.00 14.64 C ATOM 1598 CG1 VAL A 103 2.562 -2.509 -3.218 1.00 20.47 C ATOM 1599 CG2 VAL A 103 1.662 -1.680 -1.114 1.00 15.02 C ATOM 1600 HA VAL A 103 3.791 -0.206 -2.152 1.00 0.00 H ATOM 1601 HB VAL A 103 1.067 -1.018 -3.150 1.00 0.00 H ATOM 1602 HG11 VAL A 103 2.782 -2.287 -4.262 1.00 0.00 H ATOM 1603 HG12 VAL A 103 3.484 -2.773 -2.700 1.00 0.00 H ATOM 1604 HG13 VAL A 103 1.861 -3.342 -3.162 1.00 0.00 H ATOM 1605 HG21 VAL A 103 2.605 -1.864 -0.599 1.00 0.00 H ATOM 1606 HG22 VAL A 103 1.125 -0.873 -0.615 1.00 0.00 H ATOM 1607 HG23 VAL A 103 1.055 -2.586 -1.099 1.00 0.00 H ATOM 1608 H VAL A 103 1.205 1.244 -1.793 1.00 0.00 H ATOM 1609 N LEU A 104 3.996 0.406 -4.557 1.00 19.02 N ATOM 1610 CA LEU A 104 4.094 0.783 -5.959 1.00 24.22 C ATOM 1611 C LEU A 104 4.668 -0.458 -6.659 1.00 29.98 C ATOM 1612 O LEU A 104 3.993 -1.183 -7.420 1.00 32.58 O ATOM 1613 CB LEU A 104 4.972 2.005 -6.112 1.00 28.20 C ATOM 1614 CG LEU A 104 4.813 2.789 -7.422 1.00 36.20 C ATOM 1615 CD1 LEU A 104 6.192 3.101 -7.970 1.00 44.46 C ATOM 1616 CD2 LEU A 104 4.009 2.056 -8.491 1.00 39.01 C ATOM 1617 HA LEU A 104 3.136 1.063 -6.398 1.00 0.00 H ATOM 1618 OXT LEU A 104 5.866 -0.696 -6.408 1.00 32.06 O ATOM 1619 HB2 LEU A 104 4.747 2.683 -5.288 1.00 0.00 H ATOM 1620 HB3 LEU A 104 6.010 1.681 -6.041 1.00 0.00 H ATOM 1621 HG LEU A 104 4.254 3.693 -7.182 1.00 0.00 H ATOM 1622 HD21 LEU A 104 4.504 1.117 -8.736 1.00 0.00 H ATOM 1623 HD22 LEU A 104 3.007 1.852 -8.114 1.00 0.00 H ATOM 1624 HD23 LEU A 104 3.943 2.677 -9.384 1.00 0.00 H ATOM 1625 HD11 LEU A 104 6.743 3.698 -7.244 1.00 0.00 H ATOM 1626 HD12 LEU A 104 6.727 2.170 -8.157 1.00 0.00 H ATOM 1627 HD13 LEU A 104 6.094 3.658 -8.902 1.00 0.00 H ATOM 1628 H LEU A 104 4.836 0.113 -4.018 1.00 0.00 H TER 1629 LEU A 104 ATOM 1630 N VAL B 1 7.436 -2.343 -4.888 1.00 20.32 N ATOM 1631 CA VAL B 1 8.161 -2.019 -3.627 1.00 19.47 C ATOM 1632 C VAL B 1 7.161 -1.332 -2.694 1.00 16.19 C ATOM 1633 O VAL B 1 6.126 -0.830 -3.101 1.00 21.04 O ATOM 1634 CB VAL B 1 9.469 -1.208 -3.618 1.00 28.10 C ATOM 1635 CG1 VAL B 1 10.573 -1.791 -4.504 1.00 27.34 C ATOM 1636 CG2 VAL B 1 9.175 0.210 -4.106 1.00 25.98 C ATOM 1637 HA VAL B 1 8.535 -2.998 -3.329 1.00 0.00 H ATOM 1638 HB VAL B 1 9.834 -1.231 -2.591 1.00 0.00 H ATOM 1639 HG11 VAL B 1 10.817 -2.797 -4.164 1.00 0.00 H ATOM 1640 HG12 VAL B 1 10.226 -1.829 -5.537 1.00 0.00 H ATOM 1641 HG13 VAL B 1 11.459 -1.160 -4.440 1.00 0.00 H ATOM 1642 HG21 VAL B 1 8.773 0.168 -5.118 1.00 0.00 H ATOM 1643 HG22 VAL B 1 8.446 0.677 -3.443 1.00 0.00 H ATOM 1644 HG23 VAL B 1 10.096 0.792 -4.103 1.00 0.00 H ATOM 1645 HN3 VAL B 1 7.079 -1.465 -5.316 1.00 0.00 H ATOM 1646 HN2 VAL B 1 6.639 -2.976 -4.675 1.00 0.00 H ATOM 1647 HN1 VAL B 1 8.086 -2.813 -5.549 1.00 0.00 H ATOM 1648 N THR B 2 7.538 -1.381 -1.442 1.00 16.34 N ATOM 1649 CA THR B 2 6.733 -0.880 -0.340 1.00 14.31 C ATOM 1650 C THR B 2 7.412 0.270 0.361 1.00 16.05 C ATOM 1651 O THR B 2 8.565 0.158 0.701 1.00 17.09 O ATOM 1652 CB THR B 2 6.547 -2.023 0.670 1.00 23.54 C ATOM 1653 OG1 THR B 2 5.758 -3.046 -0.010 1.00 27.16 O ATOM 1654 CG2 THR B 2 5.704 -1.558 1.842 1.00 25.56 C ATOM 1655 HA THR B 2 5.779 -0.528 -0.733 1.00 0.00 H ATOM 1656 HB THR B 2 7.519 -2.372 1.019 1.00 0.00 H ATOM 1657 HG1 THR B 2 5.610 -3.809 0.603 1.00 0.00 H ATOM 1658 HG23 THR B 2 6.244 -0.788 2.393 1.00 0.00 H ATOM 1659 HG21 THR B 2 4.763 -1.150 1.472 1.00 0.00 H ATOM 1660 HG22 THR B 2 5.501 -2.403 2.500 1.00 0.00 H ATOM 1661 H THR B 2 8.464 -1.801 -1.223 1.00 0.00 H ATOM 1662 N TYR B 3 6.671 1.355 0.599 1.00 10.71 N ATOM 1663 CA TYR B 3 7.203 2.506 1.318 1.00 14.71 C ATOM 1664 C TYR B 3 6.450 2.504 2.642 1.00 14.90 C ATOM 1665 O TYR B 3 5.220 2.603 2.644 1.00 13.68 O ATOM 1666 CB TYR B 3 6.788 3.795 0.600 1.00 11.38 C ATOM 1667 CG TYR B 3 7.456 3.871 -0.755 1.00 16.09 C ATOM 1668 CD1 TYR B 3 6.837 3.327 -1.857 1.00 15.61 C ATOM 1669 CD2 TYR B 3 8.668 4.566 -0.846 1.00 14.55 C ATOM 1670 CE1 TYR B 3 7.481 3.408 -3.074 1.00 20.54 C ATOM 1671 CE2 TYR B 3 9.311 4.670 -2.073 1.00 16.82 C ATOM 1672 CZ TYR B 3 8.711 4.055 -3.150 1.00 17.60 C ATOM 1673 OH TYR B 3 9.284 4.109 -4.394 1.00 21.71 O ATOM 1674 HA TYR B 3 8.288 2.458 1.407 1.00 0.00 H ATOM 1675 HB3 TYR B 3 7.088 4.655 1.199 1.00 0.00 H ATOM 1676 HB2 TYR B 3 5.706 3.804 0.470 1.00 0.00 H ATOM 1677 HD2 TYR B 3 9.105 5.023 0.042 1.00 0.00 H ATOM 1678 HE2 TYR B 3 10.249 5.214 -2.179 1.00 0.00 H ATOM 1679 HE1 TYR B 3 7.032 2.971 -3.966 1.00 0.00 H ATOM 1680 HD1 TYR B 3 5.863 2.845 -1.770 1.00 0.00 H ATOM 1681 HH TYR B 3 10.183 3.696 -4.360 1.00 0.00 H ATOM 1682 H TYR B 3 5.687 1.380 0.262 1.00 0.00 H ATOM 1683 N ASN B 4 7.167 2.413 3.713 1.00 12.85 N ATOM 1684 CA ASN B 4 6.687 2.338 5.088 1.00 12.50 C ATOM 1685 C ASN B 4 6.538 3.710 5.751 1.00 8.85 C ATOM 1686 O ASN B 4 6.198 3.803 6.943 1.00 13.24 O ATOM 1687 CB ASN B 4 7.556 1.440 5.969 1.00 14.03 C ATOM 1688 CG ASN B 4 8.991 1.886 6.272 1.00 20.10 C ATOM 1689 OD1 ASN B 4 9.470 2.995 5.965 1.00 18.81 O ATOM 1690 ND2 ASN B 4 9.785 1.043 6.944 1.00 15.27 N ATOM 1691 HA ASN B 4 5.696 1.892 5.006 1.00 0.00 H ATOM 1692 HB2 ASN B 4 7.043 1.332 6.925 1.00 0.00 H ATOM 1693 HB3 ASN B 4 7.617 0.468 5.479 1.00 0.00 H ATOM 1694 HD22 ASN B 4 9.431 0.106 7.223 1.00 0.00 H ATOM 1695 HD21 ASN B 4 10.756 1.325 7.187 1.00 0.00 H ATOM 1696 H ASN B 4 8.198 2.391 3.580 1.00 0.00 H ATOM 1697 N LEU B 5 6.853 4.744 4.944 1.00 9.01 N ATOM 1698 CA LEU B 5 6.662 6.132 5.378 1.00 8.40 C ATOM 1699 C LEU B 5 7.511 6.687 6.475 1.00 10.08 C ATOM 1700 O LEU B 5 7.320 7.827 6.915 1.00 9.80 O ATOM 1701 CB LEU B 5 5.143 6.442 5.554 1.00 10.74 C ATOM 1702 CG LEU B 5 4.229 5.900 4.464 1.00 14.61 C ATOM 1703 CD1 LEU B 5 2.730 5.961 4.809 1.00 12.84 C ATOM 1704 CD2 LEU B 5 4.499 6.582 3.144 1.00 10.96 C ATOM 1705 HA LEU B 5 7.077 6.700 4.546 1.00 0.00 H ATOM 1706 HB2 LEU B 5 4.822 6.015 6.504 1.00 0.00 H ATOM 1707 HB3 LEU B 5 5.023 7.525 5.584 1.00 0.00 H ATOM 1708 HG LEU B 5 4.472 4.841 4.381 1.00 0.00 H ATOM 1709 HD21 LEU B 5 4.324 7.653 3.247 1.00 0.00 H ATOM 1710 HD22 LEU B 5 5.535 6.408 2.852 1.00 0.00 H ATOM 1711 HD23 LEU B 5 3.832 6.176 2.383 1.00 0.00 H ATOM 1712 HD11 LEU B 5 2.541 5.373 5.707 1.00 0.00 H ATOM 1713 HD12 LEU B 5 2.441 6.997 4.984 1.00 0.00 H ATOM 1714 HD13 LEU B 5 2.151 5.556 3.979 1.00 0.00 H ATOM 1715 H LEU B 5 7.238 4.554 3.997 1.00 0.00 H ATOM 1716 N GLU B 6 8.624 5.999 6.817 1.00 9.67 N ATOM 1717 CA GLU B 6 9.647 6.534 7.707 1.00 11.66 C ATOM 1718 C GLU B 6 10.345 7.719 7.002 1.00 11.08 C ATOM 1719 O GLU B 6 10.805 8.631 7.689 1.00 15.20 O ATOM 1720 CB GLU B 6 10.787 5.541 7.903 1.00 11.18 C ATOM 1721 CG GLU B 6 10.274 4.547 8.962 1.00 17.93 C ATOM 1722 CD GLU B 6 11.193 3.317 8.829 1.00 30.15 C ATOM 1723 OE1 GLU B 6 11.972 3.341 7.840 1.00 28.53 O ATOM 1724 OE2 GLU B 6 11.010 2.471 9.712 1.00 23.51 O ATOM 1725 HA GLU B 6 9.150 6.785 8.644 1.00 0.00 H ATOM 1726 HB2 GLU B 6 11.010 5.025 6.969 1.00 0.00 H ATOM 1727 HB3 GLU B 6 11.683 6.051 8.258 1.00 0.00 H ATOM 1728 HG2 GLU B 6 10.350 4.977 9.961 1.00 0.00 H ATOM 1729 HG3 GLU B 6 9.237 4.275 8.763 1.00 0.00 H ATOM 1730 H GLU B 6 8.756 5.044 6.427 1.00 0.00 H ATOM 1731 N LYS B 7 10.396 7.656 5.685 1.00 11.15 N ATOM 1732 CA LYS B 7 10.995 8.769 4.917 1.00 9.81 C ATOM 1733 C LYS B 7 10.008 9.211 3.860 1.00 9.65 C ATOM 1734 O LYS B 7 8.951 8.556 3.618 1.00 10.16 O ATOM 1735 CB LYS B 7 12.363 8.351 4.381 1.00 22.67 C ATOM 1736 CG LYS B 7 13.321 8.355 5.597 1.00 28.71 C ATOM 1737 CD LYS B 7 14.740 8.436 5.064 1.00 40.56 C ATOM 1738 CE LYS B 7 15.713 8.832 6.165 1.00 43.84 C ATOM 1739 NZ LYS B 7 17.102 8.434 5.746 1.00 52.59 N ATOM 1740 HA LYS B 7 11.187 9.638 5.546 1.00 0.00 H ATOM 1741 HB2 LYS B 7 12.310 7.354 3.944 1.00 0.00 H ATOM 1742 HB3 LYS B 7 12.706 9.059 3.626 1.00 0.00 H ATOM 1743 HG2 LYS B 7 13.112 9.216 6.232 1.00 0.00 H ATOM 1744 HG3 LYS B 7 13.192 7.440 6.175 1.00 0.00 H ATOM 1745 HD2 LYS B 7 15.028 7.463 4.666 1.00 0.00 H ATOM 1746 HD3 LYS B 7 14.780 9.179 4.268 1.00 0.00 H ATOM 1747 HE2 LYS B 7 15.448 8.321 7.091 1.00 0.00 H ATOM 1748 HE3 LYS B 7 15.671 9.910 6.322 1.00 0.00 H ATOM 1749 HZ1 LYS B 7 17.136 7.405 5.596 1.00 0.00 H ATOM 1750 HZ2 LYS B 7 17.350 8.923 4.862 1.00 0.00 H ATOM 1751 HZ3 LYS B 7 17.777 8.700 6.491 1.00 0.00 H ATOM 1752 H LYS B 7 10.016 6.825 5.188 1.00 0.00 H ATOM 1753 N ARG B 8 10.212 10.404 3.229 1.00 9.16 N ATOM 1754 CA ARG B 8 9.177 10.746 2.218 1.00 7.08 C ATOM 1755 C ARG B 8 9.293 9.685 1.111 1.00 10.18 C ATOM 1756 O ARG B 8 10.447 9.340 0.763 1.00 10.39 O ATOM 1757 CB ARG B 8 9.587 12.102 1.616 1.00 9.37 C ATOM 1758 CG ARG B 8 9.606 13.219 2.666 1.00 9.23 C ATOM 1759 CD ARG B 8 9.762 14.603 2.031 1.00 12.93 C ATOM 1760 NE ARG B 8 9.826 15.641 3.044 1.00 12.91 N ATOM 1761 CZ ARG B 8 10.820 16.451 3.357 1.00 22.80 C ATOM 1762 NH1 ARG B 8 11.978 16.266 2.690 1.00 20.86 N ATOM 1763 NH2 ARG B 8 10.642 17.383 4.276 1.00 15.39 N ATOM 1764 HA ARG B 8 8.171 10.784 2.636 1.00 0.00 H ATOM 1765 HB2 ARG B 8 10.584 12.008 1.185 1.00 0.00 H ATOM 1766 HB3 ARG B 8 8.877 12.368 0.833 1.00 0.00 H ATOM 1767 HG2 ARG B 8 8.671 13.192 3.225 1.00 0.00 H ATOM 1768 HG3 ARG B 8 10.440 13.048 3.347 1.00 0.00 H ATOM 1769 HD2 ARG B 8 8.909 14.794 1.379 1.00 0.00 H ATOM 1770 HD3 ARG B 8 10.679 14.623 1.442 1.00 0.00 H ATOM 1771 HE ARG B 8 8.960 15.765 3.607 1.00 0.00 H ATOM 1772 HH12 ARG B 8 12.798 16.873 2.893 1.00 0.00 H ATOM 1773 HH11 ARG B 8 12.051 15.516 1.973 1.00 0.00 H ATOM 1774 HH22 ARG B 8 11.423 18.023 4.525 1.00 0.00 H ATOM 1775 HH21 ARG B 8 9.721 17.477 4.750 1.00 0.00 H ATOM 1776 H ARG B 8 11.023 11.021 3.438 1.00 0.00 H ATOM 1777 N PRO B 9 8.196 9.256 0.553 1.00 10.24 N ATOM 1778 CA PRO B 9 8.199 8.215 -0.490 1.00 8.90 C ATOM 1779 C PRO B 9 8.530 8.870 -1.838 1.00 9.13 C ATOM 1780 O PRO B 9 7.741 9.488 -2.572 1.00 11.60 O ATOM 1781 CB PRO B 9 6.757 7.689 -0.397 1.00 9.42 C ATOM 1782 CG PRO B 9 5.950 8.815 0.144 1.00 9.38 C ATOM 1783 CD PRO B 9 6.838 9.666 1.016 1.00 9.86 C ATOM 1784 HA PRO B 9 8.931 7.415 -0.379 1.00 0.00 H ATOM 1785 HD3 PRO B 9 6.663 10.728 0.845 1.00 0.00 H ATOM 1786 HD2 PRO B 9 6.693 9.440 2.072 1.00 0.00 H ATOM 1787 HG3 PRO B 9 5.121 8.423 0.734 1.00 0.00 H ATOM 1788 HG2 PRO B 9 5.558 9.414 -0.678 1.00 0.00 H ATOM 1789 HB2 PRO B 9 6.393 7.400 -1.383 1.00 0.00 H ATOM 1790 HB3 PRO B 9 6.708 6.830 0.273 1.00 0.00 H ATOM 1791 N THR B 10 9.819 8.727 -2.191 1.00 10.27 N ATOM 1792 CA THR B 10 10.317 9.277 -3.445 1.00 11.02 C ATOM 1793 C THR B 10 10.825 8.159 -4.374 1.00 12.29 C ATOM 1794 O THR B 10 11.268 7.131 -3.861 1.00 12.06 O ATOM 1795 CB THR B 10 11.458 10.297 -3.297 1.00 14.20 C ATOM 1796 OG1 THR B 10 12.586 9.787 -2.548 1.00 12.34 O ATOM 1797 CG2 THR B 10 10.980 11.520 -2.511 1.00 15.63 C ATOM 1798 HA THR B 10 9.455 9.797 -3.863 1.00 0.00 H ATOM 1799 HB THR B 10 11.758 10.534 -4.318 1.00 0.00 H ATOM 1800 HG1 THR B 10 12.290 9.535 -1.638 1.00 0.00 H ATOM 1801 HG23 THR B 10 10.123 11.964 -3.018 1.00 0.00 H ATOM 1802 HG21 THR B 10 10.690 11.214 -1.506 1.00 0.00 H ATOM 1803 HG22 THR B 10 11.787 12.250 -2.451 1.00 0.00 H ATOM 1804 H THR B 10 10.470 8.217 -1.560 1.00 0.00 H ATOM 1805 N THR B 11 10.745 8.479 -5.677 1.00 10.19 N ATOM 1806 CA THR B 11 11.272 7.479 -6.625 1.00 12.21 C ATOM 1807 C THR B 11 11.757 8.229 -7.854 1.00 13.59 C ATOM 1808 O THR B 11 11.429 9.411 -8.019 1.00 15.23 O ATOM 1809 CB THR B 11 10.256 6.414 -7.048 1.00 14.16 C ATOM 1810 OG1 THR B 11 10.983 5.302 -7.574 1.00 15.05 O ATOM 1811 CG2 THR B 11 9.254 6.894 -8.083 1.00 11.76 C ATOM 1812 HA THR B 11 12.071 6.936 -6.121 1.00 0.00 H ATOM 1813 HB THR B 11 9.672 6.148 -6.167 1.00 0.00 H ATOM 1814 HG1 THR B 11 11.587 4.944 -6.876 1.00 0.00 H ATOM 1815 HG23 THR B 11 8.699 7.742 -7.683 1.00 0.00 H ATOM 1816 HG21 THR B 11 9.784 7.198 -8.986 1.00 0.00 H ATOM 1817 HG22 THR B 11 8.563 6.085 -8.320 1.00 0.00 H ATOM 1818 H THR B 11 10.335 9.379 -5.998 1.00 0.00 H ATOM 1819 N ILE B 12 12.592 7.558 -8.651 1.00 10.47 N ATOM 1820 CA ILE B 12 13.064 8.156 -9.894 1.00 8.76 C ATOM 1821 C ILE B 12 12.158 7.685 -11.015 1.00 10.20 C ATOM 1822 O ILE B 12 11.866 6.477 -11.198 1.00 9.75 O ATOM 1823 CB ILE B 12 14.544 7.703 -10.168 1.00 13.75 C ATOM 1824 CG1 ILE B 12 15.319 8.365 -9.024 1.00 15.29 C ATOM 1825 CG2 ILE B 12 14.889 8.148 -11.574 1.00 13.13 C ATOM 1826 CD1 ILE B 12 16.780 8.162 -8.787 1.00 22.11 C ATOM 1827 HA ILE B 12 13.042 9.244 -9.828 1.00 0.00 H ATOM 1828 HB ILE B 12 14.763 6.635 -10.160 1.00 0.00 H ATOM 1829 HG12 ILE B 12 15.186 9.439 -9.157 1.00 0.00 H ATOM 1830 HG13 ILE B 12 14.822 8.049 -8.107 1.00 0.00 H ATOM 1831 HD11 ILE B 12 16.975 7.104 -8.611 1.00 0.00 H ATOM 1832 HD12 ILE B 12 17.338 8.495 -9.662 1.00 0.00 H ATOM 1833 HD13 ILE B 12 17.089 8.740 -7.916 1.00 0.00 H ATOM 1834 HG21 ILE B 12 14.204 7.679 -12.281 1.00 0.00 H ATOM 1835 HG22 ILE B 12 14.798 9.232 -11.643 1.00 0.00 H ATOM 1836 HG23 ILE B 12 15.912 7.853 -11.806 1.00 0.00 H ATOM 1837 H ILE B 12 12.907 6.604 -8.384 1.00 0.00 H ATOM 1838 N VAL B 13 11.660 8.600 -11.821 1.00 8.69 N ATOM 1839 CA VAL B 13 10.817 8.277 -12.981 1.00 11.64 C ATOM 1840 C VAL B 13 11.423 8.967 -14.211 1.00 12.40 C ATOM 1841 O VAL B 13 12.136 9.992 -14.118 1.00 13.68 O ATOM 1842 CB VAL B 13 9.327 8.666 -12.982 1.00 13.62 C ATOM 1843 CG1 VAL B 13 8.548 7.947 -11.872 1.00 16.92 C ATOM 1844 CG2 VAL B 13 9.047 10.154 -12.849 1.00 9.80 C ATOM 1845 HA VAL B 13 10.816 7.187 -12.966 1.00 0.00 H ATOM 1846 HB VAL B 13 8.991 8.352 -13.970 1.00 0.00 H ATOM 1847 HG11 VAL B 13 8.621 6.869 -12.018 1.00 0.00 H ATOM 1848 HG12 VAL B 13 8.970 8.212 -10.903 1.00 0.00 H ATOM 1849 HG13 VAL B 13 7.502 8.250 -11.909 1.00 0.00 H ATOM 1850 HG21 VAL B 13 9.463 10.518 -11.910 1.00 0.00 H ATOM 1851 HG22 VAL B 13 9.508 10.685 -13.682 1.00 0.00 H ATOM 1852 HG23 VAL B 13 7.970 10.322 -12.860 1.00 0.00 H ATOM 1853 H VAL B 13 11.874 9.599 -11.627 1.00 0.00 H ATOM 1854 N LEU B 14 11.153 8.479 -15.429 1.00 12.11 N ATOM 1855 CA LEU B 14 11.675 9.252 -16.578 1.00 13.98 C ATOM 1856 C LEU B 14 10.495 10.094 -17.084 1.00 9.94 C ATOM 1857 O LEU B 14 9.462 9.526 -17.330 1.00 10.27 O ATOM 1858 CB LEU B 14 12.144 8.380 -17.785 1.00 18.49 C ATOM 1859 CG LEU B 14 13.449 7.607 -17.438 1.00 18.42 C ATOM 1860 CD1 LEU B 14 13.735 6.481 -18.423 1.00 22.44 C ATOM 1861 CD2 LEU B 14 14.640 8.549 -17.417 1.00 18.50 C ATOM 1862 HA LEU B 14 12.542 9.815 -16.233 1.00 0.00 H ATOM 1863 HB2 LEU B 14 11.361 7.664 -18.034 1.00 0.00 H ATOM 1864 HB3 LEU B 14 12.329 9.027 -18.642 1.00 0.00 H ATOM 1865 HG LEU B 14 13.295 7.171 -16.451 1.00 0.00 H ATOM 1866 HD21 LEU B 14 14.753 9.011 -18.398 1.00 0.00 H ATOM 1867 HD22 LEU B 14 14.477 9.322 -16.666 1.00 0.00 H ATOM 1868 HD23 LEU B 14 15.542 7.987 -17.172 1.00 0.00 H ATOM 1869 HD11 LEU B 14 12.908 5.771 -18.411 1.00 0.00 H ATOM 1870 HD12 LEU B 14 13.845 6.896 -19.425 1.00 0.00 H ATOM 1871 HD13 LEU B 14 14.656 5.974 -18.136 1.00 0.00 H ATOM 1872 H LEU B 14 10.606 7.604 -15.560 1.00 0.00 H ATOM 1873 N ILE B 15 10.625 11.440 -17.157 1.00 11.74 N ATOM 1874 CA ILE B 15 9.554 12.225 -17.727 1.00 10.95 C ATOM 1875 C ILE B 15 10.168 12.798 -19.006 1.00 11.54 C ATOM 1876 O ILE B 15 11.235 13.463 -18.925 1.00 10.97 O ATOM 1877 CB ILE B 15 9.140 13.340 -16.745 1.00 13.59 C ATOM 1878 CG1 ILE B 15 8.643 12.603 -15.503 1.00 13.47 C ATOM 1879 CG2 ILE B 15 8.091 14.214 -17.463 1.00 14.00 C ATOM 1880 CD1 ILE B 15 8.230 13.354 -14.241 1.00 19.62 C ATOM 1881 HA ILE B 15 8.649 11.651 -17.929 1.00 0.00 H ATOM 1882 HB ILE B 15 9.930 14.025 -16.435 1.00 0.00 H ATOM 1883 HG12 ILE B 15 7.773 12.025 -15.816 1.00 0.00 H ATOM 1884 HG13 ILE B 15 9.442 11.923 -15.208 1.00 0.00 H ATOM 1885 HD11 ILE B 15 9.078 13.927 -13.867 1.00 0.00 H ATOM 1886 HD12 ILE B 15 7.407 14.030 -14.475 1.00 0.00 H ATOM 1887 HD13 ILE B 15 7.910 12.639 -13.483 1.00 0.00 H ATOM 1888 HG21 ILE B 15 8.531 14.640 -18.365 1.00 0.00 H ATOM 1889 HG22 ILE B 15 7.231 13.600 -17.732 1.00 0.00 H ATOM 1890 HG23 ILE B 15 7.772 15.017 -16.798 1.00 0.00 H ATOM 1891 H ILE B 15 11.487 11.904 -16.806 1.00 0.00 H ATOM 1892 N ASN B 16 9.600 12.593 -20.154 1.00 12.80 N ATOM 1893 CA ASN B 16 10.141 13.091 -21.434 1.00 16.30 C ATOM 1894 C ASN B 16 11.648 12.797 -21.470 1.00 16.52 C ATOM 1895 O ASN B 16 12.519 13.643 -21.675 1.00 14.68 O ATOM 1896 CB ASN B 16 9.932 14.595 -21.654 1.00 12.32 C ATOM 1897 CG ASN B 16 8.463 14.928 -21.890 1.00 10.23 C ATOM 1898 OD1 ASN B 16 7.637 14.001 -21.846 1.00 15.89 O ATOM 1899 ND2 ASN B 16 8.111 16.183 -22.177 1.00 11.66 N ATOM 1900 HA ASN B 16 9.598 12.579 -22.228 1.00 0.00 H ATOM 1901 HB2 ASN B 16 10.280 15.134 -20.773 1.00 0.00 H ATOM 1902 HB3 ASN B 16 10.510 14.910 -22.523 1.00 0.00 H ATOM 1903 HD22 ASN B 16 8.832 16.932 -22.204 1.00 0.00 H ATOM 1904 HD21 ASN B 16 7.116 16.412 -22.373 1.00 0.00 H ATOM 1905 H ASN B 16 8.715 12.048 -20.174 1.00 0.00 H ATOM 1906 N ASP B 17 11.988 11.544 -21.206 1.00 17.65 N ATOM 1907 CA ASP B 17 13.361 11.056 -21.215 1.00 20.34 C ATOM 1908 C ASP B 17 14.369 11.622 -20.242 1.00 18.65 C ATOM 1909 O ASP B 17 15.577 11.563 -20.446 1.00 19.35 O ATOM 1910 CB ASP B 17 14.062 11.513 -22.520 1.00 25.78 C ATOM 1911 CG ASP B 17 13.829 10.445 -23.562 1.00 34.46 C ATOM 1912 OD1 ASP B 17 12.817 9.737 -23.407 1.00 35.75 O ATOM 1913 OD2 ASP B 17 14.693 10.388 -24.465 1.00 47.45 O ATOM 1914 HA ASP B 17 13.175 10.001 -21.014 1.00 0.00 H ATOM 1915 HB2 ASP B 17 13.640 12.460 -22.857 1.00 0.00 H ATOM 1916 HB3 ASP B 17 15.131 11.635 -22.345 1.00 0.00 H ATOM 1917 H ASP B 17 11.230 10.869 -20.979 1.00 0.00 H ATOM 1918 N THR B 18 13.929 12.217 -19.167 1.00 13.83 N ATOM 1919 CA THR B 18 14.809 12.856 -18.208 1.00 13.09 C ATOM 1920 C THR B 18 14.512 12.240 -16.853 1.00 15.66 C ATOM 1921 O THR B 18 13.342 12.286 -16.457 1.00 14.18 O ATOM 1922 CB THR B 18 14.262 14.306 -18.120 1.00 13.73 C ATOM 1923 OG1 THR B 18 14.134 14.829 -19.478 1.00 17.17 O ATOM 1924 CG2 THR B 18 15.132 15.205 -17.312 1.00 14.96 C ATOM 1925 HA THR B 18 15.864 12.776 -18.471 1.00 0.00 H ATOM 1926 HB THR B 18 13.296 14.275 -17.615 1.00 0.00 H ATOM 1927 HG1 THR B 18 13.508 14.259 -19.992 1.00 0.00 H ATOM 1928 HG23 THR B 18 15.223 14.808 -16.301 1.00 0.00 H ATOM 1929 HG21 THR B 18 16.119 15.262 -17.771 1.00 0.00 H ATOM 1930 HG22 THR B 18 14.689 16.200 -17.275 1.00 0.00 H ATOM 1931 H THR B 18 12.904 12.234 -18.991 1.00 0.00 H ATOM 1932 N PRO B 19 15.509 11.670 -16.222 1.00 16.96 N ATOM 1933 CA PRO B 19 15.344 11.056 -14.892 1.00 14.69 C ATOM 1934 C PRO B 19 15.084 12.146 -13.852 1.00 13.55 C ATOM 1935 O PRO B 19 15.849 13.138 -13.729 1.00 13.89 O ATOM 1936 CB PRO B 19 16.584 10.183 -14.740 1.00 16.29 C ATOM 1937 CG PRO B 19 17.617 10.884 -15.584 1.00 19.89 C ATOM 1938 CD PRO B 19 16.882 11.570 -16.712 1.00 18.58 C ATOM 1939 HA PRO B 19 14.474 10.415 -14.751 1.00 0.00 H ATOM 1940 HD3 PRO B 19 17.299 12.558 -16.904 1.00 0.00 H ATOM 1941 HD2 PRO B 19 16.927 10.975 -17.624 1.00 0.00 H ATOM 1942 HG3 PRO B 19 18.326 10.160 -15.986 1.00 0.00 H ATOM 1943 HG2 PRO B 19 18.152 11.620 -14.984 1.00 0.00 H ATOM 1944 HB2 PRO B 19 16.900 10.134 -13.698 1.00 0.00 H ATOM 1945 HB3 PRO B 19 16.398 9.175 -15.110 1.00 0.00 H ATOM 1946 N LEU B 20 13.934 12.013 -13.131 1.00 11.45 N ATOM 1947 CA LEU B 20 13.650 13.054 -12.104 1.00 9.55 C ATOM 1948 C LEU B 20 13.226 12.355 -10.811 1.00 12.10 C ATOM 1949 O LEU B 20 12.498 11.376 -10.929 1.00 14.14 O ATOM 1950 CB LEU B 20 12.396 13.866 -12.518 1.00 11.59 C ATOM 1951 CG LEU B 20 12.594 14.846 -13.703 1.00 15.87 C ATOM 1952 CD1 LEU B 20 11.318 15.627 -14.030 1.00 16.16 C ATOM 1953 CD2 LEU B 20 13.653 15.846 -13.313 1.00 14.97 C ATOM 1954 HA LEU B 20 14.536 13.679 -11.994 1.00 0.00 H ATOM 1955 HB2 LEU B 20 11.614 13.159 -12.794 1.00 0.00 H ATOM 1956 HB3 LEU B 20 12.071 14.445 -11.654 1.00 0.00 H ATOM 1957 HG LEU B 20 12.874 14.261 -14.579 1.00 0.00 H ATOM 1958 HD21 LEU B 20 13.328 16.390 -12.426 1.00 0.00 H ATOM 1959 HD22 LEU B 20 14.585 15.322 -13.099 1.00 0.00 H ATOM 1960 HD23 LEU B 20 13.809 16.547 -14.133 1.00 0.00 H ATOM 1961 HD11 LEU B 20 10.525 14.929 -14.297 1.00 0.00 H ATOM 1962 HD12 LEU B 20 11.015 16.207 -13.158 1.00 0.00 H ATOM 1963 HD13 LEU B 20 11.509 16.299 -14.867 1.00 0.00 H ATOM 1964 H LEU B 20 13.283 11.218 -13.291 1.00 0.00 H ATOM 1965 N ASN B 21 13.556 12.877 -9.638 1.00 12.47 N ATOM 1966 CA ASN B 21 13.163 12.315 -8.341 1.00 15.57 C ATOM 1967 C ASN B 21 11.806 12.996 -8.046 1.00 13.82 C ATOM 1968 O ASN B 21 11.754 14.221 -8.192 1.00 17.09 O ATOM 1969 CB ASN B 21 14.055 12.678 -7.165 1.00 27.04 C ATOM 1970 CG ASN B 21 14.010 11.669 -6.016 1.00 41.42 C ATOM 1971 OD1 ASN B 21 14.385 10.477 -6.072 1.00 41.71 O ATOM 1972 ND2 ASN B 21 13.539 12.200 -4.880 1.00 48.36 N ATOM 1973 HA ASN B 21 13.186 11.228 -8.423 1.00 0.00 H ATOM 1974 HB2 ASN B 21 15.083 12.746 -7.522 1.00 0.00 H ATOM 1975 HB3 ASN B 21 13.740 13.649 -6.782 1.00 0.00 H ATOM 1976 HD22 ASN B 21 13.233 13.194 -4.858 1.00 0.00 H ATOM 1977 HD21 ASN B 21 13.479 11.618 -4.020 1.00 0.00 H ATOM 1978 H ASN B 21 14.132 13.743 -9.637 1.00 0.00 H ATOM 1979 N VAL B 22 10.811 12.175 -7.788 1.00 11.32 N ATOM 1980 CA VAL B 22 9.446 12.683 -7.586 1.00 8.25 C ATOM 1981 C VAL B 22 8.822 12.220 -6.281 1.00 11.67 C ATOM 1982 O VAL B 22 9.234 11.153 -5.848 1.00 9.75 O ATOM 1983 CB VAL B 22 8.502 12.242 -8.720 1.00 10.93 C ATOM 1984 CG1 VAL B 22 9.095 12.696 -10.061 1.00 8.57 C ATOM 1985 CG2 VAL B 22 8.229 10.783 -8.895 1.00 11.20 C ATOM 1986 HA VAL B 22 9.557 13.767 -7.569 1.00 0.00 H ATOM 1987 HB VAL B 22 7.557 12.698 -8.426 1.00 0.00 H ATOM 1988 HG11 VAL B 22 9.195 13.781 -10.064 1.00 0.00 H ATOM 1989 HG12 VAL B 22 10.075 12.239 -10.197 1.00 0.00 H ATOM 1990 HG13 VAL B 22 8.434 12.389 -10.872 1.00 0.00 H ATOM 1991 HG21 VAL B 22 9.165 10.261 -9.093 1.00 0.00 H ATOM 1992 HG22 VAL B 22 7.776 10.388 -7.986 1.00 0.00 H ATOM 1993 HG23 VAL B 22 7.548 10.640 -9.734 1.00 0.00 H ATOM 1994 H VAL B 22 10.992 11.153 -7.726 1.00 0.00 H ATOM 1995 N LEU B 23 7.883 12.951 -5.700 1.00 9.00 N ATOM 1996 CA LEU B 23 7.270 12.575 -4.440 1.00 7.80 C ATOM 1997 C LEU B 23 6.012 11.807 -4.811 1.00 9.25 C ATOM 1998 O LEU B 23 5.265 12.315 -5.684 1.00 9.04 O ATOM 1999 CB LEU B 23 6.926 13.854 -3.670 1.00 9.04 C ATOM 2000 CG LEU B 23 6.071 13.639 -2.409 1.00 11.07 C ATOM 2001 CD1 LEU B 23 6.831 12.844 -1.367 1.00 11.91 C ATOM 2002 CD2 LEU B 23 5.674 14.975 -1.783 1.00 12.18 C ATOM 2003 HA LEU B 23 7.920 11.967 -3.810 1.00 0.00 H ATOM 2004 HB2 LEU B 23 7.859 14.331 -3.370 1.00 0.00 H ATOM 2005 HB3 LEU B 23 6.380 14.517 -4.341 1.00 0.00 H ATOM 2006 HG LEU B 23 5.180 13.092 -2.719 1.00 0.00 H ATOM 2007 HD21 LEU B 23 6.573 15.527 -1.507 1.00 0.00 H ATOM 2008 HD22 LEU B 23 5.097 15.555 -2.503 1.00 0.00 H ATOM 2009 HD23 LEU B 23 5.070 14.793 -0.894 1.00 0.00 H ATOM 2010 HD11 LEU B 23 7.099 11.871 -1.779 1.00 0.00 H ATOM 2011 HD12 LEU B 23 7.736 13.384 -1.089 1.00 0.00 H ATOM 2012 HD13 LEU B 23 6.203 12.707 -0.487 1.00 0.00 H ATOM 2013 H LEU B 23 7.573 13.828 -6.165 1.00 0.00 H ATOM 2014 N LEU B 24 5.695 10.663 -4.226 1.00 7.36 N ATOM 2015 CA LEU B 24 4.476 9.882 -4.491 1.00 6.52 C ATOM 2016 C LEU B 24 3.467 10.365 -3.420 1.00 8.82 C ATOM 2017 O LEU B 24 3.629 10.141 -2.208 1.00 9.86 O ATOM 2018 CB LEU B 24 4.753 8.395 -4.254 1.00 11.46 C ATOM 2019 CG LEU B 24 5.982 7.973 -5.123 1.00 13.77 C ATOM 2020 CD1 LEU B 24 6.307 6.503 -4.866 1.00 10.62 C ATOM 2021 CD2 LEU B 24 5.618 8.233 -6.546 1.00 7.38 C ATOM 2022 HA LEU B 24 4.120 10.010 -5.513 1.00 0.00 H ATOM 2023 HB2 LEU B 24 4.972 8.225 -3.200 1.00 0.00 H ATOM 2024 HB3 LEU B 24 3.881 7.808 -4.541 1.00 0.00 H ATOM 2025 HG LEU B 24 6.878 8.541 -4.871 1.00 0.00 H ATOM 2026 HD21 LEU B 24 4.739 7.644 -6.808 1.00 0.00 H ATOM 2027 HD22 LEU B 24 5.399 9.293 -6.676 1.00 0.00 H ATOM 2028 HD23 LEU B 24 6.451 7.951 -7.190 1.00 0.00 H ATOM 2029 HD11 LEU B 24 6.542 6.363 -3.811 1.00 0.00 H ATOM 2030 HD12 LEU B 24 5.446 5.890 -5.132 1.00 0.00 H ATOM 2031 HD13 LEU B 24 7.164 6.210 -5.473 1.00 0.00 H ATOM 2032 H LEU B 24 6.361 10.285 -3.522 1.00 0.00 H ATOM 2033 N ASP B 25 2.496 11.097 -3.898 1.00 5.86 N ATOM 2034 CA ASP B 25 1.587 11.814 -3.002 1.00 4.80 C ATOM 2035 C ASP B 25 0.105 11.505 -3.093 1.00 8.52 C ATOM 2036 O ASP B 25 -0.619 11.953 -3.992 1.00 10.00 O ATOM 2037 CB ASP B 25 1.850 13.315 -3.294 1.00 3.40 C ATOM 2038 CG ASP B 25 1.172 14.305 -2.343 1.00 12.91 C ATOM 2039 OD1 ASP B 25 0.497 13.815 -1.403 1.00 8.15 O ATOM 2040 OD2 ASP B 25 1.288 15.485 -2.699 1.00 14.57 O ATOM 2041 HA ASP B 25 1.808 11.490 -1.985 1.00 0.00 H ATOM 2042 HB2 ASP B 25 2.926 13.483 -3.242 1.00 0.00 H ATOM 2043 HB3 ASP B 25 1.499 13.527 -4.304 1.00 0.00 H ATOM 2044 H ASP B 25 2.367 11.171 -4.927 1.00 0.00 H ATOM 2045 N THR B 26 -0.328 10.715 -2.098 1.00 7.24 N ATOM 2046 CA THR B 26 -1.784 10.360 -2.087 1.00 7.98 C ATOM 2047 C THR B 26 -2.676 11.563 -1.757 1.00 6.46 C ATOM 2048 O THR B 26 -3.894 11.397 -1.976 1.00 10.35 O ATOM 2049 CB THR B 26 -2.122 9.238 -1.098 1.00 7.09 C ATOM 2050 OG1 THR B 26 -1.713 9.651 0.225 1.00 6.74 O ATOM 2051 CG2 THR B 26 -1.270 8.005 -1.403 1.00 7.81 C ATOM 2052 HA THR B 26 -1.986 10.016 -3.101 1.00 0.00 H ATOM 2053 HB THR B 26 -3.189 9.025 -1.170 1.00 0.00 H ATOM 2054 HG1 THR B 26 -2.196 10.478 0.475 1.00 0.00 H ATOM 2055 HG23 THR B 26 -1.521 7.628 -2.395 1.00 0.00 H ATOM 2056 HG21 THR B 26 -0.215 8.277 -1.372 1.00 0.00 H ATOM 2057 HG22 THR B 26 -1.469 7.234 -0.659 1.00 0.00 H ATOM 2058 H THR B 26 0.320 10.364 -1.365 1.00 0.00 H ATOM 2059 N GLY B 27 -2.183 12.650 -1.192 1.00 5.38 N ATOM 2060 CA GLY B 27 -2.985 13.826 -0.917 1.00 4.78 C ATOM 2061 C GLY B 27 -3.029 14.790 -2.078 1.00 7.49 C ATOM 2062 O GLY B 27 -3.554 15.878 -1.910 1.00 13.66 O ATOM 2063 HA3 GLY B 27 -2.564 14.340 -0.053 1.00 0.00 H ATOM 2064 HA2 GLY B 27 -4.002 13.508 -0.689 1.00 0.00 H ATOM 2065 H GLY B 27 -1.176 12.663 -0.933 1.00 0.00 H ATOM 2066 N ALA B 28 -2.528 14.506 -3.282 1.00 7.42 N ATOM 2067 CA ALA B 28 -2.537 15.403 -4.426 1.00 8.21 C ATOM 2068 C ALA B 28 -3.501 14.807 -5.438 1.00 9.20 C ATOM 2069 O ALA B 28 -3.381 13.608 -5.774 1.00 9.49 O ATOM 2070 CB ALA B 28 -1.114 15.564 -5.008 1.00 8.02 C ATOM 2071 HA ALA B 28 -2.860 16.405 -4.143 1.00 0.00 H ATOM 2072 HB1 ALA B 28 -0.455 15.975 -4.244 1.00 0.00 H ATOM 2073 HB2 ALA B 28 -0.741 14.591 -5.327 1.00 0.00 H ATOM 2074 HB3 ALA B 28 -1.147 16.240 -5.863 1.00 0.00 H ATOM 2075 H ALA B 28 -2.097 13.569 -3.412 1.00 0.00 H ATOM 2076 N ASP B 29 -4.542 15.588 -5.807 1.00 7.94 N ATOM 2077 CA ASP B 29 -5.485 15.046 -6.793 1.00 11.75 C ATOM 2078 C ASP B 29 -4.900 14.874 -8.184 1.00 13.78 C ATOM 2079 O ASP B 29 -5.334 13.997 -8.928 1.00 15.02 O ATOM 2080 CB ASP B 29 -6.689 15.954 -7.019 1.00 10.73 C ATOM 2081 CG ASP B 29 -7.586 16.090 -5.802 1.00 12.55 C ATOM 2082 OD1 ASP B 29 -7.534 15.302 -4.828 1.00 12.31 O ATOM 2083 OD2 ASP B 29 -8.461 16.999 -5.899 1.00 14.31 O ATOM 2084 HA ASP B 29 -5.753 14.087 -6.351 1.00 0.00 H ATOM 2085 HB2 ASP B 29 -6.327 16.945 -7.293 1.00 0.00 H ATOM 2086 HB3 ASP B 29 -7.280 15.545 -7.839 1.00 0.00 H ATOM 2087 H ASP B 29 -4.670 16.539 -5.406 1.00 0.00 H ATOM 2088 N THR B 30 -3.875 15.693 -8.406 1.00 11.25 N ATOM 2089 CA THR B 30 -3.278 15.701 -9.724 1.00 11.95 C ATOM 2090 C THR B 30 -1.791 15.911 -9.580 1.00 10.45 C ATOM 2091 O THR B 30 -1.220 16.196 -8.525 1.00 12.26 O ATOM 2092 CB THR B 30 -4.012 16.857 -10.485 1.00 18.67 C ATOM 2093 OG1 THR B 30 -3.602 16.746 -11.853 1.00 24.09 O ATOM 2094 CG2 THR B 30 -3.606 18.208 -9.931 1.00 21.16 C ATOM 2095 HA THR B 30 -3.390 14.770 -10.280 1.00 0.00 H ATOM 2096 HB THR B 30 -5.093 16.777 -10.375 1.00 0.00 H ATOM 2097 HG1 THR B 30 -2.619 16.845 -11.911 1.00 0.00 H ATOM 2098 HG23 THR B 30 -3.922 18.283 -8.891 1.00 0.00 H ATOM 2099 HG21 THR B 30 -2.523 18.313 -9.991 1.00 0.00 H ATOM 2100 HG22 THR B 30 -4.082 18.996 -10.514 1.00 0.00 H ATOM 2101 H THR B 30 -3.513 16.311 -7.652 1.00 0.00 H ATOM 2102 N SER B 31 -1.084 15.606 -10.641 1.00 10.23 N ATOM 2103 CA SER B 31 0.409 15.642 -10.630 1.00 7.21 C ATOM 2104 C SER B 31 0.939 17.005 -11.103 1.00 10.36 C ATOM 2105 O SER B 31 0.384 17.571 -12.040 1.00 13.06 O ATOM 2106 CB SER B 31 0.800 14.560 -11.582 1.00 6.65 C ATOM 2107 OG SER B 31 0.478 13.260 -11.088 1.00 9.91 O ATOM 2108 HA SER B 31 0.821 15.497 -9.631 1.00 0.00 H ATOM 2109 HB2 SER B 31 1.875 14.614 -11.752 1.00 0.00 H ATOM 2110 HB3 SER B 31 0.276 14.716 -12.525 1.00 0.00 H ATOM 2111 HG SER B 31 -0.499 13.198 -10.937 1.00 0.00 H ATOM 2112 H SER B 31 -1.577 15.331 -11.515 1.00 0.00 H ATOM 2113 N VAL B 32 2.036 17.452 -10.517 1.00 7.62 N ATOM 2114 CA VAL B 32 2.601 18.757 -10.834 1.00 8.54 C ATOM 2115 C VAL B 32 4.118 18.705 -10.954 1.00 9.34 C ATOM 2116 O VAL B 32 4.862 18.204 -10.128 1.00 9.46 O ATOM 2117 CB VAL B 32 2.289 19.696 -9.632 1.00 10.23 C ATOM 2118 CG1 VAL B 32 2.675 21.153 -10.005 1.00 9.18 C ATOM 2119 CG2 VAL B 32 0.773 19.691 -9.375 1.00 16.75 C ATOM 2120 HA VAL B 32 2.177 19.096 -11.779 1.00 0.00 H ATOM 2121 HB VAL B 32 2.844 19.353 -8.759 1.00 0.00 H ATOM 2122 HG11 VAL B 32 3.739 21.198 -10.237 1.00 0.00 H ATOM 2123 HG12 VAL B 32 2.099 21.469 -10.875 1.00 0.00 H ATOM 2124 HG13 VAL B 32 2.457 21.812 -9.164 1.00 0.00 H ATOM 2125 HG21 VAL B 32 0.254 20.046 -10.265 1.00 0.00 H ATOM 2126 HG22 VAL B 32 0.448 18.676 -9.144 1.00 0.00 H ATOM 2127 HG23 VAL B 32 0.546 20.347 -8.534 1.00 0.00 H ATOM 2128 H VAL B 32 2.510 16.855 -9.809 1.00 0.00 H ATOM 2129 N LEU B 33 4.587 19.249 -12.051 1.00 11.38 N ATOM 2130 CA LEU B 33 6.052 19.344 -12.280 1.00 9.20 C ATOM 2131 C LEU B 33 6.415 20.767 -11.818 1.00 13.57 C ATOM 2132 O LEU B 33 5.723 21.774 -12.121 1.00 11.09 O ATOM 2133 CB LEU B 33 6.049 19.225 -13.787 1.00 16.70 C ATOM 2134 CG LEU B 33 7.255 19.029 -14.665 1.00 26.40 C ATOM 2135 CD1 LEU B 33 8.011 17.788 -14.165 1.00 23.70 C ATOM 2136 CD2 LEU B 33 6.749 18.904 -16.099 1.00 19.54 C ATOM 2137 HA LEU B 33 6.728 18.642 -11.792 1.00 0.00 H ATOM 2138 HB2 LEU B 33 5.397 18.379 -14.005 1.00 0.00 H ATOM 2139 HB3 LEU B 33 5.582 20.143 -14.144 1.00 0.00 H ATOM 2140 HG LEU B 33 7.958 19.861 -14.631 1.00 0.00 H ATOM 2141 HD21 LEU B 33 6.076 18.050 -16.172 1.00 0.00 H ATOM 2142 HD22 LEU B 33 6.215 19.813 -16.375 1.00 0.00 H ATOM 2143 HD23 LEU B 33 7.596 18.760 -16.770 1.00 0.00 H ATOM 2144 HD11 LEU B 33 8.319 17.944 -13.131 1.00 0.00 H ATOM 2145 HD12 LEU B 33 7.357 16.918 -14.223 1.00 0.00 H ATOM 2146 HD13 LEU B 33 8.891 17.625 -14.787 1.00 0.00 H ATOM 2147 H LEU B 33 3.928 19.617 -12.767 1.00 0.00 H ATOM 2148 N THR B 34 7.567 20.810 -11.144 1.00 10.08 N ATOM 2149 CA THR B 34 8.065 22.147 -10.744 1.00 11.06 C ATOM 2150 C THR B 34 8.555 22.827 -12.022 1.00 13.03 C ATOM 2151 O THR B 34 8.940 22.232 -13.036 1.00 9.79 O ATOM 2152 CB THR B 34 9.195 22.110 -9.721 1.00 10.53 C ATOM 2153 OG1 THR B 34 10.423 21.557 -10.298 1.00 15.54 O ATOM 2154 CG2 THR B 34 8.971 21.270 -8.488 1.00 11.01 C ATOM 2155 HA THR B 34 7.253 22.686 -10.257 1.00 0.00 H ATOM 2156 HB THR B 34 9.254 23.160 -9.435 1.00 0.00 H ATOM 2157 HG1 THR B 34 11.134 21.547 -9.610 1.00 0.00 H ATOM 2158 HG23 THR B 34 8.068 21.607 -7.980 1.00 0.00 H ATOM 2159 HG21 THR B 34 8.859 20.225 -8.777 1.00 0.00 H ATOM 2160 HG22 THR B 34 9.826 21.373 -7.819 1.00 0.00 H ATOM 2161 H THR B 34 8.092 19.943 -10.910 1.00 0.00 H ATOM 2162 N THR B 35 8.511 24.154 -12.094 1.00 9.22 N ATOM 2163 CA THR B 35 9.003 24.861 -13.278 1.00 10.22 C ATOM 2164 C THR B 35 10.502 24.595 -13.568 1.00 10.41 C ATOM 2165 O THR B 35 10.832 24.571 -14.775 1.00 13.92 O ATOM 2166 CB THR B 35 8.864 26.363 -12.962 1.00 14.71 C ATOM 2167 OG1 THR B 35 7.486 26.626 -12.638 1.00 14.35 O ATOM 2168 CG2 THR B 35 9.339 27.183 -14.156 1.00 20.38 C ATOM 2169 HA THR B 35 8.435 24.525 -14.146 1.00 0.00 H ATOM 2170 HB THR B 35 9.483 26.646 -12.111 1.00 0.00 H ATOM 2171 HG1 THR B 35 7.375 27.588 -12.431 1.00 0.00 H ATOM 2172 HG23 THR B 35 10.384 26.950 -14.362 1.00 0.00 H ATOM 2173 HG21 THR B 35 8.732 26.938 -15.028 1.00 0.00 H ATOM 2174 HG22 THR B 35 9.240 28.244 -13.929 1.00 0.00 H ATOM 2175 H THR B 35 8.121 24.698 -11.298 1.00 0.00 H ATOM 2176 N ALA B 36 11.335 24.426 -12.559 1.00 13.02 N ATOM 2177 CA ALA B 36 12.771 24.174 -12.657 1.00 15.74 C ATOM 2178 C ALA B 36 12.907 22.815 -13.358 1.00 17.41 C ATOM 2179 O ALA B 36 13.731 22.731 -14.264 1.00 13.41 O ATOM 2180 CB ALA B 36 13.515 24.072 -11.341 1.00 16.73 C ATOM 2181 HA ALA B 36 13.210 25.024 -13.179 1.00 0.00 H ATOM 2182 HB1 ALA B 36 13.406 25.006 -10.790 1.00 0.00 H ATOM 2183 HB2 ALA B 36 13.101 23.252 -10.754 1.00 0.00 H ATOM 2184 HB3 ALA B 36 14.571 23.884 -11.536 1.00 0.00 H ATOM 2185 H ALA B 36 10.931 24.477 -11.602 1.00 0.00 H ATOM 2186 N HIS B 37 12.072 21.814 -13.026 1.00 14.98 N ATOM 2187 CA HIS B 37 12.133 20.528 -13.715 1.00 13.60 C ATOM 2188 C HIS B 37 11.671 20.630 -15.168 1.00 14.81 C ATOM 2189 O HIS B 37 12.307 20.020 -16.035 1.00 15.30 O ATOM 2190 CB HIS B 37 11.326 19.453 -12.974 1.00 6.51 C ATOM 2191 CG HIS B 37 12.083 18.923 -11.804 1.00 11.01 C ATOM 2192 ND1 HIS B 37 11.537 18.044 -10.884 1.00 16.61 N ATOM 2193 CD2 HIS B 37 13.311 19.234 -11.312 1.00 11.64 C ATOM 2194 CE1 HIS B 37 12.432 17.725 -9.977 1.00 25.04 C ATOM 2195 NE2 HIS B 37 13.535 18.439 -10.198 1.00 17.59 N ATOM 2196 HA HIS B 37 13.182 20.230 -13.720 1.00 0.00 H ATOM 2197 HB2 HIS B 37 10.390 19.888 -12.625 1.00 0.00 H ATOM 2198 HB3 HIS B 37 11.111 18.633 -13.660 1.00 0.00 H ATOM 2199 HD2 HIS B 37 13.997 19.976 -11.720 1.00 0.00 H ATOM 2200 HE1 HIS B 37 12.295 16.997 -9.177 1.00 0.00 H ATOM 2201 H HIS B 37 11.374 21.958 -12.269 1.00 0.00 H ATOM 2202 N TYR B 38 10.626 21.399 -15.482 1.00 11.83 N ATOM 2203 CA TYR B 38 10.077 21.594 -16.819 1.00 12.13 C ATOM 2204 C TYR B 38 11.180 22.190 -17.696 1.00 11.77 C ATOM 2205 O TYR B 38 11.449 21.753 -18.830 1.00 12.56 O ATOM 2206 CB TYR B 38 8.795 22.428 -16.713 1.00 13.07 C ATOM 2207 CG TYR B 38 8.345 22.896 -18.076 1.00 12.66 C ATOM 2208 CD1 TYR B 38 7.542 22.076 -18.849 1.00 15.48 C ATOM 2209 CD2 TYR B 38 8.707 24.171 -18.530 1.00 16.66 C ATOM 2210 CE1 TYR B 38 7.183 22.487 -20.124 1.00 17.00 C ATOM 2211 CE2 TYR B 38 8.328 24.576 -19.796 1.00 16.90 C ATOM 2212 CZ TYR B 38 7.555 23.746 -20.565 1.00 19.76 C ATOM 2213 OH TYR B 38 7.145 24.085 -21.835 1.00 26.38 O ATOM 2214 HA TYR B 38 9.773 20.664 -17.299 1.00 0.00 H ATOM 2215 HB3 TYR B 38 8.984 23.296 -16.081 1.00 0.00 H ATOM 2216 HB2 TYR B 38 8.009 21.820 -16.266 1.00 0.00 H ATOM 2217 HD2 TYR B 38 9.283 24.839 -17.890 1.00 0.00 H ATOM 2218 HE2 TYR B 38 8.641 25.547 -20.179 1.00 0.00 H ATOM 2219 HE1 TYR B 38 6.612 21.824 -20.774 1.00 0.00 H ATOM 2220 HD1 TYR B 38 7.196 21.118 -18.460 1.00 0.00 H ATOM 2221 HH TYR B 38 6.600 23.350 -22.212 1.00 0.00 H ATOM 2222 H TYR B 38 10.161 21.905 -14.702 1.00 0.00 H ATOM 2223 N ASN B 39 11.938 23.128 -17.148 1.00 13.76 N ATOM 2224 CA ASN B 39 13.040 23.775 -17.868 1.00 17.76 C ATOM 2225 C ASN B 39 14.230 22.879 -18.132 1.00 20.92 C ATOM 2226 O ASN B 39 15.071 23.170 -18.977 1.00 23.47 O ATOM 2227 CB ASN B 39 13.561 24.986 -17.095 1.00 15.84 C ATOM 2228 CG ASN B 39 12.519 26.095 -17.097 1.00 20.31 C ATOM 2229 OD1 ASN B 39 12.559 26.954 -16.212 1.00 29.70 O ATOM 2230 ND2 ASN B 39 11.594 26.167 -18.024 1.00 19.44 N ATOM 2231 HA ASN B 39 12.602 24.056 -18.826 1.00 0.00 H ATOM 2232 HB2 ASN B 39 13.775 24.693 -16.067 1.00 0.00 H ATOM 2233 HB3 ASN B 39 14.475 25.349 -17.566 1.00 0.00 H ATOM 2234 HD22 ASN B 39 11.552 25.448 -18.774 1.00 0.00 H ATOM 2235 HD21 ASN B 39 10.902 26.943 -18.009 1.00 0.00 H ATOM 2236 H ASN B 39 11.744 23.417 -16.168 1.00 0.00 H ATOM 2237 N ARG B 40 14.352 21.778 -17.415 1.00 17.09 N ATOM 2238 CA ARG B 40 15.436 20.826 -17.565 1.00 18.21 C ATOM 2239 C ARG B 40 15.039 19.621 -18.412 1.00 17.36 C ATOM 2240 O ARG B 40 15.916 18.799 -18.678 1.00 17.35 O ATOM 2241 CB ARG B 40 15.758 20.231 -16.177 1.00 25.76 C ATOM 2242 CG ARG B 40 16.881 20.839 -15.366 1.00 36.87 C ATOM 2243 CD ARG B 40 16.810 20.368 -13.912 1.00 38.84 C ATOM 2244 NE ARG B 40 17.015 18.941 -13.704 1.00 36.12 N ATOM 2245 CZ ARG B 40 17.133 18.361 -12.514 1.00 42.43 C ATOM 2246 NH1 ARG B 40 17.113 19.049 -11.369 1.00 44.54 N ATOM 2247 NH2 ARG B 40 17.319 17.056 -12.398 1.00 42.89 N ATOM 2248 HA ARG B 40 16.264 21.363 -18.028 1.00 0.00 H ATOM 2249 HB2 ARG B 40 14.851 20.308 -15.577 1.00 0.00 H ATOM 2250 HB3 ARG B 40 16.004 19.180 -16.328 1.00 0.00 H ATOM 2251 HG2 ARG B 40 17.837 20.538 -15.794 1.00 0.00 H ATOM 2252 HG3 ARG B 40 16.797 21.925 -15.396 1.00 0.00 H ATOM 2253 HD2 ARG B 40 15.825 20.626 -13.523 1.00 0.00 H ATOM 2254 HD3 ARG B 40 17.574 20.903 -13.348 1.00 0.00 H ATOM 2255 HE ARG B 40 17.073 18.333 -14.546 1.00 0.00 H ATOM 2256 HH12 ARG B 40 17.209 18.551 -10.461 1.00 0.00 H ATOM 2257 HH11 ARG B 40 17.001 20.083 -11.385 1.00 0.00 H ATOM 2258 HH22 ARG B 40 17.408 16.625 -11.456 1.00 0.00 H ATOM 2259 HH21 ARG B 40 17.376 16.461 -13.249 1.00 0.00 H ATOM 2260 H ARG B 40 13.626 21.580 -16.698 1.00 0.00 H ATOM 2261 N LEU B 41 13.768 19.463 -18.815 1.00 15.18 N ATOM 2262 CA LEU B 41 13.381 18.311 -19.605 1.00 15.89 C ATOM 2263 C LEU B 41 14.138 18.300 -20.928 1.00 16.49 C ATOM 2264 O LEU B 41 14.331 19.342 -21.559 1.00 16.60 O ATOM 2265 CB LEU B 41 11.866 18.339 -19.857 1.00 15.23 C ATOM 2266 CG LEU B 41 10.954 18.234 -18.627 1.00 15.95 C ATOM 2267 CD1 LEU B 41 9.518 18.228 -19.119 1.00 14.92 C ATOM 2268 CD2 LEU B 41 11.140 16.989 -17.737 1.00 13.04 C ATOM 2269 HA LEU B 41 13.632 17.403 -19.056 1.00 0.00 H ATOM 2270 HB2 LEU B 41 11.633 19.277 -20.360 1.00 0.00 H ATOM 2271 HB3 LEU B 41 11.626 17.505 -20.517 1.00 0.00 H ATOM 2272 HG LEU B 41 11.219 19.085 -17.999 1.00 0.00 H ATOM 2273 HD21 LEU B 41 10.951 16.091 -18.326 1.00 0.00 H ATOM 2274 HD22 LEU B 41 12.161 16.966 -17.355 1.00 0.00 H ATOM 2275 HD23 LEU B 41 10.439 17.032 -16.903 1.00 0.00 H ATOM 2276 HD11 LEU B 41 9.318 19.151 -19.663 1.00 0.00 H ATOM 2277 HD12 LEU B 41 9.365 17.375 -19.780 1.00 0.00 H ATOM 2278 HD13 LEU B 41 8.843 18.154 -18.266 1.00 0.00 H ATOM 2279 H LEU B 41 13.054 20.174 -18.558 1.00 0.00 H ATOM 2280 N LYS B 42 14.501 17.129 -21.423 1.00 17.73 N ATOM 2281 CA LYS B 42 15.232 17.009 -22.715 1.00 18.60 C ATOM 2282 C LYS B 42 14.297 17.428 -23.827 1.00 16.41 C ATOM 2283 O LYS B 42 14.757 18.084 -24.773 1.00 16.91 O ATOM 2284 CB LYS B 42 15.673 15.527 -22.853 1.00 18.38 C ATOM 2285 CG LYS B 42 16.516 15.277 -21.602 1.00 35.27 C ATOM 2286 CD LYS B 42 17.553 14.177 -21.597 1.00 42.36 C ATOM 2287 CE LYS B 42 18.233 13.945 -22.941 1.00 45.24 C ATOM 2288 NZ LYS B 42 17.252 13.583 -24.013 1.00 50.76 N ATOM 2289 HA LYS B 42 16.114 17.647 -22.761 1.00 0.00 H ATOM 2290 HB2 LYS B 42 14.807 14.865 -22.877 1.00 0.00 H ATOM 2291 HB3 LYS B 42 16.266 15.381 -23.756 1.00 0.00 H ATOM 2292 HG2 LYS B 42 17.042 16.207 -21.386 1.00 0.00 H ATOM 2293 HG3 LYS B 42 15.820 15.058 -20.792 1.00 0.00 H ATOM 2294 HD2 LYS B 42 18.320 14.435 -20.867 1.00 0.00 H ATOM 2295 HD3 LYS B 42 17.065 13.250 -21.297 1.00 0.00 H ATOM 2296 HE2 LYS B 42 18.954 13.134 -22.835 1.00 0.00 H ATOM 2297 HE3 LYS B 42 18.754 14.857 -23.234 1.00 0.00 H ATOM 2298 HZ1 LYS B 42 16.755 12.710 -23.746 1.00 0.00 H ATOM 2299 HZ2 LYS B 42 16.564 14.354 -24.126 1.00 0.00 H ATOM 2300 HZ3 LYS B 42 17.759 13.435 -24.909 1.00 0.00 H ATOM 2301 H LYS B 42 14.269 16.265 -20.894 1.00 0.00 H ATOM 2302 N TYR B 43 12.991 17.155 -23.701 1.00 12.08 N ATOM 2303 CA TYR B 43 12.046 17.554 -24.717 1.00 14.29 C ATOM 2304 C TYR B 43 10.832 18.158 -23.990 1.00 14.79 C ATOM 2305 O TYR B 43 10.604 17.577 -22.940 1.00 15.61 O ATOM 2306 CB TYR B 43 11.466 16.367 -25.502 1.00 17.12 C ATOM 2307 CG TYR B 43 12.534 15.524 -26.147 1.00 22.17 C ATOM 2308 CD1 TYR B 43 13.185 16.083 -27.267 1.00 29.56 C ATOM 2309 CD2 TYR B 43 12.889 14.260 -25.721 1.00 27.03 C ATOM 2310 CE1 TYR B 43 14.177 15.413 -27.961 1.00 30.60 C ATOM 2311 CE2 TYR B 43 13.881 13.577 -26.424 1.00 36.95 C ATOM 2312 CZ TYR B 43 14.510 14.146 -27.520 1.00 37.87 C ATOM 2313 OH TYR B 43 15.487 13.434 -28.175 1.00 44.34 O ATOM 2314 HA TYR B 43 12.570 18.225 -25.398 1.00 0.00 H ATOM 2315 HB3 TYR B 43 10.806 16.751 -26.280 1.00 0.00 H ATOM 2316 HB2 TYR B 43 10.893 15.742 -24.818 1.00 0.00 H ATOM 2317 HD2 TYR B 43 12.406 13.806 -24.856 1.00 0.00 H ATOM 2318 HE2 TYR B 43 14.168 12.575 -26.105 1.00 0.00 H ATOM 2319 HE1 TYR B 43 14.675 15.865 -28.819 1.00 0.00 H ATOM 2320 HD1 TYR B 43 12.896 17.080 -27.598 1.00 0.00 H ATOM 2321 HH TYR B 43 15.836 13.972 -28.929 1.00 0.00 H ATOM 2322 H TYR B 43 12.653 16.648 -22.858 1.00 0.00 H ATOM 2323 N ARG B 44 10.205 19.141 -24.576 1.00 13.75 N ATOM 2324 CA ARG B 44 9.010 19.743 -23.967 1.00 16.70 C ATOM 2325 C ARG B 44 7.949 19.916 -25.044 1.00 15.80 C ATOM 2326 O ARG B 44 8.311 20.261 -26.171 1.00 16.21 O ATOM 2327 CB ARG B 44 9.349 21.178 -23.501 1.00 19.39 C ATOM 2328 CG ARG B 44 9.868 21.230 -22.088 1.00 30.28 C ATOM 2329 CD ARG B 44 10.452 22.615 -21.792 1.00 32.69 C ATOM 2330 NE ARG B 44 11.519 22.845 -22.762 1.00 35.36 N ATOM 2331 CZ ARG B 44 12.712 22.283 -22.571 1.00 42.22 C ATOM 2332 NH1 ARG B 44 12.950 21.823 -21.338 1.00 42.02 N ATOM 2333 NH2 ARG B 44 13.582 22.306 -23.579 1.00 43.42 N ATOM 2334 HA ARG B 44 8.675 19.110 -23.145 1.00 0.00 H ATOM 2335 HB2 ARG B 44 10.109 21.589 -24.166 1.00 0.00 H ATOM 2336 HB3 ARG B 44 8.446 21.786 -23.563 1.00 0.00 H ATOM 2337 HG2 ARG B 44 9.051 21.028 -21.396 1.00 0.00 H ATOM 2338 HG3 ARG B 44 10.645 20.476 -21.961 1.00 0.00 H ATOM 2339 HD2 ARG B 44 10.854 22.643 -20.779 1.00 0.00 H ATOM 2340 HD3 ARG B 44 9.680 23.377 -21.897 1.00 0.00 H ATOM 2341 HE ARG B 44 11.349 23.443 -23.596 1.00 0.00 H ATOM 2342 HH12 ARG B 44 13.861 21.372 -21.118 1.00 0.00 H ATOM 2343 HH11 ARG B 44 12.224 21.916 -20.599 1.00 0.00 H ATOM 2344 HH22 ARG B 44 14.522 21.877 -23.464 1.00 0.00 H ATOM 2345 HH21 ARG B 44 13.321 22.753 -24.481 1.00 0.00 H ATOM 2346 H ARG B 44 10.555 19.503 -25.486 1.00 0.00 H ATOM 2347 N GLY B 45 6.668 19.725 -24.735 1.00 16.26 N ATOM 2348 CA GLY B 45 5.591 19.934 -25.702 1.00 17.22 C ATOM 2349 C GLY B 45 5.069 21.369 -25.367 1.00 17.75 C ATOM 2350 O GLY B 45 5.685 22.044 -24.556 1.00 19.74 O ATOM 2351 HA3 GLY B 45 4.802 19.193 -25.573 1.00 0.00 H ATOM 2352 HA2 GLY B 45 5.970 19.886 -26.723 1.00 0.00 H ATOM 2353 H GLY B 45 6.425 19.416 -23.772 1.00 0.00 H ATOM 2354 N ARG B 46 3.954 21.712 -25.956 1.00 21.04 N ATOM 2355 CA ARG B 46 3.364 23.019 -25.759 1.00 28.43 C ATOM 2356 C ARG B 46 2.921 23.191 -24.312 1.00 29.55 C ATOM 2357 O ARG B 46 2.891 22.306 -23.457 1.00 27.76 O ATOM 2358 CB ARG B 46 2.282 23.249 -26.788 1.00 26.66 C ATOM 2359 HA ARG B 46 4.102 23.804 -25.923 1.00 0.00 H ATOM 2360 HB2 ARG B 46 2.715 23.194 -27.787 1.00 0.00 H ATOM 2361 HB3 ARG B 46 1.512 22.484 -26.681 1.00 0.00 H ATOM 2362 H ARG B 46 3.479 21.030 -26.581 1.00 0.00 H ATOM 2363 N LYS B 47 2.628 24.448 -24.019 1.00 30.87 N ATOM 2364 CA LYS B 47 2.180 24.870 -22.679 1.00 30.71 C ATOM 2365 C LYS B 47 0.743 25.337 -22.868 1.00 32.12 C ATOM 2366 O LYS B 47 0.437 26.171 -23.744 1.00 34.98 O ATOM 2367 CB LYS B 47 3.247 25.900 -22.430 1.00 37.95 C ATOM 2368 CG LYS B 47 3.857 26.470 -21.199 1.00 48.30 C ATOM 2369 CD LYS B 47 4.884 27.544 -21.525 1.00 54.53 C ATOM 2370 CE LYS B 47 5.288 28.374 -20.317 1.00 60.77 C ATOM 2371 NZ LYS B 47 4.360 29.497 -19.994 1.00 61.52 N ATOM 2372 HA LYS B 47 2.112 24.184 -21.835 1.00 0.00 H ATOM 2373 HB2 LYS B 47 4.106 25.503 -22.971 1.00 0.00 H ATOM 2374 HB3 LYS B 47 2.868 26.780 -22.949 1.00 0.00 H ATOM 2375 HG2 LYS B 47 3.070 26.908 -20.585 1.00 0.00 H ATOM 2376 HG3 LYS B 47 4.346 25.670 -20.644 1.00 0.00 H ATOM 2377 HD2 LYS B 47 5.775 27.061 -21.927 1.00 0.00 H ATOM 2378 HD3 LYS B 47 4.462 28.210 -22.278 1.00 0.00 H ATOM 2379 HE2 LYS B 47 6.276 28.794 -20.508 1.00 0.00 H ATOM 2380 HE3 LYS B 47 5.336 27.713 -19.451 1.00 0.00 H ATOM 2381 HZ1 LYS B 47 4.310 30.148 -20.804 1.00 0.00 H ATOM 2382 HZ2 LYS B 47 3.413 29.116 -19.795 1.00 0.00 H ATOM 2383 HZ3 LYS B 47 4.712 30.007 -19.159 1.00 0.00 H ATOM 2384 H LYS B 47 2.717 25.168 -24.764 1.00 0.00 H ATOM 2385 N TYR B 48 -0.240 24.815 -22.167 1.00 26.20 N ATOM 2386 CA TYR B 48 -1.650 25.174 -22.224 1.00 26.52 C ATOM 2387 C TYR B 48 -1.963 25.896 -20.907 1.00 26.33 C ATOM 2388 O TYR B 48 -1.556 25.405 -19.866 1.00 20.36 O ATOM 2389 CB TYR B 48 -2.566 23.961 -22.286 1.00 28.68 C ATOM 2390 CG TYR B 48 -2.162 23.185 -23.530 1.00 40.93 C ATOM 2391 CD1 TYR B 48 -2.639 23.651 -24.758 1.00 47.62 C ATOM 2392 CD2 TYR B 48 -1.334 22.075 -23.497 1.00 44.16 C ATOM 2393 CE1 TYR B 48 -2.307 22.990 -25.931 1.00 54.39 C ATOM 2394 CE2 TYR B 48 -1.004 21.415 -24.671 1.00 49.90 C ATOM 2395 CZ TYR B 48 -1.484 21.873 -25.884 1.00 55.97 C ATOM 2396 OH TYR B 48 -1.173 21.240 -27.078 1.00 57.06 O ATOM 2397 HA TYR B 48 -1.819 25.773 -23.119 1.00 0.00 H ATOM 2398 HB3 TYR B 48 -3.607 24.277 -22.359 1.00 0.00 H ATOM 2399 HB2 TYR B 48 -2.436 23.344 -21.397 1.00 0.00 H ATOM 2400 HD2 TYR B 48 -0.940 21.719 -22.545 1.00 0.00 H ATOM 2401 HE2 TYR B 48 -0.365 20.533 -24.637 1.00 0.00 H ATOM 2402 HE1 TYR B 48 -2.691 23.346 -26.887 1.00 0.00 H ATOM 2403 HD1 TYR B 48 -3.274 24.536 -24.794 1.00 0.00 H ATOM 2404 HH TYR B 48 -1.610 21.718 -27.827 1.00 0.00 H ATOM 2405 H TYR B 48 0.019 24.062 -21.498 1.00 0.00 H ATOM 2406 N GLN B 49 -2.602 27.056 -20.986 1.00 26.10 N ATOM 2407 CA GLN B 49 -2.879 27.839 -19.781 1.00 25.04 C ATOM 2408 C GLN B 49 -3.780 27.018 -18.871 1.00 19.77 C ATOM 2409 O GLN B 49 -4.651 26.312 -19.383 1.00 21.21 O ATOM 2410 CB GLN B 49 -3.528 29.171 -20.177 1.00 37.49 C ATOM 2411 CG GLN B 49 -3.912 30.119 -19.069 1.00 48.68 C ATOM 2412 CD GLN B 49 -2.864 31.007 -18.444 1.00 55.61 C ATOM 2413 OE1 GLN B 49 -2.719 32.187 -18.804 1.00 59.44 O ATOM 2414 NE2 GLN B 49 -2.141 30.436 -17.480 1.00 57.60 N ATOM 2415 HA GLN B 49 -1.959 28.069 -19.243 1.00 0.00 H ATOM 2416 HB2 GLN B 49 -2.827 29.695 -20.826 1.00 0.00 H ATOM 2417 HB3 GLN B 49 -4.434 28.939 -20.736 1.00 0.00 H ATOM 2418 HG2 GLN B 49 -4.685 30.776 -19.469 1.00 0.00 H ATOM 2419 HG3 GLN B 49 -4.332 29.513 -18.266 1.00 0.00 H ATOM 2420 HE22 GLN B 49 -2.309 29.442 -17.223 1.00 0.00 H ATOM 2421 HE21 GLN B 49 -1.409 30.984 -16.985 1.00 0.00 H ATOM 2422 H GLN B 49 -2.909 27.412 -21.913 1.00 0.00 H ATOM 2423 N GLY B 50 -3.604 27.098 -17.556 1.00 18.75 N ATOM 2424 CA GLY B 50 -4.447 26.292 -16.655 1.00 17.52 C ATOM 2425 C GLY B 50 -5.114 27.229 -15.651 1.00 19.43 C ATOM 2426 O GLY B 50 -4.950 28.441 -15.782 1.00 20.62 O ATOM 2427 HA3 GLY B 50 -3.831 25.565 -16.127 1.00 0.00 H ATOM 2428 HA2 GLY B 50 -5.209 25.769 -17.233 1.00 0.00 H ATOM 2429 H GLY B 50 -2.874 27.727 -17.164 1.00 0.00 H ATOM 2430 N THR B 51 -5.865 26.695 -14.706 1.00 17.21 N ATOM 2431 CA THR B 51 -6.592 27.497 -13.706 1.00 21.09 C ATOM 2432 C THR B 51 -6.256 27.190 -12.236 1.00 22.02 C ATOM 2433 O THR B 51 -7.105 27.256 -11.342 1.00 25.19 O ATOM 2434 CB THR B 51 -8.086 27.145 -13.668 1.00 22.32 C ATOM 2435 OG1 THR B 51 -8.198 25.711 -13.485 1.00 23.69 O ATOM 2436 CG2 THR B 51 -8.733 27.625 -14.970 1.00 22.49 C ATOM 2437 HA THR B 51 -6.321 28.506 -14.018 1.00 0.00 H ATOM 2438 HB THR B 51 -8.606 27.635 -12.845 1.00 0.00 H ATOM 2439 HG1 THR B 51 -7.762 25.453 -12.635 1.00 0.00 H ATOM 2440 HG23 THR B 51 -8.619 28.706 -15.054 1.00 0.00 H ATOM 2441 HG21 THR B 51 -8.246 27.140 -15.816 1.00 0.00 H ATOM 2442 HG22 THR B 51 -9.793 27.370 -14.963 1.00 0.00 H ATOM 2443 H THR B 51 -5.948 25.659 -14.665 1.00 0.00 H ATOM 2444 N GLY B 52 -5.040 26.899 -11.931 1.00 14.99 N ATOM 2445 CA GLY B 52 -4.324 26.688 -10.734 1.00 13.07 C ATOM 2446 C GLY B 52 -4.574 25.518 -9.834 1.00 10.93 C ATOM 2447 O GLY B 52 -5.409 24.677 -10.151 1.00 13.04 O ATOM 2448 HA3 GLY B 52 -4.487 27.577 -10.125 1.00 0.00 H ATOM 2449 HA2 GLY B 52 -3.273 26.631 -11.018 1.00 0.00 H ATOM 2450 H GLY B 52 -4.438 26.794 -12.773 1.00 0.00 H ATOM 2451 N ILE B 53 -3.750 25.485 -8.789 1.00 11.12 N ATOM 2452 CA ILE B 53 -3.960 24.422 -7.797 1.00 11.21 C ATOM 2453 C ILE B 53 -4.062 25.141 -6.438 1.00 12.73 C ATOM 2454 O ILE B 53 -3.542 26.252 -6.229 1.00 12.29 O ATOM 2455 CB ILE B 53 -2.758 23.437 -7.796 1.00 10.42 C ATOM 2456 CG1 ILE B 53 -1.521 24.276 -7.637 1.00 10.54 C ATOM 2457 CG2 ILE B 53 -2.954 22.559 -9.025 1.00 13.19 C ATOM 2458 CD1 ILE B 53 -0.272 23.412 -7.679 1.00 18.07 C ATOM 2459 HA ILE B 53 -4.854 23.837 -8.015 1.00 0.00 H ATOM 2460 HB ILE B 53 -2.666 22.721 -6.979 1.00 0.00 H ATOM 2461 HG12 ILE B 53 -1.478 25.006 -8.445 1.00 0.00 H ATOM 2462 HG13 ILE B 53 -1.563 24.797 -6.681 1.00 0.00 H ATOM 2463 HD11 ILE B 53 -0.309 22.683 -6.869 1.00 0.00 H ATOM 2464 HD12 ILE B 53 -0.223 22.892 -8.636 1.00 0.00 H ATOM 2465 HD13 ILE B 53 0.609 24.043 -7.562 1.00 0.00 H ATOM 2466 HG21 ILE B 53 -3.904 22.030 -8.945 1.00 0.00 H ATOM 2467 HG22 ILE B 53 -2.959 23.183 -9.919 1.00 0.00 H ATOM 2468 HG23 ILE B 53 -2.139 21.838 -9.088 1.00 0.00 H ATOM 2469 H ILE B 53 -2.988 26.184 -8.679 1.00 0.00 H ATOM 2470 N GLY B 54 -4.700 24.471 -5.463 1.00 12.42 N ATOM 2471 CA GLY B 54 -4.859 25.034 -4.120 1.00 11.80 C ATOM 2472 C GLY B 54 -4.158 24.080 -3.177 1.00 10.12 C ATOM 2473 O GLY B 54 -4.213 22.866 -3.373 1.00 15.17 O ATOM 2474 HA3 GLY B 54 -5.916 25.110 -3.864 1.00 0.00 H ATOM 2475 HA2 GLY B 54 -4.402 26.022 -4.067 1.00 0.00 H ATOM 2476 H GLY B 54 -5.091 23.529 -5.667 1.00 0.00 H ATOM 2477 N GLY B 55 -3.527 24.664 -2.157 1.00 11.16 N ATOM 2478 CA GLY B 55 -2.853 23.876 -1.151 1.00 15.19 C ATOM 2479 C GLY B 55 -2.864 24.727 0.120 1.00 19.35 C ATOM 2480 O GLY B 55 -3.636 25.688 0.332 1.00 18.04 O ATOM 2481 HA3 GLY B 55 -1.829 23.664 -1.458 1.00 0.00 H ATOM 2482 HA2 GLY B 55 -3.383 22.938 -0.985 1.00 0.00 H ATOM 2483 H GLY B 55 -3.520 25.701 -2.085 1.00 0.00 H ATOM 2484 N VAL B 56 -1.990 24.265 1.004 1.00 17.96 N ATOM 2485 CA VAL B 56 -1.865 24.893 2.306 1.00 20.27 C ATOM 2486 C VAL B 56 -1.959 26.407 2.367 1.00 19.42 C ATOM 2487 O VAL B 56 -2.858 26.907 3.061 1.00 21.63 O ATOM 2488 CB VAL B 56 -0.511 24.368 2.861 1.00 22.69 C ATOM 2489 CG1 VAL B 56 0.249 25.368 3.710 1.00 25.18 C ATOM 2490 CG2 VAL B 56 -0.879 23.117 3.642 1.00 18.94 C ATOM 2491 HA VAL B 56 -2.733 24.621 2.907 1.00 0.00 H ATOM 2492 HB VAL B 56 0.185 24.170 2.046 1.00 0.00 H ATOM 2493 HG11 VAL B 56 0.471 26.254 3.115 1.00 0.00 H ATOM 2494 HG12 VAL B 56 -0.359 25.650 4.569 1.00 0.00 H ATOM 2495 HG13 VAL B 56 1.180 24.917 4.054 1.00 0.00 H ATOM 2496 HG21 VAL B 56 -1.572 23.380 4.441 1.00 0.00 H ATOM 2497 HG22 VAL B 56 -1.351 22.398 2.972 1.00 0.00 H ATOM 2498 HG23 VAL B 56 0.023 22.679 4.070 1.00 0.00 H ATOM 2499 H VAL B 56 -1.392 23.449 0.763 1.00 0.00 H ATOM 2500 N GLY B 57 -1.074 27.169 1.737 1.00 23.35 N ATOM 2501 CA GLY B 57 -1.128 28.619 1.815 1.00 25.96 C ATOM 2502 C GLY B 57 -1.903 29.330 0.715 1.00 27.09 C ATOM 2503 O GLY B 57 -1.638 30.528 0.510 1.00 29.87 O ATOM 2504 HA3 GLY B 57 -0.104 28.991 1.792 1.00 0.00 H ATOM 2505 HA2 GLY B 57 -1.587 28.883 2.768 1.00 0.00 H ATOM 2506 H GLY B 57 -0.324 26.718 1.174 1.00 0.00 H ATOM 2507 N GLY B 58 -2.835 28.700 0.000 1.00 23.86 N ATOM 2508 CA GLY B 58 -3.524 29.459 -1.041 1.00 22.03 C ATOM 2509 C GLY B 58 -3.449 28.775 -2.412 1.00 18.25 C ATOM 2510 O GLY B 58 -3.151 27.590 -2.530 1.00 16.31 O ATOM 2511 HA3 GLY B 58 -3.066 30.445 -1.116 1.00 0.00 H ATOM 2512 HA2 GLY B 58 -4.572 29.567 -0.760 1.00 0.00 H ATOM 2513 H GLY B 58 -3.064 27.701 0.177 1.00 0.00 H ATOM 2514 N ASN B 59 -3.772 29.547 -3.444 1.00 13.96 N ATOM 2515 CA ASN B 59 -3.803 29.087 -4.810 1.00 14.92 C ATOM 2516 C ASN B 59 -2.581 29.591 -5.554 1.00 16.15 C ATOM 2517 O ASN B 59 -2.138 30.692 -5.211 1.00 15.36 O ATOM 2518 CB ASN B 59 -5.031 29.641 -5.558 1.00 16.62 C ATOM 2519 CG ASN B 59 -6.352 29.356 -4.862 1.00 21.81 C ATOM 2520 OD1 ASN B 59 -6.629 28.197 -4.598 1.00 23.14 O ATOM 2521 ND2 ASN B 59 -7.096 30.388 -4.501 1.00 27.97 N ATOM 2522 HA ASN B 59 -3.836 27.998 -4.779 1.00 0.00 H ATOM 2523 HB2 ASN B 59 -4.918 30.721 -5.653 1.00 0.00 H ATOM 2524 HB3 ASN B 59 -5.061 29.192 -6.551 1.00 0.00 H ATOM 2525 HD22 ASN B 59 -6.806 31.353 -4.757 1.00 0.00 H ATOM 2526 HD21 ASN B 59 -7.972 30.234 -3.961 1.00 0.00 H ATOM 2527 H ASN B 59 -4.017 30.540 -3.256 1.00 0.00 H ATOM 2528 N VAL B 60 -2.142 28.753 -6.512 1.00 12.75 N ATOM 2529 CA VAL B 60 -0.962 29.114 -7.308 1.00 12.95 C ATOM 2530 C VAL B 60 -1.309 28.824 -8.764 1.00 12.91 C ATOM 2531 O VAL B 60 -1.972 27.846 -9.092 1.00 13.40 O ATOM 2532 CB VAL B 60 0.136 28.212 -6.711 1.00 23.20 C ATOM 2533 CG1 VAL B 60 1.105 27.770 -7.774 1.00 26.04 C ATOM 2534 CG2 VAL B 60 0.782 28.954 -5.543 1.00 22.96 C ATOM 2535 HA VAL B 60 -0.637 30.154 -7.282 1.00 0.00 H ATOM 2536 HB VAL B 60 -0.286 27.287 -6.319 1.00 0.00 H ATOM 2537 HG11 VAL B 60 0.570 27.211 -8.541 1.00 0.00 H ATOM 2538 HG12 VAL B 60 1.575 28.645 -8.222 1.00 0.00 H ATOM 2539 HG13 VAL B 60 1.869 27.135 -7.326 1.00 0.00 H ATOM 2540 HG21 VAL B 60 1.217 29.886 -5.903 1.00 0.00 H ATOM 2541 HG22 VAL B 60 0.025 29.172 -4.789 1.00 0.00 H ATOM 2542 HG23 VAL B 60 1.563 28.332 -5.106 1.00 0.00 H ATOM 2543 H VAL B 60 -2.636 27.855 -6.687 1.00 0.00 H ATOM 2544 N GLU B 61 -0.882 29.706 -9.676 1.00 12.74 N ATOM 2545 CA GLU B 61 -1.175 29.569 -11.090 1.00 12.04 C ATOM 2546 C GLU B 61 -0.456 28.378 -11.716 1.00 9.21 C ATOM 2547 O GLU B 61 0.594 28.007 -11.264 1.00 11.71 O ATOM 2548 CB GLU B 61 -0.714 30.812 -11.899 1.00 13.18 C ATOM 2549 CG GLU B 61 -1.801 31.884 -11.726 1.00 28.12 C ATOM 2550 CD GLU B 61 -1.430 33.266 -12.246 1.00 40.03 C ATOM 2551 OE1 GLU B 61 -0.761 33.371 -13.311 1.00 35.62 O ATOM 2552 OE2 GLU B 61 -1.865 34.230 -11.556 1.00 45.87 O ATOM 2553 HA GLU B 61 -2.256 29.442 -11.139 1.00 0.00 H ATOM 2554 HB2 GLU B 61 0.238 31.178 -11.515 1.00 0.00 H ATOM 2555 HB3 GLU B 61 -0.605 30.555 -12.953 1.00 0.00 H ATOM 2556 HG2 GLU B 61 -2.693 31.551 -12.257 1.00 0.00 H ATOM 2557 HG3 GLU B 61 -2.024 31.971 -10.663 1.00 0.00 H ATOM 2558 H GLU B 61 -0.319 30.521 -9.359 1.00 0.00 H ATOM 2559 N THR B 62 -1.087 27.777 -12.700 1.00 11.05 N ATOM 2560 CA THR B 62 -0.422 26.660 -13.353 1.00 12.35 C ATOM 2561 C THR B 62 -0.562 26.726 -14.876 1.00 13.93 C ATOM 2562 O THR B 62 -1.426 27.496 -15.334 1.00 12.96 O ATOM 2563 CB THR B 62 -1.220 25.384 -13.004 1.00 10.46 C ATOM 2564 OG1 THR B 62 -2.635 25.482 -13.254 1.00 15.77 O ATOM 2565 CG2 THR B 62 -0.909 25.047 -11.563 1.00 15.52 C ATOM 2566 HA THR B 62 0.622 26.675 -13.039 1.00 0.00 H ATOM 2567 HB THR B 62 -0.908 24.578 -13.668 1.00 0.00 H ATOM 2568 HG1 THR B 62 -3.073 24.629 -13.006 1.00 0.00 H ATOM 2569 HG23 THR B 62 0.171 24.985 -11.431 1.00 0.00 H ATOM 2570 HG21 THR B 62 -1.312 25.825 -10.914 1.00 0.00 H ATOM 2571 HG22 THR B 62 -1.363 24.089 -11.309 1.00 0.00 H ATOM 2572 H THR B 62 -2.032 28.090 -13.002 1.00 0.00 H ATOM 2573 N PHE B 63 0.262 25.934 -15.555 1.00 11.25 N ATOM 2574 CA PHE B 63 0.008 25.758 -16.987 1.00 13.33 C ATOM 2575 C PHE B 63 0.065 24.220 -17.152 1.00 14.93 C ATOM 2576 O PHE B 63 0.609 23.609 -16.229 1.00 15.24 O ATOM 2577 CB PHE B 63 0.916 26.348 -17.997 1.00 16.48 C ATOM 2578 CG PHE B 63 2.367 26.120 -17.966 1.00 18.19 C ATOM 2579 CD1 PHE B 63 2.932 25.050 -18.644 1.00 20.01 C ATOM 2580 CD2 PHE B 63 3.151 27.033 -17.289 1.00 24.95 C ATOM 2581 CE1 PHE B 63 4.313 24.923 -18.637 1.00 25.07 C ATOM 2582 CE2 PHE B 63 4.536 26.883 -17.258 1.00 23.18 C ATOM 2583 CZ PHE B 63 5.102 25.820 -17.941 1.00 27.61 C ATOM 2584 HA PHE B 63 -0.918 26.292 -17.199 1.00 0.00 H ATOM 2585 HB2 PHE B 63 0.571 25.987 -18.966 1.00 0.00 H ATOM 2586 HB3 PHE B 63 0.775 27.427 -17.941 1.00 0.00 H ATOM 2587 HD2 PHE B 63 2.685 27.875 -16.777 1.00 0.00 H ATOM 2588 HE2 PHE B 63 5.160 27.587 -16.708 1.00 0.00 H ATOM 2589 HZ PHE B 63 6.184 25.689 -17.930 1.00 0.00 H ATOM 2590 HE1 PHE B 63 4.782 24.107 -19.187 1.00 0.00 H ATOM 2591 HD1 PHE B 63 2.307 24.328 -19.169 1.00 0.00 H ATOM 2592 H PHE B 63 1.058 25.457 -15.086 1.00 0.00 H ATOM 2593 N SER B 64 -0.519 23.642 -18.164 1.00 10.03 N ATOM 2594 CA SER B 64 -0.431 22.185 -18.339 1.00 12.39 C ATOM 2595 C SER B 64 0.499 21.935 -19.545 1.00 13.93 C ATOM 2596 O SER B 64 0.635 22.765 -20.455 1.00 14.62 O ATOM 2597 CB SER B 64 -1.745 21.467 -18.412 1.00 18.96 C ATOM 2598 OG SER B 64 -2.467 21.762 -19.551 1.00 27.25 O ATOM 2599 HA SER B 64 -0.008 21.741 -17.438 1.00 0.00 H ATOM 2600 HB2 SER B 64 -2.341 21.746 -17.543 1.00 0.00 H ATOM 2601 HB3 SER B 64 -1.555 20.394 -18.391 1.00 0.00 H ATOM 2602 HG SER B 64 -2.656 22.733 -19.578 1.00 0.00 H ATOM 2603 H SER B 64 -1.050 24.214 -18.851 1.00 0.00 H ATOM 2604 N THR B 65 1.061 20.726 -19.588 1.00 12.63 N ATOM 2605 CA THR B 65 1.997 20.377 -20.693 1.00 12.53 C ATOM 2606 C THR B 65 1.977 18.887 -20.929 1.00 10.66 C ATOM 2607 O THR B 65 1.838 18.129 -19.964 1.00 13.67 O ATOM 2608 CB THR B 65 3.394 20.898 -20.334 1.00 13.03 C ATOM 2609 OG1 THR B 65 4.253 20.891 -21.492 1.00 14.78 O ATOM 2610 CG2 THR B 65 4.160 20.150 -19.225 1.00 10.34 C ATOM 2611 HA THR B 65 1.690 20.848 -21.627 1.00 0.00 H ATOM 2612 HB THR B 65 3.176 21.895 -19.952 1.00 0.00 H ATOM 2613 HG1 THR B 65 3.864 21.472 -22.193 1.00 0.00 H ATOM 2614 HG23 THR B 65 3.553 20.125 -18.320 1.00 0.00 H ATOM 2615 HG21 THR B 65 4.369 19.132 -19.553 1.00 0.00 H ATOM 2616 HG22 THR B 65 5.098 20.667 -19.021 1.00 0.00 H ATOM 2617 H THR B 65 0.845 20.026 -18.849 1.00 0.00 H ATOM 2618 N PRO B 66 2.083 18.387 -22.152 1.00 12.79 N ATOM 2619 CA PRO B 66 2.030 16.963 -22.477 1.00 12.82 C ATOM 2620 C PRO B 66 3.350 16.306 -22.129 1.00 11.32 C ATOM 2621 O PRO B 66 4.466 16.850 -22.283 1.00 12.49 O ATOM 2622 CB PRO B 66 1.653 16.872 -23.984 1.00 14.20 C ATOM 2623 CG PRO B 66 1.932 18.239 -24.529 1.00 18.16 C ATOM 2624 CD PRO B 66 2.214 19.176 -23.385 1.00 13.16 C ATOM 2625 HA PRO B 66 1.283 16.421 -21.897 1.00 0.00 H ATOM 2626 HD3 PRO B 66 3.224 19.579 -23.469 1.00 0.00 H ATOM 2627 HD2 PRO B 66 1.496 19.996 -23.385 1.00 0.00 H ATOM 2628 HG3 PRO B 66 1.066 18.594 -25.087 1.00 0.00 H ATOM 2629 HG2 PRO B 66 2.797 18.199 -25.191 1.00 0.00 H ATOM 2630 HB2 PRO B 66 2.265 16.124 -24.489 1.00 0.00 H ATOM 2631 HB3 PRO B 66 0.600 16.618 -24.102 1.00 0.00 H ATOM 2632 N VAL B 67 3.244 15.117 -21.496 1.00 11.67 N ATOM 2633 CA VAL B 67 4.439 14.421 -21.087 1.00 11.45 C ATOM 2634 C VAL B 67 4.239 12.912 -21.327 1.00 12.49 C ATOM 2635 O VAL B 67 3.159 12.410 -21.535 1.00 13.34 O ATOM 2636 CB VAL B 67 4.860 14.548 -19.588 1.00 13.17 C ATOM 2637 CG1 VAL B 67 5.201 15.973 -19.111 1.00 12.69 C ATOM 2638 CG2 VAL B 67 3.787 13.965 -18.655 1.00 12.32 C ATOM 2639 HA VAL B 67 5.223 14.894 -21.679 1.00 0.00 H ATOM 2640 HB VAL B 67 5.785 13.973 -19.535 1.00 0.00 H ATOM 2641 HG11 VAL B 67 6.033 16.362 -19.698 1.00 0.00 H ATOM 2642 HG12 VAL B 67 4.331 16.616 -19.241 1.00 0.00 H ATOM 2643 HG13 VAL B 67 5.479 15.945 -18.058 1.00 0.00 H ATOM 2644 HG21 VAL B 67 2.850 14.503 -18.799 1.00 0.00 H ATOM 2645 HG22 VAL B 67 3.641 12.910 -18.886 1.00 0.00 H ATOM 2646 HG23 VAL B 67 4.112 14.070 -17.620 1.00 0.00 H ATOM 2647 H VAL B 67 2.308 14.707 -21.305 1.00 0.00 H ATOM 2648 N THR B 68 5.339 12.207 -21.447 1.00 12.80 N ATOM 2649 CA THR B 68 5.436 10.766 -21.524 1.00 14.00 C ATOM 2650 C THR B 68 6.237 10.369 -20.262 1.00 11.57 C ATOM 2651 O THR B 68 7.377 10.766 -19.950 1.00 13.09 O ATOM 2652 CB THR B 68 6.260 10.255 -22.721 1.00 16.42 C ATOM 2653 OG1 THR B 68 5.401 10.590 -23.816 1.00 18.85 O ATOM 2654 CG2 THR B 68 6.231 8.738 -22.602 1.00 17.73 C ATOM 2655 HA THR B 68 4.433 10.351 -21.618 1.00 0.00 H ATOM 2656 HB THR B 68 7.278 10.635 -22.801 1.00 0.00 H ATOM 2657 HG1 THR B 68 5.825 10.307 -24.665 1.00 0.00 H ATOM 2658 HG23 THR B 68 6.873 8.427 -21.778 1.00 0.00 H ATOM 2659 HG21 THR B 68 5.209 8.409 -22.413 1.00 0.00 H ATOM 2660 HG22 THR B 68 6.590 8.295 -23.531 1.00 0.00 H ATOM 2661 H THR B 68 6.232 12.738 -21.491 1.00 0.00 H ATOM 2662 N ILE B 69 5.620 9.491 -19.457 1.00 12.20 N ATOM 2663 CA ILE B 69 6.282 9.034 -18.236 1.00 14.60 C ATOM 2664 C ILE B 69 6.606 7.539 -18.384 1.00 13.37 C ATOM 2665 O ILE B 69 5.713 6.848 -18.828 1.00 12.00 O ATOM 2666 CB ILE B 69 5.397 9.200 -16.983 1.00 21.86 C ATOM 2667 CG1 ILE B 69 5.201 10.716 -16.766 1.00 22.04 C ATOM 2668 CG2 ILE B 69 5.986 8.605 -15.714 1.00 20.77 C ATOM 2669 CD1 ILE B 69 4.225 11.012 -15.659 1.00 21.77 C ATOM 2670 HA ILE B 69 7.178 9.641 -18.105 1.00 0.00 H ATOM 2671 HB ILE B 69 4.467 8.661 -17.165 1.00 0.00 H ATOM 2672 HG12 ILE B 69 6.163 11.162 -16.514 1.00 0.00 H ATOM 2673 HG13 ILE B 69 4.828 11.158 -17.690 1.00 0.00 H ATOM 2674 HD11 ILE B 69 3.256 10.577 -15.905 1.00 0.00 H ATOM 2675 HD12 ILE B 69 4.592 10.581 -14.728 1.00 0.00 H ATOM 2676 HD13 ILE B 69 4.122 12.091 -15.546 1.00 0.00 H ATOM 2677 HG21 ILE B 69 6.142 7.535 -15.854 1.00 0.00 H ATOM 2678 HG22 ILE B 69 6.939 9.087 -15.497 1.00 0.00 H ATOM 2679 HG23 ILE B 69 5.298 8.768 -14.885 1.00 0.00 H ATOM 2680 H ILE B 69 4.673 9.136 -19.701 1.00 0.00 H ATOM 2681 N LYS B 70 7.821 7.161 -18.032 1.00 13.99 N ATOM 2682 CA LYS B 70 8.187 5.754 -18.111 1.00 18.26 C ATOM 2683 C LYS B 70 8.655 5.316 -16.721 1.00 15.97 C ATOM 2684 O LYS B 70 9.457 5.883 -15.981 1.00 16.31 O ATOM 2685 CB LYS B 70 9.134 5.564 -19.289 1.00 19.75 C ATOM 2686 HA LYS B 70 7.364 5.078 -18.341 1.00 0.00 H ATOM 2687 HB2 LYS B 70 8.635 5.870 -20.208 1.00 0.00 H ATOM 2688 HB3 LYS B 70 10.026 6.172 -19.138 1.00 0.00 H ATOM 2689 H LYS B 70 8.512 7.864 -17.700 1.00 0.00 H ATOM 2690 N LYS B 71 8.043 4.224 -16.231 1.00 19.46 N ATOM 2691 CA LYS B 71 8.336 3.636 -14.912 1.00 18.63 C ATOM 2692 C LYS B 71 7.643 2.264 -14.843 1.00 23.31 C ATOM 2693 O LYS B 71 6.550 2.109 -15.386 1.00 19.58 O ATOM 2694 CB LYS B 71 7.719 4.455 -13.766 1.00 17.16 C ATOM 2695 CG LYS B 71 8.002 4.009 -12.354 1.00 18.21 C ATOM 2696 CD LYS B 71 9.453 4.125 -11.939 1.00 12.63 C ATOM 2697 CE LYS B 71 9.720 3.685 -10.502 1.00 19.26 C ATOM 2698 NZ LYS B 71 11.181 3.841 -10.222 1.00 12.99 N ATOM 2699 HA LYS B 71 9.420 3.595 -14.804 1.00 0.00 H ATOM 2700 HB2 LYS B 71 8.083 5.478 -13.864 1.00 0.00 H ATOM 2701 HB3 LYS B 71 6.638 4.441 -13.901 1.00 0.00 H ATOM 2702 HG2 LYS B 71 7.404 4.619 -11.677 1.00 0.00 H ATOM 2703 HG3 LYS B 71 7.703 2.965 -12.260 1.00 0.00 H ATOM 2704 HD2 LYS B 71 10.052 3.505 -12.606 1.00 0.00 H ATOM 2705 HD3 LYS B 71 9.758 5.166 -12.042 1.00 0.00 H ATOM 2706 HE2 LYS B 71 9.431 2.642 -10.377 1.00 0.00 H ATOM 2707 HE3 LYS B 71 9.145 4.305 -9.814 1.00 0.00 H ATOM 2708 HZ1 LYS B 71 11.724 3.249 -10.882 1.00 0.00 H ATOM 2709 HZ2 LYS B 71 11.452 4.838 -10.345 1.00 0.00 H ATOM 2710 HZ3 LYS B 71 11.379 3.545 -9.245 1.00 0.00 H ATOM 2711 H LYS B 71 7.318 3.766 -16.819 1.00 0.00 H ATOM 2712 N LYS B 72 8.249 1.371 -14.063 1.00 26.12 N ATOM 2713 CA LYS B 72 7.640 0.040 -13.884 1.00 29.93 C ATOM 2714 C LYS B 72 7.314 -0.537 -15.264 1.00 30.78 C ATOM 2715 O LYS B 72 6.253 -1.123 -15.489 1.00 34.32 O ATOM 2716 CB LYS B 72 6.308 0.262 -13.174 1.00 30.59 C ATOM 2717 CG LYS B 72 6.129 0.009 -11.708 1.00 36.64 C ATOM 2718 CD LYS B 72 4.617 0.046 -11.461 1.00 41.66 C ATOM 2719 CE LYS B 72 4.200 -1.233 -10.728 1.00 46.38 C ATOM 2720 NZ LYS B 72 2.828 -1.198 -10.142 1.00 38.85 N ATOM 2721 HA LYS B 72 8.306 -0.624 -13.333 1.00 0.00 H ATOM 2722 HB2 LYS B 72 6.048 1.308 -13.336 1.00 0.00 H ATOM 2723 HB3 LYS B 72 5.583 -0.374 -13.683 1.00 0.00 H ATOM 2724 HG2 LYS B 72 6.535 -0.966 -11.438 1.00 0.00 H ATOM 2725 HG3 LYS B 72 6.628 0.783 -11.125 1.00 0.00 H ATOM 2726 HD2 LYS B 72 4.367 0.915 -10.852 1.00 0.00 H ATOM 2727 HD3 LYS B 72 4.092 0.109 -12.414 1.00 0.00 H ATOM 2728 HE2 LYS B 72 4.910 -1.408 -9.920 1.00 0.00 H ATOM 2729 HE3 LYS B 72 4.246 -2.061 -11.436 1.00 0.00 H ATOM 2730 HZ1 LYS B 72 2.767 -0.422 -9.452 1.00 0.00 H ATOM 2731 HZ2 LYS B 72 2.132 -1.045 -10.900 1.00 0.00 H ATOM 2732 HZ3 LYS B 72 2.632 -2.102 -9.667 1.00 0.00 H ATOM 2733 H LYS B 72 9.142 1.610 -13.586 1.00 0.00 H ATOM 2734 N GLY B 73 8.178 -0.335 -16.252 1.00 33.70 N ATOM 2735 CA GLY B 73 7.932 -0.803 -17.602 1.00 35.12 C ATOM 2736 C GLY B 73 6.652 -0.257 -18.217 1.00 35.88 C ATOM 2737 O GLY B 73 6.220 -0.868 -19.198 1.00 39.87 O ATOM 2738 HA3 GLY B 73 7.868 -1.891 -17.583 1.00 0.00 H ATOM 2739 HA2 GLY B 73 8.771 -0.501 -18.229 1.00 0.00 H ATOM 2740 H GLY B 73 9.061 0.176 -16.051 1.00 0.00 H ATOM 2741 N ARG B 74 6.007 0.787 -17.695 1.00 33.13 N ATOM 2742 CA ARG B 74 4.805 1.338 -18.284 1.00 30.32 C ATOM 2743 C ARG B 74 5.198 2.580 -19.085 1.00 29.48 C ATOM 2744 O ARG B 74 6.262 3.181 -18.933 1.00 28.06 O ATOM 2745 CB ARG B 74 3.733 1.751 -17.285 1.00 36.70 C ATOM 2746 CG ARG B 74 3.038 0.530 -16.672 1.00 45.31 C ATOM 2747 CD ARG B 74 2.775 0.806 -15.198 1.00 50.44 C ATOM 2748 NE ARG B 74 1.401 0.393 -14.900 1.00 56.77 N ATOM 2749 CZ ARG B 74 1.156 -0.732 -14.246 1.00 58.61 C ATOM 2750 NH1 ARG B 74 2.187 -1.337 -13.682 1.00 61.51 N ATOM 2751 NH2 ARG B 74 -0.093 -1.153 -14.129 1.00 65.42 N ATOM 2752 HA ARG B 74 4.372 0.544 -18.893 1.00 0.00 H ATOM 2753 HB2 ARG B 74 4.196 2.333 -16.488 1.00 0.00 H ATOM 2754 HB3 ARG B 74 2.990 2.363 -17.795 1.00 0.00 H ATOM 2755 HG2 ARG B 74 2.094 0.349 -17.186 1.00 0.00 H ATOM 2756 HG3 ARG B 74 3.679 -0.346 -16.773 1.00 0.00 H ATOM 2757 HD2 ARG B 74 2.895 1.870 -14.993 1.00 0.00 H ATOM 2758 HD3 ARG B 74 3.474 0.238 -14.584 1.00 0.00 H ATOM 2759 HE ARG B 74 0.608 0.992 -15.206 1.00 0.00 H ATOM 2760 HH12 ARG B 74 2.046 -2.224 -13.157 1.00 0.00 H ATOM 2761 HH11 ARG B 74 3.139 -0.926 -13.763 1.00 0.00 H ATOM 2762 HH22 ARG B 74 -0.299 -2.035 -13.618 1.00 0.00 H ATOM 2763 HH21 ARG B 74 -0.869 -0.602 -14.548 1.00 0.00 H ATOM 2764 H ARG B 74 6.383 1.223 -16.829 1.00 0.00 H ATOM 2765 N HIS B 75 4.311 2.941 -19.995 1.00 28.68 N ATOM 2766 CA HIS B 75 4.569 4.117 -20.841 1.00 31.23 C ATOM 2767 C HIS B 75 3.324 4.981 -20.716 1.00 29.81 C ATOM 2768 O HIS B 75 2.335 4.578 -21.345 1.00 31.10 O ATOM 2769 CB HIS B 75 4.685 3.592 -22.274 1.00 44.00 C ATOM 2770 CG HIS B 75 5.399 4.592 -23.114 1.00 53.82 C ATOM 2771 ND1 HIS B 75 6.765 4.511 -23.293 1.00 60.96 N ATOM 2772 CD2 HIS B 75 4.953 5.666 -23.804 1.00 60.87 C ATOM 2773 CE1 HIS B 75 7.136 5.517 -24.077 1.00 65.36 C ATOM 2774 NE2 HIS B 75 6.062 6.224 -24.405 1.00 65.97 N ATOM 2775 HA HIS B 75 5.464 4.676 -20.569 1.00 0.00 H ATOM 2776 HB2 HIS B 75 5.241 2.654 -22.274 1.00 0.00 H ATOM 2777 HB3 HIS B 75 3.688 3.422 -22.680 1.00 0.00 H ATOM 2778 HD2 HIS B 75 3.924 6.020 -23.872 1.00 0.00 H ATOM 2779 HE1 HIS B 75 8.156 5.727 -24.398 1.00 0.00 H ATOM 2780 H HIS B 75 3.433 2.396 -20.113 1.00 0.00 H ATOM 2781 N ILE B 76 3.320 6.032 -19.900 1.00 23.80 N ATOM 2782 CA ILE B 76 2.077 6.790 -19.768 1.00 20.75 C ATOM 2783 C ILE B 76 2.181 8.121 -20.502 1.00 20.56 C ATOM 2784 O ILE B 76 3.180 8.813 -20.344 1.00 19.14 O ATOM 2785 CB ILE B 76 1.842 6.985 -18.268 1.00 21.76 C ATOM 2786 CG1 ILE B 76 1.346 5.645 -17.700 1.00 24.79 C ATOM 2787 CG2 ILE B 76 0.832 8.063 -17.953 1.00 22.97 C ATOM 2788 CD1 ILE B 76 2.018 5.396 -16.371 1.00 29.75 C ATOM 2789 HA ILE B 76 1.237 6.260 -20.216 1.00 0.00 H ATOM 2790 HB ILE B 76 2.781 7.305 -17.817 1.00 0.00 H ATOM 2791 HG12 ILE B 76 0.265 5.684 -17.562 1.00 0.00 H ATOM 2792 HG13 ILE B 76 1.594 4.840 -18.392 1.00 0.00 H ATOM 2793 HD11 ILE B 76 3.098 5.359 -16.513 1.00 0.00 H ATOM 2794 HD12 ILE B 76 1.768 6.203 -15.682 1.00 0.00 H ATOM 2795 HD13 ILE B 76 1.671 4.447 -15.962 1.00 0.00 H ATOM 2796 HG21 ILE B 76 1.180 9.014 -18.356 1.00 0.00 H ATOM 2797 HG22 ILE B 76 -0.126 7.804 -18.404 1.00 0.00 H ATOM 2798 HG23 ILE B 76 0.716 8.146 -16.872 1.00 0.00 H ATOM 2799 H ILE B 76 4.174 6.305 -19.373 1.00 0.00 H ATOM 2800 N LYS B 77 1.164 8.403 -21.294 1.00 17.33 N ATOM 2801 CA LYS B 77 1.187 9.645 -22.077 1.00 21.14 C ATOM 2802 C LYS B 77 0.057 10.460 -21.452 1.00 22.22 C ATOM 2803 O LYS B 77 -1.110 10.025 -21.445 1.00 26.45 O ATOM 2804 CB LYS B 77 0.772 9.346 -23.503 1.00 25.74 C ATOM 2805 CG LYS B 77 1.644 9.682 -24.670 1.00 35.11 C ATOM 2806 CD LYS B 77 2.411 8.386 -24.958 1.00 46.52 C ATOM 2807 CE LYS B 77 3.092 8.392 -26.319 1.00 56.42 C ATOM 2808 NZ LYS B 77 4.132 9.457 -26.482 1.00 59.62 N ATOM 2809 HA LYS B 77 2.164 10.128 -22.078 1.00 0.00 H ATOM 2810 HB2 LYS B 77 0.598 8.271 -23.551 1.00 0.00 H ATOM 2811 HB3 LYS B 77 -0.169 9.872 -23.664 1.00 0.00 H ATOM 2812 HG2 LYS B 77 1.042 9.974 -25.531 1.00 0.00 H ATOM 2813 HG3 LYS B 77 2.331 10.490 -24.418 1.00 0.00 H ATOM 2814 HD2 LYS B 77 3.172 8.253 -24.189 1.00 0.00 H ATOM 2815 HD3 LYS B 77 1.711 7.552 -24.923 1.00 0.00 H ATOM 2816 HE2 LYS B 77 2.328 8.540 -27.083 1.00 0.00 H ATOM 2817 HE3 LYS B 77 3.569 7.423 -26.467 1.00 0.00 H ATOM 2818 HZ1 LYS B 77 3.692 10.391 -26.357 1.00 0.00 H ATOM 2819 HZ2 LYS B 77 4.877 9.324 -25.769 1.00 0.00 H ATOM 2820 HZ3 LYS B 77 4.546 9.392 -27.434 1.00 0.00 H ATOM 2821 H LYS B 77 0.355 7.753 -21.363 1.00 0.00 H ATOM 2822 N THR B 78 0.387 11.591 -20.853 1.00 17.29 N ATOM 2823 CA THR B 78 -0.680 12.367 -20.235 1.00 16.28 C ATOM 2824 C THR B 78 -0.281 13.830 -20.150 1.00 20.22 C ATOM 2825 O THR B 78 0.667 14.221 -20.838 1.00 18.84 O ATOM 2826 CB THR B 78 -0.926 11.745 -18.845 1.00 24.80 C ATOM 2827 OG1 THR B 78 -2.078 12.391 -18.293 1.00 24.55 O ATOM 2828 CG2 THR B 78 0.298 11.866 -17.956 1.00 22.00 C ATOM 2829 HA THR B 78 -1.599 12.337 -20.821 1.00 0.00 H ATOM 2830 HB THR B 78 -1.111 10.674 -18.926 1.00 0.00 H ATOM 2831 HG1 THR B 78 -2.267 12.016 -17.397 1.00 0.00 H ATOM 2832 HG23 THR B 78 1.139 11.357 -18.427 1.00 0.00 H ATOM 2833 HG21 THR B 78 0.541 12.919 -17.816 1.00 0.00 H ATOM 2834 HG22 THR B 78 0.090 11.408 -16.989 1.00 0.00 H ATOM 2835 H THR B 78 1.375 11.916 -20.824 1.00 0.00 H ATOM 2836 N ARG B 79 -1.031 14.660 -19.435 1.00 16.69 N ATOM 2837 CA ARG B 79 -0.699 16.041 -19.263 1.00 19.61 C ATOM 2838 C ARG B 79 -0.333 16.216 -17.783 1.00 21.96 C ATOM 2839 O ARG B 79 -0.909 15.519 -16.927 1.00 24.87 O ATOM 2840 CB ARG B 79 -1.804 17.027 -19.582 1.00 26.22 C ATOM 2841 CG ARG B 79 -1.795 17.297 -21.085 1.00 38.03 C ATOM 2842 CD ARG B 79 -1.925 18.789 -21.307 1.00 47.50 C ATOM 2843 NE ARG B 79 -2.743 19.072 -22.477 1.00 56.08 N ATOM 2844 CZ ARG B 79 -3.723 19.981 -22.414 1.00 63.18 C ATOM 2845 NH1 ARG B 79 -4.033 20.657 -21.312 1.00 62.13 N ATOM 2846 NH2 ARG B 79 -4.436 20.195 -23.517 1.00 66.46 N ATOM 2847 HA ARG B 79 0.103 16.263 -19.966 1.00 0.00 H ATOM 2848 HB2 ARG B 79 -2.767 16.608 -19.289 1.00 0.00 H ATOM 2849 HB3 ARG B 79 -1.634 17.957 -19.040 1.00 0.00 H ATOM 2850 HG2 ARG B 79 -0.860 16.941 -21.517 1.00 0.00 H ATOM 2851 HG3 ARG B 79 -2.631 16.781 -21.556 1.00 0.00 H ATOM 2852 HD2 ARG B 79 -0.933 19.216 -21.453 1.00 0.00 H ATOM 2853 HD3 ARG B 79 -2.388 19.241 -20.430 1.00 0.00 H ATOM 2854 HE ARG B 79 -2.565 18.565 -23.367 1.00 0.00 H ATOM 2855 HH12 ARG B 79 -4.807 21.351 -21.328 1.00 0.00 H ATOM 2856 HH11 ARG B 79 -3.501 20.492 -20.434 1.00 0.00 H ATOM 2857 HH22 ARG B 79 -5.207 20.893 -23.511 1.00 0.00 H ATOM 2858 HH21 ARG B 79 -4.222 19.664 -24.385 1.00 0.00 H ATOM 2859 H ARG B 79 -1.892 14.292 -18.983 1.00 0.00 H ATOM 2860 N MET B 80 0.618 17.081 -17.461 1.00 15.94 N ATOM 2861 CA MET B 80 0.992 17.330 -16.093 1.00 11.77 C ATOM 2862 C MET B 80 0.903 18.856 -15.914 1.00 12.23 C ATOM 2863 O MET B 80 1.176 19.570 -16.882 1.00 12.24 O ATOM 2864 CB MET B 80 2.465 17.017 -15.813 1.00 13.56 C ATOM 2865 CG MET B 80 2.619 15.603 -15.283 1.00 15.40 C ATOM 2866 SD MET B 80 4.320 15.197 -14.880 1.00 16.60 S ATOM 2867 CE MET B 80 4.567 15.547 -13.129 1.00 18.32 C ATOM 2868 HA MET B 80 0.355 16.723 -15.450 1.00 0.00 H ATOM 2869 HB2 MET B 80 3.035 17.118 -16.737 1.00 0.00 H ATOM 2870 HB3 MET B 80 2.847 17.721 -15.073 1.00 0.00 H ATOM 2871 HG2 MET B 80 2.264 14.905 -16.041 1.00 0.00 H ATOM 2872 HG3 MET B 80 2.013 15.499 -14.383 1.00 0.00 H ATOM 2873 HE1 MET B 80 4.374 16.603 -12.940 1.00 0.00 H ATOM 2874 HE2 MET B 80 3.881 14.939 -12.538 1.00 0.00 H ATOM 2875 HE3 MET B 80 5.595 15.309 -12.854 1.00 0.00 H ATOM 2876 H MET B 80 1.109 17.596 -18.220 1.00 0.00 H ATOM 2877 N LEU B 81 0.525 19.299 -14.728 1.00 9.61 N ATOM 2878 CA LEU B 81 0.528 20.750 -14.517 1.00 12.60 C ATOM 2879 C LEU B 81 1.952 21.190 -14.219 1.00 10.85 C ATOM 2880 O LEU B 81 2.838 20.364 -13.847 1.00 13.47 O ATOM 2881 CB LEU B 81 -0.316 21.098 -13.275 1.00 11.87 C ATOM 2882 CG LEU B 81 -1.769 20.601 -13.382 1.00 15.45 C ATOM 2883 CD1 LEU B 81 -2.556 21.007 -12.146 1.00 19.32 C ATOM 2884 CD2 LEU B 81 -2.403 21.176 -14.642 1.00 15.15 C ATOM 2885 HA LEU B 81 0.127 21.241 -15.404 1.00 0.00 H ATOM 2886 HB2 LEU B 81 0.146 20.640 -12.400 1.00 0.00 H ATOM 2887 HB3 LEU B 81 -0.326 22.181 -13.153 1.00 0.00 H ATOM 2888 HG LEU B 81 -1.780 19.513 -13.444 1.00 0.00 H ATOM 2889 HD21 LEU B 81 -2.391 22.265 -14.589 1.00 0.00 H ATOM 2890 HD22 LEU B 81 -1.838 20.847 -15.514 1.00 0.00 H ATOM 2891 HD23 LEU B 81 -3.432 20.826 -14.721 1.00 0.00 H ATOM 2892 HD11 LEU B 81 -2.093 20.569 -11.262 1.00 0.00 H ATOM 2893 HD12 LEU B 81 -2.556 22.093 -12.057 1.00 0.00 H ATOM 2894 HD13 LEU B 81 -3.582 20.649 -12.236 1.00 0.00 H ATOM 2895 H LEU B 81 0.237 18.644 -13.973 1.00 0.00 H ATOM 2896 N VAL B 82 2.306 22.451 -14.421 1.00 12.03 N ATOM 2897 CA VAL B 82 3.640 23.013 -14.119 1.00 8.01 C ATOM 2898 C VAL B 82 3.439 24.201 -13.154 1.00 13.49 C ATOM 2899 O VAL B 82 2.565 25.065 -13.379 1.00 12.94 O ATOM 2900 CB VAL B 82 4.373 23.466 -15.386 1.00 10.14 C ATOM 2901 CG1 VAL B 82 5.729 23.979 -14.958 1.00 7.74 C ATOM 2902 CG2 VAL B 82 4.448 22.322 -16.402 1.00 13.43 C ATOM 2903 HA VAL B 82 4.262 22.243 -13.663 1.00 0.00 H ATOM 2904 HB VAL B 82 3.839 24.268 -15.896 1.00 0.00 H ATOM 2905 HG11 VAL B 82 5.599 24.814 -14.270 1.00 0.00 H ATOM 2906 HG12 VAL B 82 6.278 23.179 -14.461 1.00 0.00 H ATOM 2907 HG13 VAL B 82 6.283 24.312 -15.835 1.00 0.00 H ATOM 2908 HG21 VAL B 82 4.986 21.482 -15.963 1.00 0.00 H ATOM 2909 HG22 VAL B 82 3.439 22.009 -16.669 1.00 0.00 H ATOM 2910 HG23 VAL B 82 4.972 22.664 -17.294 1.00 0.00 H ATOM 2911 H VAL B 82 1.593 23.093 -14.822 1.00 0.00 H ATOM 2912 N ALA B 83 4.149 24.271 -12.037 1.00 10.49 N ATOM 2913 CA ALA B 83 3.954 25.392 -11.091 1.00 9.20 C ATOM 2914 C ALA B 83 5.175 25.666 -10.268 1.00 10.35 C ATOM 2915 O ALA B 83 6.072 24.796 -10.152 1.00 10.90 O ATOM 2916 CB ALA B 83 2.721 25.076 -10.203 1.00 12.20 C ATOM 2917 HA ALA B 83 3.775 26.306 -11.657 1.00 0.00 H ATOM 2918 HB1 ALA B 83 1.840 24.963 -10.834 1.00 0.00 H ATOM 2919 HB2 ALA B 83 2.898 24.151 -9.654 1.00 0.00 H ATOM 2920 HB3 ALA B 83 2.563 25.893 -9.499 1.00 0.00 H ATOM 2921 H ALA B 83 4.849 23.532 -11.824 1.00 0.00 H ATOM 2922 N ASP B 84 5.325 26.933 -9.726 1.00 6.88 N ATOM 2923 CA ASP B 84 6.548 27.135 -8.945 1.00 10.47 C ATOM 2924 C ASP B 84 6.402 26.561 -7.537 1.00 14.29 C ATOM 2925 O ASP B 84 6.189 27.331 -6.587 1.00 17.32 O ATOM 2926 CB ASP B 84 6.780 28.643 -8.742 1.00 11.55 C ATOM 2927 CG ASP B 84 7.340 29.236 -10.024 1.00 22.82 C ATOM 2928 OD1 ASP B 84 8.150 28.574 -10.694 1.00 21.99 O ATOM 2929 OD2 ASP B 84 6.984 30.388 -10.356 1.00 23.33 O ATOM 2930 HA ASP B 84 7.360 26.650 -9.487 1.00 0.00 H ATOM 2931 HB2 ASP B 84 5.835 29.128 -8.497 1.00 0.00 H ATOM 2932 HB3 ASP B 84 7.488 28.797 -7.928 1.00 0.00 H ATOM 2933 H ASP B 84 4.621 27.686 -9.864 1.00 0.00 H ATOM 2934 N ILE B 85 6.478 25.257 -7.394 1.00 11.81 N ATOM 2935 CA ILE B 85 6.373 24.569 -6.123 1.00 14.36 C ATOM 2936 C ILE B 85 7.733 23.932 -5.840 1.00 14.97 C ATOM 2937 O ILE B 85 8.539 23.833 -6.746 1.00 15.96 O ATOM 2938 CB ILE B 85 5.196 23.594 -6.061 1.00 11.10 C ATOM 2939 CG1 ILE B 85 5.268 22.477 -7.111 1.00 14.23 C ATOM 2940 CG2 ILE B 85 3.928 24.415 -6.310 1.00 13.36 C ATOM 2941 CD1 ILE B 85 4.387 21.272 -6.753 1.00 13.95 C ATOM 2942 HA ILE B 85 6.137 25.276 -5.328 1.00 0.00 H ATOM 2943 HB ILE B 85 5.209 23.105 -5.087 1.00 0.00 H ATOM 2944 HG12 ILE B 85 4.939 22.877 -8.070 1.00 0.00 H ATOM 2945 HG13 ILE B 85 6.302 22.142 -7.194 1.00 0.00 H ATOM 2946 HD11 ILE B 85 4.712 20.857 -5.799 1.00 0.00 H ATOM 2947 HD12 ILE B 85 3.348 21.593 -6.676 1.00 0.00 H ATOM 2948 HD13 ILE B 85 4.477 20.514 -7.531 1.00 0.00 H ATOM 2949 HG21 ILE B 85 3.837 25.182 -5.541 1.00 0.00 H ATOM 2950 HG22 ILE B 85 3.989 24.887 -7.291 1.00 0.00 H ATOM 2951 HG23 ILE B 85 3.059 23.758 -6.275 1.00 0.00 H ATOM 2952 H ILE B 85 6.623 24.682 -8.248 1.00 0.00 H ATOM 2953 N PRO B 86 8.003 23.513 -4.602 1.00 17.16 N ATOM 2954 CA PRO B 86 9.314 23.020 -4.227 1.00 18.40 C ATOM 2955 C PRO B 86 9.651 21.639 -4.722 1.00 15.87 C ATOM 2956 O PRO B 86 10.831 21.316 -4.681 1.00 18.68 O ATOM 2957 CB PRO B 86 9.182 22.922 -2.678 1.00 19.87 C ATOM 2958 CG PRO B 86 8.093 23.892 -2.410 1.00 19.52 C ATOM 2959 CD PRO B 86 7.075 23.692 -3.491 1.00 19.36 C ATOM 2960 HA PRO B 86 10.088 23.668 -4.639 1.00 0.00 H ATOM 2961 HD3 PRO B 86 6.457 22.810 -3.321 1.00 0.00 H ATOM 2962 HD2 PRO B 86 6.434 24.563 -3.623 1.00 0.00 H ATOM 2963 HG3 PRO B 86 8.479 24.911 -2.439 1.00 0.00 H ATOM 2964 HG2 PRO B 86 7.649 23.701 -1.433 1.00 0.00 H ATOM 2965 HB2 PRO B 86 8.905 21.915 -2.365 1.00 0.00 H ATOM 2966 HB3 PRO B 86 10.107 23.214 -2.180 1.00 0.00 H ATOM 2967 N VAL B 87 8.635 20.836 -5.117 1.00 12.80 N ATOM 2968 CA VAL B 87 9.067 19.467 -5.515 1.00 12.79 C ATOM 2969 C VAL B 87 8.143 18.929 -6.590 1.00 10.72 C ATOM 2970 O VAL B 87 7.030 19.471 -6.685 1.00 9.05 O ATOM 2971 CB VAL B 87 8.975 18.615 -4.224 1.00 21.52 C ATOM 2972 CG1 VAL B 87 7.555 18.594 -3.659 1.00 20.25 C ATOM 2973 CG2 VAL B 87 9.430 17.177 -4.381 1.00 24.88 C ATOM 2974 HA VAL B 87 10.076 19.452 -5.927 1.00 0.00 H ATOM 2975 HB VAL B 87 9.662 19.112 -3.540 1.00 0.00 H ATOM 2976 HG11 VAL B 87 7.245 19.612 -3.422 1.00 0.00 H ATOM 2977 HG12 VAL B 87 6.877 18.170 -4.399 1.00 0.00 H ATOM 2978 HG13 VAL B 87 7.534 17.986 -2.755 1.00 0.00 H ATOM 2979 HG21 VAL B 87 8.813 16.682 -5.131 1.00 0.00 H ATOM 2980 HG22 VAL B 87 10.473 17.160 -4.697 1.00 0.00 H ATOM 2981 HG23 VAL B 87 9.330 16.659 -3.427 1.00 0.00 H ATOM 2982 H VAL B 87 7.643 21.147 -5.140 1.00 0.00 H ATOM 2983 N THR B 88 8.554 17.954 -7.389 1.00 8.77 N ATOM 2984 CA THR B 88 7.629 17.467 -8.430 1.00 8.37 C ATOM 2985 C THR B 88 6.885 16.302 -7.756 1.00 9.74 C ATOM 2986 O THR B 88 7.474 15.517 -7.018 1.00 9.48 O ATOM 2987 CB THR B 88 8.462 16.900 -9.586 1.00 8.65 C ATOM 2988 OG1 THR B 88 8.893 18.052 -10.339 1.00 12.61 O ATOM 2989 CG2 THR B 88 7.594 15.996 -10.467 1.00 5.98 C ATOM 2990 HA THR B 88 6.962 18.241 -8.809 1.00 0.00 H ATOM 2991 HB THR B 88 9.301 16.302 -9.231 1.00 0.00 H ATOM 2992 HG1 THR B 88 9.441 17.756 -11.108 1.00 0.00 H ATOM 2993 HG23 THR B 88 7.273 15.129 -9.890 1.00 0.00 H ATOM 2994 HG21 THR B 88 6.720 16.552 -10.806 1.00 0.00 H ATOM 2995 HG22 THR B 88 8.174 15.666 -11.329 1.00 0.00 H ATOM 2996 H THR B 88 9.504 17.543 -7.285 1.00 0.00 H ATOM 2997 N ILE B 89 5.585 16.376 -7.997 1.00 8.19 N ATOM 2998 CA ILE B 89 4.618 15.441 -7.389 1.00 10.96 C ATOM 2999 C ILE B 89 3.828 14.617 -8.361 1.00 8.35 C ATOM 3000 O ILE B 89 3.242 15.063 -9.347 1.00 10.08 O ATOM 3001 CB ILE B 89 3.628 16.387 -6.618 1.00 11.35 C ATOM 3002 CG1 ILE B 89 4.364 17.156 -5.520 1.00 14.96 C ATOM 3003 CG2 ILE B 89 2.370 15.673 -6.089 1.00 15.85 C ATOM 3004 CD1 ILE B 89 3.495 18.104 -4.749 1.00 15.86 C ATOM 3005 HA ILE B 89 5.153 14.710 -6.782 1.00 0.00 H ATOM 3006 HB ILE B 89 3.252 17.105 -7.347 1.00 0.00 H ATOM 3007 HG12 ILE B 89 4.788 16.434 -4.822 1.00 0.00 H ATOM 3008 HG13 ILE B 89 5.169 17.728 -5.983 1.00 0.00 H ATOM 3009 HD11 ILE B 89 3.071 18.842 -5.430 1.00 0.00 H ATOM 3010 HD12 ILE B 89 2.690 17.548 -4.268 1.00 0.00 H ATOM 3011 HD13 ILE B 89 4.094 18.609 -3.991 1.00 0.00 H ATOM 3012 HG21 ILE B 89 1.820 15.241 -6.925 1.00 0.00 H ATOM 3013 HG22 ILE B 89 2.665 14.882 -5.400 1.00 0.00 H ATOM 3014 HG23 ILE B 89 1.737 16.392 -5.569 1.00 0.00 H ATOM 3015 H ILE B 89 5.234 17.118 -8.636 1.00 0.00 H ATOM 3016 N LEU B 90 3.822 13.310 -8.100 1.00 7.25 N ATOM 3017 CA LEU B 90 2.990 12.383 -8.820 1.00 7.76 C ATOM 3018 C LEU B 90 1.777 12.213 -7.846 1.00 11.60 C ATOM 3019 O LEU B 90 1.890 11.685 -6.721 1.00 10.97 O ATOM 3020 CB LEU B 90 3.702 11.028 -8.976 1.00 11.66 C ATOM 3021 CG LEU B 90 4.208 10.755 -10.385 1.00 23.31 C ATOM 3022 CD1 LEU B 90 4.731 11.967 -11.114 1.00 16.45 C ATOM 3023 CD2 LEU B 90 5.170 9.576 -10.396 1.00 20.70 C ATOM 3024 HA LEU B 90 2.729 12.722 -9.823 1.00 0.00 H ATOM 3025 HB2 LEU B 90 4.553 11.007 -8.295 1.00 0.00 H ATOM 3026 HB3 LEU B 90 3.001 10.239 -8.704 1.00 0.00 H ATOM 3027 HG LEU B 90 3.334 10.473 -10.973 1.00 0.00 H ATOM 3028 HD21 LEU B 90 6.022 9.798 -9.753 1.00 0.00 H ATOM 3029 HD22 LEU B 90 4.658 8.687 -10.028 1.00 0.00 H ATOM 3030 HD23 LEU B 90 5.517 9.401 -11.414 1.00 0.00 H ATOM 3031 HD11 LEU B 90 3.936 12.707 -11.203 1.00 0.00 H ATOM 3032 HD12 LEU B 90 5.565 12.393 -10.556 1.00 0.00 H ATOM 3033 HD13 LEU B 90 5.069 11.674 -12.108 1.00 0.00 H ATOM 3034 H LEU B 90 4.442 12.947 -7.348 1.00 0.00 H ATOM 3035 N GLY B 91 0.616 12.696 -8.295 1.00 7.80 N ATOM 3036 CA GLY B 91 -0.590 12.584 -7.477 1.00 9.49 C ATOM 3037 C GLY B 91 -1.394 11.350 -7.930 1.00 9.01 C ATOM 3038 O GLY B 91 -0.970 10.559 -8.771 1.00 9.79 O ATOM 3039 HA3 GLY B 91 -1.198 13.481 -7.598 1.00 0.00 H ATOM 3040 HA2 GLY B 91 -0.312 12.474 -6.429 1.00 0.00 H ATOM 3041 H GLY B 91 0.570 13.153 -9.228 1.00 0.00 H ATOM 3042 N ARG B 92 -2.654 11.336 -7.514 1.00 5.34 N ATOM 3043 CA ARG B 92 -3.557 10.196 -7.713 1.00 8.85 C ATOM 3044 C ARG B 92 -3.831 9.846 -9.160 1.00 8.49 C ATOM 3045 O ARG B 92 -4.027 8.656 -9.454 1.00 12.37 O ATOM 3046 CB ARG B 92 -4.857 10.408 -6.893 1.00 5.80 C ATOM 3047 CG ARG B 92 -4.600 10.378 -5.350 1.00 4.58 C ATOM 3048 CD ARG B 92 -6.012 10.313 -4.665 1.00 6.15 C ATOM 3049 NE ARG B 92 -6.835 11.481 -4.919 1.00 8.51 N ATOM 3050 CZ ARG B 92 -7.799 11.644 -5.816 1.00 11.83 C ATOM 3051 NH1 ARG B 92 -8.211 10.632 -6.629 1.00 10.03 N ATOM 3052 NH2 ARG B 92 -8.478 12.788 -5.966 1.00 13.48 N ATOM 3053 HA ARG B 92 -3.036 9.316 -7.336 1.00 0.00 H ATOM 3054 HB2 ARG B 92 -5.285 11.375 -7.158 1.00 0.00 H ATOM 3055 HB3 ARG B 92 -5.564 9.618 -7.146 1.00 0.00 H ATOM 3056 HG2 ARG B 92 -4.011 9.501 -5.083 1.00 0.00 H ATOM 3057 HG3 ARG B 92 -4.071 11.278 -5.038 1.00 0.00 H ATOM 3058 HD2 ARG B 92 -5.869 10.219 -3.588 1.00 0.00 H ATOM 3059 HD3 ARG B 92 -6.537 9.434 -5.039 1.00 0.00 H ATOM 3060 HE ARG B 92 -6.642 12.305 -4.314 1.00 0.00 H ATOM 3061 HH12 ARG B 92 -8.970 10.797 -7.321 1.00 0.00 H ATOM 3062 HH11 ARG B 92 -7.767 9.694 -6.558 1.00 0.00 H ATOM 3063 HH22 ARG B 92 -9.225 12.859 -6.687 1.00 0.00 H ATOM 3064 HH21 ARG B 92 -8.259 13.606 -5.362 1.00 0.00 H ATOM 3065 H ARG B 92 -3.020 12.176 -7.022 1.00 0.00 H ATOM 3066 N ASP B 93 -3.880 10.841 -10.033 1.00 10.40 N ATOM 3067 CA ASP B 93 -4.132 10.551 -11.436 1.00 13.05 C ATOM 3068 C ASP B 93 -3.052 9.652 -11.981 1.00 13.55 C ATOM 3069 O ASP B 93 -3.396 8.610 -12.530 1.00 13.92 O ATOM 3070 CB ASP B 93 -4.280 11.838 -12.263 1.00 13.63 C ATOM 3071 CG ASP B 93 -3.053 12.742 -12.184 1.00 17.47 C ATOM 3072 OD1 ASP B 93 -2.230 12.701 -11.270 1.00 13.96 O ATOM 3073 OD2 ASP B 93 -2.838 13.565 -13.094 1.00 32.14 O ATOM 3074 HA ASP B 93 -5.083 10.024 -11.514 1.00 0.00 H ATOM 3075 HB2 ASP B 93 -4.444 11.565 -13.305 1.00 0.00 H ATOM 3076 HB3 ASP B 93 -5.144 12.391 -11.894 1.00 0.00 H ATOM 3077 H ASP B 93 -3.739 11.822 -9.718 1.00 0.00 H ATOM 3078 N ILE B 94 -1.769 9.921 -11.737 1.00 11.91 N ATOM 3079 CA ILE B 94 -0.692 9.081 -12.242 1.00 12.90 C ATOM 3080 C ILE B 94 -0.441 7.874 -11.373 1.00 12.09 C ATOM 3081 O ILE B 94 -0.085 6.770 -11.838 1.00 15.76 O ATOM 3082 CB ILE B 94 0.571 9.966 -12.457 1.00 10.30 C ATOM 3083 CG1 ILE B 94 0.304 10.849 -13.664 1.00 14.62 C ATOM 3084 CG2 ILE B 94 1.718 9.020 -12.837 1.00 13.29 C ATOM 3085 CD1 ILE B 94 1.412 11.780 -14.101 1.00 20.61 C ATOM 3086 HA ILE B 94 -0.983 8.658 -13.204 1.00 0.00 H ATOM 3087 HB ILE B 94 0.805 10.557 -11.572 1.00 0.00 H ATOM 3088 HG12 ILE B 94 0.076 10.194 -14.505 1.00 0.00 H ATOM 3089 HG13 ILE B 94 -0.568 11.462 -13.435 1.00 0.00 H ATOM 3090 HD11 ILE B 94 1.652 12.465 -13.287 1.00 0.00 H ATOM 3091 HD12 ILE B 94 2.296 11.196 -14.358 1.00 0.00 H ATOM 3092 HD13 ILE B 94 1.085 12.349 -14.972 1.00 0.00 H ATOM 3093 HG21 ILE B 94 1.880 8.305 -12.031 1.00 0.00 H ATOM 3094 HG22 ILE B 94 1.459 8.486 -13.752 1.00 0.00 H ATOM 3095 HG23 ILE B 94 2.627 9.600 -12.998 1.00 0.00 H ATOM 3096 H ILE B 94 -1.530 10.758 -11.168 1.00 0.00 H ATOM 3097 N LEU B 95 -0.616 7.976 -10.050 1.00 10.01 N ATOM 3098 CA LEU B 95 -0.477 6.827 -9.176 1.00 10.95 C ATOM 3099 C LEU B 95 -1.453 5.702 -9.559 1.00 11.41 C ATOM 3100 O LEU B 95 -1.107 4.532 -9.464 1.00 14.13 O ATOM 3101 CB LEU B 95 -0.723 7.271 -7.730 1.00 8.19 C ATOM 3102 CG LEU B 95 0.412 8.073 -7.102 1.00 10.27 C ATOM 3103 CD1 LEU B 95 0.095 8.427 -5.656 1.00 15.01 C ATOM 3104 CD2 LEU B 95 1.792 7.429 -7.196 1.00 14.11 C ATOM 3105 HA LEU B 95 0.533 6.430 -9.280 1.00 0.00 H ATOM 3106 HB2 LEU B 95 -1.622 7.886 -7.713 1.00 0.00 H ATOM 3107 HB3 LEU B 95 -0.883 6.379 -7.124 1.00 0.00 H ATOM 3108 HG LEU B 95 0.473 8.979 -7.705 1.00 0.00 H ATOM 3109 HD21 LEU B 95 1.776 6.464 -6.690 1.00 0.00 H ATOM 3110 HD22 LEU B 95 2.055 7.287 -8.244 1.00 0.00 H ATOM 3111 HD23 LEU B 95 2.528 8.078 -6.721 1.00 0.00 H ATOM 3112 HD11 LEU B 95 -0.816 9.024 -5.621 1.00 0.00 H ATOM 3113 HD12 LEU B 95 -0.046 7.511 -5.082 1.00 0.00 H ATOM 3114 HD13 LEU B 95 0.921 8.999 -5.234 1.00 0.00 H ATOM 3115 H LEU B 95 -0.857 8.900 -9.639 1.00 0.00 H ATOM 3116 N GLN B 96 -2.690 6.026 -9.924 1.00 12.25 N ATOM 3117 CA GLN B 96 -3.726 5.082 -10.332 1.00 17.46 C ATOM 3118 C GLN B 96 -3.255 4.377 -11.601 1.00 16.32 C ATOM 3119 O GLN B 96 -3.313 3.132 -11.752 1.00 17.14 O ATOM 3120 CB GLN B 96 -5.055 5.803 -10.558 1.00 22.30 C ATOM 3121 CG GLN B 96 -6.223 4.894 -10.886 1.00 38.04 C ATOM 3122 CD GLN B 96 -7.544 5.620 -11.109 1.00 41.26 C ATOM 3123 OE1 GLN B 96 -7.640 6.823 -10.887 1.00 33.95 O ATOM 3124 NE2 GLN B 96 -8.566 4.899 -11.564 1.00 41.76 N ATOM 3125 HA GLN B 96 -3.893 4.345 -9.546 1.00 0.00 H ATOM 3126 HB2 GLN B 96 -5.300 6.356 -9.651 1.00 0.00 H ATOM 3127 HB3 GLN B 96 -4.926 6.502 -11.385 1.00 0.00 H ATOM 3128 HG2 GLN B 96 -5.980 4.341 -11.793 1.00 0.00 H ATOM 3129 HG3 GLN B 96 -6.353 4.195 -10.060 1.00 0.00 H ATOM 3130 HE22 GLN B 96 -8.447 3.881 -11.740 1.00 0.00 H ATOM 3131 HE21 GLN B 96 -9.484 5.354 -11.743 1.00 0.00 H ATOM 3132 H GLN B 96 -2.940 7.035 -9.918 1.00 0.00 H ATOM 3133 N ASP B 97 -2.712 5.160 -12.516 1.00 17.51 N ATOM 3134 CA ASP B 97 -2.173 4.620 -13.770 1.00 21.52 C ATOM 3135 C ASP B 97 -1.061 3.605 -13.489 1.00 20.79 C ATOM 3136 O ASP B 97 -1.003 2.562 -14.134 1.00 21.75 O ATOM 3137 CB ASP B 97 -1.551 5.691 -14.680 1.00 22.46 C ATOM 3138 CG ASP B 97 -2.649 6.520 -15.325 1.00 29.10 C ATOM 3139 OD1 ASP B 97 -3.737 5.928 -15.495 1.00 29.78 O ATOM 3140 OD2 ASP B 97 -2.481 7.721 -15.630 1.00 34.54 O ATOM 3141 HA ASP B 97 -3.030 4.169 -14.270 1.00 0.00 H ATOM 3142 HB2 ASP B 97 -0.908 6.341 -14.087 1.00 0.00 H ATOM 3143 HB3 ASP B 97 -0.959 5.207 -15.457 1.00 0.00 H ATOM 3144 H ASP B 97 -2.665 6.185 -12.344 1.00 0.00 H ATOM 3145 N LEU B 98 -0.148 3.871 -12.571 1.00 16.70 N ATOM 3146 CA LEU B 98 0.934 3.013 -12.227 1.00 18.54 C ATOM 3147 C LEU B 98 0.467 1.844 -11.345 1.00 20.05 C ATOM 3148 O LEU B 98 1.329 0.979 -11.107 1.00 21.48 O ATOM 3149 CB LEU B 98 2.116 3.666 -11.474 1.00 19.09 C ATOM 3150 CG LEU B 98 2.868 4.692 -12.339 1.00 21.10 C ATOM 3151 CD1 LEU B 98 3.819 5.547 -11.521 1.00 20.19 C ATOM 3152 CD2 LEU B 98 3.658 3.976 -13.428 1.00 20.10 C ATOM 3153 HA LEU B 98 1.292 2.696 -13.207 1.00 0.00 H ATOM 3154 HB2 LEU B 98 1.731 4.170 -10.588 1.00 0.00 H ATOM 3155 HB3 LEU B 98 2.813 2.885 -11.172 1.00 0.00 H ATOM 3156 HG LEU B 98 2.118 5.348 -12.781 1.00 0.00 H ATOM 3157 HD21 LEU B 98 4.377 3.298 -12.968 1.00 0.00 H ATOM 3158 HD22 LEU B 98 2.973 3.408 -14.058 1.00 0.00 H ATOM 3159 HD23 LEU B 98 4.187 4.711 -14.035 1.00 0.00 H ATOM 3160 HD11 LEU B 98 3.256 6.091 -10.763 1.00 0.00 H ATOM 3161 HD12 LEU B 98 4.557 4.907 -11.037 1.00 0.00 H ATOM 3162 HD13 LEU B 98 4.325 6.255 -12.177 1.00 0.00 H ATOM 3163 H LEU B 98 -0.226 4.775 -12.062 1.00 0.00 H ATOM 3164 N GLY B 99 -0.748 1.767 -10.854 1.00 17.99 N ATOM 3165 CA GLY B 99 -1.110 0.632 -10.014 1.00 14.87 C ATOM 3166 C GLY B 99 -0.723 0.845 -8.571 1.00 16.39 C ATOM 3167 O GLY B 99 -0.711 -0.124 -7.827 1.00 16.15 O ATOM 3168 HA3 GLY B 99 -0.602 -0.257 -10.387 1.00 0.00 H ATOM 3169 HA2 GLY B 99 -2.188 0.483 -10.070 1.00 0.00 H ATOM 3170 H GLY B 99 -1.446 2.509 -11.062 1.00 0.00 H ATOM 3171 N ALA B 100 -0.396 2.045 -8.081 1.00 14.59 N ATOM 3172 CA ALA B 100 0.005 2.243 -6.692 1.00 16.86 C ATOM 3173 C ALA B 100 -1.199 2.074 -5.770 1.00 15.24 C ATOM 3174 O ALA B 100 -2.323 2.262 -6.192 1.00 17.44 O ATOM 3175 CB ALA B 100 0.477 3.685 -6.433 1.00 16.18 C ATOM 3176 HA ALA B 100 0.798 1.520 -6.504 1.00 0.00 H ATOM 3177 HB1 ALA B 100 1.332 3.906 -7.072 1.00 0.00 H ATOM 3178 HB2 ALA B 100 -0.334 4.377 -6.658 1.00 0.00 H ATOM 3179 HB3 ALA B 100 0.766 3.789 -5.387 1.00 0.00 H ATOM 3180 H ALA B 100 -0.429 2.869 -8.714 1.00 0.00 H ATOM 3181 N LYS B 101 -0.991 1.615 -4.563 1.00 13.07 N ATOM 3182 CA LYS B 101 -2.152 1.472 -3.668 1.00 13.88 C ATOM 3183 C LYS B 101 -1.689 1.843 -2.267 1.00 11.97 C ATOM 3184 O LYS B 101 -0.537 1.636 -1.897 1.00 11.19 O ATOM 3185 CB LYS B 101 -2.703 0.045 -3.731 1.00 16.04 C ATOM 3186 CG LYS B 101 -1.684 -0.943 -3.185 1.00 15.04 C ATOM 3187 CD LYS B 101 -2.178 -2.382 -3.202 1.00 21.09 C ATOM 3188 CE LYS B 101 -2.694 -2.726 -4.594 1.00 19.44 C ATOM 3189 NZ LYS B 101 -2.765 -4.212 -4.748 1.00 21.82 N ATOM 3190 HA LYS B 101 -2.967 2.130 -3.971 1.00 0.00 H ATOM 3191 HB2 LYS B 101 -3.615 -0.014 -3.137 1.00 0.00 H ATOM 3192 HB3 LYS B 101 -2.929 -0.207 -4.767 1.00 0.00 H ATOM 3193 HG2 LYS B 101 -0.780 -0.879 -3.790 1.00 0.00 H ATOM 3194 HG3 LYS B 101 -1.451 -0.668 -2.156 1.00 0.00 H ATOM 3195 HD2 LYS B 101 -1.358 -3.051 -2.943 1.00 0.00 H ATOM 3196 HD3 LYS B 101 -2.983 -2.499 -2.477 1.00 0.00 H ATOM 3197 HE2 LYS B 101 -2.018 -2.315 -5.344 1.00 0.00 H ATOM 3198 HE3 LYS B 101 -3.688 -2.299 -4.729 1.00 0.00 H ATOM 3199 HZ1 LYS B 101 -1.816 -4.618 -4.620 1.00 0.00 H ATOM 3200 HZ2 LYS B 101 -3.411 -4.603 -4.032 1.00 0.00 H ATOM 3201 HZ3 LYS B 101 -3.117 -4.444 -5.699 1.00 0.00 H ATOM 3202 H LYS B 101 -0.035 1.359 -4.245 1.00 0.00 H ATOM 3203 N LEU B 102 -2.564 2.404 -1.429 1.00 10.26 N ATOM 3204 CA LEU B 102 -2.195 2.717 -0.064 1.00 7.74 C ATOM 3205 C LEU B 102 -2.930 1.652 0.813 1.00 12.99 C ATOM 3206 O LEU B 102 -4.146 1.467 0.565 1.00 12.51 O ATOM 3207 CB LEU B 102 -2.880 4.070 0.362 1.00 7.28 C ATOM 3208 CG LEU B 102 -2.574 4.537 1.753 1.00 10.15 C ATOM 3209 CD1 LEU B 102 -1.098 4.807 2.011 1.00 13.02 C ATOM 3210 CD2 LEU B 102 -3.166 5.935 2.046 1.00 18.41 C ATOM 3211 HA LEU B 102 -1.111 2.753 0.040 1.00 0.00 H ATOM 3212 HB2 LEU B 102 -2.555 4.845 -0.332 1.00 0.00 H ATOM 3213 HB3 LEU B 102 -3.959 3.941 0.280 1.00 0.00 H ATOM 3214 HG LEU B 102 -2.978 3.723 2.355 1.00 0.00 H ATOM 3215 HD21 LEU B 102 -2.748 6.659 1.347 1.00 0.00 H ATOM 3216 HD22 LEU B 102 -4.249 5.901 1.931 1.00 0.00 H ATOM 3217 HD23 LEU B 102 -2.916 6.227 3.066 1.00 0.00 H ATOM 3218 HD11 LEU B 102 -0.529 3.892 1.848 1.00 0.00 H ATOM 3219 HD12 LEU B 102 -0.747 5.581 1.329 1.00 0.00 H ATOM 3220 HD13 LEU B 102 -0.965 5.140 3.040 1.00 0.00 H ATOM 3221 H LEU B 102 -3.525 2.620 -1.762 1.00 0.00 H ATOM 3222 N VAL B 103 -2.214 1.013 1.695 1.00 9.81 N ATOM 3223 CA VAL B 103 -2.793 -0.015 2.546 1.00 15.48 C ATOM 3224 C VAL B 103 -2.797 0.450 3.991 1.00 18.87 C ATOM 3225 O VAL B 103 -1.731 0.726 4.522 1.00 18.89 O ATOM 3226 CB VAL B 103 -1.944 -1.283 2.559 1.00 14.64 C ATOM 3227 CG1 VAL B 103 -2.562 -2.509 3.218 1.00 20.47 C ATOM 3228 CG2 VAL B 103 -1.662 -1.680 1.114 1.00 15.02 C ATOM 3229 HA VAL B 103 -3.791 -0.206 2.152 1.00 0.00 H ATOM 3230 HB VAL B 103 -1.067 -1.018 3.150 1.00 0.00 H ATOM 3231 HG11 VAL B 103 -2.782 -2.287 4.262 1.00 0.00 H ATOM 3232 HG12 VAL B 103 -3.484 -2.773 2.700 1.00 0.00 H ATOM 3233 HG13 VAL B 103 -1.861 -3.342 3.162 1.00 0.00 H ATOM 3234 HG21 VAL B 103 -2.605 -1.864 0.599 1.00 0.00 H ATOM 3235 HG22 VAL B 103 -1.125 -0.873 0.615 1.00 0.00 H ATOM 3236 HG23 VAL B 103 -1.055 -2.586 1.099 1.00 0.00 H ATOM 3237 H VAL B 103 -1.205 1.244 1.793 1.00 0.00 H ATOM 3238 N LEU B 104 -3.996 0.406 4.557 1.00 19.02 N ATOM 3239 CA LEU B 104 -4.094 0.783 5.959 1.00 24.22 C ATOM 3240 C LEU B 104 -4.668 -0.458 6.659 1.00 29.98 C ATOM 3241 O LEU B 104 -3.993 -1.183 7.420 1.00 32.58 O ATOM 3242 CB LEU B 104 -4.972 2.005 6.112 1.00 28.20 C ATOM 3243 CG LEU B 104 -4.813 2.789 7.422 1.00 36.20 C ATOM 3244 CD1 LEU B 104 -6.192 3.101 7.970 1.00 44.46 C ATOM 3245 CD2 LEU B 104 -4.009 2.056 8.491 1.00 39.01 C ATOM 3246 HA LEU B 104 -3.136 1.063 6.398 1.00 0.00 H ATOM 3247 OXT LEU B 104 -5.866 -0.696 6.408 1.00 32.06 O ATOM 3248 HB2 LEU B 104 -4.747 2.683 5.288 1.00 0.00 H ATOM 3249 HB3 LEU B 104 -6.010 1.681 6.041 1.00 0.00 H ATOM 3250 HG LEU B 104 -4.254 3.693 7.182 1.00 0.00 H ATOM 3251 HD21 LEU B 104 -4.504 1.117 8.736 1.00 0.00 H ATOM 3252 HD22 LEU B 104 -3.007 1.852 8.114 1.00 0.00 H ATOM 3253 HD23 LEU B 104 -3.943 2.677 9.384 1.00 0.00 H ATOM 3254 HD11 LEU B 104 -6.743 3.698 7.244 1.00 0.00 H ATOM 3255 HD12 LEU B 104 -6.727 2.170 8.157 1.00 0.00 H ATOM 3256 HD13 LEU B 104 -6.094 3.658 8.902 1.00 0.00 H ATOM 3257 H LEU B 104 -4.836 0.113 4.018 1.00 0.00 H TER 3258 LEU B 104 HETATM 3259 O HOH 1 0.014 22.304 0.050 1.00 11.38 O HETATM 3260 O HOH 2 6.060 12.876 2.667 1.00 11.42 O HETATM 3261 O HOH 3 6.334 15.717 2.384 1.00 11.76 O HETATM 3262 O HOH 4 -9.950 9.518 20.850 1.00 20.23 O HETATM 3263 O HOH 5 -6.224 18.883 22.221 1.00 15.26 O HETATM 3264 O HOH 6 -11.119 16.477 6.946 1.00 18.12 O HETATM 3265 O HOH 7 4.452 2.107 8.049 1.00 20.85 O HETATM 3266 O HOH 8 -3.310 28.821 10.405 1.00 18.88 O HETATM 3267 O HOH 9 -12.469 21.522 8.547 1.00 24.43 O HETATM 3268 O HOH 10 -14.176 16.975 6.802 1.00 59.93 O HETATM 3269 O HOH 11 1.913 16.818 13.789 1.00 23.89 O HETATM 3270 O HOH 12 10.419 23.409 11.968 1.00 35.93 O HETATM 3271 O HOH 13 -0.526 31.913 8.816 1.00 28.52 O HETATM 3272 O HOH 14 -16.043 24.172 14.326 1.00 22.61 O HETATM 3273 O HOH 15 0.964 6.565 21.602 1.00 31.90 O HETATM 3274 O HOH 16 -16.856 19.637 25.308 1.00 25.27 O HETATM 3275 O HOH 17 6.358 23.247 12.326 1.00 29.05 O HETATM 3276 O HOH 18 -11.145 4.396 -4.670 1.00 33.79 O HETATM 3277 O HOH 19 -3.869 0.840 23.895 1.00 66.56 O HETATM 3278 O HOH 20 -8.589 5.933 -2.652 1.00 16.86 O HETATM 3279 O HOH 21 4.670 23.645 19.656 1.00 37.73 O HETATM 3280 O HOH 22 4.780 1.222 10.362 1.00 29.17 O HETATM 3281 O HOH 23 3.396 17.634 15.512 1.00 44.12 O HETATM 3282 O HOH 24 -10.819 2.231 0.052 1.00 34.52 O HETATM 3283 O HOH 25 7.914 25.089 6.212 1.00 44.85 O HETATM 3284 O HOH 26 -10.865 1.305 13.850 1.00 33.85 O HETATM 3285 O HOH 27 9.812 17.127 8.063 1.00 30.92 O HETATM 3286 O HOH 28 7.346 12.472 9.776 1.00 32.54 O HETATM 3287 O HOH 29 -17.876 14.869 14.562 1.00 36.76 O HETATM 3288 O HOH 30 -3.099 28.078 13.735 1.00 33.71 O HETATM 3289 O HOH 31 -8.862 32.454 9.600 1.00 56.05 O HETATM 3290 O HOH 32 -13.549 21.515 3.899 1.00 35.39 O HETATM 3291 O HOH 33 -16.286 17.910 7.976 1.00 34.90 O HETATM 3292 O HOH 34 -7.553 23.092 27.159 1.00 34.80 O HETATM 3293 O HOH 35 -12.494 6.640 1.293 1.00 29.49 O HETATM 3294 O HOH 36 -17.511 23.531 12.877 1.00 30.68 O HETATM 3295 O HOH 37 9.970 12.040 8.604 1.00 36.36 O HETATM 3296 O HOH 38 -5.765 28.322 14.291 1.00 41.15 O HETATM 3297 O HOH 39 5.735 8.231 13.993 1.00 33.24 O HETATM 3298 O HOH 40 -16.763 9.641 -2.994 1.00 68.87 O HETATM 3299 O HOH 41 -1.467 13.392 24.046 1.00 30.89 O HETATM 3300 O HOH 42 -12.906 10.104 -0.375 1.00 30.89 O HETATM 3301 O HOH 43 -15.291 26.594 14.334 1.00 34.65 O HETATM 3302 O HOH 44 -15.467 15.170 9.756 1.00 32.46 O HETATM 3303 O HOH 45 -12.241 4.379 4.783 1.00 40.53 O HETATM 3304 O HOH 46 4.963 32.277 2.729 1.00 46.30 O HETATM 3305 O HOH 47 -16.646 21.347 11.349 1.00 42.33 O HETATM 3306 O HOH 48 -11.129 6.310 -0.959 1.00 67.19 O HETATM 3307 O HOH 49 0.128 29.088 22.507 1.00 56.95 O HETATM 3308 O HOH 50 -1.849 29.910 15.427 1.00 43.19 O HETATM 3309 O HOH 51 4.058 19.554 17.919 1.00 62.57 O HETATM 3310 O HOH 52 7.725 26.918 2.499 1.00 48.42 O HETATM 3311 O HOH 53 -12.217 12.034 -4.225 1.00 22.88 O HETATM 3312 O HOH 54 4.712 24.053 14.058 1.00 32.73 O HETATM 3313 O HOH 55 4.024 29.004 12.666 1.00 29.50 O HETATM 3314 O HOH 56 -9.611 10.077 23.919 1.00 40.91 O HETATM 3315 O HOH 57 4.417 14.055 20.405 1.00 65.52 O HETATM 3316 O HOH 58 -21.850 16.470 28.150 1.00 46.80 O HETATM 3317 O HOH 59 0.299 3.618 22.042 1.00 43.97 O HETATM 3318 O HOH 60 1.366 36.560 13.171 1.00 49.26 O HETATM 3319 O HOH 61 7.746 10.191 12.950 1.00 52.03 O HETATM 3320 O HOH 62 0.659 31.735 15.230 1.00 44.59 O HETATM 3321 O HOH 63 -2.601 30.396 17.943 1.00 43.80 O HETATM 3322 O HOH 64 9.134 9.772 10.296 1.00 38.94 O HETATM 3323 O HOH 65 4.394 27.090 24.720 1.00 49.52 O HETATM 3324 O HOH 66 3.138 11.389 15.991 1.00 65.70 O HETATM 3325 O HOH 67 6.758 20.810 12.567 1.00 49.40 O HETATM 3326 O HOH 68 -12.957 14.437 -0.184 1.00 41.99 O HETATM 3327 O HOH 69 8.802 16.502 10.566 1.00 66.87 O HETATM 3328 O HOH 70 2.833 30.003 14.335 1.00 40.60 O HETATM 3329 O HOH 71 -7.313 -4.082 5.766 1.00 44.10 O HETATM 3330 O HOH 72 8.340 24.517 11.182 1.00 37.21 O HETATM 3331 O HOH 73 6.615 12.890 16.943 1.00 48.94 O HETATM 3332 O HOH 74 9.613 14.669 9.407 1.00 53.06 O HETATM 3333 O HOH 75 -2.130 -4.323 12.670 1.00 59.12 O HETATM 3334 O HOH 76 7.271 17.177 14.326 1.00 67.57 O HETATM 3335 O HOH 77 -17.613 24.840 16.671 1.00 48.60 O HETATM 3336 O HOH 78 4.608 31.745 21.135 1.00 53.67 O HETATM 3337 O HOH 79 0.508 1.824 16.547 1.00 65.21 O HETATM 3338 O HOH 80 12.432 11.965 7.238 1.00 46.61 O HETATM 3339 O HOH 81 -15.895 11.670 7.586 1.00 32.69 O HETATM 3340 O HOH 82 -13.679 2.206 17.827 1.00 54.38 O HETATM 3341 O HOH 83 5.408 9.749 16.747 1.00 68.71 O HETATM 3342 O HOH 84 5.998 26.288 0.321 1.00 39.30 O HETATM 3343 O HOH 85 -1.819 -0.779 23.776 1.00 73.68 O HETATM 3344 O HOH 86 -16.881 27.115 17.823 1.00 61.14 O HETATM 3345 O HOH 87 7.263 28.295 21.266 1.00 26.80 O HETATM 3346 O HOH 88 6.877 8.480 9.757 1.00 36.69 O HETATM 3347 O HOH 89 7.391 27.722 8.391 1.00 33.87 O HETATM 3348 O HOH 90 -10.720 1.545 16.841 1.00 35.92 O HETATM 3349 O HOH 91 -19.113 18.443 25.509 1.00 64.15 O HETATM 3350 O HOH 92 -10.638 4.208 -2.336 1.00 33.95 O HETATM 3351 O HOH 93 -9.276 13.639 25.009 1.00 40.13 O HETATM 3352 O HOH 94 1.044 14.178 23.557 1.00 46.32 O HETATM 3353 O HOH 95 -10.544 29.752 11.608 1.00 58.67 O HETATM 3354 O HOH 96 -2.786 0.526 21.423 1.00 61.42 O HETATM 3355 O HOH 97 -18.503 11.786 21.107 1.00 53.47 O HETATM 3356 O HOH 98 -7.394 2.269 22.697 1.00 57.64 O HETATM 3357 O HOH 99 12.839 22.076 7.827 1.00 56.61 O HETATM 3358 O HOH 100 -17.590 17.939 0.607 1.00 41.12 O HETATM 3359 O HOH 101 11.947 19.388 8.902 1.00 48.48 O HETATM 3360 O HOH 102 -19.983 16.009 26.242 1.00 64.04 O HETATM 3361 O HOH 103 6.242 28.406 -1.645 1.00 59.53 O HETATM 3362 O HOH 104 -6.711 25.183 25.168 1.00 52.89 O HETATM 3363 O HOH 105 4.443 28.610 -4.998 1.00 46.72 O HETATM 3364 O HOH 106 -9.589 24.198 25.239 1.00 50.00 O HETATM 3365 O HOH 107 6.622 30.929 1.001 1.00 66.43 O HETATM 3366 O HOH 108 5.186 14.985 17.988 1.00 62.56 O HETATM 3367 O HOH 109 1.067 14.701 14.696 1.00 76.64 O HETATM 3368 O HOH 110 -15.968 21.277 22.826 1.00 48.41 O HETATM 3369 O HOH 111 -11.356 14.378 4.587 1.00 57.85 O HETATM 3370 O HOH 112 -3.348 31.334 8.297 1.00 55.52 O HETATM 3371 O HOH 113 3.434 9.517 20.196 1.00 77.95 O HETATM 3372 O HOH 114 3.307 11.158 23.296 1.00 61.67 O HETATM 3373 O HOH 115 -12.136 1.042 19.890 1.00 77.24 O HETATM 3374 O HOH 116 0.211 -3.938 1.545 1.00 64.53 O HETATM 3375 O HOH 117 -11.540 -0.131 15.558 1.00 61.34 O HETATM 3376 O HOH 118 14.493 12.334 6.977 1.00 64.50 O HETATM 3377 O HOH 119 5.514 19.238 13.600 1.00 66.66 O HETATM 3378 O HOH 120 -3.502 31.450 11.802 1.00 71.08 O HETATM 3379 O HOH 121 -15.486 21.725 8.911 1.00 71.97 O HETATM 3380 O HOH 122 -18.780 11.600 -5.690 1.00 63.67 O HETATM 3381 O HOH 123 0.882 35.063 15.848 1.00 71.79 O HETATM 3382 O HOH 124 7.804 25.567 9.048 1.00 52.03 O HETATM 3383 O HOH 125 -4.086 26.790 26.232 1.00 67.02 O HETATM 3384 O HOH 126 2.492 33.298 5.890 1.00 66.13 O HETATM 3385 O HOH 127 -19.256 17.564 17.302 1.00 68.11 O HETATM 3386 O HOH 128 -9.966 1.049 -3.031 1.00 67.78 O HETATM 3387 O HOH 129 -6.060 12.876 -2.667 1.00 11.42 O HETATM 3388 O HOH 130 -6.334 15.717 -2.384 1.00 11.76 O HETATM 3389 O HOH 131 9.950 9.518 -20.850 1.00 20.23 O HETATM 3390 O HOH 132 6.224 18.883 -22.221 1.00 15.26 O HETATM 3391 O HOH 133 11.119 16.477 -6.946 1.00 18.12 O HETATM 3392 O HOH 134 -4.452 2.107 -8.049 1.00 20.85 O HETATM 3393 O HOH 135 3.310 28.821 -10.405 1.00 18.88 O HETATM 3394 O HOH 136 12.469 21.522 -8.547 1.00 24.43 O HETATM 3395 O HOH 137 14.176 16.975 -6.802 1.00 59.93 O HETATM 3396 O HOH 138 -1.913 16.818 -13.789 1.00 23.89 O HETATM 3397 O HOH 139 -10.419 23.409 -11.968 1.00 35.93 O HETATM 3398 O HOH 140 0.526 31.913 -8.816 1.00 28.52 O HETATM 3399 O HOH 141 16.043 24.172 -14.326 1.00 22.61 O HETATM 3400 O HOH 142 -0.964 6.565 -21.602 1.00 31.90 O HETATM 3401 O HOH 143 16.856 19.637 -25.308 1.00 25.27 O HETATM 3402 O HOH 144 -6.358 23.247 -12.326 1.00 29.05 O HETATM 3403 O HOH 145 11.145 4.396 4.670 1.00 33.79 O HETATM 3404 O HOH 146 3.869 0.840 -23.895 1.00 66.56 O HETATM 3405 O HOH 147 8.589 5.933 2.652 1.00 16.86 O HETATM 3406 O HOH 148 -4.670 23.645 -19.656 1.00 37.73 O HETATM 3407 O HOH 149 -4.780 1.222 -10.362 1.00 29.17 O HETATM 3408 O HOH 150 -3.396 17.634 -15.512 1.00 44.12 O HETATM 3409 O HOH 151 10.819 2.231 -0.052 1.00 34.52 O HETATM 3410 O HOH 152 -7.914 25.089 -6.212 1.00 44.85 O HETATM 3411 O HOH 153 10.865 1.305 -13.850 1.00 33.85 O HETATM 3412 O HOH 154 -9.812 17.127 -8.063 1.00 30.92 O HETATM 3413 O HOH 155 -7.346 12.472 -9.776 1.00 32.54 O HETATM 3414 O HOH 156 17.876 14.869 -14.562 1.00 36.76 O HETATM 3415 O HOH 157 3.099 28.078 -13.735 1.00 33.71 O HETATM 3416 O HOH 158 8.862 32.454 -9.600 1.00 56.05 O HETATM 3417 O HOH 159 13.549 21.515 -3.899 1.00 35.39 O HETATM 3418 O HOH 160 16.286 17.910 -7.976 1.00 34.90 O HETATM 3419 O HOH 161 7.553 23.092 -27.159 1.00 34.80 O HETATM 3420 O HOH 162 12.494 6.640 -1.293 1.00 29.49 O HETATM 3421 O HOH 163 17.511 23.531 -12.877 1.00 30.68 O HETATM 3422 O HOH 164 -9.970 12.040 -8.604 1.00 36.36 O HETATM 3423 O HOH 165 5.765 28.322 -14.291 1.00 41.15 O HETATM 3424 O HOH 166 -5.735 8.231 -13.993 1.00 33.24 O HETATM 3425 O HOH 167 16.763 9.641 2.994 1.00 68.87 O HETATM 3426 O HOH 168 1.467 13.392 -24.046 1.00 30.89 O HETATM 3427 O HOH 169 12.906 10.104 0.375 1.00 30.89 O HETATM 3428 O HOH 170 15.291 26.594 -14.334 1.00 34.65 O HETATM 3429 O HOH 171 15.467 15.170 -9.756 1.00 32.46 O HETATM 3430 O HOH 172 12.241 4.379 -4.783 1.00 40.53 O HETATM 3431 O HOH 173 -4.963 32.277 -2.729 1.00 46.30 O HETATM 3432 O HOH 174 16.646 21.347 -11.349 1.00 42.33 O HETATM 3433 O HOH 175 11.129 6.310 0.959 1.00 67.19 O HETATM 3434 O HOH 176 -0.128 29.088 -22.507 1.00 56.95 O HETATM 3435 O HOH 177 1.849 29.910 -15.427 1.00 43.19 O HETATM 3436 O HOH 178 -4.058 19.554 -17.919 1.00 62.57 O HETATM 3437 O HOH 179 -7.725 26.918 -2.499 1.00 48.42 O HETATM 3438 O HOH 180 12.217 12.034 4.225 1.00 22.88 O HETATM 3439 O HOH 181 -4.712 24.053 -14.058 1.00 32.73 O HETATM 3440 O HOH 182 -4.024 29.004 -12.666 1.00 29.50 O HETATM 3441 O HOH 183 9.611 10.077 -23.919 1.00 40.91 O HETATM 3442 O HOH 184 -4.417 14.055 -20.405 1.00 65.52 O HETATM 3443 O HOH 185 21.850 16.470 -28.150 1.00 46.80 O HETATM 3444 O HOH 186 -0.299 3.618 -22.042 1.00 43.97 O HETATM 3445 O HOH 187 -1.366 36.560 -13.171 1.00 49.26 O HETATM 3446 O HOH 188 -7.746 10.191 -12.950 1.00 52.03 O HETATM 3447 O HOH 189 -0.659 31.735 -15.230 1.00 44.59 O HETATM 3448 O HOH 190 2.601 30.396 -17.943 1.00 43.80 O HETATM 3449 O HOH 191 -9.134 9.772 -10.296 1.00 38.94 O HETATM 3450 O HOH 192 -4.394 27.090 -24.720 1.00 49.52 O HETATM 3451 O HOH 193 -3.138 11.389 -15.991 1.00 65.70 O HETATM 3452 O HOH 194 -6.758 20.810 -12.567 1.00 49.40 O HETATM 3453 O HOH 195 12.957 14.437 0.184 1.00 41.99 O HETATM 3454 O HOH 196 -8.802 16.502 -10.566 1.00 66.87 O HETATM 3455 O HOH 197 -2.833 30.003 -14.335 1.00 40.60 O HETATM 3456 O HOH 198 7.313 -4.082 -5.766 1.00 44.10 O HETATM 3457 O HOH 199 -8.340 24.517 -11.182 1.00 37.21 O HETATM 3458 O HOH 200 -6.615 12.890 -16.943 1.00 48.94 O HETATM 3459 O HOH 201 -9.613 14.669 -9.407 1.00 53.06 O HETATM 3460 O HOH 202 2.130 -4.323 -12.670 1.00 59.12 O HETATM 3461 O HOH 203 -7.271 17.177 -14.326 1.00 67.57 O HETATM 3462 O HOH 204 17.613 24.840 -16.671 1.00 48.60 O HETATM 3463 O HOH 205 -4.608 31.745 -21.135 1.00 53.67 O HETATM 3464 O HOH 206 -0.508 1.824 -16.547 1.00 65.21 O HETATM 3465 O HOH 207 -12.432 11.965 -7.238 1.00 46.61 O HETATM 3466 O HOH 208 15.895 11.670 -7.586 1.00 32.69 O HETATM 3467 O HOH 209 13.679 2.206 -17.827 1.00 54.38 O HETATM 3468 O HOH 210 -5.408 9.749 -16.747 1.00 68.71 O HETATM 3469 O HOH 211 -5.998 26.288 -0.321 1.00 39.30 O HETATM 3470 O HOH 212 1.819 -0.779 -23.776 1.00 73.68 O HETATM 3471 O HOH 213 16.881 27.115 -17.823 1.00 61.14 O HETATM 3472 O HOH 214 -6.877 8.480 -9.757 1.00 36.69 O HETATM 3473 O HOH 215 -7.391 27.722 -8.391 1.00 33.87 O HETATM 3474 O HOH 216 10.720 1.545 -16.841 1.00 35.92 O HETATM 3475 O HOH 217 19.113 18.443 -25.509 1.00 64.15 O HETATM 3476 O HOH 218 10.638 4.208 2.336 1.00 33.95 O HETATM 3477 O HOH 219 9.276 13.639 -25.009 1.00 40.13 O HETATM 3478 O HOH 220 -1.044 14.178 -23.557 1.00 46.32 O HETATM 3479 O HOH 221 10.544 29.752 -11.608 1.00 58.67 O HETATM 3480 O HOH 222 2.786 0.526 -21.423 1.00 61.42 O HETATM 3481 O HOH 223 18.503 11.786 -21.107 1.00 53.47 O HETATM 3482 O HOH 224 7.394 2.269 -22.697 1.00 57.64 O HETATM 3483 O HOH 225 -12.839 22.076 -7.827 1.00 56.61 O HETATM 3484 O HOH 226 17.590 17.939 -0.607 1.00 41.12 O HETATM 3485 O HOH 227 -11.947 19.388 -8.902 1.00 48.48 O HETATM 3486 O HOH 228 19.983 16.009 -26.242 1.00 64.04 O HETATM 3487 O HOH 229 -6.242 28.406 1.645 1.00 59.53 O HETATM 3488 O HOH 230 6.711 25.183 -25.168 1.00 52.89 O HETATM 3489 O HOH 231 -4.443 28.610 4.998 1.00 46.72 O HETATM 3490 O HOH 232 9.589 24.198 -25.239 1.00 50.00 O HETATM 3491 O HOH 233 -6.622 30.929 -1.001 1.00 66.43 O HETATM 3492 O HOH 234 -5.186 14.985 -17.988 1.00 62.56 O HETATM 3493 O HOH 235 -1.067 14.701 -14.696 1.00 76.64 O HETATM 3494 O HOH 236 15.968 21.277 -22.826 1.00 48.41 O HETATM 3495 O HOH 237 11.356 14.378 -4.587 1.00 57.85 O HETATM 3496 O HOH 238 3.348 31.334 -8.297 1.00 55.52 O HETATM 3497 O HOH 239 -3.434 9.517 -20.196 1.00 77.95 O HETATM 3498 O HOH 240 -3.307 11.158 -23.296 1.00 61.67 O HETATM 3499 O HOH 241 12.136 1.042 -19.890 1.00 77.24 O HETATM 3500 O HOH 242 -0.211 -3.938 -1.545 1.00 64.53 O HETATM 3501 O HOH 243 11.540 -0.131 -15.558 1.00 61.34 O HETATM 3502 O HOH 244 -14.493 12.334 -6.977 1.00 64.50 O HETATM 3503 O HOH 245 -5.514 19.238 -13.600 1.00 66.66 O HETATM 3504 O HOH 246 3.502 31.450 -11.802 1.00 71.08 O HETATM 3505 O HOH 247 15.486 21.725 -8.911 1.00 71.97 O HETATM 3506 O HOH 248 18.780 11.600 5.690 1.00 63.67 O HETATM 3507 O HOH 249 -0.882 35.063 -15.848 1.00 71.79 O HETATM 3508 O HOH 250 -7.804 25.567 -9.048 1.00 52.03 O HETATM 3509 O HOH 251 4.086 26.790 -26.232 1.00 67.02 O HETATM 3510 O HOH 252 -2.492 33.298 -5.890 1.00 66.13 O HETATM 3511 O HOH 253 19.256 17.564 -17.302 1.00 68.11 O HETATM 3512 O HOH 254 9.966 1.049 3.031 1.00 67.78 O HETATM 3513 S1 HYB A 255 6.488 21.119 6.520 1.00 -0.02 S HETATM 3514 O2 HYB A 255 6.964 22.374 6.008 1.00 -0.17 O HETATM 3515 O3 HYB A 255 5.111 21.007 6.876 1.00 -0.17 O HETATM 3516 C36 HYB A 255 6.977 19.900 5.311 1.00 0.09 C HETATM 3517 C34 HYB A 255 6.118 20.038 4.013 1.00 0.08 C HETATM 3518 C32 HYB A 255 4.773 19.287 4.106 1.00 0.18 C HETATM 3519 N25 HYB A 255 3.696 19.957 3.611 1.00 -0.27 N HETATM 3520 C26 HYB A 255 2.319 19.400 3.559 1.00 0.13 C HETATM 3521 C27 HYB A 255 1.830 19.787 2.111 1.00 0.20 C HETATM 3522 O28 HYB A 255 1.110 20.734 1.838 1.00 -0.39 O HETATM 3523 N16 HYB A 255 2.244 18.878 1.154 1.00 -0.28 N HETATM 3524 C17 HYB A 255 1.927 19.016 -0.278 1.00 0.07 C HETATM 3525 C15 HYB A 255 1.191 17.714 -0.701 1.00 0.07 C HETATM 3526 O14 HYB A 255 2.159 16.632 -0.443 1.00 -0.39 O HETATM 3527 H8 HYB A 255 1.771 15.798 -0.682 1.00 0.21 H HETATM 3528 H9 HYB A 255 0.281 17.571 -0.100 1.00 0.06 H HETATM 3529 H10 HYB A 255 0.924 17.749 -1.768 1.00 0.06 H HETATM 3530 C18 HYB A 255 3.260 19.198 -1.043 1.00 0.01 C HETATM 3531 C19 HYB A 255 3.985 20.527 -0.994 1.00 -0.04 C HETATM 3532 C20 HYB A 255 5.032 20.801 -0.107 1.00 -0.06 C HETATM 3533 C21 HYB A 255 5.734 22.013 -0.110 1.00 -0.07 C HETATM 3534 C22 HYB A 255 5.369 22.999 -1.034 1.00 -0.07 C HETATM 3535 C23 HYB A 255 4.347 22.743 -1.945 1.00 -0.07 C HETATM 3536 C24 HYB A 255 3.659 21.526 -1.927 1.00 -0.06 C HETATM 3537 H19 HYB A 255 2.864 21.351 -2.642 1.00 0.06 H HETATM 3538 H18 HYB A 255 4.082 23.497 -2.677 1.00 0.06 H HETATM 3539 H17 HYB A 255 5.878 23.956 -1.040 1.00 0.06 H HETATM 3540 H16 HYB A 255 6.544 22.184 0.590 1.00 0.06 H HETATM 3541 H15 HYB A 255 5.312 20.042 0.614 1.00 0.06 H HETATM 3542 H13 HYB A 255 3.049 18.990 -2.102 1.00 0.04 H HETATM 3543 H14 HYB A 255 3.957 18.442 -0.652 1.00 0.04 H HETATM 3544 H12 HYB A 255 1.278 19.887 -0.451 1.00 0.06 H HETATM 3545 H11 HYB A 255 2.784 18.090 1.448 1.00 0.19 H HETATM 3546 C29 HYB A 255 1.381 19.922 4.675 1.00 -0.01 C HETATM 3547 C30 HYB A 255 -0.090 19.597 4.367 1.00 -0.06 C HETATM 3548 H23 HYB A 255 -0.728 19.980 5.177 1.00 0.02 H HETATM 3549 H24 HYB A 255 -0.216 18.507 4.286 1.00 0.02 H HETATM 3550 H25 HYB A 255 -0.379 20.071 3.417 1.00 0.02 H HETATM 3551 C31 HYB A 255 1.870 19.288 5.998 1.00 -0.06 C HETATM 3552 H26 HYB A 255 2.924 19.554 6.164 1.00 0.02 H HETATM 3553 H27 HYB A 255 1.773 18.194 5.938 1.00 0.02 H HETATM 3554 H28 HYB A 255 1.261 19.665 6.833 1.00 0.02 H HETATM 3555 H22 HYB A 255 1.479 21.015 4.747 1.00 0.03 H HETATM 3556 H21 HYB A 255 2.365 18.305 3.652 1.00 0.08 H HETATM 3557 H20 HYB A 255 3.841 20.882 3.260 1.00 0.19 H HETATM 3558 O33 HYB A 255 4.710 18.128 4.534 1.00 -0.40 O HETATM 3559 C35 HYB A 255 6.841 19.425 2.786 1.00 0.00 C HETATM 3560 C7 HYB A 255 7.825 20.449 2.193 1.00 -0.03 C HETATM 3561 C6 HYB A 255 7.793 21.777 2.433 1.00 -0.06 C HETATM 3562 C5 HYB A 255 8.756 22.657 1.797 1.00 -0.07 C HETATM 3563 C4 HYB A 255 9.695 22.148 0.952 1.00 -0.06 C HETATM 3564 C9 HYB A 255 9.753 20.740 0.673 1.00 -0.02 C HETATM 3565 C8 HYB A 255 8.837 19.857 1.259 1.00 -0.01 C HETATM 3566 C13 HYB A 255 8.900 18.489 0.968 1.00 -0.05 C HETATM 3567 C12 HYB A 255 9.875 17.999 0.095 1.00 -0.06 C HETATM 3568 C11 HYB A 255 10.811 18.894 -0.493 1.00 -0.06 C HETATM 3569 C10 HYB A 255 10.763 20.235 -0.215 1.00 -0.06 C HETATM 3570 H4 HYB A 255 11.483 20.911 -0.662 1.00 0.06 H HETATM 3571 H5 HYB A 255 11.569 18.512 -1.167 1.00 0.06 H HETATM 3572 H6 HYB A 255 9.918 16.940 -0.133 1.00 0.06 H HETATM 3573 H7 HYB A 255 8.190 17.807 1.422 1.00 0.06 H HETATM 3574 H1 HYB A 255 10.409 22.815 0.483 1.00 0.05 H HETATM 3575 H2 HYB A 255 8.728 23.722 1.995 1.00 0.06 H HETATM 3576 H3 HYB A 255 7.046 22.187 3.103 1.00 0.05 H HETATM 3577 H30 HYB A 255 7.394 18.527 3.099 1.00 0.05 H HETATM 3578 H31 HYB A 255 6.097 19.150 2.024 1.00 0.05 H HETATM 3579 H29 HYB A 255 5.929 21.107 3.837 1.00 0.06 H HETATM 3580 H32 HYB A 255 6.835 18.894 5.734 1.00 0.05 H HETATM 3581 H33 HYB A 255 8.038 20.045 5.060 1.00 0.05 H HETATM 3582 C38 HYB A 255 7.442 20.717 8.043 1.00 0.08 C HETATM 3583 C39 HYB A 255 7.132 21.866 9.033 1.00 -0.04 C HETATM 3584 H37 HYB A 255 7.672 21.694 9.976 1.00 0.03 H HETATM 3585 H38 HYB A 255 6.050 21.898 9.231 1.00 0.03 H HETATM 3586 H39 HYB A 255 7.453 22.823 8.596 1.00 0.03 H HETATM 3587 C40 HYB A 255 8.956 20.660 7.723 1.00 -0.04 C HETATM 3588 H40 HYB A 255 9.515 20.419 8.639 1.00 0.03 H HETATM 3589 H41 HYB A 255 9.286 21.636 7.337 1.00 0.03 H HETATM 3590 H42 HYB A 255 9.142 19.884 6.965 1.00 0.03 H HETATM 3591 C37 HYB A 255 6.931 19.408 8.697 1.00 -0.04 C HETATM 3592 H34 HYB A 255 7.520 19.196 9.602 1.00 0.03 H HETATM 3593 H35 HYB A 255 7.040 18.576 7.986 1.00 0.03 H HETATM 3594 H36 HYB A 255 5.871 19.523 8.968 1.00 0.03 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 1630 1631 1645 1646 1647 CONECT 1645 1630 CONECT 1646 1630 CONECT 1647 1630 CONECT 3513 3514 3515 3516 3582 CONECT 3514 3513 CONECT 3515 3513 CONECT 3516 3513 3517 3580 3581 CONECT 3517 3516 3518 3559 3579 CONECT 3518 3517 3519 3558 CONECT 3519 3518 3520 3557 CONECT 3520 3519 3521 3546 3556 CONECT 3521 3520 3522 3523 CONECT 3522 3521 CONECT 3523 3521 3524 3545 CONECT 3524 3523 3525 3530 3544 CONECT 3525 3524 3526 3528 3529 CONECT 3526 3525 3527 CONECT 3527 3526 CONECT 3528 3525 CONECT 3529 3525 CONECT 3530 3524 3531 3542 3543 CONECT 3531 3530 3532 3536 CONECT 3532 3531 3533 3541 CONECT 3533 3532 3534 3540 CONECT 3534 3533 3535 3539 CONECT 3535 3534 3536 3538 CONECT 3536 3531 3535 3537 CONECT 3537 3536 CONECT 3538 3535 CONECT 3539 3534 CONECT 3540 3533 CONECT 3541 3532 CONECT 3542 3530 CONECT 3543 3530 CONECT 3544 3524 CONECT 3545 3523 CONECT 3546 3520 3547 3551 3555 CONECT 3547 3546 3548 3549 3550 CONECT 3548 3547 CONECT 3549 3547 CONECT 3550 3547 CONECT 3551 3546 3552 3553 3554 CONECT 3552 3551 CONECT 3553 3551 CONECT 3554 3551 CONECT 3555 3546 CONECT 3556 3520 CONECT 3557 3519 CONECT 3558 3518 CONECT 3559 3517 3560 3577 3578 CONECT 3560 3559 3561 3565 CONECT 3561 3560 3562 3576 CONECT 3562 3561 3563 3575 CONECT 3563 3562 3564 3574 CONECT 3564 3563 3565 3569 CONECT 3565 3560 3564 3566 CONECT 3566 3565 3567 3573 CONECT 3567 3566 3568 3572 CONECT 3568 3567 3569 3571 CONECT 3569 3564 3568 3570 CONECT 3570 3569 CONECT 3571 3568 CONECT 3572 3567 CONECT 3573 3566 CONECT 3574 3563 CONECT 3575 3562 CONECT 3576 3561 CONECT 3577 3559 CONECT 3578 3559 CONECT 3579 3517 CONECT 3580 3516 CONECT 3581 3516 CONECT 3582 3513 3583 3587 3591 CONECT 3583 3582 3584 3585 3586 CONECT 3584 3583 CONECT 3585 3583 CONECT 3586 3583 CONECT 3587 3582 3588 3589 3590 CONECT 3588 3587 CONECT 3589 3587 CONECT 3590 3587 CONECT 3591 3582 3592 3593 3594 CONECT 3592 3591 CONECT 3593 3591 CONECT 3594 3591 MASTER 0 0 0 0 0 0 0 0 3592 2 90 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 1fmb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2fmb
RCSB PDB
PDBbind
104aa, >2FMB_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1fmb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
eiav protease
Ligand Name
HYB
EC.Number
E.C.3.4.23.16
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.1nM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
Protein Sci. v5 pp. 1453-65, 1996
Ligand Properties
Formula
C
3
2
H
4
2
N
2
O
5
S
Molecular Weight
566.751
Exact Mass
566.281
No. of atoms
82
No. of bonds
84
Polar Surface Area
120.95
LOGP Value
5.12 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
OC[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1cccc2c1cccc2)Cc1ccccc1
InChI String
InChI=1S/C32H42N2O5S/c1-22(2)29(31(37)33-27(20-35)18-23-12-7-6-8-13-23)34-30(36)26(21-40(38,39)32(3,4)5)19-25-16-11-15-24-14-9-10-17-28(24)25/h6-17,22,26-27,29,35H,18-21H2,1-5H3,(H,33,37)(H,34,36)/t26-,27+,29+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P32542
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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