Browse entries in the PDBbind-CN Database
HEADER 4MNV_COMPLEX COMPND 4MNV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 245 ILE ILE GLY GLY GLU PHE THR THR ILE GLU ASN GLN PRO SEQRES 2 A 245 TRP PHE ALA ALA ILE TYR ARG ARG HIS ARG GLY GLY SER SEQRES 3 A 245 VAL THR TYR VAL CYS GLY GLY SER LEU ILE SER PRO CYS SEQRES 4 A 245 TRP VAL ILE SER ALA THR HIS CYS PHE ILE ASP TYR PRO SEQRES 5 A 245 LYS LYS GLU ASP TYR ILE VAL TYR LEU GLY ARG SER ARG SEQRES 6 A 245 LEU ASN SER ASN THR GLN GLY GLU MET LYS PHE GLU VAL SEQRES 7 A 245 GLU ASN LEU ILE LEU HIS LYS ASP TYR SER ALA ASP THR SEQRES 8 A 245 LEU ALA HIS HIS ASN ASP ILE ALA LEU LEU LYS ILE ARG SEQRES 9 A 245 SER LYS GLU GLY ARG CYS ALA GLN PRO SER ARG THR ILE SEQRES 10 A 245 GLN THR ILE ALA LEU PRO SER MET TYR ASN ASP PRO GLN SEQRES 11 A 245 PHE GLY THR SER CYS GLU ILE THR GLY PHE GLY LYS GLU SEQRES 12 A 245 GLN SER THR ASP TYR LEU TYR PRO GLU GLN LEU LYS MET SEQRES 13 A 245 THR VAL VAL LYS LEU ILE SER HIS ARG GLU CYS GLN GLN SEQRES 14 A 245 PRO HIS TYR TYR GLY SER GLU VAL THR THR LYS MET LEU SEQRES 15 A 245 CYS ALA ALA ASP PRO GLN TRP LYS THR ASP SER CYS GLN SEQRES 16 A 245 GLY ASP SER GLY GLY PRO LEU VAL CYS SER LEU GLN GLY SEQRES 17 A 245 ARG MET THR LEU THR GLY ILE VAL SER TRP GLY ARG GLY SEQRES 18 A 245 CYS ALA LEU LYS ASP LYS PRO GLY VAL TYR THR ARG VAL SEQRES 19 A 245 SER HIS PHE LEU PRO TRP ILE ARG SER HIS THR HET THR A 357 156 HET THR A 358 44 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 50 CYS A 111 SSBOND 3 CYS A 168 CYS A 182 SSBOND 4 CYS A 136 CYS A 201 SSBOND 5 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 27.040 0.947 -19.531 1.00 19.78 N ATOM 2 CA ILE A 16 28.088 -0.102 -19.468 1.00 19.62 C ATOM 3 C ILE A 16 28.983 0.076 -20.679 1.00 19.92 C ATOM 4 O ILE A 16 28.496 0.023 -21.803 1.00 19.17 O ATOM 5 CB ILE A 16 27.492 -1.537 -19.533 1.00 20.38 C ATOM 6 CG1 ILE A 16 26.542 -1.844 -18.358 1.00 21.06 C ATOM 7 CG2 ILE A 16 28.582 -2.613 -19.623 1.00 21.15 C ATOM 8 CD1 ILE A 16 27.170 -1.772 -16.999 1.00 21.76 C ATOM 9 HN3 ILE A 16 26.492 0.836 -20.408 1.00 0.00 H ATOM 10 HN2 ILE A 16 27.489 1.885 -19.517 1.00 0.00 H ATOM 11 HN1 ILE A 16 26.407 0.852 -18.711 1.00 0.00 H ATOM 12 N ILE A 17 30.280 0.254 -20.438 1.00 20.73 N ATOM 13 CA ILE A 17 31.279 0.283 -21.506 1.00 20.94 C ATOM 14 C ILE A 17 31.668 -1.159 -21.789 1.00 21.16 C ATOM 15 O ILE A 17 31.932 -1.914 -20.863 1.00 21.15 O ATOM 16 CB ILE A 17 32.584 1.026 -21.104 1.00 21.87 C ATOM 17 CG1 ILE A 17 32.315 2.350 -20.376 1.00 23.39 C ATOM 18 CG2 ILE A 17 33.453 1.261 -22.338 1.00 21.35 C ATOM 19 CD1 ILE A 17 31.617 3.411 -21.185 1.00 23.77 C ATOM 20 H ILE A 17 30.595 0.377 -19.454 1.00 0.00 H ATOM 21 N GLY A 18 31.739 -1.532 -23.066 1.00 21.25 N ATOM 22 CA GLY A 18 32.040 -2.907 -23.454 1.00 20.90 C ATOM 23 C GLY A 18 30.920 -3.833 -23.030 1.00 21.49 C ATOM 24 O GLY A 18 29.763 -3.410 -22.961 1.00 20.96 O ATOM 25 H GLY A 18 31.575 -0.823 -23.809 1.00 0.00 H ATOM 26 N GLY A 19 31.268 -5.074 -22.706 1.00 21.45 N ATOM 27 CA GLY A 19 30.286 -6.076 -22.308 1.00 22.38 C ATOM 28 C GLY A 19 29.404 -6.529 -23.451 1.00 24.06 C ATOM 29 O GLY A 19 29.831 -6.543 -24.616 1.00 21.41 O ATOM 30 H GLY A 19 32.273 -5.339 -22.737 1.00 0.00 H ATOM 31 N GLU A 20 28.165 -6.887 -23.112 1.00 23.72 N ATOM 32 CA GLU A 20 27.237 -7.507 -24.048 1.00 26.64 C ATOM 33 C GLU A 20 25.827 -6.991 -23.810 1.00 24.84 C ATOM 34 O GLU A 20 25.461 -6.625 -22.693 1.00 22.04 O ATOM 35 CB GLU A 20 27.193 -9.027 -23.837 1.00 31.91 C ATOM 36 CG GLU A 20 28.539 -9.743 -23.781 1.00 37.78 C ATOM 37 CD GLU A 20 28.859 -10.528 -25.038 1.00 42.43 C ATOM 38 OE1 GLU A 20 28.572 -10.033 -26.151 1.00 47.98 O ATOM 39 OE2 GLU A 20 29.410 -11.649 -24.910 1.00 48.53 O ATOM 40 H GLU A 20 27.847 -6.716 -22.137 1.00 0.00 H ATOM 41 N PHE A 21 25.024 -6.979 -24.862 1.00 23.33 N ATOM 42 CA PHE A 21 23.600 -6.775 -24.681 1.00 23.36 C ATOM 43 C PHE A 21 23.000 -7.987 -23.986 1.00 22.55 C ATOM 44 O PHE A 21 23.509 -9.105 -24.094 1.00 22.08 O ATOM 45 CB PHE A 21 22.933 -6.477 -26.017 1.00 24.16 C ATOM 46 CG PHE A 21 23.330 -5.152 -26.569 1.00 25.88 C ATOM 47 CD1 PHE A 21 22.887 -3.987 -25.964 1.00 26.33 C ATOM 48 CD2 PHE A 21 24.197 -5.058 -27.652 1.00 27.48 C ATOM 49 CE1 PHE A 21 23.270 -2.747 -26.445 1.00 27.86 C ATOM 50 CE2 PHE A 21 24.582 -3.820 -28.143 1.00 28.32 C ATOM 51 CZ PHE A 21 24.124 -2.661 -27.537 1.00 27.58 C ATOM 52 H PHE A 21 25.414 -7.116 -25.817 1.00 0.00 H ATOM 53 N THR A 22 21.929 -7.759 -23.239 1.00 22.07 N ATOM 54 CA THR A 22 21.325 -8.823 -22.485 1.00 22.43 C ATOM 55 C THR A 22 19.821 -8.615 -22.455 1.00 22.91 C ATOM 56 O THR A 22 19.306 -7.707 -23.098 1.00 23.01 O ATOM 57 CB THR A 22 21.951 -8.930 -21.079 1.00 23.06 C ATOM 58 OG1 THR A 22 21.556 -10.163 -20.479 1.00 23.92 O ATOM 59 CG2 THR A 22 21.578 -7.741 -20.195 1.00 23.35 C ATOM 60 HG1 THR A 22 21.957 -10.233 -19.577 1.00 0.00 H ATOM 61 H THR A 22 21.523 -6.803 -23.198 1.00 0.00 H ATOM 62 N THR A 23 19.116 -9.489 -21.756 1.00 24.32 N ATOM 63 CA THR A 23 17.680 -9.316 -21.600 1.00 25.61 C ATOM 64 C THR A 23 17.342 -9.531 -20.148 1.00 23.90 C ATOM 65 O THR A 23 18.129 -10.102 -19.403 1.00 22.77 O ATOM 66 CB THR A 23 16.859 -10.294 -22.451 1.00 27.80 C ATOM 67 OG1 THR A 23 16.872 -11.591 -21.848 1.00 29.77 O ATOM 68 CG2 THR A 23 17.389 -10.365 -23.882 1.00 28.85 C ATOM 69 HG1 THR A 23 16.341 -12.216 -22.402 1.00 0.00 H ATOM 70 H THR A 23 19.590 -10.303 -21.316 1.00 0.00 H ATOM 71 N ILE A 24 16.150 -9.081 -19.767 1.00 23.13 N ATOM 72 CA ILE A 24 15.749 -9.083 -18.375 1.00 22.52 C ATOM 73 C ILE A 24 15.669 -10.487 -17.775 1.00 23.81 C ATOM 74 O ILE A 24 15.864 -10.648 -16.574 1.00 24.03 O ATOM 75 CB ILE A 24 14.443 -8.274 -18.179 1.00 22.04 C ATOM 76 CG1 ILE A 24 14.259 -7.887 -16.705 1.00 21.65 C ATOM 77 CG2 ILE A 24 13.235 -9.018 -18.743 1.00 21.87 C ATOM 78 CD1 ILE A 24 15.346 -6.987 -16.168 1.00 21.23 C ATOM 79 H ILE A 24 15.490 -8.719 -20.485 1.00 0.00 H ATOM 80 N GLU A 25 15.419 -11.505 -18.603 1.00 25.34 N ATOM 81 CA GLU A 25 15.416 -12.909 -18.148 1.00 27.45 C ATOM 82 C GLU A 25 16.744 -13.337 -17.559 1.00 25.43 C ATOM 83 O GLU A 25 16.791 -14.216 -16.712 1.00 24.78 O ATOM 84 CB GLU A 25 15.113 -13.864 -19.305 1.00 31.43 C ATOM 85 CG GLU A 25 13.712 -13.756 -19.850 1.00 34.44 C ATOM 86 CD GLU A 25 13.498 -14.592 -21.092 1.00 37.47 C ATOM 87 OE1 GLU A 25 14.488 -15.045 -21.717 1.00 38.28 O ATOM 88 OE2 GLU A 25 12.313 -14.791 -21.445 1.00 41.67 O ATOM 89 H GLU A 25 15.220 -11.301 -19.603 1.00 0.00 H ATOM 90 N ASN A 26 17.832 -12.748 -18.043 1.00 24.20 N ATOM 91 CA ASN A 26 19.147 -13.062 -17.518 1.00 25.38 C ATOM 92 C ASN A 26 19.485 -12.261 -16.257 1.00 24.28 C ATOM 93 O ASN A 26 20.364 -12.660 -15.495 1.00 23.65 O ATOM 94 CB ASN A 26 20.199 -12.836 -18.596 1.00 27.98 C ATOM 95 CG ASN A 26 19.997 -13.739 -19.800 1.00 31.13 C ATOM 96 OD1 ASN A 26 19.392 -14.816 -19.705 1.00 32.30 O ATOM 97 ND2 ASN A 26 20.477 -13.293 -20.947 1.00 34.40 N ATOM 98 HD22 ASN A 26 20.979 -12.383 -20.982 1.00 0.00 H ATOM 99 HD21 ASN A 26 20.353 -13.852 -21.815 1.00 0.00 H ATOM 100 H ASN A 26 17.739 -12.051 -18.810 1.00 0.00 H ATOM 101 N GLN A 27 18.739 -11.176 -16.027 1.00 23.05 N ATOM 102 CA GLN A 27 18.955 -10.232 -14.920 1.00 23.59 C ATOM 103 C GLN A 27 17.617 -9.916 -14.221 1.00 21.78 C ATOM 104 O GLN A 27 17.279 -8.756 -14.074 1.00 21.28 O ATOM 105 CB GLN A 27 19.496 -8.891 -15.469 1.00 25.33 C ATOM 106 CG GLN A 27 20.520 -8.978 -16.598 1.00 28.34 C ATOM 107 CD GLN A 27 21.839 -9.531 -16.119 1.00 30.96 C ATOM 108 OE1 GLN A 27 22.128 -9.506 -14.923 1.00 33.07 O ATOM 109 NE2 GLN A 27 22.648 -10.047 -17.047 1.00 33.74 N ATOM 110 HE22 GLN A 27 22.360 -10.046 -18.046 1.00 0.00 H ATOM 111 HE21 GLN A 27 23.566 -10.450 -16.771 1.00 0.00 H ATOM 112 H GLN A 27 17.950 -10.986 -16.677 1.00 0.00 H ATOM 113 N PRO A 28 16.844 -10.931 -13.801 1.00 20.87 N ATOM 114 CA PRO A 28 15.421 -10.645 -13.472 1.00 20.10 C ATOM 115 C PRO A 28 15.162 -9.760 -12.237 1.00 18.32 C ATOM 116 O PRO A 28 14.036 -9.356 -11.995 1.00 18.38 O ATOM 117 CB PRO A 28 14.822 -12.042 -13.286 1.00 20.35 C ATOM 118 CG PRO A 28 15.973 -12.913 -12.910 1.00 21.45 C ATOM 119 CD PRO A 28 17.171 -12.354 -13.635 1.00 20.99 C ATOM 120 N TRP A 29 16.214 -9.451 -11.484 1.00 17.58 N ATOM 121 CA TRP A 29 16.132 -8.569 -10.325 1.00 17.61 C ATOM 122 C TRP A 29 16.337 -7.084 -10.681 1.00 16.75 C ATOM 123 O TRP A 29 16.254 -6.202 -9.815 1.00 17.19 O ATOM 124 CB TRP A 29 17.180 -8.994 -9.306 1.00 18.32 C ATOM 125 CG TRP A 29 18.496 -9.212 -9.937 1.00 19.42 C ATOM 126 CD1 TRP A 29 19.392 -8.261 -10.294 1.00 21.07 C ATOM 127 CD2 TRP A 29 19.043 -10.464 -10.364 1.00 20.42 C ATOM 128 NE1 TRP A 29 20.489 -8.838 -10.874 1.00 21.60 N ATOM 129 CE2 TRP A 29 20.298 -10.191 -10.941 1.00 20.62 C ATOM 130 CE3 TRP A 29 18.614 -11.789 -10.279 1.00 21.78 C ATOM 131 CZ2 TRP A 29 21.126 -11.192 -11.440 1.00 21.56 C ATOM 132 CZ3 TRP A 29 19.432 -12.791 -10.787 1.00 22.70 C ATOM 133 CH2 TRP A 29 20.685 -12.482 -11.355 1.00 21.98 C ATOM 134 HE1 TRP A 29 21.332 -8.330 -11.210 1.00 0.00 H ATOM 135 H TRP A 29 17.138 -9.857 -11.733 1.00 0.00 H ATOM 136 N PHE A 30 16.638 -6.799 -11.942 1.00 16.28 N ATOM 137 CA PHE A 30 16.947 -5.432 -12.334 1.00 16.27 C ATOM 138 C PHE A 30 15.712 -4.561 -12.435 1.00 16.08 C ATOM 139 O PHE A 30 14.743 -4.917 -13.120 1.00 16.21 O ATOM 140 CB PHE A 30 17.720 -5.390 -13.663 1.00 16.40 C ATOM 141 CG PHE A 30 18.191 -4.023 -14.015 1.00 16.81 C ATOM 142 CD1 PHE A 30 19.351 -3.509 -13.455 1.00 17.12 C ATOM 143 CD2 PHE A 30 17.450 -3.220 -14.869 1.00 17.13 C ATOM 144 CE1 PHE A 30 19.764 -2.225 -13.752 1.00 17.24 C ATOM 145 CE2 PHE A 30 17.857 -1.934 -15.168 1.00 17.42 C ATOM 146 CZ PHE A 30 19.020 -1.431 -14.618 1.00 16.99 C ATOM 147 H PHE A 30 16.653 -7.557 -12.654 1.00 0.00 H ATOM 148 N ALA A 31 15.766 -3.421 -11.747 1.00 15.69 N ATOM 149 CA ALA A 31 14.709 -2.429 -11.735 1.00 14.93 C ATOM 150 C ALA A 31 15.162 -1.173 -12.489 1.00 15.03 C ATOM 151 O ALA A 31 16.271 -0.663 -12.282 1.00 15.81 O ATOM 152 CB ALA A 31 14.353 -2.072 -10.311 1.00 14.92 C ATOM 153 H ALA A 31 16.619 -3.231 -11.184 1.00 0.00 H ATOM 154 N ALA A 32 14.312 -0.699 -13.381 1.00 14.85 N ATOM 155 CA ALA A 32 14.616 0.492 -14.168 1.00 15.47 C ATOM 156 C ALA A 32 13.814 1.655 -13.569 1.00 15.93 C ATOM 157 O ALA A 32 12.583 1.573 -13.476 1.00 16.41 O ATOM 158 CB ALA A 32 14.264 0.261 -15.632 1.00 15.85 C ATOM 159 H ALA A 32 13.404 -1.186 -13.526 1.00 0.00 H ATOM 160 N ILE A 33 14.512 2.709 -13.147 1.00 16.05 N ATOM 161 CA ILE A 33 13.905 3.813 -12.427 1.00 16.38 C ATOM 162 C ILE A 33 13.908 5.099 -13.257 1.00 17.01 C ATOM 163 O ILE A 33 14.955 5.581 -13.691 1.00 16.82 O ATOM 164 CB ILE A 33 14.589 4.023 -11.072 1.00 16.77 C ATOM 165 CG1 ILE A 33 14.713 2.656 -10.354 1.00 17.97 C ATOM 166 CG2 ILE A 33 13.814 5.047 -10.246 1.00 16.99 C ATOM 167 CD1 ILE A 33 15.408 2.707 -9.017 1.00 18.76 C ATOM 168 H ILE A 33 15.533 2.742 -13.342 1.00 0.00 H ATOM 169 N TYR A 34 12.709 5.631 -13.474 1.00 17.09 N ATOM 170 CA TYR A 34 12.498 6.826 -14.264 1.00 18.19 C ATOM 171 C TYR A 34 11.906 7.974 -13.439 1.00 20.07 C ATOM 172 O TYR A 34 11.279 7.751 -12.405 1.00 19.52 O ATOM 173 CB TYR A 34 11.534 6.537 -15.401 1.00 18.13 C ATOM 174 CG TYR A 34 11.921 5.446 -16.363 1.00 17.52 C ATOM 175 CD1 TYR A 34 11.763 4.113 -16.027 1.00 17.95 C ATOM 176 CD2 TYR A 34 12.388 5.753 -17.644 1.00 18.20 C ATOM 177 CE1 TYR A 34 12.084 3.106 -16.914 1.00 18.77 C ATOM 178 CE2 TYR A 34 12.699 4.750 -18.544 1.00 18.76 C ATOM 179 CZ TYR A 34 12.549 3.434 -18.173 1.00 19.06 C ATOM 180 OH TYR A 34 12.848 2.432 -19.045 1.00 21.43 O ATOM 181 HH TYR A 34 12.278 2.516 -19.850 1.00 0.00 H ATOM 182 H TYR A 34 11.880 5.165 -13.055 1.00 0.00 H ATOM 183 N ARG A 35 12.093 9.203 -13.918 1.00 22.93 N ATOM 184 CA ARG A 35 11.465 10.370 -13.284 1.00 26.34 C ATOM 185 C ARG A 35 10.475 11.041 -14.241 1.00 27.59 C ATOM 186 O ARG A 35 10.777 11.234 -15.422 1.00 25.27 O ATOM 187 CB ARG A 35 12.518 11.379 -12.819 1.00 30.23 C ATOM 188 CG ARG A 35 11.949 12.480 -11.934 1.00 33.94 C ATOM 189 CD ARG A 35 13.028 13.204 -11.153 1.00 36.78 C ATOM 190 NE ARG A 35 13.886 13.994 -12.028 1.00 42.88 N ATOM 191 CZ ARG A 35 13.702 15.279 -12.343 1.00 45.09 C ATOM 192 NH1 ARG A 35 14.569 15.876 -13.152 1.00 47.05 N ATOM 193 NH2 ARG A 35 12.671 15.973 -11.863 1.00 45.13 N ATOM 194 HE ARG A 35 14.712 13.516 -12.442 1.00 0.00 H ATOM 195 HH12 ARG A 35 14.439 16.876 -13.406 1.00 0.00 H ATOM 196 HH11 ARG A 35 15.378 15.344 -13.531 1.00 0.00 H ATOM 197 HH22 ARG A 35 12.550 16.973 -12.124 1.00 0.00 H ATOM 198 HH21 ARG A 35 11.987 15.515 -11.228 1.00 0.00 H ATOM 199 H ARG A 35 12.694 9.339 -14.756 1.00 0.00 H ATOM 200 N ARG A 36 9.287 11.354 -13.729 1.00 28.57 N ATOM 201 CA ARG A 36 8.275 12.095 -14.484 1.00 34.23 C ATOM 202 C ARG A 36 8.549 13.588 -14.415 1.00 37.21 C ATOM 203 O ARG A 36 8.930 14.114 -13.364 1.00 37.74 O ATOM 204 CB ARG A 36 6.873 11.868 -13.902 1.00 37.65 C ATOM 205 CG ARG A 36 6.202 10.563 -14.283 1.00 40.70 C ATOM 206 CD ARG A 36 4.773 10.516 -13.744 1.00 44.55 C ATOM 207 NE ARG A 36 4.759 10.247 -12.303 1.00 47.60 N ATOM 208 CZ ARG A 36 4.063 9.284 -11.698 1.00 50.53 C ATOM 209 NH1 ARG A 36 3.260 8.470 -12.380 1.00 51.03 N ATOM 210 NH2 ARG A 36 4.157 9.139 -10.380 1.00 52.60 N ATOM 211 HE ARG A 36 5.343 10.861 -11.700 1.00 0.00 H ATOM 212 HH12 ARG A 36 2.729 7.727 -11.883 1.00 0.00 H ATOM 213 HH11 ARG A 36 3.164 8.577 -13.410 1.00 0.00 H ATOM 214 HH22 ARG A 36 3.618 8.391 -9.899 1.00 0.00 H ATOM 215 HH21 ARG A 36 4.770 9.774 -9.829 1.00 0.00 H ATOM 216 H ARG A 36 9.069 11.061 -12.755 1.00 0.00 H ATOM 217 N HIS A 37 8.295 14.271 -15.524 1.00 40.33 N ATOM 218 CA HIS A 37 8.404 15.727 -15.591 1.00 43.58 C ATOM 219 C HIS A 37 7.035 16.362 -15.835 1.00 46.43 C ATOM 220 O HIS A 37 6.129 15.729 -16.385 1.00 46.36 O ATOM 221 CB HIS A 37 9.396 16.126 -16.682 1.00 42.44 C ATOM 222 CG HIS A 37 10.744 15.496 -16.517 1.00 42.13 C ATOM 223 ND1 HIS A 37 11.783 16.122 -15.865 1.00 42.62 N ATOM 224 CD2 HIS A 37 11.213 14.284 -16.895 1.00 41.91 C ATOM 225 CE1 HIS A 37 12.840 15.329 -15.860 1.00 42.22 C ATOM 226 NE2 HIS A 37 12.519 14.207 -16.475 1.00 42.81 N ATOM 227 H HIS A 37 8.008 13.751 -16.377 1.00 0.00 H ATOM 228 N ARG A 37A 6.901 17.615 -15.405 1.00 53.31 N ATOM 229 CA ARG A 37A 5.640 18.374 -15.503 1.00 57.58 C ATOM 230 C ARG A 37A 4.851 18.117 -16.786 1.00 57.93 C ATOM 231 O ARG A 37A 3.673 17.755 -16.733 1.00 62.78 O ATOM 232 CB ARG A 37A 5.909 19.882 -15.357 1.00 60.67 C ATOM 233 CG ARG A 37A 5.357 20.502 -14.081 1.00 63.45 C ATOM 234 CD ARG A 37A 6.085 21.790 -13.718 1.00 67.39 C ATOM 235 NE ARG A 37A 7.231 21.550 -12.837 1.00 69.25 N ATOM 236 CZ ARG A 37A 8.190 22.436 -12.566 1.00 70.85 C ATOM 237 NH1 ARG A 37A 9.179 22.100 -11.745 1.00 71.66 N ATOM 238 NH2 ARG A 37A 8.178 23.651 -13.111 1.00 70.57 N ATOM 239 HE ARG A 37A 7.302 20.615 -12.388 1.00 0.00 H ATOM 240 HH12 ARG A 37A 9.931 22.785 -11.529 1.00 0.00 H ATOM 241 HH11 ARG A 37A 9.201 21.152 -11.319 1.00 0.00 H ATOM 242 HH22 ARG A 37A 8.935 24.329 -12.888 1.00 0.00 H ATOM 243 HH21 ARG A 37A 7.412 23.922 -13.760 1.00 0.00 H ATOM 244 H ARG A 37A 7.727 18.082 -14.979 1.00 0.00 H ATOM 245 N GLY A 37B 5.508 18.283 -17.930 1.00 58.04 N ATOM 246 CA GLY A 37B 4.846 18.167 -19.236 1.00 57.02 C ATOM 247 C GLY A 37B 4.450 16.767 -19.688 1.00 56.66 C ATOM 248 O GLY A 37B 3.945 16.596 -20.801 1.00 54.96 O ATOM 249 H GLY A 37B 6.524 18.502 -17.899 1.00 0.00 H ATOM 250 N GLY A 37C 4.683 15.766 -18.840 1.00 55.97 N ATOM 251 CA GLY A 37C 4.338 14.377 -19.154 1.00 53.84 C ATOM 252 C GLY A 37C 5.495 13.543 -19.686 1.00 50.47 C ATOM 253 O GLY A 37C 5.345 12.339 -19.900 1.00 52.54 O ATOM 254 H GLY A 37C 5.125 15.978 -17.923 1.00 0.00 H ATOM 255 N SER A 37D 6.645 14.170 -19.910 1.00 46.19 N ATOM 256 CA SER A 37D 7.827 13.436 -20.355 1.00 44.87 C ATOM 257 C SER A 37D 8.471 12.666 -19.189 1.00 40.74 C ATOM 258 O SER A 37D 8.427 13.098 -18.032 1.00 37.99 O ATOM 259 CB SER A 37D 8.843 14.372 -21.011 1.00 45.32 C ATOM 260 OG SER A 37D 9.314 15.342 -20.098 1.00 47.49 O ATOM 261 HG SER A 37D 9.751 14.889 -19.333 1.00 0.00 H ATOM 262 H SER A 37D 6.704 15.198 -19.766 1.00 0.00 H ATOM 263 N VAL A 38 9.055 11.520 -19.528 1.00 38.10 N ATOM 264 CA VAL A 38 9.688 10.622 -18.565 1.00 36.53 C ATOM 265 C VAL A 38 11.127 10.413 -19.007 1.00 33.29 C ATOM 266 O VAL A 38 11.363 10.126 -20.174 1.00 34.08 O ATOM 267 CB VAL A 38 8.965 9.263 -18.531 1.00 37.11 C ATOM 268 CG1 VAL A 38 9.609 8.328 -17.528 1.00 37.12 C ATOM 269 CG2 VAL A 38 7.493 9.453 -18.198 1.00 37.44 C ATOM 270 H VAL A 38 9.061 11.249 -20.532 1.00 0.00 H ATOM 271 N THR A 39 12.078 10.565 -18.086 1.00 29.49 N ATOM 272 CA THR A 39 13.495 10.337 -18.380 1.00 27.08 C ATOM 273 C THR A 39 14.055 9.249 -17.447 1.00 24.85 C ATOM 274 O THR A 39 13.655 9.160 -16.294 1.00 22.40 O ATOM 275 CB THR A 39 14.335 11.624 -18.204 1.00 28.54 C ATOM 276 OG1 THR A 39 14.169 12.144 -16.882 1.00 29.89 O ATOM 277 CG2 THR A 39 13.942 12.700 -19.202 1.00 30.24 C ATOM 278 HG1 THR A 39 13.214 12.356 -16.729 1.00 0.00 H ATOM 279 H THR A 39 11.805 10.855 -17.125 1.00 0.00 H ATOM 280 N TYR A 40 14.975 8.429 -17.949 1.00 22.75 N ATOM 281 CA TYR A 40 15.605 7.393 -17.128 1.00 21.99 C ATOM 282 C TYR A 40 16.532 8.031 -16.091 1.00 22.49 C ATOM 283 O TYR A 40 17.266 8.958 -16.401 1.00 22.38 O ATOM 284 CB TYR A 40 16.394 6.426 -17.986 1.00 22.02 C ATOM 285 CG TYR A 40 16.952 5.243 -17.221 1.00 20.81 C ATOM 286 CD1 TYR A 40 16.120 4.236 -16.765 1.00 19.83 C ATOM 287 CD2 TYR A 40 18.323 5.124 -16.976 1.00 20.09 C ATOM 288 CE1 TYR A 40 16.623 3.140 -16.091 1.00 19.07 C ATOM 289 CE2 TYR A 40 18.829 4.031 -16.303 1.00 19.25 C ATOM 290 CZ TYR A 40 17.980 3.053 -15.851 1.00 18.62 C ATOM 291 OH TYR A 40 18.464 1.965 -15.187 1.00 18.83 O ATOM 292 HH TYR A 40 19.094 1.475 -15.773 1.00 0.00 H ATOM 293 H TYR A 40 15.253 8.526 -18.947 1.00 0.00 H ATOM 294 N VAL A 41 16.491 7.530 -14.859 1.00 20.91 N ATOM 295 CA VAL A 41 17.287 8.099 -13.774 1.00 21.65 C ATOM 296 C VAL A 41 18.445 7.203 -13.394 1.00 22.21 C ATOM 297 O VAL A 41 19.623 7.615 -13.435 1.00 22.97 O ATOM 298 CB VAL A 41 16.420 8.331 -12.521 1.00 22.57 C ATOM 299 CG1 VAL A 41 17.247 8.866 -11.355 1.00 23.28 C ATOM 300 CG2 VAL A 41 15.314 9.299 -12.847 1.00 24.10 C ATOM 301 H VAL A 41 15.877 6.713 -14.664 1.00 0.00 H ATOM 302 N CYS A 42 18.105 5.983 -13.004 1.00 20.70 N ATOM 303 CA CYS A 42 19.063 5.071 -12.398 1.00 21.57 C ATOM 304 C CYS A 42 18.531 3.658 -12.411 1.00 19.44 C ATOM 305 O CYS A 42 17.335 3.416 -12.641 1.00 16.97 O ATOM 306 CB CYS A 42 19.310 5.486 -10.942 1.00 24.01 C ATOM 307 SG CYS A 42 20.547 6.778 -10.733 1.00 28.31 S ATOM 308 H CYS A 42 17.123 5.668 -13.135 1.00 0.00 H ATOM 309 N GLY A 43 19.424 2.718 -12.140 1.00 17.44 N ATOM 310 CA GLY A 43 19.039 1.341 -11.959 1.00 16.81 C ATOM 311 C GLY A 43 18.789 1.051 -10.489 1.00 16.50 C ATOM 312 O GLY A 43 18.980 1.912 -9.625 1.00 16.39 O ATOM 313 H GLY A 43 20.427 2.980 -12.056 1.00 0.00 H ATOM 314 N GLY A 44 18.328 -0.161 -10.249 1.00 16.59 N ATOM 315 CA GLY A 44 18.071 -0.702 -8.919 1.00 16.49 C ATOM 316 C GLY A 44 17.976 -2.208 -8.981 1.00 16.25 C ATOM 317 O GLY A 44 18.102 -2.824 -10.052 1.00 15.66 O ATOM 318 H GLY A 44 18.134 -0.775 -11.066 1.00 0.00 H ATOM 319 N SER A 45 17.750 -2.821 -7.823 1.00 16.68 N ATOM 320 CA SER A 45 17.647 -4.256 -7.723 1.00 16.40 C ATOM 321 C SER A 45 16.487 -4.617 -6.792 1.00 16.88 C ATOM 322 O SER A 45 16.360 -4.023 -5.721 1.00 15.27 O ATOM 323 CB SER A 45 18.922 -4.849 -7.139 1.00 17.24 C ATOM 324 OG SER A 45 20.068 -4.393 -7.825 1.00 18.32 O ATOM 325 HG SER A 45 20.121 -3.407 -7.757 1.00 0.00 H ATOM 326 H SER A 45 17.644 -2.247 -6.962 1.00 0.00 H ATOM 327 N LEU A 46 15.685 -5.596 -7.198 1.00 16.27 N ATOM 328 CA LEU A 46 14.580 -6.078 -6.373 1.00 17.54 C ATOM 329 C LEU A 46 15.120 -7.034 -5.297 1.00 17.71 C ATOM 330 O LEU A 46 15.604 -8.105 -5.619 1.00 17.42 O ATOM 331 CB LEU A 46 13.546 -6.784 -7.239 1.00 17.59 C ATOM 332 CG LEU A 46 12.220 -7.126 -6.562 1.00 18.16 C ATOM 333 CD1 LEU A 46 11.375 -5.883 -6.383 1.00 17.82 C ATOM 334 CD2 LEU A 46 11.485 -8.161 -7.391 1.00 18.65 C ATOM 335 H LEU A 46 15.849 -6.031 -8.128 1.00 0.00 H ATOM 336 N ILE A 47 15.024 -6.635 -4.029 1.00 18.51 N ATOM 337 CA ILE A 47 15.505 -7.471 -2.918 1.00 20.02 C ATOM 338 C ILE A 47 14.396 -8.145 -2.105 1.00 21.50 C ATOM 339 O ILE A 47 14.660 -9.041 -1.291 1.00 23.40 O ATOM 340 CB ILE A 47 16.451 -6.683 -1.999 1.00 20.19 C ATOM 341 CG1 ILE A 47 15.776 -5.427 -1.443 1.00 20.30 C ATOM 342 CG2 ILE A 47 17.726 -6.341 -2.764 1.00 20.55 C ATOM 343 CD1 ILE A 47 16.450 -4.881 -0.207 1.00 21.99 C ATOM 344 H ILE A 47 14.598 -5.709 -3.820 1.00 0.00 H ATOM 345 N SER A 48 13.167 -7.691 -2.305 1.00 22.58 N ATOM 346 CA SER A 48 11.979 -8.406 -1.857 1.00 23.45 C ATOM 347 C SER A 48 10.849 -7.918 -2.754 1.00 23.94 C ATOM 348 O SER A 48 11.036 -6.947 -3.507 1.00 22.84 O ATOM 349 CB SER A 48 11.663 -8.139 -0.382 1.00 24.22 C ATOM 350 OG SER A 48 11.164 -6.826 -0.196 1.00 27.42 O ATOM 351 HG SER A 48 10.334 -6.712 -0.724 1.00 0.00 H ATOM 352 H SER A 48 13.045 -6.786 -2.803 1.00 0.00 H ATOM 353 N PRO A 49 9.677 -8.580 -2.691 1.00 24.66 N ATOM 354 CA PRO A 49 8.603 -8.169 -3.594 1.00 24.15 C ATOM 355 C PRO A 49 8.217 -6.681 -3.505 1.00 22.78 C ATOM 356 O PRO A 49 7.859 -6.087 -4.526 1.00 23.00 O ATOM 357 CB PRO A 49 7.448 -9.091 -3.195 1.00 24.91 C ATOM 358 CG PRO A 49 8.123 -10.312 -2.694 1.00 25.81 C ATOM 359 CD PRO A 49 9.315 -9.796 -1.941 1.00 24.73 C ATOM 360 N CYS A 50 8.314 -6.069 -2.324 1.00 22.79 N ATOM 361 CA CYS A 50 7.948 -4.646 -2.167 1.00 23.37 C ATOM 362 C CYS A 50 9.106 -3.657 -2.153 1.00 20.33 C ATOM 363 O CYS A 50 8.882 -2.458 -2.004 1.00 18.44 O ATOM 364 CB CYS A 50 7.155 -4.431 -0.877 1.00 27.17 C ATOM 365 SG CYS A 50 5.710 -5.488 -0.718 1.00 32.27 S ATOM 366 H CYS A 50 8.653 -6.603 -1.499 1.00 0.00 H ATOM 367 N TRP A 51 10.339 -4.136 -2.272 1.00 19.79 N ATOM 368 CA TRP A 51 11.503 -3.274 -2.046 1.00 19.23 C ATOM 369 C TRP A 51 12.552 -3.366 -3.151 1.00 17.85 C ATOM 370 O TRP A 51 13.016 -4.443 -3.502 1.00 17.66 O ATOM 371 CB TRP A 51 12.160 -3.605 -0.700 1.00 20.06 C ATOM 372 CG TRP A 51 11.351 -3.167 0.482 1.00 21.31 C ATOM 373 CD1 TRP A 51 10.538 -3.951 1.263 1.00 22.75 C ATOM 374 CD2 TRP A 51 11.271 -1.851 1.028 1.00 21.76 C ATOM 375 NE1 TRP A 51 9.969 -3.199 2.255 1.00 22.53 N ATOM 376 CE2 TRP A 51 10.389 -1.908 2.131 1.00 22.06 C ATOM 377 CE3 TRP A 51 11.845 -0.626 0.693 1.00 21.52 C ATOM 378 CZ2 TRP A 51 10.089 -0.799 2.897 1.00 22.59 C ATOM 379 CZ3 TRP A 51 11.537 0.474 1.446 1.00 23.03 C ATOM 380 CH2 TRP A 51 10.666 0.383 2.542 1.00 23.50 C ATOM 381 HE1 TRP A 51 9.320 -3.555 2.986 1.00 0.00 H ATOM 382 H TRP A 51 10.480 -5.134 -2.528 1.00 0.00 H ATOM 383 N VAL A 52 12.907 -2.208 -3.687 1.00 17.77 N ATOM 384 CA VAL A 52 14.019 -2.065 -4.614 1.00 16.76 C ATOM 385 C VAL A 52 15.104 -1.281 -3.900 1.00 16.85 C ATOM 386 O VAL A 52 14.821 -0.285 -3.223 1.00 18.29 O ATOM 387 CB VAL A 52 13.568 -1.306 -5.869 1.00 15.88 C ATOM 388 CG1 VAL A 52 14.766 -0.853 -6.687 1.00 16.17 C ATOM 389 CG2 VAL A 52 12.629 -2.178 -6.693 1.00 16.05 C ATOM 390 H VAL A 52 12.364 -1.359 -3.432 1.00 0.00 H ATOM 391 N ILE A 53 16.345 -1.702 -4.072 1.00 17.47 N ATOM 392 CA ILE A 53 17.475 -0.993 -3.504 1.00 17.41 C ATOM 393 C ILE A 53 18.271 -0.306 -4.638 1.00 16.79 C ATOM 394 O ILE A 53 18.413 -0.860 -5.730 1.00 16.43 O ATOM 395 CB ILE A 53 18.324 -1.948 -2.625 1.00 18.20 C ATOM 396 CG1 ILE A 53 19.247 -1.161 -1.680 1.00 19.16 C ATOM 397 CG2 ILE A 53 19.074 -2.955 -3.467 1.00 19.16 C ATOM 398 CD1 ILE A 53 19.880 -2.054 -0.617 1.00 19.55 C ATOM 399 H ILE A 53 16.515 -2.564 -4.629 1.00 0.00 H ATOM 400 N SER A 54 18.716 0.917 -4.371 1.00 16.65 N ATOM 401 CA SER A 54 19.399 1.776 -5.350 1.00 16.20 C ATOM 402 C SER A 54 20.421 2.682 -4.639 1.00 16.05 C ATOM 403 O SER A 54 20.856 2.366 -3.537 1.00 15.33 O ATOM 404 CB SER A 54 18.370 2.584 -6.167 1.00 17.13 C ATOM 405 OG SER A 54 18.968 3.204 -7.307 1.00 16.72 O ATOM 406 HG SER A 54 19.355 2.508 -7.895 1.00 0.00 H ATOM 407 H SER A 54 18.573 1.290 -3.411 1.00 0.00 H ATOM 408 N ALA A 55 20.800 3.786 -5.269 1.00 15.51 N ATOM 409 CA ALA A 55 21.759 4.731 -4.700 1.00 16.53 C ATOM 410 C ALA A 55 21.096 6.065 -4.340 1.00 17.09 C ATOM 411 O ALA A 55 20.297 6.622 -5.113 1.00 18.10 O ATOM 412 CB ALA A 55 22.932 4.924 -5.659 1.00 15.97 C ATOM 413 H ALA A 55 20.398 3.988 -6.207 1.00 0.00 H ATOM 414 N THR A 56 21.436 6.601 -3.171 1.00 17.14 N ATOM 415 CA THR A 56 20.880 7.882 -2.736 1.00 17.61 C ATOM 416 C THR A 56 21.188 9.022 -3.714 1.00 17.14 C ATOM 417 O THR A 56 20.335 9.878 -3.944 1.00 17.25 O ATOM 418 CB THR A 56 21.297 8.238 -1.280 1.00 18.18 C ATOM 419 OG1 THR A 56 20.447 7.547 -0.367 1.00 19.29 O ATOM 420 CG2 THR A 56 21.176 9.702 -1.000 1.00 18.86 C ATOM 421 HG1 THR A 56 20.535 6.571 -0.510 1.00 0.00 H ATOM 422 H THR A 56 22.109 6.101 -2.556 1.00 0.00 H ATOM 423 N HIS A 57 22.372 9.031 -4.328 1.00 17.07 N ATOM 424 CA HIS A 57 22.740 10.170 -5.155 1.00 17.77 C ATOM 425 C HIS A 57 21.817 10.344 -6.351 1.00 18.56 C ATOM 426 O HIS A 57 21.721 11.437 -6.906 1.00 17.89 O ATOM 427 CB HIS A 57 24.208 10.129 -5.591 1.00 18.38 C ATOM 428 CG HIS A 57 24.472 9.285 -6.798 1.00 18.11 C ATOM 429 ND1 HIS A 57 25.058 8.046 -6.717 1.00 18.32 N ATOM 430 CD2 HIS A 57 24.256 9.515 -8.117 1.00 18.89 C ATOM 431 CE1 HIS A 57 25.200 7.546 -7.933 1.00 18.72 C ATOM 432 NE2 HIS A 57 24.705 8.411 -8.800 1.00 18.11 N ATOM 433 H HIS A 57 23.027 8.231 -4.217 1.00 0.00 H ATOM 434 N CYS A 58 21.137 9.264 -6.735 1.00 19.51 N ATOM 435 CA CYS A 58 20.167 9.295 -7.841 1.00 21.53 C ATOM 436 C CYS A 58 18.959 10.186 -7.557 1.00 20.33 C ATOM 437 O CYS A 58 18.366 10.733 -8.478 1.00 20.22 O ATOM 438 CB CYS A 58 19.671 7.879 -8.130 1.00 22.55 C ATOM 439 SG CYS A 58 20.931 6.743 -8.764 1.00 25.37 S ATOM 440 H CYS A 58 21.298 8.367 -6.235 1.00 0.00 H ATOM 441 N PHE A 59 18.624 10.332 -6.276 1.00 21.12 N ATOM 442 CA PHE A 59 17.351 10.947 -5.836 1.00 21.93 C ATOM 443 C PHE A 59 17.500 12.173 -4.939 1.00 22.66 C ATOM 444 O PHE A 59 16.524 12.892 -4.724 1.00 23.22 O ATOM 445 CB PHE A 59 16.531 9.912 -5.063 1.00 20.76 C ATOM 446 CG PHE A 59 16.478 8.571 -5.725 1.00 19.92 C ATOM 447 CD1 PHE A 59 15.650 8.363 -6.823 1.00 21.17 C ATOM 448 CD2 PHE A 59 17.260 7.512 -5.266 1.00 19.17 C ATOM 449 CE1 PHE A 59 15.609 7.118 -7.450 1.00 20.67 C ATOM 450 CE2 PHE A 59 17.224 6.268 -5.891 1.00 18.97 C ATOM 451 CZ PHE A 59 16.400 6.075 -6.988 1.00 19.68 C ATOM 452 H PHE A 59 19.289 9.998 -5.550 1.00 0.00 H ATOM 453 N ILE A 60 18.705 12.406 -4.422 1.00 23.47 N ATOM 454 CA ILE A 60 18.942 13.404 -3.368 1.00 25.33 C ATOM 455 C ILE A 60 18.472 14.821 -3.756 1.00 26.37 C ATOM 456 O ILE A 60 17.960 15.560 -2.911 1.00 27.04 O ATOM 457 CB ILE A 60 20.436 13.412 -2.924 1.00 25.21 C ATOM 458 CG1 ILE A 60 20.661 14.287 -1.680 1.00 26.56 C ATOM 459 CG2 ILE A 60 21.337 13.909 -4.038 1.00 25.80 C ATOM 460 CD1 ILE A 60 20.030 13.749 -0.424 1.00 27.64 C ATOM 461 H ILE A 60 19.514 11.858 -4.779 1.00 0.00 H ATOM 462 N ASP A 60A 18.637 15.194 -5.018 1.00 27.33 N ATOM 463 CA ASP A 60A 18.249 16.525 -5.479 1.00 29.00 C ATOM 464 C ASP A 60A 16.734 16.651 -5.738 1.00 29.42 C ATOM 465 O ASP A 60A 16.196 17.754 -5.733 1.00 28.91 O ATOM 466 CB ASP A 60A 19.063 16.911 -6.720 1.00 31.86 C ATOM 467 CG ASP A 60A 20.562 17.070 -6.418 1.00 34.74 C ATOM 468 OD1 ASP A 60A 20.939 17.324 -5.251 1.00 38.36 O ATOM 469 OD2 ASP A 60A 21.374 16.930 -7.352 1.00 38.22 O ATOM 470 H ASP A 60A 19.052 14.523 -5.695 1.00 0.00 H ATOM 471 N TYR A 60B 16.055 15.522 -5.924 1.00 28.46 N ATOM 472 CA TYR A 60B 14.621 15.506 -6.197 1.00 30.12 C ATOM 473 C TYR A 60B 13.954 14.421 -5.359 1.00 27.12 C ATOM 474 O TYR A 60B 13.554 13.378 -5.883 1.00 26.45 O ATOM 475 CB TYR A 60B 14.366 15.273 -7.696 1.00 33.31 C ATOM 476 CG TYR A 60B 15.035 16.295 -8.584 1.00 38.33 C ATOM 477 CD1 TYR A 60B 14.418 17.513 -8.875 1.00 40.76 C ATOM 478 CD2 TYR A 60B 16.298 16.055 -9.121 1.00 40.44 C ATOM 479 CE1 TYR A 60B 15.042 18.459 -9.679 1.00 42.85 C ATOM 480 CE2 TYR A 60B 16.926 16.990 -9.927 1.00 43.07 C ATOM 481 CZ TYR A 60B 16.298 18.189 -10.204 1.00 45.10 C ATOM 482 OH TYR A 60B 16.936 19.111 -11.010 1.00 50.67 O ATOM 483 HH TYR A 60B 16.362 19.911 -11.113 1.00 0.00 H ATOM 484 H TYR A 60B 16.565 14.617 -5.873 1.00 0.00 H ATOM 485 N PRO A 60C 13.827 14.652 -4.045 1.00 25.20 N ATOM 486 CA PRO A 60C 13.457 13.543 -3.172 1.00 26.41 C ATOM 487 C PRO A 60C 11.952 13.273 -3.096 1.00 27.05 C ATOM 488 O PRO A 60C 11.506 12.560 -2.216 1.00 30.23 O ATOM 489 CB PRO A 60C 13.995 13.991 -1.815 1.00 25.92 C ATOM 490 CG PRO A 60C 13.820 15.465 -1.855 1.00 25.28 C ATOM 491 CD PRO A 60C 14.122 15.872 -3.276 1.00 25.60 C ATOM 492 N LYS A 61 11.199 13.806 -4.040 1.00 28.16 N ATOM 493 CA LYS A 61 9.748 13.683 -4.043 1.00 28.78 C ATOM 494 C LYS A 61 9.321 12.359 -4.676 1.00 27.78 C ATOM 495 O LYS A 61 9.476 12.162 -5.887 1.00 25.41 O ATOM 496 CB LYS A 61 9.191 14.873 -4.809 1.00 30.95 C ATOM 497 CG LYS A 61 7.693 15.045 -4.770 1.00 34.03 C ATOM 498 CD LYS A 61 7.334 16.369 -5.427 1.00 35.67 C ATOM 499 CE LYS A 61 5.831 16.607 -5.436 1.00 37.78 C ATOM 500 NZ LYS A 61 5.205 16.170 -6.717 1.00 41.04 N ATOM 501 HZ1 LYS A 61 5.624 16.703 -7.506 1.00 0.00 H ATOM 502 HZ2 LYS A 61 5.375 15.153 -6.855 1.00 0.00 H ATOM 503 HZ3 LYS A 61 4.181 16.350 -6.680 1.00 0.00 H ATOM 504 H LYS A 61 11.659 14.333 -4.810 1.00 0.00 H ATOM 505 N LYS A 62 8.795 11.447 -3.863 1.00 26.33 N ATOM 506 CA LYS A 62 8.555 10.080 -4.313 1.00 25.74 C ATOM 507 C LYS A 62 7.547 9.983 -5.460 1.00 25.28 C ATOM 508 O LYS A 62 7.602 9.044 -6.245 1.00 24.67 O ATOM 509 CB LYS A 62 8.140 9.166 -3.150 1.00 27.50 C ATOM 510 CG LYS A 62 6.748 9.437 -2.605 1.00 27.64 C ATOM 511 CD LYS A 62 6.514 8.728 -1.283 1.00 30.07 C ATOM 512 CE LYS A 62 5.028 8.548 -1.005 1.00 31.75 C ATOM 513 NZ LYS A 62 4.302 9.834 -0.928 1.00 33.86 N ATOM 514 HZ1 LYS A 62 4.703 10.411 -0.161 1.00 0.00 H ATOM 515 HZ2 LYS A 62 4.399 10.340 -1.831 1.00 0.00 H ATOM 516 HZ3 LYS A 62 3.296 9.652 -0.737 1.00 0.00 H ATOM 517 H LYS A 62 8.550 11.713 -2.888 1.00 0.00 H ATOM 518 N GLU A 62A 6.658 10.965 -5.561 1.00 25.54 N ATOM 519 CA GLU A 62A 5.625 11.003 -6.604 1.00 27.45 C ATOM 520 C GLU A 62A 6.219 11.162 -7.994 1.00 27.17 C ATOM 521 O GLU A 62A 5.588 10.805 -8.988 1.00 28.27 O ATOM 522 CB GLU A 62A 4.656 12.165 -6.363 1.00 30.32 C ATOM 523 CG GLU A 62A 3.733 11.988 -5.179 1.00 32.88 C ATOM 524 CD GLU A 62A 4.444 11.965 -3.844 1.00 35.34 C ATOM 525 OE1 GLU A 62A 5.409 12.748 -3.630 1.00 36.01 O ATOM 526 OE2 GLU A 62A 4.011 11.149 -2.990 1.00 38.78 O ATOM 527 H GLU A 62A 6.695 11.742 -4.870 1.00 0.00 H ATOM 528 N ASP A 63 7.433 11.698 -8.062 1.00 26.16 N ATOM 529 CA ASP A 63 8.085 11.938 -9.342 1.00 27.43 C ATOM 530 C ASP A 63 8.573 10.658 -10.026 1.00 25.69 C ATOM 531 O ASP A 63 8.894 10.697 -11.206 1.00 27.05 O ATOM 532 CB ASP A 63 9.276 12.890 -9.168 1.00 29.40 C ATOM 533 CG ASP A 63 8.861 14.324 -8.883 1.00 32.47 C ATOM 534 OD1 ASP A 63 7.676 14.671 -9.069 1.00 33.26 O ATOM 535 OD2 ASP A 63 9.751 15.107 -8.491 1.00 36.20 O ATOM 536 H ASP A 63 7.928 11.951 -7.183 1.00 0.00 H ATOM 537 N TYR A 64 8.641 9.539 -9.309 1.00 22.88 N ATOM 538 CA TYR A 64 9.324 8.359 -9.842 1.00 21.32 C ATOM 539 C TYR A 64 8.418 7.215 -10.290 1.00 21.68 C ATOM 540 O TYR A 64 7.318 7.003 -9.760 1.00 21.79 O ATOM 541 CB TYR A 64 10.352 7.862 -8.825 1.00 21.02 C ATOM 542 CG TYR A 64 11.408 8.894 -8.566 1.00 20.12 C ATOM 543 CD1 TYR A 64 12.496 9.043 -9.432 1.00 20.72 C ATOM 544 CD2 TYR A 64 11.332 9.720 -7.465 1.00 19.83 C ATOM 545 CE1 TYR A 64 13.470 9.997 -9.202 1.00 20.71 C ATOM 546 CE2 TYR A 64 12.299 10.666 -7.226 1.00 20.54 C ATOM 547 CZ TYR A 64 13.365 10.806 -8.104 1.00 20.34 C ATOM 548 OH TYR A 64 14.315 11.758 -7.859 1.00 21.34 O ATOM 549 HH TYR A 64 13.889 12.652 -7.845 1.00 0.00 H ATOM 550 H TYR A 64 8.207 9.503 -8.365 1.00 0.00 H ATOM 551 N ILE A 65 8.903 6.511 -11.301 1.00 21.39 N ATOM 552 CA ILE A 65 8.316 5.292 -11.829 1.00 22.70 C ATOM 553 C ILE A 65 9.366 4.179 -11.798 1.00 21.44 C ATOM 554 O ILE A 65 10.530 4.408 -12.141 1.00 20.86 O ATOM 555 CB ILE A 65 7.877 5.481 -13.304 1.00 25.10 C ATOM 556 CG1 ILE A 65 6.895 6.637 -13.443 1.00 27.09 C ATOM 557 CG2 ILE A 65 7.272 4.200 -13.858 1.00 27.80 C ATOM 558 CD1 ILE A 65 5.613 6.440 -12.676 1.00 28.89 C ATOM 559 H ILE A 65 9.773 6.858 -11.753 1.00 0.00 H ATOM 560 N VAL A 66 8.960 2.988 -11.368 1.00 19.52 N ATOM 561 CA VAL A 66 9.846 1.828 -11.330 1.00 19.07 C ATOM 562 C VAL A 66 9.254 0.725 -12.187 1.00 19.55 C ATOM 563 O VAL A 66 8.084 0.356 -12.019 1.00 19.04 O ATOM 564 CB VAL A 66 10.048 1.303 -9.896 1.00 18.71 C ATOM 565 CG1 VAL A 66 11.001 0.117 -9.897 1.00 18.81 C ATOM 566 CG2 VAL A 66 10.565 2.426 -9.006 1.00 18.58 C ATOM 567 H VAL A 66 7.977 2.879 -11.047 1.00 0.00 H ATOM 568 N TYR A 67 10.050 0.229 -13.133 1.00 19.73 N ATOM 569 CA TYR A 67 9.673 -0.927 -13.923 1.00 20.13 C ATOM 570 C TYR A 67 10.509 -2.125 -13.551 1.00 19.92 C ATOM 571 O TYR A 67 11.725 -2.001 -13.327 1.00 19.43 O ATOM 572 CB TYR A 67 9.884 -0.668 -15.408 1.00 21.59 C ATOM 573 CG TYR A 67 8.866 0.228 -16.052 1.00 22.08 C ATOM 574 CD1 TYR A 67 7.709 -0.300 -16.609 1.00 24.45 C ATOM 575 CD2 TYR A 67 9.073 1.606 -16.133 1.00 24.05 C ATOM 576 CE1 TYR A 67 6.780 0.516 -17.237 1.00 25.41 C ATOM 577 CE2 TYR A 67 8.152 2.430 -16.756 1.00 25.29 C ATOM 578 CZ TYR A 67 7.006 1.874 -17.300 1.00 26.04 C ATOM 579 OH TYR A 67 6.084 2.666 -17.915 1.00 29.21 O ATOM 580 HH TYR A 67 5.336 2.106 -18.242 1.00 0.00 H ATOM 581 H TYR A 67 10.968 0.684 -13.310 1.00 0.00 H ATOM 582 N LEU A 68 9.843 -3.273 -13.501 1.00 19.12 N ATOM 583 CA LEU A 68 10.465 -4.565 -13.393 1.00 19.34 C ATOM 584 C LEU A 68 10.104 -5.374 -14.641 1.00 19.64 C ATOM 585 O LEU A 68 9.070 -5.136 -15.266 1.00 19.69 O ATOM 586 CB LEU A 68 9.982 -5.277 -12.135 1.00 19.90 C ATOM 587 CG LEU A 68 10.197 -4.583 -10.791 1.00 20.17 C ATOM 588 CD1 LEU A 68 9.581 -5.454 -9.709 1.00 20.55 C ATOM 589 CD2 LEU A 68 11.668 -4.322 -10.520 1.00 20.37 C ATOM 590 H LEU A 68 8.805 -3.235 -13.543 1.00 0.00 H ATOM 591 N GLY A 69 10.952 -6.320 -15.017 1.00 19.09 N ATOM 592 CA GLY A 69 10.688 -7.131 -16.219 1.00 20.06 C ATOM 593 C GLY A 69 10.837 -6.383 -17.536 1.00 21.31 C ATOM 594 O GLY A 69 10.276 -6.788 -18.548 1.00 22.97 O ATOM 595 H GLY A 69 11.812 -6.492 -14.459 1.00 0.00 H ATOM 596 N ARG A 70 11.594 -5.293 -17.505 1.00 23.28 N ATOM 597 CA ARG A 70 11.822 -4.395 -18.649 1.00 25.38 C ATOM 598 C ARG A 70 13.259 -4.552 -19.173 1.00 24.59 C ATOM 599 O ARG A 70 14.205 -4.381 -18.416 1.00 24.45 O ATOM 600 CB ARG A 70 11.619 -2.956 -18.167 1.00 27.91 C ATOM 601 CG ARG A 70 11.737 -1.862 -19.216 1.00 31.35 C ATOM 602 CD ARG A 70 10.387 -1.282 -19.569 1.00 33.52 C ATOM 603 NE ARG A 70 10.454 0.143 -19.817 1.00 36.93 N ATOM 604 CZ ARG A 70 9.415 0.909 -20.121 1.00 36.80 C ATOM 605 NH1 ARG A 70 8.196 0.398 -20.243 1.00 37.64 N ATOM 606 NH2 ARG A 70 9.606 2.201 -20.313 1.00 39.94 N ATOM 607 HE ARG A 70 11.386 0.600 -19.752 1.00 0.00 H ATOM 608 HH12 ARG A 70 7.395 1.016 -20.482 1.00 0.00 H ATOM 609 HH11 ARG A 70 8.042 -0.621 -20.100 1.00 0.00 H ATOM 610 HH22 ARG A 70 8.802 2.816 -20.552 1.00 0.00 H ATOM 611 HH21 ARG A 70 10.561 2.604 -20.225 1.00 0.00 H ATOM 612 H ARG A 70 12.060 -5.056 -16.606 1.00 0.00 H ATOM 613 N SER A 71 13.390 -4.905 -20.453 1.00 23.89 N ATOM 614 CA SER A 71 14.671 -5.092 -21.150 1.00 24.18 C ATOM 615 C SER A 71 15.086 -3.900 -22.007 1.00 23.76 C ATOM 616 O SER A 71 16.243 -3.788 -22.384 1.00 22.46 O ATOM 617 CB SER A 71 14.592 -6.293 -22.084 1.00 24.43 C ATOM 618 OG SER A 71 14.559 -7.498 -21.372 1.00 24.75 O ATOM 619 HG SER A 71 14.508 -8.255 -22.008 1.00 0.00 H ATOM 620 H SER A 71 12.519 -5.060 -21.000 1.00 0.00 H ATOM 621 N ARG A 72 14.139 -3.041 -22.345 1.00 25.30 N ATOM 622 CA ARG A 72 14.424 -1.902 -23.217 1.00 26.96 C ATOM 623 C ARG A 72 13.968 -0.597 -22.582 1.00 27.79 C ATOM 624 O ARG A 72 12.945 -0.551 -21.899 1.00 26.26 O ATOM 625 CB ARG A 72 13.810 -2.103 -24.604 1.00 28.51 C ATOM 626 CG ARG A 72 14.625 -3.066 -25.464 1.00 30.45 C ATOM 627 CD ARG A 72 14.003 -3.334 -26.830 1.00 32.06 C ATOM 628 NE ARG A 72 14.197 -2.243 -27.785 1.00 33.31 N ATOM 629 CZ ARG A 72 15.291 -2.034 -28.527 1.00 35.19 C ATOM 630 NH1 ARG A 72 15.316 -1.002 -29.369 1.00 35.91 N ATOM 631 NH2 ARG A 72 16.358 -2.832 -28.442 1.00 33.35 N ATOM 632 HE ARG A 72 13.414 -1.568 -27.898 1.00 0.00 H ATOM 633 HH12 ARG A 72 16.159 -0.827 -29.952 1.00 0.00 H ATOM 634 HH11 ARG A 72 14.492 -0.371 -29.443 1.00 0.00 H ATOM 635 HH22 ARG A 72 17.195 -2.646 -29.031 1.00 0.00 H ATOM 636 HH21 ARG A 72 16.352 -3.640 -27.787 1.00 0.00 H ATOM 637 H ARG A 72 13.173 -3.178 -21.984 1.00 0.00 H ATOM 638 N LEU A 73 14.735 0.457 -22.838 1.00 26.80 N ATOM 639 CA LEU A 73 14.579 1.731 -22.148 1.00 30.62 C ATOM 640 C LEU A 73 13.268 2.448 -22.472 1.00 32.89 C ATOM 641 O LEU A 73 12.656 3.045 -21.587 1.00 34.71 O ATOM 642 CB LEU A 73 15.761 2.645 -22.475 1.00 31.18 C ATOM 643 CG LEU A 73 16.160 3.736 -21.484 1.00 32.60 C ATOM 644 CD1 LEU A 73 16.441 3.170 -20.103 1.00 32.22 C ATOM 645 CD2 LEU A 73 17.386 4.457 -22.014 1.00 33.28 C ATOM 646 H LEU A 73 15.478 0.369 -23.561 1.00 0.00 H ATOM 647 N ASN A 74 12.839 2.386 -23.724 1.00 36.96 N ATOM 648 CA ASN A 74 11.663 3.142 -24.168 1.00 42.61 C ATOM 649 C ASN A 74 10.660 2.286 -24.930 1.00 44.29 C ATOM 650 O ASN A 74 10.083 2.715 -25.934 1.00 49.78 O ATOM 651 CB ASN A 74 12.106 4.360 -24.991 1.00 45.20 C ATOM 652 CG ASN A 74 12.590 5.500 -24.116 1.00 47.76 C ATOM 653 OD1 ASN A 74 11.791 6.145 -23.433 1.00 52.94 O ATOM 654 ND2 ASN A 74 13.901 5.754 -24.122 1.00 47.51 N ATOM 655 HD22 ASN A 74 14.538 5.184 -24.714 1.00 0.00 H ATOM 656 HD21 ASN A 74 14.285 6.522 -23.535 1.00 0.00 H ATOM 657 H ASN A 74 13.347 1.788 -24.407 1.00 0.00 H ATOM 658 N SER A 75 10.449 1.071 -24.442 1.00 43.93 N ATOM 659 CA SER A 75 9.437 0.191 -25.001 1.00 45.70 C ATOM 660 C SER A 75 8.903 -0.780 -23.955 1.00 44.97 C ATOM 661 O SER A 75 9.549 -1.032 -22.937 1.00 44.38 O ATOM 662 CB SER A 75 9.997 -0.571 -26.203 1.00 47.26 C ATOM 663 OG SER A 75 10.876 -1.606 -25.806 1.00 48.65 O ATOM 664 HG SER A 75 11.216 -2.074 -26.609 1.00 0.00 H ATOM 665 H SER A 75 11.022 0.740 -23.640 1.00 0.00 H ATOM 666 N ASN A 76 7.722 -1.325 -24.236 1.00 45.54 N ATOM 667 CA ASN A 76 7.008 -2.206 -23.312 1.00 46.68 C ATOM 668 C ASN A 76 7.323 -3.668 -23.590 1.00 47.72 C ATOM 669 O ASN A 76 6.815 -4.248 -24.560 1.00 49.10 O ATOM 670 CB ASN A 76 5.491 -1.999 -23.426 1.00 47.56 C ATOM 671 CG ASN A 76 5.063 -0.579 -23.107 1.00 49.16 C ATOM 672 OD1 ASN A 76 4.432 0.086 -23.932 1.00 50.38 O ATOM 673 ND2 ASN A 76 5.397 -0.105 -21.907 1.00 48.13 N ATOM 674 HD22 ASN A 76 5.930 -0.701 -21.242 1.00 0.00 H ATOM 675 HD21 ASN A 76 5.125 0.861 -21.635 1.00 0.00 H ATOM 676 H ASN A 76 7.286 -1.115 -25.156 1.00 0.00 H ATOM 677 N THR A 77 8.147 -4.268 -22.734 1.00 44.12 N ATOM 678 CA THR A 77 8.534 -5.666 -22.912 1.00 41.67 C ATOM 679 C THR A 77 7.472 -6.541 -22.263 1.00 40.28 C ATOM 680 O THR A 77 6.937 -6.206 -21.206 1.00 38.13 O ATOM 681 CB THR A 77 9.927 -5.989 -22.320 1.00 42.41 C ATOM 682 OG1 THR A 77 9.804 -6.355 -20.947 1.00 45.24 O ATOM 683 CG2 THR A 77 10.875 -4.806 -22.462 1.00 40.17 C ATOM 684 HG1 THR A 77 10.700 -6.559 -20.580 1.00 0.00 H ATOM 685 H THR A 77 8.522 -3.733 -21.925 1.00 0.00 H ATOM 686 N GLN A 78 7.169 -7.666 -22.897 1.00 39.22 N ATOM 687 CA GLN A 78 6.091 -8.528 -22.440 1.00 39.14 C ATOM 688 C GLN A 78 6.354 -9.051 -21.029 1.00 35.66 C ATOM 689 O GLN A 78 7.454 -9.533 -20.730 1.00 34.36 O ATOM 690 CB GLN A 78 5.890 -9.694 -23.406 1.00 42.83 C ATOM 691 CG GLN A 78 4.667 -10.539 -23.096 1.00 46.37 C ATOM 692 CD GLN A 78 4.154 -11.284 -24.317 1.00 52.19 C ATOM 693 OE1 GLN A 78 4.935 -11.699 -25.177 1.00 55.72 O ATOM 694 NE2 GLN A 78 2.835 -11.458 -24.401 1.00 55.41 N ATOM 695 HE22 GLN A 78 2.213 -11.091 -23.652 1.00 0.00 H ATOM 696 HE21 GLN A 78 2.428 -11.961 -25.215 1.00 0.00 H ATOM 697 H GLN A 78 7.715 -7.938 -23.740 1.00 0.00 H ATOM 698 N GLY A 79 5.335 -8.947 -20.176 1.00 33.08 N ATOM 699 CA GLY A 79 5.436 -9.381 -18.774 1.00 31.11 C ATOM 700 C GLY A 79 6.009 -8.338 -17.817 1.00 30.15 C ATOM 701 O GLY A 79 6.174 -8.628 -16.635 1.00 29.74 O ATOM 702 H GLY A 79 4.437 -8.545 -20.513 1.00 0.00 H ATOM 703 N GLU A 80 6.318 -7.136 -18.310 1.00 27.70 N ATOM 704 CA GLU A 80 6.807 -6.054 -17.439 1.00 27.93 C ATOM 705 C GLU A 80 5.728 -5.573 -16.489 1.00 26.35 C ATOM 706 O GLU A 80 4.533 -5.650 -16.796 1.00 25.43 O ATOM 707 CB GLU A 80 7.309 -4.850 -18.240 1.00 30.28 C ATOM 708 CG GLU A 80 6.206 -3.986 -18.831 1.00 31.80 C ATOM 709 CD GLU A 80 6.735 -2.809 -19.605 1.00 33.41 C ATOM 710 OE1 GLU A 80 7.941 -2.793 -19.909 1.00 36.58 O ATOM 711 OE2 GLU A 80 5.944 -1.888 -19.910 1.00 37.06 O ATOM 712 H GLU A 80 6.211 -6.961 -19.330 1.00 0.00 H ATOM 713 N MET A 81 6.171 -5.047 -15.351 1.00 24.81 N ATOM 714 CA MET A 81 5.289 -4.508 -14.321 1.00 25.35 C ATOM 715 C MET A 81 5.734 -3.070 -14.011 1.00 23.67 C ATOM 716 O MET A 81 6.930 -2.801 -13.826 1.00 23.34 O ATOM 717 CB MET A 81 5.362 -5.351 -13.031 1.00 27.44 C ATOM 718 CG MET A 81 4.718 -6.733 -13.042 1.00 30.12 C ATOM 719 SD MET A 81 4.616 -7.540 -11.399 1.00 35.31 S ATOM 720 CE MET A 81 3.038 -6.888 -10.829 1.00 35.75 C ATOM 721 H MET A 81 7.198 -5.018 -15.187 1.00 0.00 H ATOM 722 N LYS A 82 4.773 -2.158 -13.960 1.00 22.93 N ATOM 723 CA LYS A 82 5.008 -0.757 -13.625 1.00 23.16 C ATOM 724 C LYS A 82 4.598 -0.438 -12.186 1.00 22.57 C ATOM 725 O LYS A 82 3.514 -0.834 -11.734 1.00 21.59 O ATOM 726 CB LYS A 82 4.212 0.125 -14.583 1.00 25.08 C ATOM 727 CG LYS A 82 4.477 1.612 -14.459 1.00 27.35 C ATOM 728 CD LYS A 82 3.630 2.402 -15.465 1.00 30.27 C ATOM 729 CE LYS A 82 3.726 3.896 -15.196 1.00 33.27 C ATOM 730 NZ LYS A 82 2.781 4.711 -16.008 1.00 35.09 N ATOM 731 HZ1 LYS A 82 2.978 4.564 -17.018 1.00 0.00 H ATOM 732 HZ2 LYS A 82 1.805 4.420 -15.798 1.00 0.00 H ATOM 733 HZ3 LYS A 82 2.902 5.717 -15.773 1.00 0.00 H ATOM 734 H LYS A 82 3.799 -2.457 -14.170 1.00 0.00 H ATOM 735 N PHE A 83 5.444 0.308 -11.484 1.00 21.17 N ATOM 736 CA PHE A 83 5.194 0.661 -10.085 1.00 21.51 C ATOM 737 C PHE A 83 5.375 2.139 -9.775 1.00 22.65 C ATOM 738 O PHE A 83 6.201 2.833 -10.398 1.00 20.53 O ATOM 739 CB PHE A 83 6.122 -0.140 -9.164 1.00 21.44 C ATOM 740 CG PHE A 83 5.978 -1.619 -9.321 1.00 21.81 C ATOM 741 CD1 PHE A 83 6.729 -2.299 -10.264 1.00 21.28 C ATOM 742 CD2 PHE A 83 5.052 -2.327 -8.567 1.00 21.42 C ATOM 743 CE1 PHE A 83 6.593 -3.659 -10.422 1.00 21.71 C ATOM 744 CE2 PHE A 83 4.911 -3.685 -8.728 1.00 21.54 C ATOM 745 CZ PHE A 83 5.679 -4.353 -9.662 1.00 22.58 C ATOM 746 H PHE A 83 6.312 0.652 -11.943 1.00 0.00 H ATOM 747 N GLU A 84 4.590 2.598 -8.793 1.00 22.75 N ATOM 748 CA GLU A 84 4.787 3.881 -8.134 1.00 24.14 C ATOM 749 C GLU A 84 5.670 3.637 -6.921 1.00 21.69 C ATOM 750 O GLU A 84 5.825 2.501 -6.458 1.00 19.75 O ATOM 751 CB GLU A 84 3.452 4.466 -7.638 1.00 28.47 C ATOM 752 CG GLU A 84 2.249 4.350 -8.579 1.00 33.80 C ATOM 753 CD GLU A 84 2.330 5.255 -9.800 1.00 39.48 C ATOM 754 OE1 GLU A 84 2.098 4.752 -10.929 1.00 45.23 O ATOM 755 OE2 GLU A 84 2.604 6.468 -9.643 1.00 43.86 O ATOM 756 H GLU A 84 3.794 2.004 -8.483 1.00 0.00 H ATOM 757 N VAL A 85 6.217 4.707 -6.373 1.00 21.78 N ATOM 758 CA VAL A 85 7.060 4.598 -5.188 1.00 22.31 C ATOM 759 C VAL A 85 6.235 5.051 -3.982 1.00 23.03 C ATOM 760 O VAL A 85 5.798 6.184 -3.907 1.00 22.67 O ATOM 761 CB VAL A 85 8.366 5.395 -5.318 1.00 22.27 C ATOM 762 CG1 VAL A 85 9.248 5.210 -4.089 1.00 23.28 C ATOM 763 CG2 VAL A 85 9.120 4.952 -6.565 1.00 22.34 C ATOM 764 H VAL A 85 6.044 5.642 -6.793 1.00 0.00 H ATOM 765 N GLU A 86 6.039 4.132 -3.058 1.00 24.45 N ATOM 766 CA GLU A 86 5.270 4.360 -1.851 1.00 27.06 C ATOM 767 C GLU A 86 6.111 4.981 -0.735 1.00 25.38 C ATOM 768 O GLU A 86 5.595 5.665 0.146 1.00 24.63 O ATOM 769 CB GLU A 86 4.681 3.024 -1.388 1.00 30.59 C ATOM 770 CG GLU A 86 3.516 3.167 -0.427 1.00 36.71 C ATOM 771 CD GLU A 86 2.428 4.073 -0.973 1.00 41.74 C ATOM 772 OE1 GLU A 86 2.270 4.155 -2.216 1.00 50.12 O ATOM 773 OE2 GLU A 86 1.723 4.713 -0.163 1.00 50.76 O ATOM 774 H GLU A 86 6.459 3.192 -3.203 1.00 0.00 H ATOM 775 N ASN A 87 7.411 4.732 -0.755 1.00 23.58 N ATOM 776 CA ASN A 87 8.290 5.297 0.251 1.00 23.93 C ATOM 777 C ASN A 87 9.671 5.369 -0.350 1.00 23.12 C ATOM 778 O ASN A 87 10.150 4.381 -0.895 1.00 22.22 O ATOM 779 CB ASN A 87 8.290 4.422 1.507 1.00 25.17 C ATOM 780 CG ASN A 87 8.826 5.140 2.736 1.00 27.32 C ATOM 781 OD1 ASN A 87 9.191 6.313 2.689 1.00 29.59 O ATOM 782 ND2 ASN A 87 8.884 4.422 3.846 1.00 28.70 N ATOM 783 HD22 ASN A 87 8.565 3.432 3.842 1.00 0.00 H ATOM 784 HD21 ASN A 87 9.249 4.847 4.722 1.00 0.00 H ATOM 785 H ASN A 87 7.807 4.124 -1.501 1.00 0.00 H ATOM 786 N LEU A 88 10.266 6.549 -0.299 1.00 22.83 N ATOM 787 CA LEU A 88 11.625 6.752 -0.768 1.00 23.58 C ATOM 788 C LEU A 88 12.492 7.055 0.434 1.00 24.00 C ATOM 789 O LEU A 88 12.333 8.090 1.086 1.00 25.80 O ATOM 790 CB LEU A 88 11.675 7.886 -1.778 1.00 23.93 C ATOM 791 CG LEU A 88 13.065 8.257 -2.314 1.00 24.83 C ATOM 792 CD1 LEU A 88 13.698 7.085 -3.049 1.00 24.70 C ATOM 793 CD2 LEU A 88 12.972 9.465 -3.228 1.00 26.29 C ATOM 794 H LEU A 88 9.743 7.359 0.090 1.00 0.00 H ATOM 795 N ILE A 89 13.408 6.142 0.727 1.00 24.00 N ATOM 796 CA ILE A 89 14.250 6.246 1.897 1.00 24.11 C ATOM 797 C ILE A 89 15.695 6.424 1.446 1.00 23.45 C ATOM 798 O ILE A 89 16.272 5.519 0.858 1.00 21.77 O ATOM 799 CB ILE A 89 14.136 4.993 2.769 1.00 25.01 C ATOM 800 CG1 ILE A 89 12.668 4.754 3.182 1.00 25.72 C ATOM 801 CG2 ILE A 89 15.034 5.114 3.993 1.00 25.44 C ATOM 802 CD1 ILE A 89 12.437 3.405 3.827 1.00 26.96 C ATOM 803 H ILE A 89 13.524 5.325 0.094 1.00 0.00 H ATOM 804 N LEU A 90 16.247 7.595 1.742 1.00 22.30 N ATOM 805 CA LEU A 90 17.639 7.917 1.442 1.00 23.19 C ATOM 806 C LEU A 90 18.444 7.758 2.715 1.00 23.49 C ATOM 807 O LEU A 90 17.896 7.837 3.819 1.00 23.45 O ATOM 808 CB LEU A 90 17.755 9.345 0.898 1.00 23.23 C ATOM 809 CG LEU A 90 16.748 9.696 -0.199 1.00 24.43 C ATOM 810 CD1 LEU A 90 17.022 11.077 -0.740 1.00 24.99 C ATOM 811 CD2 LEU A 90 16.763 8.671 -1.329 1.00 24.62 C ATOM 812 H LEU A 90 15.661 8.316 2.209 1.00 0.00 H ATOM 813 N HIS A 91 19.735 7.488 2.571 1.00 23.14 N ATOM 814 CA HIS A 91 20.590 7.312 3.732 1.00 23.97 C ATOM 815 C HIS A 91 20.880 8.692 4.315 1.00 24.52 C ATOM 816 O HIS A 91 21.353 9.579 3.609 1.00 23.60 O ATOM 817 CB HIS A 91 21.887 6.578 3.362 1.00 23.91 C ATOM 818 CG HIS A 91 22.549 5.919 4.531 1.00 24.66 C ATOM 819 ND1 HIS A 91 23.170 6.639 5.525 1.00 24.43 N ATOM 820 CD2 HIS A 91 22.672 4.616 4.877 1.00 24.90 C ATOM 821 CE1 HIS A 91 23.651 5.811 6.433 1.00 23.97 C ATOM 822 NE2 HIS A 91 23.360 4.579 6.066 1.00 25.11 N ATOM 823 H HIS A 91 20.139 7.401 1.617 1.00 0.00 H ATOM 824 N LYS A 92 20.589 8.882 5.602 1.00 27.15 N ATOM 825 CA LYS A 92 20.752 10.221 6.217 1.00 30.63 C ATOM 826 C LYS A 92 22.202 10.708 6.320 1.00 30.18 C ATOM 827 O LYS A 92 22.447 11.906 6.454 1.00 31.44 O ATOM 828 CB LYS A 92 20.072 10.302 7.584 1.00 34.41 C ATOM 829 CG LYS A 92 18.660 10.872 7.487 1.00 38.72 C ATOM 830 CD LYS A 92 17.670 9.862 6.924 1.00 41.71 C ATOM 831 CE LYS A 92 16.556 10.518 6.128 1.00 43.73 C ATOM 832 NZ LYS A 92 17.017 10.828 4.747 1.00 44.46 N ATOM 833 HZ1 LYS A 92 17.829 11.476 4.791 1.00 0.00 H ATOM 834 HZ2 LYS A 92 17.300 9.947 4.272 1.00 0.00 H ATOM 835 HZ3 LYS A 92 16.243 11.276 4.217 1.00 0.00 H ATOM 836 H LYS A 92 20.246 8.087 6.178 1.00 0.00 H ATOM 837 N ASP A 93 23.143 9.776 6.257 1.00 28.29 N ATOM 838 CA ASP A 93 24.575 10.092 6.244 1.00 29.49 C ATOM 839 C ASP A 93 25.195 10.066 4.856 1.00 27.11 C ATOM 840 O ASP A 93 26.427 9.981 4.727 1.00 27.29 O ATOM 841 CB ASP A 93 25.337 9.121 7.142 1.00 31.34 C ATOM 842 CG ASP A 93 24.982 9.278 8.600 1.00 34.48 C ATOM 843 OD1 ASP A 93 24.758 10.428 9.035 1.00 36.15 O ATOM 844 OD2 ASP A 93 24.935 8.245 9.305 1.00 36.53 O ATOM 845 H ASP A 93 22.853 8.778 6.215 1.00 0.00 H ATOM 846 N TYR A 94 24.365 10.127 3.817 1.00 26.12 N ATOM 847 CA TYR A 94 24.894 10.279 2.462 1.00 24.54 C ATOM 848 C TYR A 94 25.707 11.569 2.349 1.00 24.85 C ATOM 849 O TYR A 94 25.289 12.638 2.828 1.00 24.66 O ATOM 850 CB TYR A 94 23.789 10.260 1.387 1.00 23.11 C ATOM 851 CG TYR A 94 24.336 10.699 0.034 1.00 22.17 C ATOM 852 CD1 TYR A 94 25.044 9.808 -0.769 1.00 20.97 C ATOM 853 CD2 TYR A 94 24.196 12.019 -0.410 1.00 20.52 C ATOM 854 CE1 TYR A 94 25.571 10.202 -1.986 1.00 20.50 C ATOM 855 CE2 TYR A 94 24.737 12.425 -1.621 1.00 21.12 C ATOM 856 CZ TYR A 94 25.415 11.504 -2.409 1.00 20.86 C ATOM 857 OH TYR A 94 25.956 11.894 -3.615 1.00 20.36 O ATOM 858 HH TYR A 94 26.400 11.119 -4.042 1.00 0.00 H ATOM 859 H TYR A 94 23.338 10.066 3.969 1.00 0.00 H ATOM 860 N SER A 95 26.877 11.470 1.722 1.00 24.43 N ATOM 861 CA SER A 95 27.638 12.662 1.363 1.00 25.46 C ATOM 862 C SER A 95 28.505 12.466 0.128 1.00 25.82 C ATOM 863 O SER A 95 28.909 11.366 -0.194 1.00 24.74 O ATOM 864 CB SER A 95 28.476 13.165 2.544 1.00 26.04 C ATOM 865 OG SER A 95 29.593 12.335 2.822 1.00 25.12 O ATOM 866 HG SER A 95 29.278 11.423 3.042 1.00 0.00 H ATOM 867 H SER A 95 27.254 10.530 1.485 1.00 0.00 H ATOM 868 N ALA A 96 28.761 13.569 -0.562 1.00 28.35 N ATOM 869 CA ALA A 96 29.588 13.585 -1.759 1.00 29.50 C ATOM 870 C ALA A 96 30.790 14.511 -1.539 1.00 31.74 C ATOM 871 O ALA A 96 30.624 15.697 -1.233 1.00 31.64 O ATOM 872 CB ALA A 96 28.756 14.048 -2.938 1.00 30.45 C ATOM 873 H ALA A 96 28.351 14.466 -0.232 1.00 0.00 H ATOM 874 N ASP A 97 31.996 13.965 -1.670 1.00 32.21 N ATOM 875 CA ASP A 97 33.230 14.718 -1.418 1.00 34.29 C ATOM 876 C ASP A 97 33.942 15.068 -2.714 1.00 32.05 C ATOM 877 O ASP A 97 33.286 15.364 -3.711 1.00 32.23 O ATOM 878 CB ASP A 97 34.134 13.922 -0.480 1.00 38.15 C ATOM 879 CG ASP A 97 33.463 13.605 0.831 1.00 43.40 C ATOM 880 OD1 ASP A 97 32.392 14.185 1.122 1.00 49.68 O ATOM 881 OD2 ASP A 97 34.007 12.770 1.575 1.00 49.57 O ATOM 882 H ASP A 97 32.067 12.969 -1.961 1.00 0.00 H ATOM 883 N THR A 97A 35.275 15.079 -2.711 1.00 30.94 N ATOM 884 CA THR A 97A 36.012 15.405 -3.926 1.00 29.99 C ATOM 885 C THR A 97A 35.644 14.398 -5.014 1.00 28.99 C ATOM 886 O THR A 97A 35.136 14.784 -6.061 1.00 29.47 O ATOM 887 CB THR A 97A 37.544 15.440 -3.710 1.00 31.10 C ATOM 888 OG1 THR A 97A 37.859 16.398 -2.694 1.00 31.95 O ATOM 889 CG2 THR A 97A 38.258 15.855 -4.992 1.00 31.75 C ATOM 890 HG1 THR A 97A 38.839 16.420 -2.556 1.00 0.00 H ATOM 891 H THR A 97A 35.792 14.854 -1.837 1.00 0.00 H ATOM 892 N LEU A 97B 35.883 13.117 -4.743 1.00 25.62 N ATOM 893 CA LEU A 97B 35.556 12.037 -5.682 1.00 26.06 C ATOM 894 C LEU A 97B 34.439 11.126 -5.159 1.00 24.11 C ATOM 895 O LEU A 97B 33.521 10.755 -5.892 1.00 22.35 O ATOM 896 CB LEU A 97B 36.797 11.186 -5.949 1.00 28.14 C ATOM 897 CG LEU A 97B 37.708 11.530 -7.132 1.00 30.86 C ATOM 898 CD1 LEU A 97B 37.933 13.021 -7.303 1.00 33.13 C ATOM 899 CD2 LEU A 97B 39.030 10.800 -6.978 1.00 30.77 C ATOM 900 H LEU A 97B 36.318 12.872 -3.831 1.00 0.00 H ATOM 901 N ALA A 98 34.539 10.764 -3.887 1.00 22.25 N ATOM 902 CA ALA A 98 33.755 9.679 -3.326 1.00 21.48 C ATOM 903 C ALA A 98 32.336 10.075 -2.970 1.00 21.14 C ATOM 904 O ALA A 98 32.066 11.224 -2.626 1.00 21.45 O ATOM 905 CB ALA A 98 34.440 9.147 -2.089 1.00 22.16 C ATOM 906 H ALA A 98 35.202 11.275 -3.270 1.00 0.00 H ATOM 907 N HIS A 99 31.434 9.107 -3.091 1.00 19.84 N ATOM 908 CA HIS A 99 30.105 9.192 -2.524 1.00 19.84 C ATOM 909 C HIS A 99 30.034 8.184 -1.378 1.00 19.59 C ATOM 910 O HIS A 99 30.335 7.011 -1.559 1.00 21.43 O ATOM 911 CB HIS A 99 29.034 8.908 -3.581 1.00 19.91 C ATOM 912 CG HIS A 99 29.045 9.880 -4.717 1.00 20.80 C ATOM 913 ND1 HIS A 99 28.045 10.802 -4.923 1.00 22.02 N ATOM 914 CD2 HIS A 99 29.968 10.109 -5.682 1.00 21.35 C ATOM 915 CE1 HIS A 99 28.325 11.528 -5.991 1.00 21.76 C ATOM 916 NE2 HIS A 99 29.491 11.133 -6.465 1.00 21.64 N ATOM 917 H HIS A 99 31.695 8.249 -3.617 1.00 0.00 H ATOM 918 N HIS A 100 29.670 8.663 -0.198 1.00 19.89 N ATOM 919 CA HIS A 100 29.603 7.850 1.004 1.00 20.17 C ATOM 920 C HIS A 100 28.152 7.508 1.316 1.00 19.76 C ATOM 921 O HIS A 100 27.260 8.330 1.090 1.00 19.64 O ATOM 922 CB HIS A 100 30.198 8.597 2.194 1.00 21.47 C ATOM 923 CG HIS A 100 31.611 9.024 1.983 1.00 23.61 C ATOM 924 ND1 HIS A 100 32.684 8.267 2.394 1.00 24.75 N ATOM 925 CD2 HIS A 100 32.129 10.113 1.372 1.00 25.23 C ATOM 926 CE1 HIS A 100 33.804 8.874 2.050 1.00 24.85 C ATOM 927 NE2 HIS A 100 33.495 9.998 1.434 1.00 25.76 N ATOM 928 H HIS A 100 29.420 9.670 -0.129 1.00 0.00 H ATOM 929 N ASN A 101 27.951 6.317 1.876 1.00 20.61 N ATOM 930 CA ASN A 101 26.628 5.807 2.272 1.00 20.55 C ATOM 931 C ASN A 101 25.628 5.940 1.145 1.00 20.28 C ATOM 932 O ASN A 101 24.496 6.383 1.340 1.00 19.94 O ATOM 933 CB ASN A 101 26.147 6.520 3.538 1.00 21.45 C ATOM 934 CG ASN A 101 27.095 6.316 4.699 1.00 22.75 C ATOM 935 OD1 ASN A 101 27.417 5.181 5.033 1.00 23.74 O ATOM 936 ND2 ASN A 101 27.585 7.405 5.290 1.00 23.55 N ATOM 937 HD22 ASN A 101 27.283 8.349 4.974 1.00 0.00 H ATOM 938 HD21 ASN A 101 28.269 7.311 6.068 1.00 0.00 H ATOM 939 H ASN A 101 28.779 5.710 2.044 1.00 0.00 H ATOM 940 N ASP A 102 26.052 5.526 -0.045 1.00 19.92 N ATOM 941 CA ASP A 102 25.290 5.800 -1.254 1.00 19.57 C ATOM 942 C ASP A 102 24.349 4.634 -1.509 1.00 19.21 C ATOM 943 O ASP A 102 24.615 3.742 -2.301 1.00 18.42 O ATOM 944 CB ASP A 102 26.231 6.024 -2.432 1.00 19.45 C ATOM 945 CG ASP A 102 25.538 6.688 -3.624 1.00 20.20 C ATOM 946 OD1 ASP A 102 24.384 7.168 -3.506 1.00 19.43 O ATOM 947 OD2 ASP A 102 26.175 6.741 -4.694 1.00 19.76 O ATOM 948 H ASP A 102 26.945 4.997 -0.113 1.00 0.00 H ATOM 949 N ILE A 103 23.236 4.649 -0.794 1.00 18.21 N ATOM 950 CA ILE A 103 22.347 3.518 -0.787 1.00 18.07 C ATOM 951 C ILE A 103 20.957 4.062 -0.491 1.00 17.32 C ATOM 952 O ILE A 103 20.807 5.001 0.294 1.00 16.06 O ATOM 953 CB ILE A 103 22.830 2.488 0.262 1.00 18.43 C ATOM 954 CG1 ILE A 103 21.996 1.218 0.230 1.00 19.62 C ATOM 955 CG2 ILE A 103 22.845 3.106 1.657 1.00 18.15 C ATOM 956 CD1 ILE A 103 22.646 0.068 0.979 1.00 19.69 C ATOM 957 H ILE A 103 23.001 5.490 -0.229 1.00 0.00 H ATOM 958 N ALA A 104 19.954 3.508 -1.161 1.00 16.78 N ATOM 959 CA ALA A 104 18.583 3.990 -1.000 1.00 16.89 C ATOM 960 C ALA A 104 17.617 2.844 -1.170 1.00 16.59 C ATOM 961 O ALA A 104 17.918 1.875 -1.830 1.00 15.93 O ATOM 962 CB ALA A 104 18.270 5.064 -2.020 1.00 16.96 C ATOM 963 H ALA A 104 20.146 2.719 -1.811 1.00 0.00 H ATOM 964 N LEU A 105 16.436 2.987 -0.588 1.00 17.42 N ATOM 965 CA LEU A 105 15.397 1.984 -0.690 1.00 17.99 C ATOM 966 C LEU A 105 14.136 2.617 -1.246 1.00 18.60 C ATOM 967 O LEU A 105 13.758 3.716 -0.857 1.00 18.50 O ATOM 968 CB LEU A 105 15.099 1.399 0.702 1.00 18.59 C ATOM 969 CG LEU A 105 16.159 0.463 1.262 1.00 18.66 C ATOM 970 CD1 LEU A 105 16.036 0.340 2.774 1.00 19.89 C ATOM 971 CD2 LEU A 105 16.071 -0.897 0.588 1.00 19.10 C ATOM 972 H LEU A 105 16.248 3.850 -0.039 1.00 0.00 H ATOM 973 N LEU A 106 13.484 1.913 -2.162 1.00 18.90 N ATOM 974 CA LEU A 106 12.228 2.364 -2.720 1.00 19.30 C ATOM 975 C LEU A 106 11.194 1.283 -2.455 1.00 18.95 C ATOM 976 O LEU A 106 11.333 0.146 -2.898 1.00 17.37 O ATOM 977 CB LEU A 106 12.369 2.616 -4.222 1.00 19.61 C ATOM 978 CG LEU A 106 13.269 3.771 -4.660 1.00 21.03 C ATOM 979 CD1 LEU A 106 14.736 3.387 -4.631 1.00 22.65 C ATOM 980 CD2 LEU A 106 12.916 4.265 -6.062 1.00 21.89 C ATOM 981 H LEU A 106 13.887 1.012 -2.488 1.00 0.00 H ATOM 982 N LYS A 107 10.153 1.616 -1.706 1.00 19.90 N ATOM 983 CA LYS A 107 9.060 0.668 -1.522 1.00 20.62 C ATOM 984 C LYS A 107 8.144 0.868 -2.708 1.00 19.54 C ATOM 985 O LYS A 107 7.716 1.996 -2.965 1.00 20.76 O ATOM 986 CB LYS A 107 8.308 0.929 -0.220 1.00 22.22 C ATOM 987 CG LYS A 107 7.384 -0.212 0.189 1.00 25.49 C ATOM 988 CD LYS A 107 6.711 0.086 1.527 1.00 28.76 C ATOM 989 CE LYS A 107 5.978 -1.123 2.075 1.00 31.96 C ATOM 990 NZ LYS A 107 4.788 -1.463 1.237 1.00 35.27 N ATOM 991 HZ1 LYS A 107 4.132 -0.656 1.224 1.00 0.00 H ATOM 992 HZ2 LYS A 107 5.098 -1.675 0.267 1.00 0.00 H ATOM 993 HZ3 LYS A 107 4.309 -2.294 1.639 1.00 0.00 H ATOM 994 H LYS A 107 10.115 2.550 -1.251 1.00 0.00 H ATOM 995 N ILE A 108 7.878 -0.207 -3.444 1.00 20.02 N ATOM 996 CA ILE A 108 7.161 -0.114 -4.723 1.00 19.77 C ATOM 997 C ILE A 108 5.757 -0.680 -4.576 1.00 20.81 C ATOM 998 O ILE A 108 5.508 -1.598 -3.795 1.00 20.53 O ATOM 999 CB ILE A 108 7.913 -0.817 -5.874 1.00 19.09 C ATOM 1000 CG1 ILE A 108 8.219 -2.278 -5.521 1.00 19.42 C ATOM 1001 CG2 ILE A 108 9.209 -0.061 -6.170 1.00 19.22 C ATOM 1002 CD1 ILE A 108 8.578 -3.163 -6.707 1.00 19.81 C ATOM 1003 H ILE A 108 8.186 -1.140 -3.105 1.00 0.00 H ATOM 1004 N ARG A 109 4.845 -0.124 -5.346 1.00 21.53 N ATOM 1005 CA ARG A 109 3.465 -0.502 -5.280 1.00 23.81 C ATOM 1006 C ARG A 109 2.845 -0.185 -6.638 1.00 23.41 C ATOM 1007 O ARG A 109 3.012 0.918 -7.142 1.00 22.94 O ATOM 1008 CB ARG A 109 2.793 0.309 -4.172 1.00 27.54 C ATOM 1009 CG ARG A 109 1.343 -0.001 -3.943 1.00 31.84 C ATOM 1010 CD ARG A 109 0.874 0.546 -2.601 1.00 35.86 C ATOM 1011 NE ARG A 109 0.500 1.962 -2.650 1.00 40.51 N ATOM 1012 CZ ARG A 109 -0.099 2.617 -1.650 1.00 42.54 C ATOM 1013 NH1 ARG A 109 -0.381 2.002 -0.507 1.00 45.98 N ATOM 1014 NH2 ARG A 109 -0.410 3.897 -1.791 1.00 44.02 N ATOM 1015 HE ARG A 109 0.714 2.492 -3.519 1.00 0.00 H ATOM 1016 HH12 ARG A 109 -0.847 2.523 0.263 1.00 0.00 H ATOM 1017 HH11 ARG A 109 -0.136 0.999 -0.382 1.00 0.00 H ATOM 1018 HH22 ARG A 109 -0.876 4.408 -1.014 1.00 0.00 H ATOM 1019 HH21 ARG A 109 -0.188 4.391 -2.679 1.00 0.00 H ATOM 1020 H ARG A 109 5.135 0.611 -6.022 1.00 0.00 H ATOM 1021 N SER A 110 2.159 -1.160 -7.226 1.00 23.23 N ATOM 1022 CA SER A 110 1.457 -0.939 -8.485 1.00 24.64 C ATOM 1023 C SER A 110 0.244 -0.048 -8.236 1.00 25.70 C ATOM 1024 O SER A 110 -0.110 0.242 -7.089 1.00 23.64 O ATOM 1025 CB SER A 110 1.010 -2.269 -9.107 1.00 25.68 C ATOM 1026 OG SER A 110 -0.084 -2.835 -8.395 1.00 26.16 O ATOM 1027 HG SER A 110 -0.347 -3.689 -8.821 1.00 0.00 H ATOM 1028 H SER A 110 2.122 -2.099 -6.780 1.00 0.00 H ATOM 1029 N LYS A 110A -0.411 0.371 -9.312 1.00 27.69 N ATOM 1030 CA LYS A 110A -1.625 1.183 -9.175 1.00 30.32 C ATOM 1031 C LYS A 110A -2.735 0.462 -8.405 1.00 28.93 C ATOM 1032 O LYS A 110A -3.526 1.108 -7.738 1.00 29.38 O ATOM 1033 CB LYS A 110A -2.134 1.648 -10.541 1.00 32.79 C ATOM 1034 CG LYS A 110A -1.516 2.961 -10.989 1.00 35.62 C ATOM 1035 CD LYS A 110A -1.688 3.162 -12.490 1.00 39.85 C ATOM 1036 CE LYS A 110A -1.488 4.612 -12.891 1.00 42.50 C ATOM 1037 NZ LYS A 110A -1.403 4.749 -14.373 1.00 44.26 N ATOM 1038 HZ1 LYS A 110A -0.600 4.191 -14.726 1.00 0.00 H ATOM 1039 HZ2 LYS A 110A -2.284 4.402 -14.803 1.00 0.00 H ATOM 1040 HZ3 LYS A 110A -1.266 5.750 -14.620 1.00 0.00 H ATOM 1041 H LYS A 110A -0.061 0.122 -10.259 1.00 0.00 H ATOM 1042 N GLU A 110B -2.769 -0.867 -8.493 1.00 30.18 N ATOM 1043 CA GLU A 110B -3.728 -1.699 -7.734 1.00 31.05 C ATOM 1044 C GLU A 110B -3.290 -1.963 -6.296 1.00 30.37 C ATOM 1045 O GLU A 110B -3.998 -2.621 -5.542 1.00 28.10 O ATOM 1046 CB GLU A 110B -3.950 -3.058 -8.415 1.00 33.20 C ATOM 1047 CG GLU A 110B -4.453 -2.983 -9.847 1.00 36.07 C ATOM 1048 CD GLU A 110B -3.328 -2.820 -10.857 1.00 38.77 C ATOM 1049 OE1 GLU A 110B -2.415 -2.025 -10.586 1.00 41.95 O ATOM 1050 OE2 GLU A 110B -3.344 -3.481 -11.918 1.00 44.03 O ATOM 1051 H GLU A 110B -2.091 -1.341 -9.124 1.00 0.00 H ATOM 1052 N GLY A 110C -2.109 -1.478 -5.932 1.00 28.97 N ATOM 1053 CA GLY A 110C -1.621 -1.581 -4.565 1.00 29.55 C ATOM 1054 C GLY A 110C -0.832 -2.845 -4.288 1.00 28.88 C ATOM 1055 O GLY A 110C -0.635 -3.202 -3.126 1.00 30.24 O ATOM 1056 H GLY A 110C -1.514 -1.010 -6.646 1.00 0.00 H ATOM 1057 N ARG A 110D -0.377 -3.523 -5.342 1.00 29.31 N ATOM 1058 CA ARG A 110D 0.316 -4.814 -5.194 1.00 30.73 C ATOM 1059 C ARG A 110D 1.830 -4.656 -5.328 1.00 28.71 C ATOM 1060 O ARG A 110D 2.302 -3.717 -5.947 1.00 26.40 O ATOM 1061 CB ARG A 110D -0.173 -5.818 -6.234 1.00 34.72 C ATOM 1062 CG ARG A 110D -1.523 -6.434 -5.906 1.00 40.50 C ATOM 1063 CD ARG A 110D -1.783 -7.690 -6.730 1.00 45.01 C ATOM 1064 NE ARG A 110D -2.151 -7.378 -8.111 1.00 50.12 N ATOM 1065 CZ ARG A 110D -3.344 -6.923 -8.503 1.00 51.96 C ATOM 1066 NH1 ARG A 110D -4.319 -6.699 -7.622 1.00 53.77 N ATOM 1067 NH2 ARG A 110D -3.559 -6.680 -9.792 1.00 54.05 N ATOM 1068 HE ARG A 110D -1.428 -7.522 -8.844 1.00 0.00 H ATOM 1069 HH12 ARG A 110D -5.241 -6.345 -7.946 1.00 0.00 H ATOM 1070 HH11 ARG A 110D -4.157 -6.879 -6.610 1.00 0.00 H ATOM 1071 HH22 ARG A 110D -4.485 -6.326 -10.107 1.00 0.00 H ATOM 1072 HH21 ARG A 110D -2.802 -6.844 -10.486 1.00 0.00 H ATOM 1073 H ARG A 110D -0.515 -3.129 -6.295 1.00 0.00 H ATOM 1074 N CYS A 111 2.571 -5.596 -4.745 1.00 27.87 N ATOM 1075 CA CYS A 111 4.028 -5.630 -4.859 1.00 27.70 C ATOM 1076 C CYS A 111 4.382 -6.505 -6.062 1.00 26.31 C ATOM 1077 O CYS A 111 3.499 -6.923 -6.814 1.00 27.21 O ATOM 1078 CB CYS A 111 4.637 -6.128 -3.538 1.00 29.17 C ATOM 1079 SG CYS A 111 4.441 -4.895 -2.213 1.00 32.94 S ATOM 1080 H CYS A 111 2.095 -6.334 -4.187 1.00 0.00 H ATOM 1081 N ALA A 112 5.666 -6.772 -6.275 1.00 26.31 N ATOM 1082 CA ALA A 112 6.083 -7.538 -7.451 1.00 25.69 C ATOM 1083 C ALA A 112 5.538 -8.961 -7.406 1.00 26.43 C ATOM 1084 O ALA A 112 5.531 -9.595 -6.347 1.00 28.06 O ATOM 1085 CB ALA A 112 7.598 -7.572 -7.557 1.00 25.15 C ATOM 1086 H ALA A 112 6.381 -6.434 -5.600 1.00 0.00 H ATOM 1087 N GLN A 113 5.097 -9.445 -8.561 1.00 29.11 N ATOM 1088 CA GLN A 113 4.686 -10.833 -8.755 1.00 31.63 C ATOM 1089 C GLN A 113 5.826 -11.574 -9.452 1.00 30.51 C ATOM 1090 O GLN A 113 6.131 -11.276 -10.607 1.00 28.28 O ATOM 1091 CB GLN A 113 3.426 -10.895 -9.624 1.00 35.19 C ATOM 1092 CG GLN A 113 2.868 -12.294 -9.873 1.00 39.50 C ATOM 1093 CD GLN A 113 1.847 -12.718 -8.826 1.00 42.72 C ATOM 1094 OE1 GLN A 113 0.650 -12.810 -9.110 1.00 45.61 O ATOM 1095 NE2 GLN A 113 2.313 -12.957 -7.609 1.00 45.21 N ATOM 1096 HE22 GLN A 113 3.331 -12.867 -7.415 1.00 0.00 H ATOM 1097 HE21 GLN A 113 1.661 -13.235 -6.848 1.00 0.00 H ATOM 1098 H GLN A 113 5.041 -8.799 -9.374 1.00 0.00 H ATOM 1099 N PRO A 114 6.452 -12.548 -8.764 1.00 28.77 N ATOM 1100 CA PRO A 114 7.580 -13.251 -9.369 1.00 29.28 C ATOM 1101 C PRO A 114 7.192 -13.978 -10.656 1.00 29.05 C ATOM 1102 O PRO A 114 6.064 -14.459 -10.802 1.00 27.96 O ATOM 1103 CB PRO A 114 8.012 -14.262 -8.288 1.00 30.50 C ATOM 1104 CG PRO A 114 7.395 -13.785 -7.021 1.00 31.07 C ATOM 1105 CD PRO A 114 6.153 -13.045 -7.409 1.00 30.48 C ATOM 1106 N SER A 115 8.125 -14.023 -11.589 1.00 26.83 N ATOM 1107 CA SER A 115 7.897 -14.660 -12.869 1.00 28.26 C ATOM 1108 C SER A 115 9.255 -14.971 -13.458 1.00 28.61 C ATOM 1109 O SER A 115 10.279 -14.793 -12.801 1.00 26.99 O ATOM 1110 CB SER A 115 7.117 -13.725 -13.791 1.00 28.65 C ATOM 1111 OG SER A 115 7.933 -12.647 -14.228 1.00 28.95 O ATOM 1112 HG SER A 115 7.407 -12.056 -14.823 1.00 0.00 H ATOM 1113 H SER A 115 9.050 -13.588 -11.399 1.00 0.00 H ATOM 1114 N ARG A 116 9.273 -15.427 -14.700 1.00 30.17 N ATOM 1115 CA ARG A 116 10.544 -15.689 -15.367 1.00 31.02 C ATOM 1116 C ARG A 116 11.394 -14.417 -15.522 1.00 28.30 C ATOM 1117 O ARG A 116 12.626 -14.488 -15.549 1.00 27.20 O ATOM 1118 CB ARG A 116 10.297 -16.334 -16.727 1.00 34.83 C ATOM 1119 CG ARG A 116 11.261 -17.459 -17.045 1.00 38.94 C ATOM 1120 CD ARG A 116 10.631 -18.440 -18.028 1.00 42.64 C ATOM 1121 NE ARG A 116 9.876 -17.737 -19.064 1.00 44.08 N ATOM 1122 CZ ARG A 116 10.426 -17.024 -20.043 1.00 47.42 C ATOM 1123 NH1 ARG A 116 11.745 -16.921 -20.140 1.00 48.37 N ATOM 1124 NH2 ARG A 116 9.653 -16.413 -20.935 1.00 49.54 N ATOM 1125 HE ARG A 116 8.838 -17.799 -19.033 1.00 0.00 H ATOM 1126 HH12 ARG A 116 12.168 -16.362 -20.908 1.00 0.00 H ATOM 1127 HH11 ARG A 116 12.356 -17.399 -19.448 1.00 0.00 H ATOM 1128 HH22 ARG A 116 10.083 -15.856 -21.700 1.00 0.00 H ATOM 1129 HH21 ARG A 116 8.618 -16.492 -20.867 1.00 0.00 H ATOM 1130 H ARG A 116 8.379 -15.599 -15.202 1.00 0.00 H ATOM 1131 N THR A 117 10.730 -13.264 -15.595 1.00 25.44 N ATOM 1132 CA THR A 117 11.398 -11.990 -15.836 1.00 23.90 C ATOM 1133 C THR A 117 11.423 -11.047 -14.649 1.00 22.46 C ATOM 1134 O THR A 117 11.923 -9.932 -14.768 1.00 21.74 O ATOM 1135 CB THR A 117 10.748 -11.272 -17.013 1.00 24.29 C ATOM 1136 OG1 THR A 117 9.330 -11.146 -16.775 1.00 24.91 O ATOM 1137 CG2 THR A 117 11.017 -12.056 -18.281 1.00 24.87 C ATOM 1138 HG1 THR A 117 8.908 -10.680 -17.540 1.00 0.00 H ATOM 1139 H THR A 117 9.697 -13.273 -15.476 1.00 0.00 H ATOM 1140 N ILE A 118 10.875 -11.487 -13.518 1.00 20.32 N ATOM 1141 CA ILE A 118 10.868 -10.696 -12.285 1.00 20.43 C ATOM 1142 C ILE A 118 11.176 -11.642 -11.112 1.00 21.25 C ATOM 1143 O ILE A 118 10.371 -12.495 -10.756 1.00 21.22 O ATOM 1144 CB ILE A 118 9.506 -9.997 -12.081 1.00 20.99 C ATOM 1145 CG1 ILE A 118 9.221 -9.033 -13.248 1.00 20.76 C ATOM 1146 CG2 ILE A 118 9.469 -9.263 -10.746 1.00 20.61 C ATOM 1147 CD1 ILE A 118 7.798 -8.529 -13.311 1.00 21.23 C ATOM 1148 H ILE A 118 10.435 -12.429 -13.510 1.00 0.00 H ATOM 1149 N GLN A 119 12.366 -11.508 -10.545 1.00 22.31 N ATOM 1150 CA GLN A 119 12.796 -12.332 -9.414 1.00 22.78 C ATOM 1151 C GLN A 119 13.538 -11.459 -8.413 1.00 22.58 C ATOM 1152 O GLN A 119 14.159 -10.479 -8.796 1.00 20.78 O ATOM 1153 CB GLN A 119 13.730 -13.437 -9.899 1.00 25.17 C ATOM 1154 CG GLN A 119 13.070 -14.499 -10.777 1.00 27.33 C ATOM 1155 CD GLN A 119 12.206 -15.460 -9.970 1.00 31.22 C ATOM 1156 OE1 GLN A 119 12.652 -16.002 -8.949 1.00 32.90 O ATOM 1157 NE2 GLN A 119 10.961 -15.667 -10.409 1.00 32.92 N ATOM 1158 HE22 GLN A 119 10.628 -15.191 -11.272 1.00 0.00 H ATOM 1159 HE21 GLN A 119 10.325 -16.304 -9.888 1.00 0.00 H ATOM 1160 H GLN A 119 13.020 -10.790 -10.918 1.00 0.00 H ATOM 1161 N THR A 120 13.504 -11.825 -7.135 1.00 21.60 N ATOM 1162 CA THR A 120 14.322 -11.130 -6.155 1.00 20.98 C ATOM 1163 C THR A 120 15.777 -11.606 -6.235 1.00 20.48 C ATOM 1164 O THR A 120 16.058 -12.716 -6.693 1.00 21.25 O ATOM 1165 CB THR A 120 13.817 -11.371 -4.722 1.00 22.18 C ATOM 1166 OG1 THR A 120 13.877 -12.773 -4.441 1.00 21.94 O ATOM 1167 CG2 THR A 120 12.387 -10.866 -4.559 1.00 22.57 C ATOM 1168 HG1 THR A 120 13.306 -13.262 -5.085 1.00 0.00 H ATOM 1169 H THR A 120 12.891 -12.610 -6.836 1.00 0.00 H ATOM 1170 N ILE A 121 16.693 -10.767 -5.775 1.00 19.77 N ATOM 1171 CA ILE A 121 18.093 -11.162 -5.601 1.00 20.33 C ATOM 1172 C ILE A 121 18.440 -11.224 -4.104 1.00 20.50 C ATOM 1173 O ILE A 121 18.046 -10.341 -3.330 1.00 21.03 O ATOM 1174 CB ILE A 121 19.060 -10.206 -6.332 1.00 20.49 C ATOM 1175 CG1 ILE A 121 20.480 -10.776 -6.254 1.00 20.99 C ATOM 1176 CG2 ILE A 121 18.983 -8.785 -5.783 1.00 20.42 C ATOM 1177 CD1 ILE A 121 21.474 -10.052 -7.096 1.00 21.91 C ATOM 1178 H ILE A 121 16.409 -9.797 -5.530 1.00 0.00 H ATOM 1179 N ALA A 122 19.182 -12.255 -3.713 1.00 21.01 N ATOM 1180 CA ALA A 122 19.589 -12.428 -2.332 1.00 22.71 C ATOM 1181 C ALA A 122 20.560 -11.341 -1.860 1.00 23.04 C ATOM 1182 O ALA A 122 21.400 -10.871 -2.627 1.00 23.68 O ATOM 1183 CB ALA A 122 20.221 -13.802 -2.152 1.00 22.96 C ATOM 1184 H ALA A 122 19.480 -12.959 -4.419 1.00 0.00 H ATOM 1185 N LEU A 123 20.433 -10.956 -0.592 1.00 23.97 N ATOM 1186 CA LEU A 123 21.417 -10.114 0.075 1.00 24.44 C ATOM 1187 C LEU A 123 22.514 -10.979 0.676 1.00 25.26 C ATOM 1188 O LEU A 123 22.265 -12.123 1.029 1.00 25.04 O ATOM 1189 CB LEU A 123 20.749 -9.326 1.199 1.00 26.25 C ATOM 1190 CG LEU A 123 19.719 -8.276 0.774 1.00 26.38 C ATOM 1191 CD1 LEU A 123 18.899 -7.807 1.963 1.00 28.02 C ATOM 1192 CD2 LEU A 123 20.409 -7.102 0.108 1.00 26.73 C ATOM 1193 H LEU A 123 19.598 -11.269 -0.056 1.00 0.00 H ATOM 1194 N PRO A 124 23.736 -10.434 0.807 1.00 25.55 N ATOM 1195 CA PRO A 124 24.810 -11.163 1.477 1.00 26.78 C ATOM 1196 C PRO A 124 24.576 -11.213 2.986 1.00 28.74 C ATOM 1197 O PRO A 124 23.720 -10.495 3.497 1.00 26.61 O ATOM 1198 CB PRO A 124 26.042 -10.316 1.166 1.00 26.66 C ATOM 1199 CG PRO A 124 25.508 -8.925 1.045 1.00 25.96 C ATOM 1200 CD PRO A 124 24.139 -9.071 0.440 1.00 25.14 C ATOM 1201 N SER A 125 25.335 -12.053 3.686 1.00 32.41 N ATOM 1202 CA SER A 125 25.375 -11.998 5.152 1.00 33.79 C ATOM 1203 C SER A 125 26.398 -10.936 5.583 1.00 35.70 C ATOM 1204 O SER A 125 27.205 -10.462 4.769 1.00 33.47 O ATOM 1205 CB SER A 125 25.707 -13.372 5.742 1.00 34.41 C ATOM 1206 OG SER A 125 26.973 -13.831 5.291 1.00 34.77 O ATOM 1207 HG SER A 125 27.161 -14.719 5.687 1.00 0.00 H ATOM 1208 H SER A 125 25.910 -12.761 3.185 1.00 0.00 H ATOM 1209 N MET A 126 26.362 -10.569 6.859 1.00 36.81 N ATOM 1210 CA MET A 126 27.170 -9.461 7.377 1.00 41.13 C ATOM 1211 C MET A 126 28.669 -9.640 7.129 1.00 41.60 C ATOM 1212 O MET A 126 29.248 -10.679 7.455 1.00 39.16 O ATOM 1213 CB MET A 126 26.881 -9.242 8.867 1.00 45.23 C ATOM 1214 CG MET A 126 25.451 -8.781 9.123 1.00 48.29 C ATOM 1215 SD MET A 126 25.139 -8.120 10.775 1.00 55.84 S ATOM 1216 CE MET A 126 26.154 -6.640 10.774 1.00 54.12 C ATOM 1217 H MET A 126 25.739 -11.085 7.513 1.00 0.00 H ATOM 1218 N TYR A 127 29.263 -8.621 6.508 1.00 42.73 N ATOM 1219 CA TYR A 127 30.705 -8.568 6.209 1.00 44.68 C ATOM 1220 C TYR A 127 31.215 -9.755 5.381 1.00 45.20 C ATOM 1221 O TYR A 127 32.391 -10.127 5.471 1.00 45.19 O ATOM 1222 CB TYR A 127 31.506 -8.429 7.514 1.00 46.63 C ATOM 1223 CG TYR A 127 31.009 -7.304 8.406 1.00 48.02 C ATOM 1224 CD1 TYR A 127 31.156 -5.971 8.025 1.00 49.37 C ATOM 1225 CD2 TYR A 127 30.388 -7.571 9.624 1.00 50.36 C ATOM 1226 CE1 TYR A 127 30.703 -4.936 8.828 1.00 49.70 C ATOM 1227 CE2 TYR A 127 29.931 -6.543 10.439 1.00 51.17 C ATOM 1228 CZ TYR A 127 30.091 -5.228 10.036 1.00 51.79 C ATOM 1229 OH TYR A 127 29.638 -4.206 10.838 1.00 53.10 O ATOM 1230 HH TYR A 127 28.662 -4.300 10.971 1.00 0.00 H ATOM 1231 H TYR A 127 28.673 -7.815 6.217 1.00 0.00 H ATOM 1232 N ASN A 128 30.331 -10.330 4.565 1.00 43.80 N ATOM 1233 CA ASN A 128 30.636 -11.536 3.804 1.00 43.44 C ATOM 1234 C ASN A 128 30.688 -11.262 2.291 1.00 42.28 C ATOM 1235 O ASN A 128 29.673 -11.319 1.598 1.00 37.86 O ATOM 1236 CB ASN A 128 29.601 -12.622 4.113 1.00 46.09 C ATOM 1237 CG ASN A 128 30.190 -14.024 4.113 1.00 49.49 C ATOM 1238 OD1 ASN A 128 29.759 -14.879 4.890 1.00 53.72 O ATOM 1239 ND2 ASN A 128 31.182 -14.271 3.259 1.00 50.25 N ATOM 1240 HD22 ASN A 128 31.517 -13.522 2.620 1.00 0.00 H ATOM 1241 HD21 ASN A 128 31.622 -15.213 3.231 1.00 0.00 H ATOM 1242 H ASN A 128 29.388 -9.902 4.468 1.00 0.00 H ATOM 1243 N ASP A 129 31.893 -10.998 1.795 1.00 42.06 N ATOM 1244 CA ASP A 129 32.119 -10.662 0.389 1.00 40.78 C ATOM 1245 C ASP A 129 33.017 -11.683 -0.274 1.00 40.45 C ATOM 1246 O ASP A 129 33.807 -12.343 0.398 1.00 41.18 O ATOM 1247 CB ASP A 129 32.794 -9.296 0.278 1.00 42.44 C ATOM 1248 CG ASP A 129 32.062 -8.227 1.051 1.00 44.30 C ATOM 1249 OD1 ASP A 129 30.886 -7.964 0.740 1.00 46.05 O ATOM 1250 OD2 ASP A 129 32.661 -7.651 1.980 1.00 47.98 O ATOM 1251 H ASP A 129 32.712 -11.032 2.435 1.00 0.00 H ATOM 1252 N PRO A 130 32.924 -11.807 -1.607 1.00 37.17 N ATOM 1253 CA PRO A 130 33.885 -12.674 -2.272 1.00 36.12 C ATOM 1254 C PRO A 130 35.313 -12.155 -2.064 1.00 35.97 C ATOM 1255 O PRO A 130 35.499 -11.015 -1.637 1.00 33.66 O ATOM 1256 CB PRO A 130 33.488 -12.592 -3.752 1.00 36.91 C ATOM 1257 CG PRO A 130 32.153 -11.938 -3.793 1.00 36.89 C ATOM 1258 CD PRO A 130 32.030 -11.120 -2.554 1.00 36.62 C ATOM 1259 N GLN A 131 36.296 -12.995 -2.363 1.00 36.31 N ATOM 1260 CA GLN A 131 37.701 -12.623 -2.233 1.00 38.01 C ATOM 1261 C GLN A 131 38.052 -11.705 -3.405 1.00 36.28 C ATOM 1262 O GLN A 131 37.438 -11.798 -4.472 1.00 32.72 O ATOM 1263 CB GLN A 131 38.614 -13.862 -2.273 1.00 41.16 C ATOM 1264 CG GLN A 131 38.203 -15.044 -1.389 1.00 43.75 C ATOM 1265 CD GLN A 131 38.524 -14.838 0.085 1.00 46.23 C ATOM 1266 OE1 GLN A 131 39.690 -14.780 0.480 1.00 47.72 O ATOM 1267 NE2 GLN A 131 37.491 -14.746 0.908 1.00 48.02 N ATOM 1268 HE22 GLN A 131 36.522 -14.800 0.534 1.00 0.00 H ATOM 1269 HE21 GLN A 131 37.649 -14.620 1.928 1.00 0.00 H ATOM 1270 H GLN A 131 36.057 -13.949 -2.701 1.00 0.00 H ATOM 1271 N PHE A 132 39.045 -10.837 -3.228 1.00 35.49 N ATOM 1272 CA PHE A 132 39.509 -10.025 -4.355 1.00 34.61 C ATOM 1273 C PHE A 132 39.966 -10.961 -5.477 1.00 31.91 C ATOM 1274 O PHE A 132 40.441 -12.063 -5.214 1.00 30.38 O ATOM 1275 CB PHE A 132 40.594 -9.011 -3.947 1.00 37.93 C ATOM 1276 CG PHE A 132 41.865 -9.629 -3.415 1.00 40.96 C ATOM 1277 CD1 PHE A 132 42.824 -10.152 -4.282 1.00 42.02 C ATOM 1278 CD2 PHE A 132 42.114 -9.659 -2.047 1.00 41.59 C ATOM 1279 CE1 PHE A 132 43.992 -10.714 -3.792 1.00 43.34 C ATOM 1280 CE2 PHE A 132 43.283 -10.217 -1.552 1.00 42.67 C ATOM 1281 CZ PHE A 132 44.221 -10.746 -2.425 1.00 43.97 C ATOM 1282 H PHE A 132 39.490 -10.736 -2.293 1.00 0.00 H ATOM 1283 N GLY A 133 39.774 -10.534 -6.722 1.00 29.52 N ATOM 1284 CA GLY A 133 40.051 -11.363 -7.888 1.00 30.19 C ATOM 1285 C GLY A 133 38.827 -12.086 -8.438 1.00 29.30 C ATOM 1286 O GLY A 133 38.824 -12.513 -9.586 1.00 30.36 O ATOM 1287 H GLY A 133 39.412 -9.570 -6.869 1.00 0.00 H ATOM 1288 N THR A 134 37.792 -12.235 -7.615 1.00 29.13 N ATOM 1289 CA THR A 134 36.534 -12.860 -8.038 1.00 28.88 C ATOM 1290 C THR A 134 35.833 -12.039 -9.109 1.00 27.13 C ATOM 1291 O THR A 134 35.776 -10.810 -9.018 1.00 26.29 O ATOM 1292 CB THR A 134 35.567 -12.990 -6.851 1.00 30.01 C ATOM 1293 OG1 THR A 134 36.123 -13.889 -5.891 1.00 33.58 O ATOM 1294 CG2 THR A 134 34.196 -13.507 -7.290 1.00 31.21 C ATOM 1295 HG1 THR A 134 36.993 -13.537 -5.576 1.00 0.00 H ATOM 1296 H THR A 134 37.878 -11.896 -6.636 1.00 0.00 H ATOM 1297 N SER A 135 35.284 -12.734 -10.104 1.00 25.70 N ATOM 1298 CA SER A 135 34.464 -12.121 -11.135 1.00 25.41 C ATOM 1299 C SER A 135 33.017 -11.922 -10.652 1.00 24.47 C ATOM 1300 O SER A 135 32.424 -12.812 -10.042 1.00 23.95 O ATOM 1301 CB SER A 135 34.461 -12.992 -12.383 1.00 27.44 C ATOM 1302 OG SER A 135 35.759 -13.055 -12.955 1.00 29.77 O ATOM 1303 HG SER A 135 35.735 -13.625 -13.764 1.00 0.00 H ATOM 1304 H SER A 135 35.450 -13.760 -10.145 1.00 0.00 H ATOM 1305 N CYS A 136 32.476 -10.740 -10.941 1.00 24.16 N ATOM 1306 CA CYS A 136 31.098 -10.386 -10.645 1.00 23.93 C ATOM 1307 C CYS A 136 30.500 -9.700 -11.857 1.00 22.60 C ATOM 1308 O CYS A 136 31.225 -9.190 -12.715 1.00 21.93 O ATOM 1309 CB CYS A 136 31.054 -9.465 -9.425 1.00 25.16 C ATOM 1310 SG CYS A 136 31.762 -10.236 -7.950 1.00 27.39 S ATOM 1311 H CYS A 136 33.075 -10.028 -11.406 1.00 0.00 H ATOM 1312 N GLU A 137 29.176 -9.699 -11.953 1.00 22.73 N ATOM 1313 CA GLU A 137 28.525 -9.043 -13.092 1.00 22.80 C ATOM 1314 C GLU A 137 27.890 -7.716 -12.694 1.00 21.41 C ATOM 1315 O GLU A 137 27.437 -7.545 -11.571 1.00 19.83 O ATOM 1316 CB GLU A 137 27.511 -9.966 -13.773 1.00 24.94 C ATOM 1317 CG GLU A 137 26.302 -10.331 -12.938 1.00 26.90 C ATOM 1318 CD GLU A 137 25.260 -11.141 -13.690 1.00 28.18 C ATOM 1319 OE1 GLU A 137 25.277 -11.202 -14.942 1.00 30.53 O ATOM 1320 OE2 GLU A 137 24.396 -11.716 -13.013 1.00 30.54 O ATOM 1321 H GLU A 137 28.601 -10.163 -11.221 1.00 0.00 H ATOM 1322 N ILE A 138 27.883 -6.774 -13.630 1.00 21.02 N ATOM 1323 CA ILE A 138 27.137 -5.517 -13.471 1.00 20.68 C ATOM 1324 C ILE A 138 26.144 -5.385 -14.632 1.00 20.50 C ATOM 1325 O ILE A 138 26.388 -5.892 -15.717 1.00 18.73 O ATOM 1326 CB ILE A 138 28.075 -4.290 -13.360 1.00 22.28 C ATOM 1327 CG1 ILE A 138 28.928 -4.119 -14.612 1.00 23.88 C ATOM 1328 CG2 ILE A 138 28.987 -4.439 -12.159 1.00 22.46 C ATOM 1329 CD1 ILE A 138 30.130 -3.199 -14.448 1.00 24.44 C ATOM 1330 H ILE A 138 28.423 -6.931 -14.505 1.00 0.00 H ATOM 1331 N THR A 139 25.022 -4.725 -14.377 1.00 20.34 N ATOM 1332 CA THR A 139 23.916 -4.618 -15.344 1.00 20.72 C ATOM 1333 C THR A 139 23.433 -3.183 -15.394 1.00 18.87 C ATOM 1334 O THR A 139 23.328 -2.525 -14.369 1.00 17.65 O ATOM 1335 CB THR A 139 22.717 -5.510 -14.949 1.00 22.79 C ATOM 1336 OG1 THR A 139 23.174 -6.831 -14.686 1.00 26.18 O ATOM 1337 CG2 THR A 139 21.680 -5.575 -16.100 1.00 23.94 C ATOM 1338 HG1 THR A 139 22.405 -7.401 -14.433 1.00 0.00 H ATOM 1339 H THR A 139 24.918 -4.262 -13.452 1.00 0.00 H ATOM 1340 N GLY A 140 23.106 -2.687 -16.574 1.00 17.63 N ATOM 1341 CA GLY A 140 22.534 -1.343 -16.643 1.00 17.36 C ATOM 1342 C GLY A 140 22.229 -0.829 -18.032 1.00 17.00 C ATOM 1343 O GLY A 140 22.633 -1.438 -19.020 1.00 16.64 O ATOM 1344 H GLY A 140 23.253 -3.244 -17.440 1.00 0.00 H ATOM 1345 N PHE A 141 21.477 0.274 -18.065 1.00 17.89 N ATOM 1346 CA PHE A 141 21.206 1.060 -19.273 1.00 18.09 C ATOM 1347 C PHE A 141 22.130 2.281 -19.404 1.00 19.60 C ATOM 1348 O PHE A 141 21.809 3.224 -20.132 1.00 20.99 O ATOM 1349 CB PHE A 141 19.770 1.593 -19.253 1.00 18.38 C ATOM 1350 CG PHE A 141 18.704 0.565 -19.451 1.00 18.01 C ATOM 1351 CD1 PHE A 141 18.478 -0.010 -20.705 1.00 17.95 C ATOM 1352 CD2 PHE A 141 17.853 0.226 -18.407 1.00 18.68 C ATOM 1353 CE1 PHE A 141 17.475 -0.935 -20.881 1.00 18.01 C ATOM 1354 CE2 PHE A 141 16.833 -0.692 -18.586 1.00 18.65 C ATOM 1355 CZ PHE A 141 16.652 -1.280 -19.828 1.00 18.66 C ATOM 1356 H PHE A 141 21.054 0.598 -17.172 1.00 0.00 H ATOM 1357 N GLY A 142 23.283 2.288 -18.741 1.00 19.37 N ATOM 1358 CA GLY A 142 24.160 3.464 -18.780 1.00 19.85 C ATOM 1359 C GLY A 142 24.906 3.651 -20.094 1.00 19.53 C ATOM 1360 O GLY A 142 24.817 2.832 -21.003 1.00 20.38 O ATOM 1361 H GLY A 142 23.566 1.452 -18.190 1.00 0.00 H ATOM 1362 N LYS A 143 25.674 4.727 -20.159 1.00 20.02 N ATOM 1363 CA LYS A 143 26.426 5.073 -21.358 1.00 21.06 C ATOM 1364 C LYS A 143 27.297 3.926 -21.843 1.00 21.81 C ATOM 1365 O LYS A 143 27.844 3.168 -21.038 1.00 19.99 O ATOM 1366 CB LYS A 143 27.313 6.285 -21.086 1.00 22.23 C ATOM 1367 CG LYS A 143 26.566 7.557 -20.771 1.00 23.84 C ATOM 1368 CD LYS A 143 27.537 8.715 -20.656 1.00 25.56 C ATOM 1369 CE LYS A 143 26.822 10.026 -20.402 1.00 27.40 C ATOM 1370 NZ LYS A 143 27.766 11.176 -20.534 1.00 28.48 N ATOM 1371 HZ1 LYS A 143 28.536 11.072 -19.842 1.00 0.00 H ATOM 1372 HZ2 LYS A 143 28.162 11.189 -21.496 1.00 0.00 H ATOM 1373 HZ3 LYS A 143 27.255 12.064 -20.356 1.00 0.00 H ATOM 1374 H LYS A 143 25.743 5.346 -19.326 1.00 0.00 H ATOM 1375 N GLU A 144 27.398 3.794 -23.170 1.00 21.76 N ATOM 1376 CA GLU A 144 28.301 2.832 -23.790 1.00 23.19 C ATOM 1377 C GLU A 144 29.681 3.432 -24.051 1.00 23.47 C ATOM 1378 O GLU A 144 30.631 2.705 -24.321 1.00 23.73 O ATOM 1379 CB GLU A 144 27.737 2.361 -25.126 1.00 23.67 C ATOM 1380 CG GLU A 144 26.417 1.622 -25.033 1.00 24.13 C ATOM 1381 CD GLU A 144 26.168 0.765 -26.247 1.00 26.28 C ATOM 1382 OE1 GLU A 144 26.753 -0.340 -26.317 1.00 26.22 O ATOM 1383 OE2 GLU A 144 25.386 1.191 -27.134 1.00 28.94 O ATOM 1384 H GLU A 144 26.812 4.398 -23.781 1.00 0.00 H ATOM 1385 N GLN A 145 29.772 4.754 -24.013 1.00 24.40 N ATOM 1386 CA GLN A 145 31.042 5.473 -24.134 1.00 25.88 C ATOM 1387 C GLN A 145 30.935 6.749 -23.327 1.00 25.50 C ATOM 1388 O GLN A 145 29.856 7.340 -23.236 1.00 23.47 O ATOM 1389 CB GLN A 145 31.355 5.856 -25.586 1.00 27.63 C ATOM 1390 CG GLN A 145 31.410 4.701 -26.578 1.00 30.65 C ATOM 1391 CD GLN A 145 32.625 3.800 -26.422 1.00 35.06 C ATOM 1392 OE1 GLN A 145 33.549 4.084 -25.650 1.00 37.48 O ATOM 1393 NE2 GLN A 145 32.625 2.690 -27.159 1.00 38.55 N ATOM 1394 HE22 GLN A 145 31.828 2.489 -27.796 1.00 0.00 H ATOM 1395 HE21 GLN A 145 33.422 2.025 -27.097 1.00 0.00 H ATOM 1396 H GLN A 145 28.900 5.307 -23.891 1.00 0.00 H ATOM 1397 N SER A 146 32.065 7.197 -22.788 1.00 26.86 N ATOM 1398 CA SER A 146 32.100 8.417 -21.968 1.00 29.03 C ATOM 1399 C SER A 146 31.610 9.658 -22.716 1.00 28.68 C ATOM 1400 O SER A 146 31.054 10.586 -22.116 1.00 30.27 O ATOM 1401 CB SER A 146 33.510 8.664 -21.418 1.00 31.33 C ATOM 1402 OG SER A 146 33.583 8.260 -20.070 1.00 34.78 O ATOM 1403 HG SER A 146 34.497 8.424 -19.727 1.00 0.00 H ATOM 1404 H SER A 146 32.947 6.671 -22.951 1.00 0.00 H ATOM 1405 N THR A 147 31.813 9.664 -24.023 1.00 26.45 N ATOM 1406 CA THR A 147 31.406 10.775 -24.860 1.00 27.63 C ATOM 1407 C THR A 147 29.937 10.731 -25.307 1.00 27.86 C ATOM 1408 O THR A 147 29.450 11.704 -25.879 1.00 30.66 O ATOM 1409 CB THR A 147 32.308 10.860 -26.101 1.00 28.52 C ATOM 1410 OG1 THR A 147 32.382 9.572 -26.722 1.00 29.93 O ATOM 1411 CG2 THR A 147 33.691 11.282 -25.702 1.00 29.08 C ATOM 1412 HG1 THR A 147 31.474 9.284 -26.991 1.00 0.00 H ATOM 1413 H THR A 147 32.279 8.846 -24.464 1.00 0.00 H ATOM 1414 N ASP A 148 29.241 9.622 -25.067 1.00 25.94 N ATOM 1415 CA ASP A 148 27.807 9.544 -25.369 1.00 26.64 C ATOM 1416 C ASP A 148 27.027 10.470 -24.449 1.00 25.44 C ATOM 1417 O ASP A 148 27.397 10.648 -23.297 1.00 26.72 O ATOM 1418 CB ASP A 148 27.278 8.115 -25.190 1.00 27.99 C ATOM 1419 CG ASP A 148 27.729 7.171 -26.298 1.00 31.27 C ATOM 1420 OD1 ASP A 148 28.110 7.653 -27.385 1.00 36.01 O ATOM 1421 OD2 ASP A 148 27.711 5.944 -26.075 1.00 33.77 O ATOM 1422 H ASP A 148 29.722 8.796 -24.658 1.00 0.00 H ATOM 1423 N TYR A 149 25.945 11.047 -24.959 1.00 23.54 N ATOM 1424 CA TYR A 149 24.994 11.790 -24.124 1.00 23.59 C ATOM 1425 C TYR A 149 23.653 11.053 -24.039 1.00 24.01 C ATOM 1426 O TYR A 149 22.757 11.464 -23.302 1.00 25.95 O ATOM 1427 CB TYR A 149 24.780 13.204 -24.665 1.00 23.99 C ATOM 1428 CG TYR A 149 24.135 13.247 -26.029 1.00 23.42 C ATOM 1429 CD1 TYR A 149 24.897 13.118 -27.183 1.00 24.21 C ATOM 1430 CD2 TYR A 149 22.762 13.394 -26.159 1.00 24.48 C ATOM 1431 CE1 TYR A 149 24.307 13.136 -28.436 1.00 24.30 C ATOM 1432 CE2 TYR A 149 22.159 13.420 -27.407 1.00 25.17 C ATOM 1433 CZ TYR A 149 22.945 13.291 -28.541 1.00 25.40 C ATOM 1434 OH TYR A 149 22.363 13.307 -29.771 1.00 25.70 O ATOM 1435 HH TYR A 149 23.060 13.204 -30.466 1.00 0.00 H ATOM 1436 H TYR A 149 25.766 10.970 -25.981 1.00 0.00 H ATOM 1437 N LEU A 150 23.502 10.013 -24.852 1.00 24.12 N ATOM 1438 CA LEU A 150 22.308 9.173 -24.866 1.00 24.91 C ATOM 1439 C LEU A 150 22.632 7.819 -24.277 1.00 23.50 C ATOM 1440 O LEU A 150 23.763 7.362 -24.354 1.00 24.97 O ATOM 1441 CB LEU A 150 21.815 8.963 -26.295 1.00 26.50 C ATOM 1442 CG LEU A 150 21.356 10.223 -27.026 1.00 28.33 C ATOM 1443 CD1 LEU A 150 20.905 9.887 -28.446 1.00 29.97 C ATOM 1444 CD2 LEU A 150 20.256 10.927 -26.257 1.00 28.04 C ATOM 1445 H LEU A 150 24.273 9.786 -25.512 1.00 0.00 H ATOM 1446 N TYR A 151 21.626 7.185 -23.690 1.00 22.86 N ATOM 1447 CA TYR A 151 21.755 5.826 -23.180 1.00 22.14 C ATOM 1448 C TYR A 151 21.309 4.823 -24.236 1.00 21.56 C ATOM 1449 O TYR A 151 20.436 5.139 -25.057 1.00 21.75 O ATOM 1450 CB TYR A 151 20.901 5.631 -21.918 1.00 22.00 C ATOM 1451 CG TYR A 151 21.292 6.489 -20.729 1.00 22.62 C ATOM 1452 CD1 TYR A 151 22.626 6.828 -20.474 1.00 23.00 C ATOM 1453 CD2 TYR A 151 20.322 6.988 -19.874 1.00 23.22 C ATOM 1454 CE1 TYR A 151 22.962 7.629 -19.401 1.00 23.33 C ATOM 1455 CE2 TYR A 151 20.656 7.784 -18.800 1.00 24.33 C ATOM 1456 CZ TYR A 151 21.975 8.094 -18.564 1.00 23.43 C ATOM 1457 OH TYR A 151 22.273 8.895 -17.496 1.00 23.40 O ATOM 1458 HH TYR A 151 23.252 9.032 -17.451 1.00 0.00 H ATOM 1459 H TYR A 151 20.714 7.674 -23.590 1.00 0.00 H ATOM 1460 N PRO A 152 21.868 3.604 -24.196 1.00 21.59 N ATOM 1461 CA PRO A 152 21.433 2.553 -25.105 1.00 22.59 C ATOM 1462 C PRO A 152 19.998 2.124 -24.820 1.00 23.27 C ATOM 1463 O PRO A 152 19.572 2.129 -23.652 1.00 22.18 O ATOM 1464 CB PRO A 152 22.386 1.410 -24.783 1.00 23.27 C ATOM 1465 CG PRO A 152 22.706 1.603 -23.348 1.00 23.15 C ATOM 1466 CD PRO A 152 22.840 3.093 -23.215 1.00 22.40 C ATOM 1467 N GLU A 153 19.264 1.757 -25.870 1.00 23.72 N ATOM 1468 CA GLU A 153 17.902 1.255 -25.703 1.00 25.31 C ATOM 1469 C GLU A 153 17.850 -0.134 -25.082 1.00 24.07 C ATOM 1470 O GLU A 153 16.872 -0.461 -24.422 1.00 24.59 O ATOM 1471 CB GLU A 153 17.151 1.244 -27.037 1.00 29.41 C ATOM 1472 CG GLU A 153 16.496 2.573 -27.359 1.00 33.09 C ATOM 1473 CD GLU A 153 15.438 2.954 -26.341 1.00 34.24 C ATOM 1474 OE1 GLU A 153 14.507 2.146 -26.113 1.00 38.29 O ATOM 1475 OE2 GLU A 153 15.543 4.059 -25.768 1.00 37.45 O ATOM 1476 H GLU A 153 19.668 1.829 -26.826 1.00 0.00 H ATOM 1477 N GLN A 154 18.879 -0.944 -25.309 1.00 21.82 N ATOM 1478 CA GLN A 154 18.899 -2.327 -24.843 1.00 22.50 C ATOM 1479 C GLN A 154 19.753 -2.462 -23.591 1.00 20.86 C ATOM 1480 O GLN A 154 20.836 -1.888 -23.494 1.00 20.01 O ATOM 1481 CB GLN A 154 19.453 -3.264 -25.929 1.00 23.74 C ATOM 1482 CG GLN A 154 19.318 -4.752 -25.599 1.00 23.73 C ATOM 1483 CD GLN A 154 17.871 -5.243 -25.689 1.00 24.80 C ATOM 1484 OE1 GLN A 154 17.118 -4.794 -26.540 1.00 28.19 O ATOM 1485 NE2 GLN A 154 17.489 -6.162 -24.821 1.00 25.76 N ATOM 1486 HE22 GLN A 154 18.161 -6.519 -24.112 1.00 0.00 H ATOM 1487 HE21 GLN A 154 16.516 -6.529 -24.847 1.00 0.00 H ATOM 1488 H GLN A 154 19.698 -0.580 -25.837 1.00 0.00 H ATOM 1489 N LEU A 155 19.248 -3.228 -22.637 1.00 20.91 N ATOM 1490 CA LEU A 155 19.973 -3.509 -21.407 1.00 20.05 C ATOM 1491 C LEU A 155 21.331 -4.182 -21.708 1.00 19.50 C ATOM 1492 O LEU A 155 21.436 -5.029 -22.609 1.00 18.66 O ATOM 1493 CB LEU A 155 19.117 -4.410 -20.521 1.00 20.35 C ATOM 1494 CG LEU A 155 19.597 -4.665 -19.100 1.00 20.91 C ATOM 1495 CD1 LEU A 155 19.519 -3.381 -18.284 1.00 21.83 C ATOM 1496 CD2 LEU A 155 18.754 -5.759 -18.460 1.00 21.62 C ATOM 1497 H LEU A 155 18.303 -3.642 -22.771 1.00 0.00 H ATOM 1498 N LYS A 156 22.362 -3.782 -20.962 1.00 18.62 N ATOM 1499 CA LYS A 156 23.667 -4.389 -21.064 1.00 19.22 C ATOM 1500 C LYS A 156 24.119 -5.032 -19.758 1.00 20.70 C ATOM 1501 O LYS A 156 23.631 -4.688 -18.664 1.00 19.19 O ATOM 1502 CB LYS A 156 24.704 -3.351 -21.505 1.00 19.46 C ATOM 1503 CG LYS A 156 24.458 -2.776 -22.889 1.00 19.27 C ATOM 1504 CD LYS A 156 25.570 -1.846 -23.364 1.00 19.49 C ATOM 1505 CE LYS A 156 26.830 -2.606 -23.697 1.00 19.60 C ATOM 1506 NZ LYS A 156 27.954 -1.739 -24.141 1.00 19.87 N ATOM 1507 HZ1 LYS A 156 27.672 -1.218 -24.996 1.00 0.00 H ATOM 1508 HZ2 LYS A 156 28.190 -1.065 -23.385 1.00 0.00 H ATOM 1509 HZ3 LYS A 156 28.784 -2.330 -24.352 1.00 0.00 H ATOM 1510 H LYS A 156 22.220 -3.006 -20.284 1.00 0.00 H ATOM 1511 N MET A 157 25.069 -5.960 -19.889 1.00 20.95 N ATOM 1512 CA MET A 157 25.801 -6.500 -18.757 1.00 20.93 C ATOM 1513 C MET A 157 27.275 -6.602 -19.113 1.00 21.02 C ATOM 1514 O MET A 157 27.649 -6.599 -20.293 1.00 19.44 O ATOM 1515 CB MET A 157 25.242 -7.866 -18.312 1.00 23.12 C ATOM 1516 CG MET A 157 25.423 -9.019 -19.295 1.00 24.49 C ATOM 1517 SD MET A 157 27.050 -9.810 -19.210 1.00 29.94 S ATOM 1518 CE MET A 157 26.895 -10.827 -17.747 1.00 28.85 C ATOM 1519 H MET A 157 25.295 -6.311 -20.842 1.00 0.00 H ATOM 1520 N THR A 158 28.109 -6.638 -18.087 1.00 20.51 N ATOM 1521 CA THR A 158 29.497 -7.015 -18.250 1.00 20.84 C ATOM 1522 C THR A 158 29.966 -7.700 -16.979 1.00 22.26 C ATOM 1523 O THR A 158 29.215 -7.807 -16.004 1.00 22.21 O ATOM 1524 CB THR A 158 30.392 -5.809 -18.603 1.00 21.87 C ATOM 1525 OG1 THR A 158 31.651 -6.278 -19.119 1.00 21.72 O ATOM 1526 CG2 THR A 158 30.623 -4.911 -17.397 1.00 22.42 C ATOM 1527 HG1 THR A 158 32.223 -5.502 -19.345 1.00 0.00 H ATOM 1528 H THR A 158 27.759 -6.389 -17.140 1.00 0.00 H ATOM 1529 N VAL A 159 31.208 -8.173 -17.008 1.00 21.35 N ATOM 1530 CA VAL A 159 31.795 -8.911 -15.914 1.00 22.39 C ATOM 1531 C VAL A 159 33.094 -8.209 -15.560 1.00 22.49 C ATOM 1532 O VAL A 159 33.928 -7.948 -16.430 1.00 22.38 O ATOM 1533 CB VAL A 159 32.092 -10.383 -16.299 1.00 22.85 C ATOM 1534 CG1 VAL A 159 32.843 -11.104 -15.191 1.00 23.18 C ATOM 1535 CG2 VAL A 159 30.814 -11.136 -16.631 1.00 23.43 C ATOM 1536 H VAL A 159 31.784 -8.004 -17.858 1.00 0.00 H ATOM 1537 N VAL A 160 33.256 -7.904 -14.280 1.00 20.98 N ATOM 1538 CA VAL A 160 34.449 -7.221 -13.801 1.00 21.34 C ATOM 1539 C VAL A 160 34.992 -8.005 -12.622 1.00 21.73 C ATOM 1540 O VAL A 160 34.313 -8.885 -12.093 1.00 22.46 O ATOM 1541 CB VAL A 160 34.177 -5.757 -13.395 1.00 21.22 C ATOM 1542 CG1 VAL A 160 33.917 -4.895 -14.627 1.00 20.65 C ATOM 1543 CG2 VAL A 160 33.028 -5.665 -12.400 1.00 20.46 C ATOM 1544 H VAL A 160 32.511 -8.159 -13.600 1.00 0.00 H ATOM 1545 N LYS A 161 36.218 -7.690 -12.229 1.00 21.72 N ATOM 1546 CA LYS A 161 36.868 -8.383 -11.128 1.00 22.47 C ATOM 1547 C LYS A 161 37.025 -7.478 -9.914 1.00 21.40 C ATOM 1548 O LYS A 161 37.357 -6.300 -10.033 1.00 20.53 O ATOM 1549 CB LYS A 161 38.220 -8.925 -11.572 1.00 25.05 C ATOM 1550 CG LYS A 161 38.092 -9.850 -12.771 1.00 28.92 C ATOM 1551 CD LYS A 161 39.260 -10.816 -12.879 1.00 32.49 C ATOM 1552 CE LYS A 161 38.969 -11.923 -13.874 1.00 35.99 C ATOM 1553 NZ LYS A 161 39.913 -13.058 -13.702 1.00 38.94 N ATOM 1554 HZ1 LYS A 161 40.886 -12.723 -13.851 1.00 0.00 H ATOM 1555 HZ2 LYS A 161 39.820 -13.442 -12.740 1.00 0.00 H ATOM 1556 HZ3 LYS A 161 39.691 -13.800 -14.395 1.00 0.00 H ATOM 1557 H LYS A 161 36.728 -6.928 -12.720 1.00 0.00 H ATOM 1558 N LEU A 162 36.769 -8.041 -8.741 1.00 20.90 N ATOM 1559 CA LEU A 162 36.857 -7.291 -7.506 1.00 21.77 C ATOM 1560 C LEU A 162 38.314 -6.959 -7.218 1.00 22.71 C ATOM 1561 O LEU A 162 39.205 -7.764 -7.487 1.00 21.64 O ATOM 1562 CB LEU A 162 36.264 -8.087 -6.349 1.00 22.52 C ATOM 1563 CG LEU A 162 34.765 -8.407 -6.417 1.00 23.36 C ATOM 1564 CD1 LEU A 162 34.302 -8.964 -5.085 1.00 23.65 C ATOM 1565 CD2 LEU A 162 33.947 -7.191 -6.780 1.00 24.75 C ATOM 1566 H LEU A 162 36.499 -9.045 -8.708 1.00 0.00 H ATOM 1567 N ILE A 163 38.530 -5.761 -6.688 1.00 23.28 N ATOM 1568 CA ILE A 163 39.857 -5.228 -6.431 1.00 24.18 C ATOM 1569 C ILE A 163 39.986 -4.990 -4.934 1.00 23.51 C ATOM 1570 O ILE A 163 39.062 -4.507 -4.309 1.00 21.88 O ATOM 1571 CB ILE A 163 40.049 -3.926 -7.237 1.00 25.40 C ATOM 1572 CG1 ILE A 163 40.330 -4.294 -8.692 1.00 26.47 C ATOM 1573 CG2 ILE A 163 41.162 -3.063 -6.658 1.00 26.46 C ATOM 1574 CD1 ILE A 163 40.097 -3.162 -9.656 1.00 27.65 C ATOM 1575 H ILE A 163 37.707 -5.174 -6.444 1.00 0.00 H ATOM 1576 N SER A 164 41.141 -5.320 -4.357 1.00 23.20 N ATOM 1577 CA SER A 164 41.313 -5.177 -2.911 1.00 23.42 C ATOM 1578 C SER A 164 41.240 -3.713 -2.488 1.00 24.20 C ATOM 1579 O SER A 164 41.483 -2.815 -3.281 1.00 24.10 O ATOM 1580 CB SER A 164 42.649 -5.776 -2.457 1.00 23.28 C ATOM 1581 OG SER A 164 43.706 -4.979 -2.933 1.00 21.88 O ATOM 1582 HG SER A 164 43.615 -4.062 -2.571 1.00 0.00 H ATOM 1583 H SER A 164 41.925 -5.681 -4.938 1.00 0.00 H ATOM 1584 N HIS A 165 40.895 -3.479 -1.227 1.00 25.35 N ATOM 1585 CA HIS A 165 40.921 -2.131 -0.665 1.00 27.42 C ATOM 1586 C HIS A 165 42.347 -1.582 -0.716 1.00 27.29 C ATOM 1587 O HIS A 165 42.562 -0.419 -1.017 1.00 27.25 O ATOM 1588 CB HIS A 165 40.404 -2.146 0.771 1.00 30.11 C ATOM 1589 CG HIS A 165 40.251 -0.786 1.372 1.00 34.61 C ATOM 1590 ND1 HIS A 165 41.016 -0.351 2.435 1.00 37.53 N ATOM 1591 CD2 HIS A 165 39.426 0.242 1.059 1.00 37.12 C ATOM 1592 CE1 HIS A 165 40.663 0.882 2.755 1.00 37.21 C ATOM 1593 NE2 HIS A 165 39.702 1.265 1.935 1.00 39.12 N ATOM 1594 H HIS A 165 40.599 -4.274 -0.626 1.00 0.00 H ATOM 1595 N ARG A 166 43.317 -2.456 -0.478 1.00 27.38 N ATOM 1596 CA ARG A 166 44.722 -2.071 -0.469 1.00 29.31 C ATOM 1597 C ARG A 166 45.168 -1.531 -1.829 1.00 25.68 C ATOM 1598 O ARG A 166 45.866 -0.525 -1.910 1.00 24.93 O ATOM 1599 CB ARG A 166 45.588 -3.251 -0.040 1.00 32.07 C ATOM 1600 CG ARG A 166 45.221 -3.808 1.336 1.00 36.22 C ATOM 1601 CD ARG A 166 44.208 -4.959 1.282 1.00 38.48 C ATOM 1602 NE ARG A 166 42.877 -4.632 1.786 1.00 40.67 N ATOM 1603 CZ ARG A 166 41.876 -5.502 1.890 1.00 42.45 C ATOM 1604 NH1 ARG A 166 42.032 -6.764 1.513 1.00 45.12 N ATOM 1605 NH2 ARG A 166 40.701 -5.109 2.365 1.00 45.41 N ATOM 1606 HE ARG A 166 42.699 -3.652 2.084 1.00 0.00 H ATOM 1607 HH12 ARG A 166 41.241 -7.434 1.600 1.00 0.00 H ATOM 1608 HH11 ARG A 166 42.945 -7.083 1.131 1.00 0.00 H ATOM 1609 HH22 ARG A 166 39.919 -5.790 2.446 1.00 0.00 H ATOM 1610 HH21 ARG A 166 40.562 -4.120 2.656 1.00 0.00 H ATOM 1611 H ARG A 166 43.066 -3.448 -0.292 1.00 0.00 H ATOM 1612 N GLU A 167 44.731 -2.188 -2.894 1.00 25.28 N ATOM 1613 CA GLU A 167 45.023 -1.734 -4.245 1.00 24.10 C ATOM 1614 C GLU A 167 44.255 -0.455 -4.583 1.00 22.98 C ATOM 1615 O GLU A 167 44.808 0.483 -5.160 1.00 22.07 O ATOM 1616 CB GLU A 167 44.683 -2.839 -5.252 1.00 25.84 C ATOM 1617 CG GLU A 167 44.850 -2.429 -6.702 1.00 26.54 C ATOM 1618 CD GLU A 167 44.648 -3.567 -7.682 1.00 26.62 C ATOM 1619 OE1 GLU A 167 44.714 -4.743 -7.277 1.00 28.54 O ATOM 1620 OE2 GLU A 167 44.439 -3.278 -8.870 1.00 27.70 O ATOM 1621 H GLU A 167 44.165 -3.050 -2.760 1.00 0.00 H ATOM 1622 N CYS A 168 42.972 -0.427 -4.247 1.00 22.41 N ATOM 1623 CA CYS A 168 42.127 0.700 -4.612 1.00 22.68 C ATOM 1624 C CYS A 168 42.532 1.986 -3.892 1.00 22.66 C ATOM 1625 O CYS A 168 42.284 3.074 -4.402 1.00 20.44 O ATOM 1626 CB CYS A 168 40.636 0.403 -4.368 1.00 24.07 C ATOM 1627 SG CYS A 168 39.626 1.244 -5.614 1.00 26.91 S ATOM 1628 H CYS A 168 42.564 -1.222 -3.715 1.00 0.00 H ATOM 1629 N GLN A 169 43.148 1.867 -2.715 1.00 23.30 N ATOM 1630 CA GLN A 169 43.575 3.059 -1.961 1.00 25.91 C ATOM 1631 C GLN A 169 45.016 3.512 -2.300 1.00 25.66 C ATOM 1632 O GLN A 169 45.550 4.427 -1.679 1.00 23.70 O ATOM 1633 CB GLN A 169 43.376 2.852 -0.454 1.00 29.15 C ATOM 1634 CG GLN A 169 44.363 1.926 0.228 1.00 33.86 C ATOM 1635 CD GLN A 169 43.935 1.559 1.648 1.00 39.02 C ATOM 1636 OE1 GLN A 169 43.015 2.161 2.209 1.00 41.39 O ATOM 1637 NE2 GLN A 169 44.611 0.573 2.238 1.00 41.96 N ATOM 1638 HE22 GLN A 169 45.380 0.092 1.729 1.00 0.00 H ATOM 1639 HE21 GLN A 169 44.370 0.285 3.208 1.00 0.00 H ATOM 1640 H GLN A 169 43.329 0.920 -2.324 1.00 0.00 H ATOM 1641 N GLN A 170 45.619 2.896 -3.310 1.00 24.83 N ATOM 1642 CA GLN A 170 46.909 3.372 -3.820 1.00 25.22 C ATOM 1643 C GLN A 170 46.756 4.798 -4.382 1.00 26.73 C ATOM 1644 O GLN A 170 45.662 5.188 -4.807 1.00 25.81 O ATOM 1645 CB GLN A 170 47.446 2.432 -4.900 1.00 24.00 C ATOM 1646 CG GLN A 170 47.767 1.026 -4.424 1.00 24.07 C ATOM 1647 CD GLN A 170 48.784 0.996 -3.303 1.00 24.22 C ATOM 1648 OE1 GLN A 170 48.541 0.430 -2.228 1.00 25.42 O ATOM 1649 NE2 GLN A 170 49.926 1.601 -3.542 1.00 23.36 N ATOM 1650 HE22 GLN A 170 50.087 2.064 -4.459 1.00 0.00 H ATOM 1651 HE21 GLN A 170 50.668 1.617 -2.814 1.00 0.00 H ATOM 1652 H GLN A 170 45.170 2.065 -3.745 1.00 0.00 H ATOM 1653 N PRO A 170A 47.851 5.579 -4.387 1.00 28.74 N ATOM 1654 CA PRO A 170A 47.776 6.990 -4.827 1.00 29.56 C ATOM 1655 C PRO A 170A 47.319 7.197 -6.266 1.00 29.73 C ATOM 1656 O PRO A 170A 46.620 8.176 -6.541 1.00 31.44 O ATOM 1657 CB PRO A 170A 49.213 7.524 -4.638 1.00 30.03 C ATOM 1658 CG PRO A 170A 50.054 6.373 -4.239 1.00 29.81 C ATOM 1659 CD PRO A 170A 49.168 5.236 -3.817 1.00 29.43 C ATOM 1660 N HIS A 170B 47.700 6.310 -7.179 1.00 29.37 N ATOM 1661 CA HIS A 170B 47.289 6.448 -8.580 1.00 30.48 C ATOM 1662 C HIS A 170B 45.901 5.879 -8.843 1.00 27.42 C ATOM 1663 O HIS A 170B 45.347 6.096 -9.917 1.00 27.31 O ATOM 1664 CB HIS A 170B 48.313 5.833 -9.523 1.00 33.64 C ATOM 1665 CG HIS A 170B 49.616 6.568 -9.540 1.00 38.46 C ATOM 1666 ND1 HIS A 170B 50.506 6.529 -8.487 1.00 42.32 N ATOM 1667 CD2 HIS A 170B 50.175 7.371 -10.477 1.00 42.43 C ATOM 1668 CE1 HIS A 170B 51.559 7.274 -8.775 1.00 42.52 C ATOM 1669 NE2 HIS A 170B 51.385 7.792 -9.978 1.00 43.31 N ATOM 1670 H HIS A 170B 48.298 5.507 -6.896 1.00 0.00 H ATOM 1671 N TYR A 171 45.367 5.146 -7.865 1.00 25.22 N ATOM 1672 CA TYR A 171 43.973 4.709 -7.866 1.00 23.63 C ATOM 1673 C TYR A 171 43.139 5.821 -7.216 1.00 23.46 C ATOM 1674 O TYR A 171 43.084 6.915 -7.771 1.00 23.52 O ATOM 1675 CB TYR A 171 43.825 3.336 -7.194 1.00 23.02 C ATOM 1676 CG TYR A 171 44.203 2.187 -8.111 1.00 22.64 C ATOM 1677 CD1 TYR A 171 45.504 2.056 -8.602 1.00 22.77 C ATOM 1678 CD2 TYR A 171 43.256 1.250 -8.518 1.00 23.29 C ATOM 1679 CE1 TYR A 171 45.854 1.025 -9.460 1.00 23.82 C ATOM 1680 CE2 TYR A 171 43.598 0.199 -9.378 1.00 23.82 C ATOM 1681 CZ TYR A 171 44.897 0.085 -9.845 1.00 25.20 C ATOM 1682 OH TYR A 171 45.227 -0.949 -10.700 1.00 25.83 O ATOM 1683 HH TYR A 171 45.053 -1.814 -10.252 1.00 0.00 H ATOM 1684 H TYR A 171 45.971 4.873 -7.064 1.00 0.00 H ATOM 1685 N TYR A 172 42.530 5.590 -6.051 1.00 22.20 N ATOM 1686 CA TYR A 172 41.718 6.628 -5.395 1.00 21.78 C ATOM 1687 C TYR A 172 42.246 7.158 -4.062 1.00 23.21 C ATOM 1688 O TYR A 172 41.645 8.050 -3.466 1.00 24.16 O ATOM 1689 CB TYR A 172 40.282 6.129 -5.217 1.00 21.18 C ATOM 1690 CG TYR A 172 39.591 5.901 -6.540 1.00 20.63 C ATOM 1691 CD1 TYR A 172 39.582 6.886 -7.521 1.00 20.69 C ATOM 1692 CD2 TYR A 172 38.924 4.721 -6.805 1.00 20.64 C ATOM 1693 CE1 TYR A 172 38.952 6.676 -8.734 1.00 20.82 C ATOM 1694 CE2 TYR A 172 38.300 4.502 -8.013 1.00 20.14 C ATOM 1695 CZ TYR A 172 38.292 5.486 -8.966 1.00 19.96 C ATOM 1696 OH TYR A 172 37.650 5.253 -10.158 1.00 21.45 O ATOM 1697 HH TYR A 172 36.693 5.066 -9.985 1.00 0.00 H ATOM 1698 H TYR A 172 42.631 4.659 -5.598 1.00 0.00 H ATOM 1699 N GLY A 173 43.379 6.641 -3.603 1.00 24.46 N ATOM 1700 CA GLY A 173 43.902 7.046 -2.310 1.00 24.10 C ATOM 1701 C GLY A 173 42.907 6.841 -1.185 1.00 25.29 C ATOM 1702 O GLY A 173 42.092 5.907 -1.206 1.00 23.40 O ATOM 1703 H GLY A 173 43.896 5.941 -4.173 1.00 0.00 H ATOM 1704 N SER A 174 42.939 7.764 -0.226 1.00 25.63 N ATOM 1705 CA SER A 174 42.068 7.720 0.943 1.00 28.65 C ATOM 1706 C SER A 174 40.579 8.047 0.685 1.00 28.59 C ATOM 1707 O SER A 174 39.776 7.978 1.611 1.00 29.20 O ATOM 1708 CB SER A 174 42.643 8.665 2.011 1.00 30.39 C ATOM 1709 OG SER A 174 43.040 9.904 1.412 1.00 32.55 O ATOM 1710 HG SER A 174 43.732 9.731 0.725 1.00 0.00 H ATOM 1711 H SER A 174 43.614 8.550 -0.314 1.00 0.00 H ATOM 1712 N GLU A 175 40.209 8.394 -0.551 1.00 29.09 N ATOM 1713 CA GLU A 175 38.793 8.587 -0.912 1.00 30.16 C ATOM 1714 C GLU A 175 37.954 7.303 -0.783 1.00 30.42 C ATOM 1715 O GLU A 175 36.748 7.372 -0.501 1.00 30.34 O ATOM 1716 CB GLU A 175 38.647 9.117 -2.343 1.00 32.27 C ATOM 1717 CG GLU A 175 39.131 10.546 -2.564 1.00 34.23 C ATOM 1718 CD GLU A 175 38.166 11.610 -2.055 1.00 35.63 C ATOM 1719 OE1 GLU A 175 38.651 12.557 -1.397 1.00 36.61 O ATOM 1720 OE2 GLU A 175 36.938 11.527 -2.315 1.00 32.35 O ATOM 1721 H GLU A 175 40.940 8.532 -1.278 1.00 0.00 H ATOM 1722 N VAL A 176 38.572 6.149 -1.034 1.00 27.84 N ATOM 1723 CA VAL A 176 37.872 4.858 -0.912 1.00 26.65 C ATOM 1724 C VAL A 176 37.926 4.336 0.521 1.00 26.74 C ATOM 1725 O VAL A 176 38.985 4.340 1.150 1.00 26.66 O ATOM 1726 CB VAL A 176 38.394 3.776 -1.897 1.00 27.68 C ATOM 1727 CG1 VAL A 176 37.948 4.084 -3.311 1.00 27.68 C ATOM 1728 CG2 VAL A 176 39.910 3.631 -1.845 1.00 28.45 C ATOM 1729 H VAL A 176 39.571 6.160 -1.323 1.00 0.00 H ATOM 1730 N THR A 177 36.772 3.916 1.031 1.00 26.31 N ATOM 1731 CA THR A 177 36.646 3.387 2.389 1.00 25.02 C ATOM 1732 C THR A 177 36.297 1.896 2.383 1.00 25.29 C ATOM 1733 O THR A 177 36.044 1.289 1.327 1.00 23.84 O ATOM 1734 CB THR A 177 35.587 4.164 3.216 1.00 25.37 C ATOM 1735 OG1 THR A 177 34.267 3.845 2.764 1.00 24.30 O ATOM 1736 CG2 THR A 177 35.805 5.663 3.115 1.00 26.79 C ATOM 1737 HG1 THR A 177 33.605 4.348 3.301 1.00 0.00 H ATOM 1738 H THR A 177 35.920 3.966 0.437 1.00 0.00 H ATOM 1739 N THR A 178 36.268 1.314 3.577 1.00 25.78 N ATOM 1740 CA THR A 178 35.953 -0.099 3.742 1.00 27.25 C ATOM 1741 C THR A 178 34.461 -0.392 3.517 1.00 24.74 C ATOM 1742 O THR A 178 34.074 -1.541 3.381 1.00 24.52 O ATOM 1743 CB THR A 178 36.363 -0.616 5.141 1.00 29.99 C ATOM 1744 OG1 THR A 178 35.620 0.079 6.146 1.00 33.03 O ATOM 1745 CG2 THR A 178 37.854 -0.406 5.380 1.00 32.20 C ATOM 1746 HG1 THR A 178 35.885 -0.254 7.040 1.00 0.00 H ATOM 1747 H THR A 178 36.477 1.885 4.421 1.00 0.00 H ATOM 1748 N LYS A 179 33.636 0.646 3.464 1.00 24.11 N ATOM 1749 CA LYS A 179 32.212 0.486 3.121 1.00 23.43 C ATOM 1750 C LYS A 179 31.974 0.596 1.625 1.00 22.99 C ATOM 1751 O LYS A 179 30.828 0.641 1.180 1.00 20.82 O ATOM 1752 CB LYS A 179 31.374 1.506 3.861 1.00 24.45 C ATOM 1753 CG LYS A 179 31.367 1.273 5.365 1.00 27.75 C ATOM 1754 CD LYS A 179 31.036 2.540 6.133 1.00 29.94 C ATOM 1755 CE LYS A 179 29.613 3.001 5.888 1.00 32.72 C ATOM 1756 NZ LYS A 179 29.346 4.329 6.511 1.00 34.88 N ATOM 1757 HZ1 LYS A 179 29.497 4.265 7.538 1.00 0.00 H ATOM 1758 HZ2 LYS A 179 29.993 5.036 6.107 1.00 0.00 H ATOM 1759 HZ3 LYS A 179 28.363 4.608 6.321 1.00 0.00 H ATOM 1760 H LYS A 179 34.004 1.597 3.670 1.00 0.00 H ATOM 1761 N MET A 180 33.056 0.638 0.859 1.00 22.30 N ATOM 1762 CA MET A 180 32.987 0.621 -0.601 1.00 22.94 C ATOM 1763 C MET A 180 33.748 -0.574 -1.157 1.00 23.93 C ATOM 1764 O MET A 180 34.676 -1.092 -0.524 1.00 24.42 O ATOM 1765 CB MET A 180 33.608 1.882 -1.170 1.00 21.86 C ATOM 1766 CG MET A 180 32.918 3.173 -0.776 1.00 22.55 C ATOM 1767 SD MET A 180 33.913 4.603 -1.235 1.00 22.29 S ATOM 1768 CE MET A 180 33.285 5.819 -0.089 1.00 23.26 C ATOM 1769 H MET A 180 33.990 0.685 1.315 1.00 0.00 H ATOM 1770 N LEU A 181 33.380 -0.973 -2.368 1.00 23.76 N ATOM 1771 CA LEU A 181 34.014 -2.077 -3.070 1.00 24.31 C ATOM 1772 C LEU A 181 34.483 -1.565 -4.439 1.00 22.57 C ATOM 1773 O LEU A 181 33.723 -0.909 -5.131 1.00 22.26 O ATOM 1774 CB LEU A 181 32.989 -3.191 -3.264 1.00 27.50 C ATOM 1775 CG LEU A 181 33.400 -4.602 -2.902 1.00 32.17 C ATOM 1776 CD1 LEU A 181 32.197 -5.531 -3.028 1.00 32.62 C ATOM 1777 CD2 LEU A 181 34.556 -5.042 -3.790 1.00 33.97 C ATOM 1778 H LEU A 181 32.600 -0.471 -2.838 1.00 0.00 H ATOM 1779 N CYS A 182 35.732 -1.844 -4.807 1.00 20.38 N ATOM 1780 CA CYS A 182 36.236 -1.541 -6.151 1.00 19.77 C ATOM 1781 C CYS A 182 36.216 -2.766 -7.072 1.00 18.59 C ATOM 1782 O CYS A 182 36.456 -3.905 -6.649 1.00 17.64 O ATOM 1783 CB CYS A 182 37.650 -0.965 -6.075 1.00 20.99 C ATOM 1784 SG CYS A 182 37.722 0.619 -5.210 1.00 23.67 S ATOM 1785 H CYS A 182 36.371 -2.291 -4.119 1.00 0.00 H ATOM 1786 N ALA A 183 35.887 -2.528 -8.334 1.00 17.39 N ATOM 1787 CA ALA A 183 35.883 -3.568 -9.320 1.00 18.09 C ATOM 1788 C ALA A 183 36.224 -2.955 -10.647 1.00 19.05 C ATOM 1789 O ALA A 183 35.785 -1.840 -10.960 1.00 17.78 O ATOM 1790 CB ALA A 183 34.524 -4.251 -9.388 1.00 18.77 C ATOM 1791 H ALA A 183 35.625 -1.562 -8.616 1.00 0.00 H ATOM 1792 N ALA A 184 37.002 -3.702 -11.417 1.00 20.02 N ATOM 1793 CA ALA A 184 37.391 -3.299 -12.754 1.00 21.65 C ATOM 1794 C ALA A 184 37.785 -4.480 -13.642 1.00 21.75 C ATOM 1795 O ALA A 184 37.952 -5.621 -13.189 1.00 21.84 O ATOM 1796 CB ALA A 184 38.545 -2.312 -12.676 1.00 22.45 C ATOM 1797 H ALA A 184 37.346 -4.611 -11.048 1.00 0.00 H ATOM 1798 N ASP A 185 37.920 -4.156 -14.920 1.00 23.09 N ATOM 1799 CA ASP A 185 38.507 -5.017 -15.935 1.00 25.25 C ATOM 1800 C ASP A 185 40.036 -4.886 -15.822 1.00 26.97 C ATOM 1801 O ASP A 185 40.545 -3.772 -15.812 1.00 25.76 O ATOM 1802 CB ASP A 185 38.051 -4.509 -17.296 1.00 26.44 C ATOM 1803 CG ASP A 185 38.515 -5.369 -18.435 1.00 28.62 C ATOM 1804 OD1 ASP A 185 38.686 -6.579 -18.239 1.00 33.78 O ATOM 1805 OD2 ASP A 185 38.691 -4.825 -19.533 1.00 32.14 O ATOM 1806 H ASP A 185 37.582 -3.219 -15.219 1.00 0.00 H ATOM 1807 N PRO A 185A 40.767 -6.018 -15.734 1.00 30.51 N ATOM 1808 CA PRO A 185A 42.246 -6.008 -15.740 1.00 32.04 C ATOM 1809 C PRO A 185A 42.873 -5.242 -16.900 1.00 33.45 C ATOM 1810 O PRO A 185A 43.959 -4.681 -16.747 1.00 34.07 O ATOM 1811 CB PRO A 185A 42.601 -7.488 -15.849 1.00 32.62 C ATOM 1812 CG PRO A 185A 41.467 -8.186 -15.188 1.00 33.01 C ATOM 1813 CD PRO A 185A 40.237 -7.355 -15.411 1.00 31.43 C ATOM 1814 N GLN A 185B 42.195 -5.215 -18.043 1.00 34.16 N ATOM 1815 CA GLN A 185B 42.663 -4.462 -19.211 1.00 35.23 C ATOM 1816 C GLN A 185B 41.896 -3.154 -19.454 1.00 32.72 C ATOM 1817 O GLN A 185B 42.042 -2.523 -20.503 1.00 30.08 O ATOM 1818 CB GLN A 185B 42.615 -5.363 -20.441 1.00 37.40 C ATOM 1819 CG GLN A 185B 43.744 -6.382 -20.462 1.00 41.22 C ATOM 1820 CD GLN A 185B 45.116 -5.724 -20.545 1.00 43.29 C ATOM 1821 OE1 GLN A 185B 45.520 -5.241 -21.607 1.00 45.19 O ATOM 1822 NE2 GLN A 185B 45.836 -5.694 -19.419 1.00 44.84 N ATOM 1823 HE22 GLN A 185B 45.455 -6.114 -18.547 1.00 0.00 H ATOM 1824 HE21 GLN A 185B 46.777 -5.251 -19.415 1.00 0.00 H ATOM 1825 H GLN A 185B 41.303 -5.745 -18.111 1.00 0.00 H ATOM 1826 N TRP A 186 41.079 -2.751 -18.481 1.00 29.95 N ATOM 1827 CA TRP A 186 40.413 -1.451 -18.507 1.00 28.97 C ATOM 1828 C TRP A 186 39.569 -1.218 -19.753 1.00 27.91 C ATOM 1829 O TRP A 186 39.493 -0.099 -20.243 1.00 28.71 O ATOM 1830 CB TRP A 186 41.462 -0.342 -18.363 1.00 29.16 C ATOM 1831 CG TRP A 186 42.411 -0.634 -17.254 1.00 28.75 C ATOM 1832 CD1 TRP A 186 43.699 -1.080 -17.373 1.00 28.32 C ATOM 1833 CD2 TRP A 186 42.138 -0.554 -15.849 1.00 28.00 C ATOM 1834 NE1 TRP A 186 44.249 -1.265 -16.124 1.00 28.28 N ATOM 1835 CE2 TRP A 186 43.315 -0.952 -15.172 1.00 27.77 C ATOM 1836 CE3 TRP A 186 41.023 -0.172 -15.096 1.00 27.40 C ATOM 1837 CZ2 TRP A 186 43.404 -0.984 -13.774 1.00 27.19 C ATOM 1838 CZ3 TRP A 186 41.115 -0.200 -13.696 1.00 27.30 C ATOM 1839 CH2 TRP A 186 42.298 -0.597 -13.057 1.00 27.26 C ATOM 1840 HE1 TRP A 186 45.218 -1.590 -15.934 1.00 0.00 H ATOM 1841 H TRP A 186 40.910 -3.385 -17.674 1.00 0.00 H ATOM 1842 N LYS A 187 38.925 -2.266 -20.254 1.00 27.46 N ATOM 1843 CA LYS A 187 38.106 -2.156 -21.474 1.00 28.41 C ATOM 1844 C LYS A 187 36.596 -2.182 -21.210 1.00 25.74 C ATOM 1845 O LYS A 187 35.817 -1.875 -22.097 1.00 27.03 O ATOM 1846 CB LYS A 187 38.453 -3.272 -22.461 1.00 31.96 C ATOM 1847 CG LYS A 187 39.893 -3.241 -22.965 1.00 34.82 C ATOM 1848 CD LYS A 187 40.258 -4.533 -23.679 1.00 38.01 C ATOM 1849 CE LYS A 187 39.707 -4.597 -25.095 1.00 40.04 C ATOM 1850 NZ LYS A 187 40.654 -4.022 -26.093 1.00 41.73 N ATOM 1851 HZ1 LYS A 187 40.837 -3.025 -25.861 1.00 0.00 H ATOM 1852 HZ2 LYS A 187 41.547 -4.554 -26.068 1.00 0.00 H ATOM 1853 HZ3 LYS A 187 40.236 -4.087 -27.043 1.00 0.00 H ATOM 1854 H LYS A 187 39.001 -3.186 -19.774 1.00 0.00 H ATOM 1855 N THR A 188 36.190 -2.539 -20.001 1.00 24.00 N ATOM 1856 CA THR A 188 34.778 -2.599 -19.660 1.00 22.92 C ATOM 1857 C THR A 188 34.570 -2.077 -18.228 1.00 21.85 C ATOM 1858 O THR A 188 35.424 -2.253 -17.365 1.00 21.85 O ATOM 1859 CB THR A 188 34.213 -4.031 -19.864 1.00 23.06 C ATOM 1860 OG1 THR A 188 32.782 -4.027 -19.728 1.00 23.65 O ATOM 1861 CG2 THR A 188 34.807 -5.024 -18.886 1.00 23.54 C ATOM 1862 HG1 THR A 188 32.437 -4.945 -19.860 1.00 0.00 H ATOM 1863 H THR A 188 36.898 -2.782 -19.279 1.00 0.00 H ATOM 1864 N ASP A 189 33.439 -1.417 -17.998 1.00 20.73 N ATOM 1865 CA ASP A 189 33.178 -0.729 -16.734 1.00 20.69 C ATOM 1866 C ASP A 189 31.726 -0.287 -16.723 1.00 20.00 C ATOM 1867 O ASP A 189 31.076 -0.266 -17.767 1.00 20.42 O ATOM 1868 CB ASP A 189 34.083 0.504 -16.632 1.00 20.82 C ATOM 1869 CG ASP A 189 34.230 1.046 -15.208 1.00 21.88 C ATOM 1870 OD1 ASP A 189 33.624 0.507 -14.252 1.00 21.86 O ATOM 1871 OD2 ASP A 189 34.974 2.043 -15.053 1.00 21.81 O ATOM 1872 H ASP A 189 32.714 -1.389 -18.743 1.00 0.00 H ATOM 1873 N SER A 190 31.235 0.087 -15.548 1.00 19.22 N ATOM 1874 CA SER A 190 30.001 0.826 -15.451 1.00 19.33 C ATOM 1875 C SER A 190 30.277 2.293 -15.813 1.00 19.82 C ATOM 1876 O SER A 190 31.426 2.759 -15.839 1.00 19.05 O ATOM 1877 CB SER A 190 29.386 0.696 -14.040 1.00 19.29 C ATOM 1878 OG SER A 190 30.354 0.952 -13.034 1.00 19.62 O ATOM 1879 HG SER A 190 31.095 0.301 -13.118 1.00 0.00 H ATOM 1880 H SER A 190 31.751 -0.158 -14.679 1.00 0.00 H ATOM 1881 N CYS A 191 29.215 3.025 -16.096 1.00 19.63 N ATOM 1882 CA CYS A 191 29.348 4.424 -16.443 1.00 19.87 C ATOM 1883 C CYS A 191 28.121 5.195 -15.978 1.00 19.45 C ATOM 1884 O CYS A 191 27.244 4.641 -15.320 1.00 17.50 O ATOM 1885 CB CYS A 191 29.546 4.540 -17.957 1.00 21.56 C ATOM 1886 SG CYS A 191 30.325 6.069 -18.517 1.00 24.09 S ATOM 1887 H CYS A 191 28.270 2.591 -16.069 1.00 0.00 H ATOM 1888 N GLN A 192 28.060 6.476 -16.322 1.00 19.33 N ATOM 1889 CA GLN A 192 26.903 7.303 -15.977 1.00 19.85 C ATOM 1890 C GLN A 192 25.653 6.650 -16.534 1.00 19.18 C ATOM 1891 O GLN A 192 25.663 6.144 -17.659 1.00 19.27 O ATOM 1892 CB GLN A 192 27.043 8.730 -16.524 1.00 20.72 C ATOM 1893 CG GLN A 192 27.850 9.666 -15.644 1.00 21.27 C ATOM 1894 CD GLN A 192 29.313 9.285 -15.584 1.00 22.78 C ATOM 1895 OE1 GLN A 192 29.918 8.931 -16.608 1.00 24.66 O ATOM 1896 NE2 GLN A 192 29.888 9.328 -14.394 1.00 22.52 N ATOM 1897 HE22 GLN A 192 29.341 9.631 -13.563 1.00 0.00 H ATOM 1898 HE21 GLN A 192 30.887 9.058 -14.289 1.00 0.00 H ATOM 1899 H GLN A 192 28.851 6.900 -16.847 1.00 0.00 H ATOM 1900 N GLY A 193 24.592 6.637 -15.729 1.00 18.64 N ATOM 1901 CA GLY A 193 23.358 5.953 -16.099 1.00 18.76 C ATOM 1902 C GLY A 193 23.254 4.557 -15.506 1.00 18.37 C ATOM 1903 O GLY A 193 22.161 4.014 -15.432 1.00 19.07 O ATOM 1904 H GLY A 193 24.645 7.127 -14.813 1.00 0.00 H ATOM 1905 N ASP A 194 24.386 3.979 -15.083 1.00 17.31 N ATOM 1906 CA ASP A 194 24.407 2.659 -14.441 1.00 15.61 C ATOM 1907 C ASP A 194 24.243 2.743 -12.934 1.00 15.47 C ATOM 1908 O ASP A 194 24.029 1.718 -12.292 1.00 15.46 O ATOM 1909 CB ASP A 194 25.701 1.902 -14.788 1.00 16.75 C ATOM 1910 CG ASP A 194 25.773 1.509 -16.271 1.00 17.04 C ATOM 1911 OD1 ASP A 194 24.751 1.035 -16.803 1.00 18.83 O ATOM 1912 OD2 ASP A 194 26.837 1.685 -16.917 1.00 16.94 O ATOM 1913 H ASP A 194 25.285 4.485 -15.215 1.00 0.00 H ATOM 1914 N SER A 195 24.351 3.951 -12.376 1.00 15.86 N ATOM 1915 CA SER A 195 24.270 4.166 -10.928 1.00 16.33 C ATOM 1916 C SER A 195 23.015 3.574 -10.370 1.00 15.98 C ATOM 1917 O SER A 195 21.961 3.624 -11.020 1.00 14.26 O ATOM 1918 CB SER A 195 24.306 5.662 -10.572 1.00 17.31 C ATOM 1919 OG SER A 195 25.606 6.188 -10.743 1.00 17.82 O ATOM 1920 HG SER A 195 25.884 6.077 -11.687 1.00 0.00 H ATOM 1921 H SER A 195 24.499 4.774 -12.994 1.00 0.00 H ATOM 1922 N GLY A 196 23.125 3.020 -9.157 1.00 15.94 N ATOM 1923 CA GLY A 196 21.990 2.385 -8.489 1.00 16.81 C ATOM 1924 C GLY A 196 21.805 0.902 -8.760 1.00 16.88 C ATOM 1925 O GLY A 196 21.220 0.187 -7.961 1.00 17.26 O ATOM 1926 H GLY A 196 24.046 3.042 -8.675 1.00 0.00 H ATOM 1927 N GLY A 197 22.315 0.434 -9.890 1.00 16.35 N ATOM 1928 CA GLY A 197 22.174 -0.943 -10.308 1.00 16.73 C ATOM 1929 C GLY A 197 23.108 -1.898 -9.593 1.00 16.99 C ATOM 1930 O GLY A 197 23.963 -1.472 -8.815 1.00 16.63 O ATOM 1931 H GLY A 197 22.841 1.087 -10.505 1.00 0.00 H ATOM 1932 N PRO A 198 22.926 -3.197 -9.845 1.00 17.77 N ATOM 1933 CA PRO A 198 23.553 -4.264 -9.093 1.00 18.06 C ATOM 1934 C PRO A 198 24.955 -4.632 -9.564 1.00 19.23 C ATOM 1935 O PRO A 198 25.236 -4.629 -10.766 1.00 19.60 O ATOM 1936 CB PRO A 198 22.618 -5.442 -9.345 1.00 18.84 C ATOM 1937 CG PRO A 198 22.117 -5.212 -10.724 1.00 18.73 C ATOM 1938 CD PRO A 198 21.946 -3.723 -10.817 1.00 17.83 C ATOM 1939 N LEU A 199 25.812 -4.902 -8.591 1.00 19.19 N ATOM 1940 CA LEU A 199 27.019 -5.701 -8.768 1.00 20.50 C ATOM 1941 C LEU A 199 26.677 -7.033 -8.112 1.00 20.25 C ATOM 1942 O LEU A 199 26.440 -7.088 -6.894 1.00 18.82 O ATOM 1943 CB LEU A 199 28.198 -5.045 -8.054 1.00 21.76 C ATOM 1944 CG LEU A 199 29.504 -5.847 -7.975 1.00 24.12 C ATOM 1945 CD1 LEU A 199 30.235 -5.786 -9.300 1.00 25.13 C ATOM 1946 CD2 LEU A 199 30.381 -5.316 -6.857 1.00 25.91 C ATOM 1947 H LEU A 199 25.612 -4.521 -7.644 1.00 0.00 H ATOM 1948 N VAL A 200 26.590 -8.081 -8.924 1.00 20.09 N ATOM 1949 CA VAL A 200 26.128 -9.389 -8.470 1.00 20.61 C ATOM 1950 C VAL A 200 27.261 -10.393 -8.561 1.00 21.67 C ATOM 1951 O VAL A 200 27.929 -10.497 -9.596 1.00 21.23 O ATOM 1952 CB VAL A 200 24.919 -9.870 -9.300 1.00 20.34 C ATOM 1953 CG1 VAL A 200 24.539 -11.308 -8.978 1.00 20.71 C ATOM 1954 CG2 VAL A 200 23.742 -8.959 -9.032 1.00 20.83 C ATOM 1955 H VAL A 200 26.861 -7.965 -9.921 1.00 0.00 H ATOM 1956 N CYS A 201 27.473 -11.122 -7.471 1.00 22.31 N ATOM 1957 CA CYS A 201 28.480 -12.171 -7.425 1.00 24.73 C ATOM 1958 C CYS A 201 27.829 -13.496 -7.044 1.00 27.06 C ATOM 1959 O CYS A 201 26.916 -13.548 -6.217 1.00 25.95 O ATOM 1960 CB CYS A 201 29.604 -11.834 -6.437 1.00 26.82 C ATOM 1961 SG CYS A 201 30.278 -10.157 -6.570 1.00 28.11 S ATOM 1962 H CYS A 201 26.900 -10.937 -6.623 1.00 0.00 H ATOM 1963 N SER A 202 28.277 -14.554 -7.703 1.00 29.91 N ATOM 1964 CA SER A 202 27.907 -15.896 -7.347 1.00 34.73 C ATOM 1965 C SER A 202 28.669 -16.188 -6.069 1.00 37.46 C ATOM 1966 O SER A 202 29.890 -16.340 -6.082 1.00 37.81 O ATOM 1967 CB SER A 202 28.310 -16.877 -8.447 1.00 36.37 C ATOM 1968 OG SER A 202 28.190 -18.207 -7.987 1.00 39.17 O ATOM 1969 HG SER A 202 28.781 -18.339 -7.204 1.00 0.00 H ATOM 1970 H SER A 202 28.920 -14.408 -8.507 1.00 0.00 H ATOM 1971 N LEU A 203 27.946 -16.223 -4.962 1.00 40.91 N ATOM 1972 CA LEU A 203 28.571 -16.339 -3.662 1.00 44.96 C ATOM 1973 C LEU A 203 28.020 -17.570 -2.977 1.00 47.79 C ATOM 1974 O LEU A 203 26.816 -17.667 -2.710 1.00 48.09 O ATOM 1975 CB LEU A 203 28.319 -15.076 -2.829 1.00 46.33 C ATOM 1976 CG LEU A 203 29.076 -14.910 -1.505 1.00 47.70 C ATOM 1977 CD1 LEU A 203 30.583 -14.850 -1.710 1.00 47.59 C ATOM 1978 CD2 LEU A 203 28.593 -13.664 -0.773 1.00 47.99 C ATOM 1979 H LEU A 203 26.910 -16.166 -5.027 1.00 0.00 H ATOM 1980 N GLN A 204 28.906 -18.534 -2.747 1.00 51.41 N ATOM 1981 CA GLN A 204 28.609 -19.667 -1.881 1.00 53.55 C ATOM 1982 C GLN A 204 27.350 -20.391 -2.360 1.00 54.03 C ATOM 1983 O GLN A 204 26.456 -20.720 -1.575 1.00 55.85 O ATOM 1984 CB GLN A 204 28.501 -19.176 -0.430 1.00 53.55 C ATOM 1985 CG GLN A 204 29.784 -18.485 0.030 1.00 54.46 C ATOM 1986 CD GLN A 204 29.646 -17.649 1.291 1.00 55.04 C ATOM 1987 OE1 GLN A 204 28.566 -17.521 1.870 1.00 58.96 O ATOM 1988 NE2 GLN A 204 30.757 -17.067 1.719 1.00 55.51 N ATOM 1989 HE22 GLN A 204 31.648 -17.202 1.200 1.00 0.00 H ATOM 1990 HE21 GLN A 204 30.738 -16.476 2.574 1.00 0.00 H ATOM 1991 H GLN A 204 29.841 -18.477 -3.200 1.00 0.00 H ATOM 1992 N GLY A 205 27.299 -20.610 -3.673 1.00 53.44 N ATOM 1993 CA GLY A 205 26.198 -21.322 -4.318 1.00 51.02 C ATOM 1994 C GLY A 205 24.947 -20.503 -4.575 1.00 49.94 C ATOM 1995 O GLY A 205 23.857 -21.066 -4.668 1.00 54.04 O ATOM 1996 H GLY A 205 28.078 -20.258 -4.266 1.00 0.00 H ATOM 1997 N ARG A 206 25.083 -19.182 -4.705 1.00 44.59 N ATOM 1998 CA ARG A 206 23.906 -18.323 -4.878 1.00 38.77 C ATOM 1999 C ARG A 206 24.226 -16.911 -5.387 1.00 32.56 C ATOM 2000 O ARG A 206 25.157 -16.272 -4.911 1.00 29.28 O ATOM 2001 CB ARG A 206 23.159 -18.203 -3.554 1.00 41.26 C ATOM 2002 CG ARG A 206 21.765 -17.633 -3.703 1.00 42.71 C ATOM 2003 CD ARG A 206 21.279 -17.034 -2.405 1.00 42.49 C ATOM 2004 NE ARG A 206 21.136 -18.043 -1.372 1.00 43.41 N ATOM 2005 CZ ARG A 206 20.109 -18.882 -1.261 1.00 44.46 C ATOM 2006 NH1 ARG A 206 19.103 -18.857 -2.136 1.00 44.45 N ATOM 2007 NH2 ARG A 206 20.097 -19.751 -0.259 1.00 45.38 N ATOM 2008 HE ARG A 206 21.894 -18.116 -0.664 1.00 0.00 H ATOM 2009 HH12 ARG A 206 18.308 -19.520 -2.034 1.00 0.00 H ATOM 2010 HH11 ARG A 206 19.113 -18.174 -2.921 1.00 0.00 H ATOM 2011 HH22 ARG A 206 19.303 -20.415 -0.156 1.00 0.00 H ATOM 2012 HH21 ARG A 206 20.882 -19.769 0.423 1.00 0.00 H ATOM 2013 H ARG A 206 26.032 -18.757 -4.684 1.00 0.00 H ATOM 2014 N MET A 207 23.421 -16.432 -6.335 1.00 29.73 N ATOM 2015 CA MET A 207 23.537 -15.064 -6.852 1.00 27.81 C ATOM 2016 C MET A 207 23.200 -14.047 -5.758 1.00 26.13 C ATOM 2017 O MET A 207 22.107 -14.058 -5.184 1.00 24.77 O ATOM 2018 CB MET A 207 22.624 -14.866 -8.065 1.00 30.22 C ATOM 2019 CG MET A 207 23.004 -15.742 -9.246 1.00 31.52 C ATOM 2020 SD MET A 207 24.581 -15.249 -9.974 1.00 34.10 S ATOM 2021 CE MET A 207 23.964 -13.981 -11.080 1.00 35.88 C ATOM 2022 H MET A 207 22.682 -17.052 -6.723 1.00 0.00 H ATOM 2023 N THR A 208 24.150 -13.160 -5.477 1.00 23.37 N ATOM 2024 CA THR A 208 24.084 -12.296 -4.302 1.00 22.80 C ATOM 2025 C THR A 208 24.369 -10.850 -4.701 1.00 21.56 C ATOM 2026 O THR A 208 25.288 -10.593 -5.476 1.00 20.63 O ATOM 2027 CB THR A 208 25.125 -12.759 -3.259 1.00 24.30 C ATOM 2028 OG1 THR A 208 24.881 -14.131 -2.924 1.00 26.79 O ATOM 2029 CG2 THR A 208 25.070 -11.927 -1.993 1.00 25.03 C ATOM 2030 HG1 THR A 208 24.958 -14.687 -3.739 1.00 0.00 H ATOM 2031 H THR A 208 24.967 -13.079 -6.115 1.00 0.00 H ATOM 2032 N LEU A 209 23.574 -9.920 -4.176 1.00 21.48 N ATOM 2033 CA LEU A 209 23.807 -8.488 -4.362 1.00 21.23 C ATOM 2034 C LEU A 209 24.965 -8.024 -3.490 1.00 21.49 C ATOM 2035 O LEU A 209 24.805 -7.767 -2.302 1.00 23.06 O ATOM 2036 CB LEU A 209 22.551 -7.666 -4.036 1.00 20.89 C ATOM 2037 CG LEU A 209 22.646 -6.189 -4.449 1.00 20.85 C ATOM 2038 CD1 LEU A 209 22.745 -6.039 -5.967 1.00 21.12 C ATOM 2039 CD2 LEU A 209 21.466 -5.413 -3.893 1.00 22.25 C ATOM 2040 H LEU A 209 22.755 -10.224 -3.611 1.00 0.00 H ATOM 2041 N THR A 210 26.141 -7.935 -4.089 1.00 21.06 N ATOM 2042 CA THR A 210 27.352 -7.605 -3.352 1.00 20.87 C ATOM 2043 C THR A 210 27.572 -6.086 -3.350 1.00 19.58 C ATOM 2044 O THR A 210 28.075 -5.513 -2.390 1.00 19.76 O ATOM 2045 CB THR A 210 28.526 -8.329 -4.019 1.00 21.58 C ATOM 2046 OG1 THR A 210 28.283 -9.741 -3.963 1.00 23.29 O ATOM 2047 CG2 THR A 210 29.852 -8.024 -3.365 1.00 21.78 C ATOM 2048 HG1 THR A 210 27.442 -9.949 -4.442 1.00 0.00 H ATOM 2049 H THR A 210 26.202 -8.105 -5.113 1.00 0.00 H ATOM 2050 N GLY A 211 27.191 -5.424 -4.432 1.00 18.92 N ATOM 2051 CA GLY A 211 27.448 -3.997 -4.563 1.00 18.53 C ATOM 2052 C GLY A 211 26.365 -3.240 -5.295 1.00 17.47 C ATOM 2053 O GLY A 211 25.554 -3.841 -5.990 1.00 18.50 O ATOM 2054 H GLY A 211 26.702 -5.930 -5.198 1.00 0.00 H ATOM 2055 N ILE A 212 26.385 -1.925 -5.122 1.00 17.12 N ATOM 2056 CA ILE A 212 25.511 -0.987 -5.821 1.00 17.35 C ATOM 2057 C ILE A 212 26.370 0.036 -6.572 1.00 16.57 C ATOM 2058 O ILE A 212 27.229 0.687 -5.986 1.00 16.57 O ATOM 2059 CB ILE A 212 24.573 -0.245 -4.840 1.00 18.79 C ATOM 2060 CG1 ILE A 212 23.619 -1.218 -4.138 1.00 19.27 C ATOM 2061 CG2 ILE A 212 23.758 0.843 -5.543 1.00 19.05 C ATOM 2062 CD1 ILE A 212 23.032 -0.625 -2.869 1.00 20.05 C ATOM 2063 H ILE A 212 27.069 -1.536 -4.443 1.00 0.00 H ATOM 2064 N VAL A 213 26.129 0.192 -7.871 1.00 14.94 N ATOM 2065 CA VAL A 213 26.903 1.122 -8.679 1.00 15.01 C ATOM 2066 C VAL A 213 26.809 2.548 -8.101 1.00 15.47 C ATOM 2067 O VAL A 213 25.710 3.129 -7.995 1.00 15.38 O ATOM 2068 CB VAL A 213 26.438 1.163 -10.144 1.00 15.14 C ATOM 2069 CG1 VAL A 213 27.319 2.112 -10.951 1.00 15.54 C ATOM 2070 CG2 VAL A 213 26.425 -0.215 -10.783 1.00 15.22 C ATOM 2071 H VAL A 213 25.371 -0.363 -8.318 1.00 0.00 H ATOM 2072 N SER A 214 27.956 3.103 -7.739 1.00 14.78 N ATOM 2073 CA SER A 214 28.018 4.394 -7.076 1.00 15.70 C ATOM 2074 C SER A 214 28.800 5.446 -7.862 1.00 16.70 C ATOM 2075 O SER A 214 28.231 6.459 -8.290 1.00 17.09 O ATOM 2076 CB SER A 214 28.580 4.229 -5.641 1.00 15.83 C ATOM 2077 OG SER A 214 28.593 5.461 -4.938 1.00 15.93 O ATOM 2078 HG SER A 214 27.670 5.812 -4.873 1.00 0.00 H ATOM 2079 H SER A 214 28.843 2.597 -7.936 1.00 0.00 H ATOM 2080 N TRP A 215 30.113 5.250 -8.009 1.00 17.34 N ATOM 2081 CA TRP A 215 30.959 6.294 -8.551 1.00 17.48 C ATOM 2082 C TRP A 215 32.251 5.766 -9.160 1.00 17.11 C ATOM 2083 O TRP A 215 32.595 4.586 -9.026 1.00 16.86 O ATOM 2084 CB TRP A 215 31.272 7.366 -7.483 1.00 18.00 C ATOM 2085 CG TRP A 215 32.109 6.916 -6.299 1.00 17.93 C ATOM 2086 CD1 TRP A 215 31.647 6.355 -5.140 1.00 17.97 C ATOM 2087 CD2 TRP A 215 33.544 7.041 -6.133 1.00 17.83 C ATOM 2088 NE1 TRP A 215 32.687 6.114 -4.283 1.00 18.09 N ATOM 2089 CE2 TRP A 215 33.861 6.514 -4.864 1.00 17.85 C ATOM 2090 CE3 TRP A 215 34.579 7.520 -6.942 1.00 18.15 C ATOM 2091 CZ2 TRP A 215 35.181 6.457 -4.372 1.00 18.43 C ATOM 2092 CZ3 TRP A 215 35.902 7.463 -6.447 1.00 18.37 C ATOM 2093 CH2 TRP A 215 36.177 6.940 -5.179 1.00 17.90 C ATOM 2094 HE1 TRP A 215 32.599 5.692 -3.336 1.00 0.00 H ATOM 2095 H TRP A 215 30.532 4.339 -7.732 1.00 0.00 H ATOM 2096 N GLY A 216 32.932 6.668 -9.853 1.00 18.05 N ATOM 2097 CA GLY A 216 34.221 6.396 -10.461 1.00 18.77 C ATOM 2098 C GLY A 216 34.765 7.620 -11.163 1.00 20.75 C ATOM 2099 O GLY A 216 34.031 8.537 -11.496 1.00 20.87 O ATOM 2100 H GLY A 216 32.522 7.617 -9.966 1.00 0.00 H ATOM 2101 N ARG A 217 36.076 7.637 -11.365 1.00 22.78 N ATOM 2102 CA ARG A 217 36.728 8.703 -12.096 1.00 23.96 C ATOM 2103 C ARG A 217 36.663 8.299 -13.567 1.00 24.15 C ATOM 2104 O ARG A 217 37.336 7.370 -13.994 1.00 23.31 O ATOM 2105 CB ARG A 217 38.168 8.830 -11.589 1.00 26.41 C ATOM 2106 CG ARG A 217 39.103 9.642 -12.429 1.00 29.38 C ATOM 2107 CD ARG A 217 38.820 11.127 -12.359 1.00 31.31 C ATOM 2108 NE ARG A 217 39.611 11.720 -13.418 1.00 35.18 N ATOM 2109 CZ ARG A 217 39.218 11.834 -14.683 1.00 37.28 C ATOM 2110 NH1 ARG A 217 37.995 11.467 -15.062 1.00 37.33 N ATOM 2111 NH2 ARG A 217 40.047 12.360 -15.568 1.00 39.39 N ATOM 2112 HE ARG A 217 40.554 12.083 -13.171 1.00 0.00 H ATOM 2113 HH12 ARG A 217 37.708 11.565 -16.057 1.00 0.00 H ATOM 2114 HH11 ARG A 217 37.327 11.083 -14.363 1.00 0.00 H ATOM 2115 HH22 ARG A 217 39.755 12.456 -16.561 1.00 0.00 H ATOM 2116 HH21 ARG A 217 40.992 12.678 -15.271 1.00 0.00 H ATOM 2117 H ARG A 217 36.654 6.860 -10.986 1.00 0.00 H ATOM 2118 N GLY A 218 35.807 8.972 -14.332 1.00 24.90 N ATOM 2119 CA GLY A 218 35.571 8.598 -15.725 1.00 24.31 C ATOM 2120 C GLY A 218 34.908 7.240 -15.880 1.00 24.09 C ATOM 2121 O GLY A 218 34.308 6.713 -14.938 1.00 23.98 O ATOM 2122 H GLY A 218 35.294 9.782 -13.930 1.00 0.00 H ATOM 2123 N CYS A 220 35.020 6.665 -17.074 1.00 23.43 N ATOM 2124 CA CYS A 220 34.547 5.317 -17.344 1.00 24.35 C ATOM 2125 C CYS A 220 35.602 4.470 -18.081 1.00 24.32 C ATOM 2126 O CYS A 220 36.077 4.856 -19.135 1.00 23.50 O ATOM 2127 CB CYS A 220 33.265 5.384 -18.162 1.00 25.74 C ATOM 2128 SG CYS A 220 31.954 6.256 -17.271 1.00 27.17 S ATOM 2129 H CYS A 220 35.464 7.202 -17.846 1.00 0.00 H ATOM 2130 N ALA A 221 35.946 3.323 -17.507 1.00 23.46 N ATOM 2131 CA ALA A 221 36.947 2.404 -18.066 1.00 24.90 C ATOM 2132 C ALA A 221 38.284 3.108 -18.328 1.00 25.28 C ATOM 2133 O ALA A 221 38.895 2.936 -19.388 1.00 26.65 O ATOM 2134 CB ALA A 221 36.424 1.750 -19.331 1.00 25.00 C ATOM 2135 H ALA A 221 35.482 3.061 -16.614 1.00 0.00 H ATOM 2136 N LEU A 222 38.685 3.943 -17.381 1.00 24.02 N ATOM 2137 CA LEU A 222 39.977 4.613 -17.421 1.00 25.64 C ATOM 2138 C LEU A 222 40.986 3.794 -16.632 1.00 25.68 C ATOM 2139 O LEU A 222 40.668 3.228 -15.576 1.00 23.50 O ATOM 2140 CB LEU A 222 39.895 6.040 -16.848 1.00 26.24 C ATOM 2141 CG LEU A 222 39.080 7.089 -17.610 1.00 27.66 C ATOM 2142 CD1 LEU A 222 39.246 8.475 -17.007 1.00 28.68 C ATOM 2143 CD2 LEU A 222 39.459 7.126 -19.083 1.00 27.91 C ATOM 2144 H LEU A 222 38.052 4.127 -16.577 1.00 0.00 H ATOM 2145 N LYS A 223 42.210 3.746 -17.144 1.00 26.64 N ATOM 2146 CA LYS A 223 43.271 2.984 -16.507 1.00 27.20 C ATOM 2147 C LYS A 223 43.456 3.448 -15.070 1.00 25.08 C ATOM 2148 O LYS A 223 43.507 4.640 -14.802 1.00 24.62 O ATOM 2149 CB LYS A 223 44.586 3.124 -17.280 1.00 29.88 C ATOM 2150 CG LYS A 223 45.690 2.210 -16.756 1.00 33.23 C ATOM 2151 CD LYS A 223 47.011 2.407 -17.487 1.00 35.51 C ATOM 2152 CE LYS A 223 48.118 1.573 -16.856 1.00 37.11 C ATOM 2153 NZ LYS A 223 49.473 2.067 -17.234 1.00 39.98 N ATOM 2154 HZ1 LYS A 223 49.581 2.023 -18.267 1.00 0.00 H ATOM 2155 HZ2 LYS A 223 49.584 3.050 -16.914 1.00 0.00 H ATOM 2156 HZ3 LYS A 223 50.196 1.471 -16.783 1.00 0.00 H ATOM 2157 H LYS A 223 42.414 4.266 -18.021 1.00 0.00 H ATOM 2158 N ASP A 223A 43.549 2.480 -14.166 1.00 24.44 N ATOM 2159 CA ASP A 223A 43.777 2.690 -12.738 1.00 23.84 C ATOM 2160 C ASP A 223A 42.635 3.402 -12.034 1.00 22.29 C ATOM 2161 O ASP A 223A 42.816 3.919 -10.944 1.00 21.22 O ATOM 2162 CB ASP A 223A 45.095 3.438 -12.488 1.00 26.19 C ATOM 2163 CG ASP A 223A 46.302 2.624 -12.883 1.00 29.01 C ATOM 2164 OD1 ASP A 223A 46.198 1.379 -12.906 1.00 30.86 O ATOM 2165 OD2 ASP A 223A 47.353 3.234 -13.164 1.00 32.89 O ATOM 2166 H ASP A 223A 43.452 1.499 -14.499 1.00 0.00 H ATOM 2167 N LYS A 224 41.447 3.379 -12.631 1.00 21.08 N ATOM 2168 CA LYS A 224 40.292 4.071 -12.051 1.00 21.17 C ATOM 2169 C LYS A 224 39.114 3.112 -12.052 1.00 19.62 C ATOM 2170 O LYS A 224 38.270 3.160 -12.949 1.00 19.71 O ATOM 2171 CB LYS A 224 39.977 5.368 -12.818 1.00 22.03 C ATOM 2172 CG LYS A 224 41.131 6.368 -12.873 1.00 22.63 C ATOM 2173 CD LYS A 224 41.556 6.885 -11.505 1.00 24.08 C ATOM 2174 CE LYS A 224 42.908 7.584 -11.591 1.00 25.30 C ATOM 2175 NZ LYS A 224 43.182 8.408 -10.380 1.00 25.53 N ATOM 2176 HZ1 LYS A 224 42.444 9.134 -10.282 1.00 0.00 H ATOM 2177 HZ2 LYS A 224 43.183 7.796 -9.539 1.00 0.00 H ATOM 2178 HZ3 LYS A 224 44.110 8.867 -10.477 1.00 0.00 H ATOM 2179 H LYS A 224 41.335 2.861 -13.526 1.00 0.00 H ATOM 2180 N PRO A 225 39.081 2.206 -11.058 1.00 19.08 N ATOM 2181 CA PRO A 225 37.985 1.255 -10.959 1.00 18.85 C ATOM 2182 C PRO A 225 36.616 1.878 -10.752 1.00 18.11 C ATOM 2183 O PRO A 225 36.486 3.041 -10.316 1.00 18.22 O ATOM 2184 CB PRO A 225 38.330 0.441 -9.710 1.00 19.26 C ATOM 2185 CG PRO A 225 39.793 0.630 -9.486 1.00 18.93 C ATOM 2186 CD PRO A 225 40.096 1.995 -10.000 1.00 19.42 C ATOM 2187 N GLY A 226 35.594 1.075 -11.012 1.00 17.77 N ATOM 2188 CA GLY A 226 34.255 1.414 -10.566 1.00 17.06 C ATOM 2189 C GLY A 226 34.232 1.235 -9.066 1.00 16.23 C ATOM 2190 O GLY A 226 34.913 0.340 -8.527 1.00 15.74 O ATOM 2191 H GLY A 226 35.753 0.194 -11.541 1.00 0.00 H ATOM 2192 N VAL A 227 33.480 2.097 -8.387 1.00 16.04 N ATOM 2193 CA VAL A 227 33.312 1.992 -6.946 1.00 16.11 C ATOM 2194 C VAL A 227 31.842 1.743 -6.634 1.00 16.23 C ATOM 2195 O VAL A 227 30.955 2.398 -7.192 1.00 16.26 O ATOM 2196 CB VAL A 227 33.846 3.225 -6.209 1.00 16.94 C ATOM 2197 CG1 VAL A 227 33.828 2.979 -4.702 1.00 17.44 C ATOM 2198 CG2 VAL A 227 35.270 3.542 -6.687 1.00 17.41 C ATOM 2199 H VAL A 227 33.000 2.865 -8.899 1.00 0.00 H ATOM 2200 N TYR A 228 31.616 0.766 -5.756 1.00 17.01 N ATOM 2201 CA TYR A 228 30.295 0.223 -5.462 1.00 16.82 C ATOM 2202 C TYR A 228 30.058 0.305 -3.966 1.00 17.70 C ATOM 2203 O TYR A 228 30.965 0.095 -3.163 1.00 18.35 O ATOM 2204 CB TYR A 228 30.185 -1.231 -5.949 1.00 17.50 C ATOM 2205 CG TYR A 228 30.439 -1.329 -7.432 1.00 18.15 C ATOM 2206 CD1 TYR A 228 31.732 -1.297 -7.931 1.00 18.58 C ATOM 2207 CD2 TYR A 228 29.395 -1.372 -8.338 1.00 18.66 C ATOM 2208 CE1 TYR A 228 31.981 -1.339 -9.288 1.00 19.34 C ATOM 2209 CE2 TYR A 228 29.636 -1.424 -9.701 1.00 19.40 C ATOM 2210 CZ TYR A 228 30.931 -1.390 -10.171 1.00 20.10 C ATOM 2211 OH TYR A 228 31.169 -1.428 -11.537 1.00 21.58 O ATOM 2212 HH TYR A 228 32.145 -1.396 -11.702 1.00 0.00 H ATOM 2213 H TYR A 228 32.432 0.366 -5.250 1.00 0.00 H ATOM 2214 N THR A 229 28.829 0.616 -3.596 1.00 17.96 N ATOM 2215 CA THR A 229 28.452 0.575 -2.199 1.00 17.53 C ATOM 2216 C THR A 229 28.494 -0.877 -1.753 1.00 17.71 C ATOM 2217 O THR A 229 27.914 -1.747 -2.391 1.00 17.65 O ATOM 2218 CB THR A 229 27.067 1.200 -1.999 1.00 17.28 C ATOM 2219 OG1 THR A 229 27.112 2.559 -2.439 1.00 17.65 O ATOM 2220 CG2 THR A 229 26.666 1.150 -0.523 1.00 17.89 C ATOM 2221 HG1 THR A 229 26.222 2.974 -2.315 1.00 0.00 H ATOM 2222 H THR A 229 28.128 0.892 -4.313 1.00 0.00 H ATOM 2223 N ARG A 230 29.217 -1.140 -0.660 1.00 18.79 N ATOM 2224 CA ARG A 230 29.428 -2.491 -0.173 1.00 20.43 C ATOM 2225 C ARG A 230 28.235 -2.955 0.666 1.00 20.64 C ATOM 2226 O ARG A 230 28.173 -2.690 1.857 1.00 19.02 O ATOM 2227 CB ARG A 230 30.726 -2.531 0.640 1.00 22.76 C ATOM 2228 CG ARG A 230 31.249 -3.912 0.978 1.00 25.40 C ATOM 2229 CD ARG A 230 32.598 -3.778 1.669 1.00 28.96 C ATOM 2230 NE ARG A 230 33.280 -5.056 1.790 1.00 34.14 N ATOM 2231 CZ ARG A 230 34.493 -5.231 2.318 1.00 36.99 C ATOM 2232 NH1 ARG A 230 35.179 -4.201 2.807 1.00 39.29 N ATOM 2233 NH2 ARG A 230 35.016 -6.453 2.369 1.00 37.27 N ATOM 2234 HE ARG A 230 32.784 -5.900 1.438 1.00 0.00 H ATOM 2235 HH12 ARG A 230 36.123 -4.352 3.216 1.00 0.00 H ATOM 2236 HH11 ARG A 230 34.771 -3.245 2.781 1.00 0.00 H ATOM 2237 HH22 ARG A 230 35.961 -6.598 2.779 1.00 0.00 H ATOM 2238 HH21 ARG A 230 34.480 -7.264 1.999 1.00 0.00 H ATOM 2239 H ARG A 230 29.644 -0.347 -0.139 1.00 0.00 H ATOM 2240 N VAL A 231 27.310 -3.679 0.034 1.00 21.10 N ATOM 2241 CA VAL A 231 25.990 -3.965 0.606 1.00 21.81 C ATOM 2242 C VAL A 231 26.083 -4.718 1.945 1.00 22.43 C ATOM 2243 O VAL A 231 25.273 -4.488 2.828 1.00 22.43 O ATOM 2244 CB VAL A 231 25.106 -4.752 -0.388 1.00 22.02 C ATOM 2245 CG1 VAL A 231 23.833 -5.246 0.266 1.00 22.72 C ATOM 2246 CG2 VAL A 231 24.751 -3.871 -1.576 1.00 22.36 C ATOM 2247 H VAL A 231 27.535 -4.058 -0.908 1.00 0.00 H ATOM 2248 N SER A 232 27.094 -5.575 2.071 1.00 24.01 N ATOM 2249 CA SER A 232 27.304 -6.414 3.267 1.00 26.35 C ATOM 2250 C SER A 232 27.708 -5.634 4.515 1.00 27.77 C ATOM 2251 O SER A 232 27.782 -6.220 5.609 1.00 30.27 O ATOM 2252 CB SER A 232 28.360 -7.482 2.983 1.00 27.24 C ATOM 2253 OG SER A 232 29.666 -6.909 2.893 1.00 28.55 O ATOM 2254 HG SER A 232 30.326 -7.623 2.709 1.00 0.00 H ATOM 2255 H SER A 232 27.771 -5.658 1.286 1.00 0.00 H ATOM 2256 N HIS A 233 27.994 -4.344 4.351 1.00 26.18 N ATOM 2257 CA HIS A 233 28.241 -3.432 5.467 1.00 26.95 C ATOM 2258 C HIS A 233 27.049 -2.535 5.777 1.00 27.27 C ATOM 2259 O HIS A 233 27.171 -1.598 6.569 1.00 26.23 O ATOM 2260 CB HIS A 233 29.455 -2.564 5.153 1.00 28.77 C ATOM 2261 CG HIS A 233 30.756 -3.295 5.254 1.00 30.07 C ATOM 2262 ND1 HIS A 233 31.874 -2.744 5.843 1.00 31.61 N ATOM 2263 CD2 HIS A 233 31.113 -4.537 4.855 1.00 32.05 C ATOM 2264 CE1 HIS A 233 32.866 -3.614 5.797 1.00 32.56 C ATOM 2265 NE2 HIS A 233 32.433 -4.710 5.201 1.00 33.12 N ATOM 2266 H HIS A 233 28.044 -3.967 3.383 1.00 0.00 H ATOM 2267 N PHE A 234 25.897 -2.808 5.154 1.00 25.32 N ATOM 2268 CA PHE A 234 24.696 -1.976 5.362 1.00 24.01 C ATOM 2269 C PHE A 234 23.466 -2.779 5.768 1.00 24.55 C ATOM 2270 O PHE A 234 22.344 -2.279 5.708 1.00 24.70 O ATOM 2271 CB PHE A 234 24.374 -1.162 4.098 1.00 23.64 C ATOM 2272 CG PHE A 234 25.321 -0.024 3.861 1.00 22.28 C ATOM 2273 CD1 PHE A 234 25.074 1.233 4.407 1.00 22.83 C ATOM 2274 CD2 PHE A 234 26.476 -0.215 3.115 1.00 21.63 C ATOM 2275 CE1 PHE A 234 25.958 2.282 4.201 1.00 22.40 C ATOM 2276 CE2 PHE A 234 27.362 0.825 2.903 1.00 21.44 C ATOM 2277 CZ PHE A 234 27.111 2.076 3.451 1.00 22.18 C ATOM 2278 H PHE A 234 25.847 -3.623 4.510 1.00 0.00 H ATOM 2279 N LEU A 235 23.663 -4.020 6.197 1.00 26.32 N ATOM 2280 CA LEU A 235 22.516 -4.896 6.496 1.00 27.49 C ATOM 2281 C LEU A 235 21.644 -4.407 7.658 1.00 27.89 C ATOM 2282 O LEU A 235 20.417 -4.481 7.578 1.00 27.12 O ATOM 2283 CB LEU A 235 22.981 -6.339 6.687 1.00 29.17 C ATOM 2284 CG LEU A 235 23.569 -6.945 5.408 1.00 31.72 C ATOM 2285 CD1 LEU A 235 24.440 -8.143 5.732 1.00 33.27 C ATOM 2286 CD2 LEU A 235 22.480 -7.321 4.411 1.00 32.66 C ATOM 2287 H LEU A 235 24.632 -4.376 6.323 1.00 0.00 H ATOM 2288 N PRO A 236 22.258 -3.873 8.732 1.00 29.13 N ATOM 2289 CA PRO A 236 21.430 -3.266 9.778 1.00 29.84 C ATOM 2290 C PRO A 236 20.541 -2.132 9.273 1.00 29.46 C ATOM 2291 O PRO A 236 19.358 -2.064 9.633 1.00 29.80 O ATOM 2292 CB PRO A 236 22.466 -2.743 10.778 1.00 30.62 C ATOM 2293 CG PRO A 236 23.609 -3.694 10.629 1.00 30.51 C ATOM 2294 CD PRO A 236 23.664 -4.014 9.159 1.00 30.20 C ATOM 2295 N TRP A 237 21.102 -1.257 8.437 1.00 28.02 N ATOM 2296 CA TRP A 237 20.331 -0.178 7.823 1.00 26.61 C ATOM 2297 C TRP A 237 19.199 -0.710 6.943 1.00 27.31 C ATOM 2298 O TRP A 237 18.057 -0.247 7.040 1.00 27.03 O ATOM 2299 CB TRP A 237 21.235 0.710 6.972 1.00 26.33 C ATOM 2300 CG TRP A 237 20.559 1.936 6.454 1.00 26.01 C ATOM 2301 CD1 TRP A 237 20.373 3.114 7.114 1.00 26.23 C ATOM 2302 CD2 TRP A 237 19.988 2.109 5.153 1.00 24.85 C ATOM 2303 NE1 TRP A 237 19.723 4.015 6.305 1.00 26.29 N ATOM 2304 CE2 TRP A 237 19.469 3.423 5.096 1.00 24.97 C ATOM 2305 CE3 TRP A 237 19.862 1.280 4.031 1.00 24.01 C ATOM 2306 CZ2 TRP A 237 18.842 3.930 3.964 1.00 23.45 C ATOM 2307 CZ3 TRP A 237 19.224 1.789 2.900 1.00 23.10 C ATOM 2308 CH2 TRP A 237 18.722 3.092 2.879 1.00 23.05 C ATOM 2309 HE1 TRP A 237 19.466 4.988 6.568 1.00 0.00 H ATOM 2310 H TRP A 237 22.115 -1.345 8.216 1.00 0.00 H ATOM 2311 N ILE A 238 19.520 -1.666 6.073 1.00 27.69 N ATOM 2312 CA ILE A 238 18.517 -2.238 5.175 1.00 28.17 C ATOM 2313 C ILE A 238 17.373 -2.882 5.967 1.00 31.72 C ATOM 2314 O ILE A 238 16.203 -2.534 5.773 1.00 31.04 O ATOM 2315 CB ILE A 238 19.144 -3.252 4.203 1.00 27.71 C ATOM 2316 CG1 ILE A 238 20.083 -2.528 3.225 1.00 26.63 C ATOM 2317 CG2 ILE A 238 18.069 -4.000 3.426 1.00 27.49 C ATOM 2318 CD1 ILE A 238 21.005 -3.451 2.450 1.00 27.02 C ATOM 2319 H ILE A 238 20.500 -2.012 6.031 1.00 0.00 H ATOM 2320 N ARG A 239 17.705 -3.805 6.870 1.00 35.97 N ATOM 2321 CA ARG A 239 16.664 -4.505 7.630 1.00 40.54 C ATOM 2322 C ARG A 239 15.892 -3.565 8.575 1.00 39.69 C ATOM 2323 O ARG A 239 14.712 -3.786 8.835 1.00 39.62 O ATOM 2324 CB ARG A 239 17.241 -5.736 8.347 1.00 45.84 C ATOM 2325 CG ARG A 239 17.993 -5.458 9.635 1.00 49.22 C ATOM 2326 CD ARG A 239 17.106 -5.637 10.863 1.00 51.70 C ATOM 2327 NE ARG A 239 17.903 -5.783 12.075 1.00 54.28 N ATOM 2328 CZ ARG A 239 18.524 -4.788 12.709 1.00 56.96 C ATOM 2329 NH1 ARG A 239 19.225 -5.050 13.808 1.00 58.30 N ATOM 2330 NH2 ARG A 239 18.456 -3.534 12.261 1.00 57.58 N ATOM 2331 HE ARG A 239 17.994 -6.738 12.476 1.00 0.00 H ATOM 2332 HH12 ARG A 239 19.713 -4.280 14.309 1.00 0.00 H ATOM 2333 HH11 ARG A 239 19.285 -6.024 14.166 1.00 0.00 H ATOM 2334 HH22 ARG A 239 18.948 -2.772 12.771 1.00 0.00 H ATOM 2335 HH21 ARG A 239 17.911 -3.318 11.402 1.00 0.00 H ATOM 2336 H ARG A 239 18.707 -4.030 7.036 1.00 0.00 H ATOM 2337 N SER A 240 16.530 -2.490 9.039 1.00 40.19 N ATOM 2338 CA SER A 240 15.837 -1.499 9.877 1.00 41.76 C ATOM 2339 C SER A 240 14.726 -0.760 9.120 1.00 43.25 C ATOM 2340 O SER A 240 13.679 -0.448 9.690 1.00 42.32 O ATOM 2341 CB SER A 240 16.815 -0.489 10.497 1.00 42.90 C ATOM 2342 OG SER A 240 17.598 0.173 9.527 1.00 47.27 O ATOM 2343 HG SER A 240 18.128 -0.493 9.021 1.00 0.00 H ATOM 2344 H SER A 240 17.534 -2.350 8.805 1.00 0.00 H ATOM 2345 N HIS A 241 14.952 -0.486 7.839 1.00 42.37 N ATOM 2346 CA HIS A 241 13.956 0.202 7.019 1.00 42.67 C ATOM 2347 C HIS A 241 13.020 -0.754 6.282 1.00 42.26 C ATOM 2348 O HIS A 241 11.933 -0.361 5.873 1.00 46.11 O ATOM 2349 CB HIS A 241 14.649 1.144 6.035 1.00 41.76 C ATOM 2350 CG HIS A 241 15.184 2.390 6.671 1.00 41.72 C ATOM 2351 ND1 HIS A 241 16.533 2.651 6.789 1.00 43.26 N ATOM 2352 CD2 HIS A 241 14.548 3.444 7.235 1.00 41.62 C ATOM 2353 CE1 HIS A 241 16.704 3.816 7.387 1.00 42.42 C ATOM 2354 NE2 HIS A 241 15.516 4.318 7.669 1.00 42.24 N ATOM 2355 H HIS A 241 15.857 -0.767 7.411 1.00 0.00 H ATOM 2356 N THR A 242 13.438 -2.004 6.129 1.00 43.54 N ATOM 2357 CA THR A 242 12.647 -3.019 5.434 1.00 44.56 C ATOM 2358 C THR A 242 11.845 -3.844 6.444 1.00 46.13 C ATOM 2359 O THR A 242 10.836 -4.465 6.103 1.00 45.72 O ATOM 2360 CB THR A 242 13.568 -3.912 4.576 1.00 45.58 C ATOM 2361 OG1 THR A 242 14.007 -3.162 3.428 1.00 46.38 O ATOM 2362 CG2 THR A 242 12.867 -5.174 4.103 1.00 48.13 C ATOM 2363 OXT THR A 242 12.176 -3.894 7.632 1.00 44.27 O ATOM 2364 HG1 THR A 242 14.599 -3.728 2.872 1.00 0.00 H ATOM 2365 H THR A 242 14.364 -2.272 6.518 1.00 0.00 H TER 2366 THR A 242 HETATM 2367 O HOH 1 15.603 8.891 -20.846 1.00 35.60 O HETATM 2368 O HOH 2 37.606 -1.504 -15.966 1.00 23.38 O HETATM 2369 O HOH 3 21.020 1.564 -15.400 1.00 15.72 O HETATM 2370 O HOH 4 40.619 -5.960 -12.193 1.00 30.24 O HETATM 2371 O HOH 5 36.983 4.690 -14.878 1.00 20.11 O HETATM 2372 O HOH 6 13.509 -3.921 -15.435 1.00 20.26 O HETATM 2373 O HOH 7 51.508 1.075 -15.387 1.00 52.88 O HETATM 2374 O HOH 8 22.314 -0.026 -13.563 1.00 15.26 O HETATM 2375 O HOH 9 30.503 -0.082 -25.141 1.00 23.88 O HETATM 2376 O HOH 10 32.244 7.788 -13.478 1.00 19.21 O HETATM 2377 O HOH 11 8.606 -7.255 0.583 1.00 35.38 O HETATM 2378 O HOH 12 24.537 -0.022 -20.591 1.00 21.04 O HETATM 2379 O HOH 13 28.621 4.299 -0.925 1.00 22.14 O HETATM 2380 O HOH 14 33.465 -1.548 -12.516 1.00 22.62 O HETATM 2381 O HOH 15 9.476 4.875 -21.288 1.00 53.95 O HETATM 2382 O HOH 16 24.111 9.035 -11.409 1.00 25.77 O HETATM 2383 O HOH 17 28.775 -6.465 -0.089 1.00 22.79 O HETATM 2384 O HOH 18 21.213 -10.930 4.815 1.00 39.67 O HETATM 2385 O HOH 19 20.856 -2.213 -6.713 1.00 19.34 O HETATM 2386 O HOH 20 27.354 15.951 0.679 1.00 34.93 O HETATM 2387 O HOH 21 6.196 -10.895 -15.234 1.00 21.64 O HETATM 2388 O HOH 22 43.268 -6.592 -5.928 1.00 27.10 O HETATM 2389 O HOH 23 12.879 -7.021 -13.194 1.00 19.10 O HETATM 2390 O HOH 24 1.959 -2.914 -14.862 1.00 33.17 O HETATM 2391 O HOH 25 5.833 7.331 -7.520 1.00 19.62 O HETATM 2392 O HOH 26 37.156 9.246 2.327 1.00 38.93 O HETATM 2393 O HOH 27 3.609 7.471 -5.143 1.00 40.04 O HETATM 2394 O HOH 28 51.266 2.442 -5.466 1.00 33.07 O HETATM 2395 O HOH 29 18.186 10.502 -18.467 1.00 38.48 O HETATM 2396 O HOH 30 -2.866 3.965 -7.274 1.00 28.49 O HETATM 2397 O HOH 31 34.368 5.598 -23.364 1.00 31.40 O HETATM 2398 O HOH 32 9.197 9.040 0.918 1.00 29.82 O HETATM 2399 O HOH 33 14.765 -15.500 -6.054 1.00 38.27 O HETATM 2400 O HOH 34 37.725 -2.468 -2.836 1.00 29.63 O HETATM 2401 O HOH 35 36.655 -8.031 -16.612 1.00 39.55 O HETATM 2402 O HOH 36 7.667 -13.244 -17.620 1.00 33.49 O HETATM 2403 O HOH 37 24.308 2.506 7.789 1.00 32.97 O HETATM 2404 O HOH 38 19.509 -14.522 -5.256 1.00 26.55 O HETATM 2405 O HOH 39 29.989 10.445 -18.835 1.00 38.79 O HETATM 2406 O HOH 40 11.487 -13.838 -6.436 1.00 43.25 O HETATM 2407 O HOH 41 22.775 -8.053 -12.184 1.00 37.00 O HETATM 2408 O HOH 42 24.050 -0.394 8.384 1.00 32.04 O HETATM 2409 O HOH 43 24.597 -10.379 -26.477 1.00 33.63 O HETATM 2410 O HOH 44 37.278 -1.676 -0.029 1.00 47.40 O HETATM 2411 O HOH 45 44.589 -5.624 -10.318 1.00 45.25 O HETATM 2412 O HOH 46 25.425 5.284 -24.849 1.00 24.32 O HETATM 2413 O HOH 47 25.215 9.730 -27.493 1.00 24.96 O HETATM 2414 O HOH 48 43.975 7.219 -16.025 1.00 36.36 O HETATM 2415 O HOH 49 28.161 4.389 -28.154 1.00 38.74 O HETATM 2416 O HOH 50 -1.227 -4.679 -10.010 1.00 36.47 O HETATM 2417 O HOH 51 4.817 -10.863 -12.728 1.00 31.30 O HETATM 2418 O HOH 52 -4.334 -4.187 -3.277 1.00 37.93 O HETATM 2419 O HOH 53 27.397 -3.747 9.575 1.00 42.73 O HETATM 2420 O HOH 54 16.926 -10.421 -0.991 1.00 27.50 O HETATM 2421 O HOH 55 8.866 -9.046 -18.533 1.00 29.26 O HETATM 2422 O HOH 56 30.373 4.990 2.794 1.00 34.65 O HETATM 2423 O HOH 57 19.048 8.194 -23.789 1.00 36.55 O HETATM 2424 O HOH 58 24.422 3.587 -26.908 1.00 31.09 O HETATM 2425 O HOH 59 33.958 -5.993 -22.972 1.00 34.23 O HETATM 2426 O HOH 60 4.005 -1.674 -1.342 1.00 31.69 O HETATM 2427 O HOH 61 28.882 11.150 5.080 1.00 42.13 O HETATM 2428 O HOH 62 2.778 -3.648 0.506 1.00 42.33 O HETATM 2429 O HOH 63 18.034 -11.800 0.925 1.00 31.76 O HETATM 2430 O HOH 64 36.058 8.461 -19.234 1.00 29.58 O HETATM 2431 O HOH 65 36.032 11.178 0.608 1.00 33.18 O HETATM 2432 O HOH 66 26.131 -5.027 7.562 1.00 33.68 O HETATM 2433 O HOH 67 25.989 -8.095 -27.153 1.00 35.96 O HETATM 2434 O HOH 68 2.607 -7.215 -15.112 1.00 42.97 O HETATM 2435 O HOH 69 20.422 2.308 -28.463 1.00 36.04 O HETATM 2436 O HOH 70 20.767 -0.481 -27.763 1.00 36.22 O HETATM 2437 O HOH 71 45.301 9.722 -0.517 1.00 42.41 O HETATM 2438 O HOH 72 18.205 6.422 -26.344 1.00 39.46 O HETATM 2439 O HOH 73 34.135 11.080 -13.764 1.00 38.18 O HETATM 2440 O HOH 74 20.349 11.865 2.422 1.00 40.08 O HETATM 2441 O HOH 75 4.224 -15.731 -12.561 1.00 47.66 O HETATM 2442 O HOH 76 31.482 -19.843 -3.173 1.00 48.24 O HETATM 2443 O HOH 77 37.819 2.997 5.548 1.00 45.26 O HETATM 2444 O HOH 78 32.753 -17.868 -0.727 1.00 44.08 O HETATM 2445 O HOH 79 41.939 -7.993 -7.872 1.00 43.19 O HETATM 2446 O HOH 80 9.436 -17.737 -9.234 1.00 44.17 O HETATM 2447 O HOH 81 2.892 -5.965 -18.985 1.00 55.77 O HETATM 2448 O HOH 82 3.060 -7.753 -21.059 1.00 47.94 O HETATM 2449 O HOH 83 43.869 -3.466 -11.648 1.00 42.03 O HETATM 2450 O HOH 84 29.334 -2.954 -26.376 1.00 34.48 O HETATM 2451 O HOH 85 1.076 -4.941 -1.299 1.00 37.96 O HETATM 2452 O HOH 86 0.952 -0.197 -11.819 1.00 41.51 O HETATM 2453 O HOH 87 30.511 8.874 -28.212 1.00 36.68 O HETATM 2454 O HOH 88 6.873 -16.621 -15.925 1.00 39.10 O HETATM 2455 O HOH 89 37.733 1.190 -14.850 1.00 28.60 O HETATM 2456 O HOH 90 28.718 13.243 -22.301 1.00 49.20 O HETATM 2457 O HOH 91 32.422 10.227 -16.549 1.00 37.81 O HETATM 2458 O HOH 92 22.671 13.615 2.914 1.00 35.79 O HETATM 2459 O HOH 93 27.076 3.724 7.593 1.00 45.12 O HETATM 2460 O HOH 94 21.454 -13.574 3.499 1.00 51.87 O HETATM 2461 O HOH 95 29.626 3.172 1.097 1.00 32.63 O HETATM 2462 O HOH 96 22.744 -12.779 -14.811 1.00 37.50 O HETATM 2463 O HOH 97 40.781 17.447 -2.936 1.00 35.96 O HETATM 2464 O HOH 98 3.041 14.713 -7.416 1.00 49.81 O HETATM 2465 O HOH 99 41.785 14.727 -3.014 1.00 42.35 O HETATM 2466 O HOH 100 -4.543 -0.722 -11.557 1.00 40.76 O HETATM 2467 O HOH 101 29.063 -19.830 -6.066 1.00 44.84 O HETATM 2468 O HOH 102 17.896 -16.581 -3.564 1.00 43.21 O HETATM 2469 O HOH 103 9.630 18.675 -13.872 1.00 44.78 O HETATM 2470 O HOH 104 35.722 13.547 -13.369 1.00 24.73 O HETATM 2471 O HOH 105 25.820 14.212 -10.401 1.00 40.53 O HETATM 2472 O HOH 106 22.547 7.116 -13.176 1.00 40.16 O HETATM 2473 O HOH 107 27.355 12.123 -13.178 1.00 32.87 O HETATM 2474 O HOH 108 27.234 26.019 -8.449 1.00 49.42 O HETATM 2475 O HOH 109 24.276 9.252 -14.128 1.00 32.06 O HETATM 2476 O HOH 110 42.955 11.810 -13.006 1.00 47.18 O HETATM 2477 O HOH 111 43.953 18.685 -14.479 1.00 40.48 O HETATM 2478 N THR A 112 28.322 25.706 -5.653 1.00 0.24 N HETATM 2479 CA THR A 112 29.596 24.962 -5.433 1.00 0.09 C HETATM 2480 C THR A 112 29.668 23.741 -6.343 1.00 0.23 C HETATM 2481 O THR A 112 28.936 22.769 -6.147 1.00 -0.39 O HETATM 2482 N THR A 112 30.549 23.806 -7.335 1.00 -0.26 N HETATM 2483 CA THR A 112 30.861 22.655 -8.167 1.00 0.14 C HETATM 2484 C THR A 112 31.849 21.777 -7.412 1.00 0.20 C HETATM 2485 O THR A 112 32.874 22.262 -6.911 1.00 -0.39 O HETATM 2486 N THR A 112 31.517 20.492 -7.297 1.00 -0.26 N HETATM 2487 CA THR A 112 32.444 19.494 -6.783 1.00 0.13 C HETATM 2488 C THR A 112 32.606 18.398 -7.817 1.00 0.20 C HETATM 2489 O THR A 112 31.670 18.048 -8.523 1.00 -0.39 O HETATM 2490 N THR A 112 33.802 17.846 -7.896 1.00 -0.26 N HETATM 2491 CA THR A 112 34.069 16.796 -8.870 1.00 0.13 C HETATM 2492 C THR A 112 33.156 15.562 -8.693 1.00 0.20 C HETATM 2493 O THR A 112 32.865 14.856 -9.662 1.00 -0.39 O HETATM 2494 N THR A 112 32.694 15.313 -7.471 1.00 -0.26 N HETATM 2495 CA THR A 112 31.781 14.188 -7.208 1.00 0.15 C HETATM 2496 C THR A 112 30.472 14.263 -8.008 1.00 0.21 C HETATM 2497 O THR A 112 29.839 13.240 -8.253 1.00 -0.39 O HETATM 2498 N THR A 112 30.083 15.463 -8.434 1.00 -0.26 N HETATM 2499 CA THR A 112 28.964 15.617 -9.378 1.00 0.13 C HETATM 2500 C THR A 112 29.230 14.852 -10.684 1.00 0.20 C HETATM 2501 O THR A 112 28.300 14.336 -11.301 1.00 -0.39 O HETATM 2502 N THR A 112 30.498 14.790 -11.085 1.00 -0.26 N HETATM 2503 CA THR A 112 30.930 14.100 -12.306 1.00 0.14 C HETATM 2504 C THR A 112 31.305 12.622 -12.071 1.00 0.20 C HETATM 2505 O THR A 112 31.170 11.793 -12.963 1.00 -0.39 O HETATM 2506 N THR A 112 31.759 12.273 -10.872 1.00 -0.26 N HETATM 2507 CA THR A 112 32.092 10.874 -10.602 1.00 0.16 C HETATM 2508 C THR A 112 30.851 10.001 -10.390 1.00 0.21 C HETATM 2509 O THR A 112 30.910 8.796 -10.552 1.00 -0.39 O HETATM 2510 N THR A 112 29.742 10.622 -10.020 1.00 -0.26 N HETATM 2511 CA THR A 112 28.509 9.902 -9.792 1.00 0.13 C HETATM 2512 C THR A 112 28.143 9.120 -11.044 1.00 0.20 C HETATM 2513 O THR A 112 28.147 9.674 -12.138 1.00 -0.39 O HETATM 2514 N THR A 112 27.824 7.845 -10.871 1.00 -0.27 N HETATM 2515 CA THR A 112 27.459 6.985 -11.994 1.00 0.12 C HETATM 2516 C THR A 112 25.988 6.613 -11.966 1.00 0.21 C HETATM 2517 O THR A 112 25.309 6.598 -12.993 1.00 -0.41 O HETATM 2518 O1 THR A 112 25.450 6.313 -10.867 1.00 -0.41 O HETATM 2519 CB THR A 112 28.319 5.749 -11.991 1.00 -0.01 C HETATM 2520 CG THR A 112 29.713 6.046 -12.505 1.00 -0.02 C HETATM 2521 CD THR A 112 30.525 4.793 -12.490 1.00 0.06 C HETATM 2522 NE THR A 112 31.875 4.982 -13.010 1.00 -0.27 N HETATM 2523 CZ THR A 112 32.733 3.985 -13.184 1.00 0.29 C HETATM 2524 NH1 THR A 112 32.373 2.746 -12.860 1.00 -0.28 N HETATM 2525 H THR A 112 33.033 1.967 -12.992 1.00 0.26 H HETATM 2526 H THR A 112 31.434 2.566 -12.477 1.00 0.26 H HETATM 2527 NH2 THR A 112 33.955 4.224 -13.652 1.00 -0.28 N HETATM 2528 H THR A 112 34.232 5.184 -13.902 1.00 0.26 H HETATM 2529 H THR A 112 34.624 3.449 -13.764 1.00 0.26 H HETATM 2530 H THR A 112 32.177 5.936 -13.254 1.00 0.26 H HETATM 2531 H THR A 112 30.015 4.037 -13.106 1.00 0.07 H HETATM 2532 H THR A 112 30.596 4.434 -11.453 1.00 0.07 H HETATM 2533 H THR A 112 30.189 6.799 -11.860 1.00 0.03 H HETATM 2534 H THR A 112 29.651 6.430 -13.534 1.00 0.03 H HETATM 2535 H THR A 112 27.855 4.988 -12.635 1.00 0.03 H HETATM 2536 H THR A 112 28.391 5.365 -10.963 1.00 0.03 H HETATM 2537 H THR A 112 27.651 7.538 -12.925 1.00 0.08 H HETATM 2538 H THR A 112 27.834 7.462 -9.947 1.00 0.19 H HETATM 2539 CB THR A 112 27.392 10.867 -9.458 1.00 -0.02 C HETATM 2540 H THR A 112 26.461 10.306 -9.287 1.00 0.03 H HETATM 2541 H THR A 112 27.250 11.567 -10.294 1.00 0.03 H HETATM 2542 H THR A 112 27.653 11.430 -8.549 1.00 0.03 H HETATM 2543 H THR A 112 28.647 9.204 -8.953 1.00 0.08 H HETATM 2544 H THR A 112 29.757 11.614 -9.895 1.00 0.19 H HETATM 2545 CB THR A 112 32.972 10.717 -9.370 1.00 0.09 C HETATM 2546 OG1 THR A 112 32.276 11.227 -8.241 1.00 -0.39 O HETATM 2547 H THR A 112 32.819 11.133 -7.467 1.00 0.21 H HETATM 2548 CG2 THR A 112 34.298 11.459 -9.546 1.00 -0.03 C HETATM 2549 H THR A 112 34.913 11.329 -8.643 1.00 0.03 H HETATM 2550 H THR A 112 34.101 12.530 -9.705 1.00 0.03 H HETATM 2551 H THR A 112 34.833 11.052 -10.416 1.00 0.03 H HETATM 2552 H THR A 112 33.182 9.649 -9.213 1.00 0.06 H HETATM 2553 H THR A 112 32.642 10.491 -11.475 1.00 0.08 H HETATM 2554 H THR A 112 31.873 12.963 -10.157 1.00 0.19 H HETATM 2555 CB THR A 112 32.106 14.860 -12.941 1.00 0.03 C HETATM 2556 SG THR A 112 31.636 16.348 -13.894 1.00 -0.17 S HETATM 2557 H THR A 112 32.465 16.780 -14.271 1.00 0.10 H HETATM 2558 H THR A 112 32.631 14.172 -13.619 1.00 0.04 H HETATM 2559 H THR A 112 32.787 15.171 -12.135 1.00 0.04 H HETATM 2560 H THR A 112 30.088 14.118 -13.014 1.00 0.08 H HETATM 2561 H THR A 112 31.194 15.238 -10.524 1.00 0.19 H HETATM 2562 CB THR A 112 28.712 17.103 -9.695 1.00 -0.00 C HETATM 2563 CG THR A 112 28.270 17.945 -8.498 1.00 -0.00 C HETATM 2564 SD THR A 112 28.136 19.712 -8.873 1.00 -0.16 S HETATM 2565 CE THR A 112 26.473 19.769 -9.537 1.00 -0.02 C HETATM 2566 H THR A 112 26.227 20.803 -9.822 1.00 0.03 H HETATM 2567 H THR A 112 25.761 19.420 -8.774 1.00 0.03 H HETATM 2568 H THR A 112 26.409 19.119 -10.422 1.00 0.03 H HETATM 2569 H THR A 112 29.005 17.815 -7.690 1.00 0.04 H HETATM 2570 H THR A 112 27.287 17.584 -8.162 1.00 0.04 H HETATM 2571 H THR A 112 27.927 17.161 -10.463 1.00 0.03 H HETATM 2572 H THR A 112 29.645 17.532 -10.090 1.00 0.03 H HETATM 2573 H THR A 112 28.060 15.202 -8.909 1.00 0.08 H HETATM 2574 H THR A 112 30.561 16.277 -8.105 1.00 0.19 H HETATM 2575 CB THR A 112 31.486 14.032 -5.715 1.00 0.08 C HETATM 2576 OG THR A 112 30.999 15.239 -5.135 1.00 -0.39 O HETATM 2577 H THR A 112 31.649 15.924 -5.238 1.00 0.21 H HETATM 2578 H THR A 112 32.413 13.739 -5.199 1.00 0.06 H HETATM 2579 H THR A 112 30.729 13.245 -5.583 1.00 0.06 H HETATM 2580 H THR A 112 32.303 13.276 -7.534 1.00 0.08 H HETATM 2581 H THR A 112 32.973 15.903 -6.713 1.00 0.19 H HETATM 2582 CB THR A 112 35.537 16.408 -8.816 1.00 0.00 C HETATM 2583 CG THR A 112 35.931 15.440 -9.908 1.00 0.04 C HETATM 2584 CD THR A 112 37.422 15.364 -10.088 1.00 0.17 C HETATM 2585 OE1 THR A 112 38.187 15.980 -9.336 1.00 -0.40 O HETATM 2586 NE2 THR A 112 37.851 14.606 -11.088 1.00 -0.30 N HETATM 2587 H THR A 112 38.832 14.514 -11.261 1.00 0.18 H HETATM 2588 H THR A 112 37.194 14.127 -11.669 1.00 0.18 H HETATM 2589 H THR A 112 35.476 15.769 -10.854 1.00 0.05 H HETATM 2590 H THR A 112 35.554 14.440 -9.648 1.00 0.05 H HETATM 2591 H THR A 112 35.740 15.940 -7.842 1.00 0.03 H HETATM 2592 H THR A 112 36.145 17.319 -8.919 1.00 0.03 H HETATM 2593 H THR A 112 33.866 17.211 -9.868 1.00 0.08 H HETATM 2594 H THR A 112 34.531 18.151 -7.283 1.00 0.19 H HETATM 2595 CB THR A 112 31.942 18.885 -5.474 1.00 -0.01 C HETATM 2596 CG THR A 112 31.982 19.835 -4.296 1.00 -0.02 C HETATM 2597 CD THR A 112 31.481 19.156 -3.026 1.00 0.06 C HETATM 2598 NE THR A 112 30.614 20.052 -2.265 1.00 -0.27 N HETATM 2599 CZ THR A 112 29.310 20.223 -2.479 1.00 0.29 C HETATM 2600 NH1 THR A 112 28.671 19.553 -3.432 1.00 -0.28 N HETATM 2601 H THR A 112 27.662 19.702 -3.579 1.00 0.26 H HETATM 2602 H THR A 112 29.184 18.884 -4.024 1.00 0.26 H HETATM 2603 NH2 THR A 112 28.635 21.080 -1.726 1.00 -0.28 N HETATM 2604 H THR A 112 29.119 21.606 -0.984 1.00 0.26 H HETATM 2605 H THR A 112 27.627 21.220 -1.883 1.00 0.26 H HETATM 2606 H THR A 112 31.045 20.595 -1.503 1.00 0.26 H HETATM 2607 H THR A 112 32.343 18.874 -2.404 1.00 0.07 H HETATM 2608 H THR A 112 30.915 18.253 -3.299 1.00 0.07 H HETATM 2609 H THR A 112 31.345 20.704 -4.514 1.00 0.03 H HETATM 2610 H THR A 112 33.018 20.170 -4.139 1.00 0.03 H HETATM 2611 H THR A 112 32.569 18.013 -5.236 1.00 0.03 H HETATM 2612 H THR A 112 30.901 18.560 -5.621 1.00 0.03 H HETATM 2613 H THR A 112 33.418 19.971 -6.602 1.00 0.08 H HETATM 2614 H THR A 112 30.600 20.203 -7.573 1.00 0.19 H HETATM 2615 CB THR A 112 31.451 23.102 -9.510 1.00 0.03 C HETATM 2616 SG THR A 112 31.703 21.756 -10.703 1.00 -0.17 S HETATM 2617 H THR A 112 32.091 22.131 -11.554 1.00 0.10 H HETATM 2618 H THR A 112 32.424 23.578 -9.317 1.00 0.04 H HETATM 2619 H THR A 112 30.766 23.836 -9.959 1.00 0.04 H HETATM 2620 H THR A 112 29.940 22.084 -8.357 1.00 0.08 H HETATM 2621 H THR A 112 31.012 24.674 -7.515 1.00 0.19 H HETATM 2622 CB THR A 112 29.740 24.473 -3.973 1.00 0.11 C HETATM 2623 OG1 THR A 112 29.550 25.570 -3.076 1.00 -0.38 O HETATM 2624 H THR A 112 29.639 25.265 -2.181 1.00 0.21 H HETATM 2625 CG2 THR A 112 31.127 23.857 -3.738 1.00 -0.03 C HETATM 2626 H THR A 112 31.205 23.517 -2.695 1.00 0.03 H HETATM 2627 H THR A 112 31.902 24.612 -3.937 1.00 0.03 H HETATM 2628 H THR A 112 31.267 23.001 -4.414 1.00 0.03 H HETATM 2629 H THR A 112 28.973 23.709 -3.777 1.00 0.07 H HETATM 2630 H THR A 112 30.434 25.636 -5.666 1.00 0.11 H HETATM 2631 H THR A 112 28.269 26.005 -6.614 1.00 0.20 H HETATM 2632 H THR A 112 28.295 26.512 -5.048 1.00 0.20 H HETATM 2633 H THR A 112 27.541 25.104 -5.446 1.00 0.20 H HETATM 2634 N THR A 113 42.416 15.036 -9.786 1.00 0.24 N HETATM 2635 CA THR A 113 42.679 16.009 -10.842 1.00 0.09 C HETATM 2636 C THR A 113 41.429 16.194 -11.698 1.00 0.23 C HETATM 2637 O THR A 113 40.758 15.215 -12.045 1.00 -0.39 O HETATM 2638 N THR A 113 41.109 17.444 -12.025 1.00 -0.26 N HETATM 2639 CA THR A 113 40.024 17.728 -12.963 1.00 0.14 C HETATM 2640 C THR A 113 40.602 17.740 -14.376 1.00 0.21 C HETATM 2641 O THR A 113 41.408 18.607 -14.700 1.00 -0.39 O HETATM 2642 N THR A 113 40.199 16.770 -15.218 1.00 -0.25 N HETATM 2643 CA THR A 113 40.829 16.586 -16.526 1.00 0.13 C HETATM 2644 C THR A 113 40.448 17.680 -17.514 1.00 0.20 C HETATM 2645 O THR A 113 39.316 18.153 -17.494 1.00 -0.39 O HETATM 2646 N THR A 113 41.411 18.079 -18.392 1.00 -0.30 N HETATM 2647 H THR A 113 41.212 18.794 -19.062 1.00 0.18 H HETATM 2648 H THR A 113 42.317 17.656 -18.367 1.00 0.18 H HETATM 2649 CB THR A 113 40.261 15.248 -16.990 1.00 -0.01 C HETATM 2650 CG THR A 113 38.894 15.219 -16.391 1.00 -0.03 C HETATM 2651 CD THR A 113 39.037 15.876 -15.045 1.00 0.04 C HETATM 2652 H THR A 113 38.134 16.450 -14.790 1.00 0.05 H HETATM 2653 H THR A 113 39.230 15.128 -14.261 1.00 0.05 H HETATM 2654 H THR A 113 38.544 14.182 -16.279 1.00 0.03 H HETATM 2655 H THR A 113 38.186 15.779 -17.020 1.00 0.03 H HETATM 2656 H THR A 113 40.871 14.412 -16.617 1.00 0.03 H HETATM 2657 H THR A 113 40.209 15.203 -18.088 1.00 0.03 H HETATM 2658 H THR A 113 41.924 16.545 -16.430 1.00 0.08 H HETATM 2659 CB THR A 113 39.339 19.057 -12.644 1.00 0.03 C HETATM 2660 SG THR A 113 37.675 19.172 -13.346 1.00 -0.17 S HETATM 2661 H THR A 113 37.271 20.064 -13.106 1.00 0.10 H HETATM 2662 H THR A 113 39.950 19.875 -13.053 1.00 0.04 H HETATM 2663 H THR A 113 39.268 19.163 -11.551 1.00 0.04 H HETATM 2664 H THR A 113 39.274 16.927 -12.891 1.00 0.08 H HETATM 2665 H THR A 113 41.620 18.203 -11.622 1.00 0.19 H HETATM 2666 CB THR A 113 43.855 15.576 -11.755 1.00 0.11 C HETATM 2667 OG1 THR A 113 43.632 14.249 -12.252 1.00 -0.38 O HETATM 2668 H THR A 113 42.825 14.231 -12.753 1.00 0.21 H HETATM 2669 CG2 THR A 113 45.187 15.616 -11.003 1.00 -0.03 C HETATM 2670 H THR A 113 45.998 15.304 -11.677 1.00 0.03 H HETATM 2671 H THR A 113 45.143 14.933 -10.142 1.00 0.03 H HETATM 2672 H THR A 113 45.378 16.640 -10.649 1.00 0.03 H HETATM 2673 H THR A 113 43.910 16.271 -12.606 1.00 0.07 H HETATM 2674 H THR A 113 42.937 16.970 -10.372 1.00 0.11 H HETATM 2675 H THR A 113 41.647 15.356 -9.218 1.00 0.20 H HETATM 2676 H THR A 113 43.238 14.933 -9.211 1.00 0.20 H HETATM 2677 H THR A 113 42.181 14.147 -10.199 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 307 306 439 CONECT 365 364 1079 CONECT 439 307 438 CONECT 1079 365 1078 CONECT 1310 1309 1961 CONECT 1627 1626 1784 CONECT 1784 1627 1783 CONECT 1886 1885 2128 CONECT 1961 1310 1960 CONECT 2128 1886 2127 CONECT 2478 2479 2631 2632 2633 CONECT 2479 2478 2480 2622 2630 CONECT 2480 2479 2481 2482 CONECT 2481 2480 CONECT 2482 2480 2483 2621 CONECT 2483 2482 2484 2615 2620 CONECT 2484 2483 2485 2486 CONECT 2485 2484 CONECT 2486 2484 2487 2614 CONECT 2487 2486 2488 2595 2613 CONECT 2488 2487 2489 2490 CONECT 2489 2488 CONECT 2490 2488 2491 2594 CONECT 2491 2490 2492 2582 2593 CONECT 2492 2491 2493 2494 CONECT 2493 2492 CONECT 2494 2492 2495 2581 CONECT 2495 2494 2496 2575 2580 CONECT 2496 2495 2497 2498 CONECT 2497 2496 CONECT 2498 2496 2499 2574 CONECT 2499 2498 2500 2562 2573 CONECT 2500 2499 2501 2502 CONECT 2501 2500 CONECT 2502 2500 2503 2561 CONECT 2503 2502 2504 2555 2560 CONECT 2504 2503 2505 2506 CONECT 2505 2504 CONECT 2506 2504 2507 2554 CONECT 2507 2506 2508 2545 2553 CONECT 2508 2507 2509 2510 CONECT 2509 2508 CONECT 2510 2508 2511 2544 CONECT 2511 2510 2512 2539 2543 CONECT 2512 2511 2513 2514 CONECT 2513 2512 CONECT 2514 2512 2515 2538 CONECT 2515 2514 2516 2519 2537 CONECT 2516 2515 2517 2518 CONECT 2517 2516 CONECT 2518 2516 CONECT 2519 2515 2520 2535 2536 CONECT 2520 2519 2521 2533 2534 CONECT 2521 2520 2522 2531 2532 CONECT 2522 2521 2523 2530 CONECT 2523 2522 2524 2527 CONECT 2524 2523 2525 2526 CONECT 2525 2524 CONECT 2526 2524 CONECT 2527 2523 2528 2529 CONECT 2528 2527 CONECT 2529 2527 CONECT 2530 2522 CONECT 2531 2521 CONECT 2532 2521 CONECT 2533 2520 CONECT 2534 2520 CONECT 2535 2519 CONECT 2536 2519 CONECT 2537 2515 CONECT 2538 2514 CONECT 2539 2511 2540 2541 2542 CONECT 2540 2539 CONECT 2541 2539 CONECT 2542 2539 CONECT 2543 2511 CONECT 2544 2510 CONECT 2545 2507 2546 2548 2552 CONECT 2546 2545 2547 CONECT 2547 2546 CONECT 2548 2545 2549 2550 2551 CONECT 2549 2548 CONECT 2550 2548 CONECT 2551 2548 CONECT 2552 2545 CONECT 2553 2507 CONECT 2554 2506 CONECT 2555 2503 2556 2558 2559 CONECT 2556 2555 2557 CONECT 2557 2556 CONECT 2558 2555 CONECT 2559 2555 CONECT 2560 2503 CONECT 2561 2502 CONECT 2562 2499 2563 2571 2572 CONECT 2563 2562 2564 2569 2570 CONECT 2564 2563 2565 CONECT 2565 2564 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 CONECT 2569 2563 CONECT 2570 2563 CONECT 2571 2562 CONECT 2572 2562 CONECT 2573 2499 CONECT 2574 2498 CONECT 2575 2495 2576 2578 2579 CONECT 2576 2575 2577 CONECT 2577 2576 CONECT 2578 2575 CONECT 2579 2575 CONECT 2580 2495 CONECT 2581 2494 CONECT 2582 2491 2583 2591 2592 CONECT 2583 2582 2584 2589 2590 CONECT 2584 2583 2585 2586 CONECT 2585 2584 CONECT 2586 2584 2587 2588 CONECT 2587 2586 CONECT 2588 2586 CONECT 2589 2583 CONECT 2590 2583 CONECT 2591 2582 CONECT 2592 2582 CONECT 2593 2491 CONECT 2594 2490 CONECT 2595 2487 2596 2611 2612 CONECT 2596 2595 2597 2609 2610 CONECT 2597 2596 2598 2607 2608 CONECT 2598 2597 2599 2606 CONECT 2599 2598 2600 2603 CONECT 2600 2599 2601 2602 CONECT 2601 2600 CONECT 2602 2600 CONECT 2603 2599 2604 2605 CONECT 2604 2603 CONECT 2605 2603 CONECT 2606 2598 CONECT 2607 2597 CONECT 2608 2597 CONECT 2609 2596 CONECT 2610 2596 CONECT 2611 2595 CONECT 2612 2595 CONECT 2613 2487 CONECT 2614 2486 CONECT 2615 2483 2616 2618 2619 CONECT 2616 2615 2617 CONECT 2617 2616 CONECT 2618 2615 CONECT 2619 2615 CONECT 2620 2483 CONECT 2621 2482 CONECT 2622 2479 2623 2625 2629 CONECT 2623 2622 2624 CONECT 2624 2623 CONECT 2625 2622 2626 2627 2628 CONECT 2626 2625 CONECT 2627 2625 CONECT 2628 2625 CONECT 2629 2622 CONECT 2630 2479 CONECT 2631 2478 CONECT 2632 2478 CONECT 2633 2478 CONECT 2634 2635 2675 2676 2677 CONECT 2635 2634 2636 2666 2674 CONECT 2636 2635 2637 2638 CONECT 2637 2636 CONECT 2638 2636 2639 2665 CONECT 2639 2638 2640 2659 2664 CONECT 2640 2639 2641 2642 CONECT 2641 2640 CONECT 2642 2640 2643 2651 CONECT 2643 2642 2644 2649 2658 CONECT 2644 2643 2645 2646 CONECT 2645 2644 CONECT 2646 2644 2647 2648 CONECT 2647 2646 CONECT 2648 2646 CONECT 2649 2643 2650 2656 2657 CONECT 2650 2649 2651 2654 2655 CONECT 2651 2642 2650 2652 2653 CONECT 2652 2651 CONECT 2653 2651 CONECT 2654 2650 CONECT 2655 2650 CONECT 2656 2649 CONECT 2657 2649 CONECT 2658 2643 CONECT 2659 2639 2660 2662 2663 CONECT 2660 2659 2661 CONECT 2661 2660 CONECT 2662 2659 CONECT 2663 2659 CONECT 2664 2639 CONECT 2665 2638 CONECT 2666 2635 2667 2669 2673 CONECT 2667 2666 2668 CONECT 2668 2667 CONECT 2669 2666 2670 2671 2672 CONECT 2670 2669 CONECT 2671 2669 CONECT 2672 2669 CONECT 2673 2666 CONECT 2674 2635 CONECT 2675 2634 CONECT 2676 2634 CONECT 2677 2634 MASTER 0 0 0 0 0 0 0 0 2676 1 214 19 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4mnv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ejn
RCSB PDB
PDBbind
253aa, >1EJN_1|Chain... at 99%
1f5k
RCSB PDB
PDBbind
253aa, >1F5K_1|Chain... at 99%
1f5l
RCSB PDB
PDBbind
253aa, >1F5L_1|Chain... at 99%
1f92
RCSB PDB
PDBbind
253aa, >1F92_1|Chain... at 99%
1fv9
RCSB PDB
PDBbind
245aa, >1FV9_1|Chain... at 99%
1owd
RCSB PDB
PDBbind
245aa, >1OWD_1|Chain... at 99%
1owe
RCSB PDB
PDBbind
245aa, >1OWE_1|Chain... at 99%
1owh
RCSB PDB
PDBbind
245aa, >1OWH_1|Chain... at 99%
1owi
RCSB PDB
PDBbind
245aa, >1OWI_1|Chain... at 99%
1owj
RCSB PDB
PDBbind
245aa, >1OWJ_1|Chain... at 99%
1owk
RCSB PDB
PDBbind
245aa, >1OWK_1|Chain... at 99%
1sc8
RCSB PDB
PDBbind
262aa, >1SC8_1|Chain... at 99%
1sqa
RCSB PDB
PDBbind
245aa, >1SQA_1|Chain... at 99%
1sqo
RCSB PDB
PDBbind
245aa, >1SQO_1|Chain... at 99%
1sqt
RCSB PDB
PDBbind
245aa, >1SQT_1|Chain... at 99%
1u6q
RCSB PDB
PDBbind
245aa, >1U6Q_1|Chain... at 99%
1vj9
RCSB PDB
PDBbind
262aa, >1VJ9_1|Chain... at 99%
1vja
RCSB PDB
PDBbind
262aa, >1VJA_1|Chain... at 99%
1w0z
RCSB PDB
PDBbind
247aa, >1W0Z_1|Chain... at 99%
1w10
RCSB PDB
PDBbind
247aa, >1W10_1|Chain... at 99%
1w11
RCSB PDB
PDBbind
247aa, >1W11_1|Chain... at 99%
1w12
RCSB PDB
PDBbind
247aa, >1W12_1|Chain... at 99%
1w13
RCSB PDB
PDBbind
247aa, >1W13_1|Chain... at 99%
1w14
RCSB PDB
PDBbind
247aa, >1W14_1|Chain... at 99%
2r2w
RCSB PDB
PDBbind
253aa, >2R2W_1|Chain... at 99%
2vin
RCSB PDB
PDBbind
253aa, >2VIN_1|Chain... at 99%
2vio
RCSB PDB
PDBbind
253aa, >2VIO_1|Chain... at 99%
2vip
RCSB PDB
PDBbind
253aa, >2VIP_1|Chain... at 99%
2viq
RCSB PDB
PDBbind
253aa, >2VIQ_1|Chain... at 99%
2viv
RCSB PDB
PDBbind
253aa, >2VIV_1|Chain... at 99%
2viw
RCSB PDB
PDBbind
253aa, >2VIW_1|Chain... at 99%
2vnt
RCSB PDB
PDBbind
276aa, >2VNT_1|Chains... at 96%
3kgp
RCSB PDB
PDBbind
253aa, >3KGP_1|Chain... at 99%
3khv
RCSB PDB
PDBbind
253aa, >3KHV_1|Chain... at 99%
3kid
RCSB PDB
PDBbind
253aa, >3KID_1|Chain... at 99%
3mhw
RCSB PDB
PDBbind
247aa, >3MHW_1|Chain... at 99%
4h42
RCSB PDB
PDBbind
248aa, >4H42_1|Chain... at 99%
4x1n
RCSB PDB
PDBbind
247aa, >4X1N_2|Chain... at 98%
4x1p
RCSB PDB
PDBbind
247aa, >4X1P_1|Chain... at 98%
4x1q
RCSB PDB
PDBbind
247aa, >4X1Q_2|Chain... at 98%
4x1r
RCSB PDB
PDBbind
247aa, >4X1R_2|Chain... at 98%
4x1s
RCSB PDB
PDBbind
247aa, >4X1S_2|Chain... at 98%
4zhl
RCSB PDB
PDBbind
247aa, >4ZHL_1|Chain... at 98%
4zhm
RCSB PDB
PDBbind
247aa, >4ZHM_2|Chain... at 98%
5wxp
RCSB PDB
PDBbind
253aa, >5WXP_1|Chain... at 99%
5xg4
RCSB PDB
PDBbind
246aa, >5XG4_1|Chain... at 99%
5z1c
RCSB PDB
PDBbind
245aa, >5Z1C_1|Chain... at 99%
5za7
RCSB PDB
PDBbind
253aa, >5ZA7_1|Chain... at 99%
5za8
RCSB PDB
PDBbind
253aa, >5ZA8_1|Chain... at 99%
5za9
RCSB PDB
PDBbind
253aa, >5ZA9_1|Chain... at 99%
5zae
RCSB PDB
PDBbind
253aa, >5ZAE_1|Chain... at 99%
5zaf
RCSB PDB
PDBbind
253aa, >5ZAF_1|Chain... at 99%
5zag
RCSB PDB
PDBbind
253aa, >5ZAG_1|Chain... at 99%
5zah
RCSB PDB
PDBbind
253aa, >5ZAH_1|Chain... at 99%
5zaj
RCSB PDB
PDBbind
253aa, >5ZAJ_1|Chain... at 99%
5zc5
RCSB PDB
PDBbind
253aa, >5ZC5_1|Chain... at 99%
6nmb
RCSB PDB
PDBbind
281aa, >6NMB_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1azg
RCSB PDB
PDBbind
14-mer
1bt6
RCSB PDB
PDBbind
14-mer
1eoj
RCSB PDB
PDBbind
14-mer
1f3j
RCSB PDB
PDBbind
14-mer
1i3z
RCSB PDB
PDBbind
14-mer
1iht
RCSB PDB
PDBbind
14-mer
1jbd
RCSB PDB
PDBbind
14-mer
1mv0
RCSB PDB
PDBbind
14-mer
1n5z
RCSB PDB
PDBbind
14-mer
1ntv
RCSB PDB
PDBbind
14-mer
1oj5
RCSB PDB
PDBbind
14-mer
1oxg
RCSB PDB
PDBbind
14-mer
1sfi
RCSB PDB
PDBbind
14-mer
1t29
RCSB PDB
PDBbind
14-mer
1x11
RCSB PDB
PDBbind
14-mer
1xh3
RCSB PDB
PDBbind
14-mer
1xn3
RCSB PDB
PDBbind
14-mer
1y19
RCSB PDB
PDBbind
14-mer
2fci
RCSB PDB
PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
2jnw
RCSB PDB
PDBbind
14-mer
2l0i
RCSB PDB
PDBbind
14-mer
2l6e
RCSB PDB
PDBbind
14-mer
2l75
RCSB PDB
PDBbind
14-mer
2lo6
RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
2ltw
RCSB PDB
PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
14-mer
2oi3
RCSB PDB
PDBbind
14-mer
2w2u
RCSB PDB
PDBbind
14-mer
2xl2
RCSB PDB
PDBbind
14-mer
2xl3
RCSB PDB
PDBbind
14-mer
2xrw
RCSB PDB
PDBbind
14-mer
2xs0
RCSB PDB
PDBbind
14-mer
2y8o
RCSB PDB
PDBbind
14-mer
3d9k
RCSB PDB
PDBbind
14-mer
3d9l
RCSB PDB
PDBbind
14-mer
3d9m
RCSB PDB
PDBbind
14-mer
3d9n
RCSB PDB
PDBbind
14-mer
3d9o
RCSB PDB
PDBbind
14-mer
3d9p
RCSB PDB
PDBbind
14-mer
3g2w
RCSB PDB
PDBbind
14-mer
3lrh
RCSB PDB
PDBbind
14-mer
3meu
RCSB PDB
PDBbind
14-mer
3pkn
RCSB PDB
PDBbind
14-mer
3rqe
RCSB PDB
PDBbind
14-mer
3so6
RCSB PDB
PDBbind
14-mer
3ual
RCSB PDB
PDBbind
14-mer
3wdz
RCSB PDB
PDBbind
14-mer
3wut
RCSB PDB
PDBbind
14-mer
3wuu
RCSB PDB
PDBbind
14-mer
3wuv
RCSB PDB
PDBbind
14-mer
4aza
RCSB PDB
PDBbind
14-mer
4ch2
RCSB PDB
PDBbind
14-mer
4ch8
RCSB PDB
PDBbind
14-mer
4erq
RCSB PDB
PDBbind
14-mer
4ery
RCSB PDB
PDBbind
14-mer
4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
14-mer
4ewr
RCSB PDB
PDBbind
14-mer
4fi9
RCSB PDB
PDBbind
14-mer
4gly
RCSB PDB
PDBbind
14-mer
4gxl
RCSB PDB
PDBbind
14-mer
4hgc
RCSB PDB
PDBbind
14-mer
4i7b
RCSB PDB
PDBbind
14-mer
4i7c
RCSB PDB
PDBbind
14-mer
4i7d
RCSB PDB
PDBbind
14-mer
4k1e
RCSB PDB
PDBbind
14-mer
4ktu
RCSB PDB
PDBbind
14-mer
4m1d
RCSB PDB
PDBbind
14-mer
4mnw
RCSB PDB
PDBbind
14-mer
4mnx
RCSB PDB
PDBbind
14-mer
4mny
RCSB PDB
PDBbind
14-mer
4o4y
RCSB PDB
PDBbind
14-mer
4ofb
RCSB PDB
PDBbind
14-mer
4os2
RCSB PDB
PDBbind
14-mer
4os6
RCSB PDB
PDBbind
14-mer
4ov5
RCSB PDB
PDBbind
14-mer
4wv6
RCSB PDB
PDBbind
14-mer
5aer
RCSB PDB
PDBbind
14-mer
5dpw
RCSB PDB
PDBbind
14-mer
5e0l
RCSB PDB
PDBbind
14-mer
5eoc
RCSB PDB
PDBbind
14-mer
5h5s
RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
14-mer
5ly1
RCSB PDB
PDBbind
14-mer
5ly2
RCSB PDB
PDBbind
14-mer
5n8w
RCSB PDB
PDBbind
14-mer
5unj
RCSB PDB
PDBbind
14-mer
5vlh
RCSB PDB
PDBbind
14-mer
5vll
RCSB PDB
PDBbind
14-mer
5wbk
RCSB PDB
PDBbind
14-mer
5zoo
RCSB PDB
PDBbind
14-mer
6axk
RCSB PDB
PDBbind
14-mer
6axl
RCSB PDB
PDBbind
14-mer
6b27
RCSB PDB
PDBbind
14-mer
6co4
RCSB PDB
PDBbind
14-mer
6qcg
RCSB PDB
PDBbind
14-mer
6qc0
RCSB PDB
PDBbind
14-mer
6pxc
RCSB PDB
PDBbind
14-mer
6o3w
RCSB PDB
PDBbind
14-mer
6o21
RCSB PDB
PDBbind
14-mer
6nk1
RCSB PDB
PDBbind
14-mer
6fzp
RCSB PDB
PDBbind
14-mer
6fzj
RCSB PDB
PDBbind
14-mer
6fzf
RCSB PDB
PDBbind
14-mer
6d3x
RCSB PDB
PDBbind
14-mer
6bvh
RCSB PDB
PDBbind
14-mer
6bcr
RCSB PDB
PDBbind
14-mer
5zk7
RCSB PDB
PDBbind
14-mer
5zjy
RCSB PDB
PDBbind
14-mer
5y21
RCSB PDB
PDBbind
14-mer
5xvw
RCSB PDB
PDBbind
14-mer
5vk0
RCSB PDB
PDBbind
14-mer
5ok6
RCSB PDB
PDBbind
14-mer
6bd1
RCSB PDB
PDBbind
14-mer
Entry Information
PDB ID
4mnv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
urokinase-type plasminogen activator (uPA)
Ligand Name
14-mer
EC.Number
E.C.3.4.21.73
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=11.56uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Angew.Chem.Int.Ed.Engl. Vol. 53: pp. 1602-1606
Ligand Properties
Formula
C
5
4
H
1
0
3
N
2
1
O
1
9
S
4
Molecular Weight
1478.780
Exact Mass
1477.660
No. of atoms
201
No. of bonds
200
Polar Surface Area
844.71
LOGP Value
-7.81 (
Computed with XLOGP3
)
-9.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 61
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 1
Canonical SMILES
SC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H]([C@H](O)C)[NH3+].CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)[C@H](O)C)CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CS)CCC[NH+]=C(N)N)CCC(=O)N)CO
InChI String
InChI=1S/C42H77N17O15S3.C12H22N4O4S/c1-18(31(64)55-24(40(73)74)8-6-13-50-42(47)48)51-39(72)30(20(3)62)59-37(70)27(17-76)57-34(67)23(11-14-77-4)54-35(68)25(15-60)56-33(66)22(9-10-28(43)63)53-32(65)21(7-5-12-49-41(45)46)52-36(69)26(16-75)58-38(71)29(44)19(2)61;1-6(17)9(13)11(19)15-7(5-21)12(20)16-4-2-3-8(16)10(14)18/h18-27,29-30,60-62,75-76H,5-17,44H2,1-4H3,(H2,43,63)(H,51,72)(H,52,69)(H,53,65)(H,54,68)(H,55,64)(H,56,66)(H,57,67)(H,58,71)(H,59,70)(H,73,74)(H4,45,46,49)(H4,47,48,50);6-9,17,21H,2-5,13H2,1H3,(H2,14,18)(H,15,19)/p+4/t18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,29-,30-;6-,7+,8+,9+/m01/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P00749
Entrez Gene ID
NCBI Entrez Gene ID:
5328
ASD
Information of known allosteric effects of PDB entries
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