Browse entries in the PDBbind-CN Database
HEADER 6D1K_COMPLEX COMPND 6D1K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET M A 3Q 23 ATOM 1 N GLY A 42 8.206 2.980 28.447 1.00 35.08 N ATOM 2 CA GLY A 42 9.436 2.226 28.593 1.00 33.84 C ATOM 3 C GLY A 42 10.540 2.662 27.647 1.00 32.13 C ATOM 4 O GLY A 42 11.275 1.832 27.110 1.00 33.83 O ATOM 5 HN3 GLY A 42 7.845 2.867 27.478 1.00 0.00 H ATOM 6 HN2 GLY A 42 8.393 3.986 28.634 1.00 0.00 H ATOM 7 HN1 GLY A 42 7.501 2.626 29.125 1.00 0.00 H ATOM 8 N ASP A 43 10.654 3.968 27.429 1.00 28.61 N ATOM 9 CA ASP A 43 11.733 4.502 26.612 1.00 26.19 C ATOM 10 C ASP A 43 13.018 4.508 27.427 1.00 23.82 C ATOM 11 O ASP A 43 13.023 4.910 28.596 1.00 25.31 O ATOM 12 CB ASP A 43 11.406 5.926 26.167 1.00 26.97 C ATOM 13 CG ASP A 43 10.436 5.969 25.003 1.00 28.05 C ATOM 14 OD1 ASP A 43 10.197 4.919 24.382 1.00 27.66 O ATOM 15 OD2 ASP A 43 9.901 7.060 24.717 1.00 29.39 O ATOM 16 H ASP A 43 9.960 4.619 27.849 1.00 0.00 H ATOM 17 N GLN A 44 14.102 4.046 26.820 1.00 20.74 N ATOM 18 CA GLN A 44 15.414 4.045 27.449 1.00 19.88 C ATOM 19 C GLN A 44 16.307 5.017 26.693 1.00 17.48 C ATOM 20 O GLN A 44 16.586 4.811 25.510 1.00 16.00 O ATOM 21 CB GLN A 44 16.020 2.642 27.439 1.00 21.48 C ATOM 22 CG GLN A 44 17.376 2.555 28.125 1.00 23.91 C ATOM 23 CD GLN A 44 18.067 1.220 27.898 1.00 25.40 C ATOM 24 OE1 GLN A 44 17.508 0.314 27.283 1.00 25.57 O ATOM 25 NE2 GLN A 44 19.299 1.101 28.387 1.00 26.65 N ATOM 26 HE22 GLN A 44 19.733 1.894 28.901 1.00 0.00 H ATOM 27 HE21 GLN A 44 19.828 0.215 28.255 1.00 0.00 H ATOM 28 H GLN A 44 14.011 3.669 25.855 1.00 0.00 H ATOM 29 N ARG A 45 16.723 6.087 27.363 1.00 17.32 N ATOM 30 CA ARG A 45 17.674 7.021 26.777 1.00 16.88 C ATOM 31 C ARG A 45 19.072 6.433 26.896 1.00 17.38 C ATOM 32 O ARG A 45 19.500 6.042 27.985 1.00 20.25 O ATOM 33 CB ARG A 45 17.602 8.376 27.487 1.00 17.99 C ATOM 34 CG ARG A 45 16.257 9.084 27.344 1.00 19.06 C ATOM 35 CD ARG A 45 16.340 10.558 27.714 1.00 19.82 C ATOM 36 NE ARG A 45 16.666 10.762 29.124 1.00 18.60 N ATOM 37 CZ ARG A 45 15.772 10.804 30.108 1.00 18.13 C ATOM 38 NH1 ARG A 45 16.171 11.002 31.355 1.00 16.79 N ATOM 39 NH2 ARG A 45 14.480 10.656 29.850 1.00 19.05 N ATOM 40 HE ARG A 45 17.668 10.883 29.376 1.00 0.00 H ATOM 41 HH12 ARG A 45 15.473 11.035 32.125 1.00 0.00 H ATOM 42 HH11 ARG A 45 17.182 11.124 31.564 1.00 0.00 H ATOM 43 HH22 ARG A 45 13.788 10.690 30.625 1.00 0.00 H ATOM 44 HH21 ARG A 45 14.159 10.506 28.872 1.00 0.00 H ATOM 45 H ARG A 45 16.363 6.260 28.323 1.00 0.00 H ATOM 46 N PHE A 46 19.775 6.349 25.772 1.00 14.71 N ATOM 47 CA PHE A 46 21.117 5.771 25.727 1.00 14.80 C ATOM 48 C PHE A 46 21.924 6.727 24.860 1.00 15.01 C ATOM 49 O PHE A 46 21.801 6.706 23.632 1.00 14.10 O ATOM 50 CB PHE A 46 21.064 4.374 25.119 1.00 16.10 C ATOM 51 CG PHE A 46 22.388 3.651 25.107 1.00 16.82 C ATOM 52 CD1 PHE A 46 22.801 2.921 26.207 1.00 18.13 C ATOM 53 CD2 PHE A 46 23.198 3.665 23.980 1.00 16.53 C ATOM 54 CE1 PHE A 46 24.008 2.235 26.193 1.00 18.73 C ATOM 55 CE2 PHE A 46 24.409 2.982 23.962 1.00 16.43 C ATOM 56 CZ PHE A 46 24.811 2.268 25.072 1.00 18.05 C ATOM 57 H PHE A 46 19.355 6.708 24.891 1.00 0.00 H ATOM 58 N GLY A 47 22.728 7.567 25.505 1.00 17.15 N ATOM 59 CA GLY A 47 23.357 8.662 24.789 1.00 18.70 C ATOM 60 C GLY A 47 22.296 9.518 24.128 1.00 17.84 C ATOM 61 O GLY A 47 21.298 9.908 24.747 1.00 19.12 O ATOM 62 H GLY A 47 22.906 7.440 26.522 1.00 0.00 H ATOM 63 N ASP A 48 22.488 9.783 22.840 1.00 15.31 N ATOM 64 CA ASP A 48 21.571 10.606 22.068 1.00 13.67 C ATOM 65 C ASP A 48 20.487 9.790 21.372 1.00 11.90 C ATOM 66 O ASP A 48 19.754 10.338 20.542 1.00 12.75 O ATOM 67 CB ASP A 48 22.357 11.427 21.042 1.00 14.94 C ATOM 68 CG ASP A 48 21.679 12.733 20.698 1.00 16.35 C ATOM 69 OD1 ASP A 48 21.184 13.410 21.626 1.00 17.18 O ATOM 70 OD2 ASP A 48 21.656 13.087 19.498 1.00 16.85 O ATOM 71 H ASP A 48 23.325 9.387 22.367 1.00 0.00 H ATOM 72 N LEU A 49 20.375 8.500 21.680 1.00 11.31 N ATOM 73 CA LEU A 49 19.411 7.605 21.057 1.00 11.49 C ATOM 74 C LEU A 49 18.380 7.163 22.087 1.00 11.44 C ATOM 75 O LEU A 49 18.548 7.355 23.296 1.00 11.78 O ATOM 76 CB LEU A 49 20.126 6.395 20.438 1.00 13.18 C ATOM 77 CG LEU A 49 20.880 6.662 19.121 1.00 15.07 C ATOM 78 CD1 LEU A 49 22.238 7.322 19.347 1.00 16.67 C ATOM 79 CD2 LEU A 49 21.021 5.373 18.320 1.00 16.94 C ATOM 80 H LEU A 49 21.011 8.110 22.405 1.00 0.00 H ATOM 81 N VAL A 50 17.281 6.598 21.592 1.00 11.10 N ATOM 82 CA VAL A 50 16.216 6.072 22.437 1.00 11.71 C ATOM 83 C VAL A 50 15.895 4.656 21.982 1.00 11.06 C ATOM 84 O VAL A 50 15.812 4.386 20.779 1.00 11.52 O ATOM 85 CB VAL A 50 14.955 6.966 22.411 1.00 13.14 C ATOM 86 CG1 VAL A 50 13.813 6.314 23.183 1.00 14.20 C ATOM 87 CG2 VAL A 50 15.267 8.345 22.974 1.00 13.98 C ATOM 88 H VAL A 50 17.178 6.529 20.559 1.00 0.00 H ATOM 89 N PHE A 51 15.731 3.752 22.946 1.00 11.78 N ATOM 90 CA PHE A 51 15.392 2.360 22.683 1.00 12.37 C ATOM 91 C PHE A 51 14.124 2.002 23.441 1.00 13.35 C ATOM 92 O PHE A 51 13.939 2.421 24.584 1.00 14.98 O ATOM 93 CB PHE A 51 16.538 1.431 23.095 1.00 12.61 C ATOM 94 CG PHE A 51 17.792 1.680 22.329 1.00 11.67 C ATOM 95 CD1 PHE A 51 18.669 2.679 22.721 1.00 11.97 C ATOM 96 CD2 PHE A 51 18.076 0.950 21.187 1.00 11.70 C ATOM 97 CE1 PHE A 51 19.820 2.937 21.997 1.00 12.85 C ATOM 98 CE2 PHE A 51 19.231 1.197 20.458 1.00 11.50 C ATOM 99 CZ PHE A 51 20.100 2.193 20.861 1.00 12.05 C ATOM 100 H PHE A 51 15.851 4.054 23.934 1.00 0.00 H ATOM 101 N ARG A 52 13.244 1.241 22.794 1.00 13.37 N ATOM 102 CA ARG A 52 11.957 0.880 23.380 1.00 14.26 C ATOM 103 C ARG A 52 11.667 -0.576 23.064 1.00 13.87 C ATOM 104 O ARG A 52 11.627 -0.959 21.892 1.00 13.71 O ATOM 105 CB ARG A 52 10.833 1.765 22.827 1.00 16.27 C ATOM 106 CG ARG A 52 9.460 1.475 23.437 1.00 19.20 C ATOM 107 CD ARG A 52 8.325 2.165 22.676 1.00 21.62 C ATOM 108 NE ARG A 52 8.205 3.583 23.002 1.00 25.03 N ATOM 109 CZ ARG A 52 7.153 4.341 22.697 1.00 27.44 C ATOM 110 NH1 ARG A 52 6.112 3.819 22.059 1.00 28.01 N ATOM 111 NH2 ARG A 52 7.141 5.626 23.033 1.00 28.83 N ATOM 112 HE ARG A 52 8.995 4.032 23.507 1.00 0.00 H ATOM 113 HH12 ARG A 52 5.294 4.416 21.824 1.00 0.00 H ATOM 114 HH11 ARG A 52 6.115 2.813 21.795 1.00 0.00 H ATOM 115 HH22 ARG A 52 6.320 6.218 22.795 1.00 0.00 H ATOM 116 HH21 ARG A 52 7.953 6.040 23.534 1.00 0.00 H ATOM 117 H ARG A 52 13.481 0.893 21.843 1.00 0.00 H ATOM 118 N GLN A 53 11.445 -1.382 24.099 1.00 14.06 N ATOM 119 CA GLN A 53 11.075 -2.769 23.872 1.00 13.12 C ATOM 120 C GLN A 53 9.638 -2.844 23.377 1.00 12.60 C ATOM 121 O GLN A 53 8.733 -2.236 23.959 1.00 13.99 O ATOM 122 CB GLN A 53 11.239 -3.588 25.148 1.00 14.60 C ATOM 123 CG GLN A 53 11.090 -5.076 24.890 1.00 17.22 C ATOM 124 CD GLN A 53 11.695 -5.934 25.975 1.00 19.96 C ATOM 125 OE1 GLN A 53 11.867 -5.492 27.111 1.00 22.01 O ATOM 126 NE2 GLN A 53 12.011 -7.174 25.635 1.00 20.74 N ATOM 127 HE22 GLN A 53 11.848 -7.504 24.662 1.00 0.00 H ATOM 128 HE21 GLN A 53 12.422 -7.818 26.341 1.00 0.00 H ATOM 129 H GLN A 53 11.536 -1.020 25.070 1.00 0.00 H ATOM 130 N LEU A 54 9.430 -3.590 22.293 1.00 11.43 N ATOM 131 CA LEU A 54 8.107 -3.765 21.706 1.00 11.66 C ATOM 132 C LEU A 54 7.524 -5.145 21.934 1.00 13.51 C ATOM 133 O LEU A 54 6.301 -5.300 21.926 1.00 15.42 O ATOM 134 CB LEU A 54 8.154 -3.518 20.195 1.00 12.24 C ATOM 135 CG LEU A 54 8.750 -2.189 19.730 1.00 12.57 C ATOM 136 CD1 LEU A 54 8.625 -2.097 18.229 1.00 12.29 C ATOM 137 CD2 LEU A 54 8.092 -0.990 20.397 1.00 13.28 C ATOM 138 H LEU A 54 10.242 -4.065 21.849 1.00 0.00 H ATOM 139 N ALA A 55 8.380 -6.135 22.130 1.00 13.86 N ATOM 140 CA ALA A 55 7.999 -7.526 22.318 1.00 14.36 C ATOM 141 C ALA A 55 9.166 -8.208 23.013 1.00 14.70 C ATOM 142 O ALA A 55 10.245 -7.620 23.122 1.00 14.11 O ATOM 143 CB ALA A 55 7.689 -8.191 20.965 1.00 15.45 C ATOM 144 H ALA A 55 9.394 -5.903 22.151 1.00 0.00 H ATOM 145 N PRO A 56 8.989 -9.442 23.504 1.00 15.63 N ATOM 146 CA PRO A 56 10.094 -10.088 24.243 1.00 16.49 C ATOM 147 C PRO A 56 11.436 -10.105 23.517 1.00 16.23 C ATOM 148 O PRO A 56 12.489 -10.025 24.168 1.00 17.84 O ATOM 149 CB PRO A 56 9.551 -11.499 24.509 1.00 17.63 C ATOM 150 CG PRO A 56 8.076 -11.293 24.618 1.00 17.87 C ATOM 151 CD PRO A 56 7.746 -10.237 23.597 1.00 16.93 C ATOM 152 N ASN A 57 11.429 -10.182 22.187 1.00 14.35 N ATOM 153 CA ASN A 57 12.647 -10.284 21.393 1.00 12.95 C ATOM 154 C ASN A 57 12.800 -9.123 20.413 1.00 10.60 C ATOM 155 O ASN A 57 13.589 -9.229 19.470 1.00 10.29 O ATOM 156 CB ASN A 57 12.665 -11.602 20.609 1.00 14.09 C ATOM 157 CG ASN A 57 12.930 -12.826 21.480 1.00 17.90 C ATOM 158 OD1 ASN A 57 12.556 -12.873 22.649 1.00 19.44 O ATOM 159 ND2 ASN A 57 13.578 -13.831 20.895 1.00 19.75 N ATOM 160 HD22 ASN A 57 13.877 -13.749 19.902 1.00 0.00 H ATOM 161 HD21 ASN A 57 13.785 -14.698 21.431 1.00 0.00 H ATOM 162 H ASN A 57 10.514 -10.169 21.693 1.00 0.00 H ATOM 163 N VAL A 58 12.049 -8.027 20.583 1.00 9.87 N ATOM 164 CA VAL A 58 12.027 -6.939 19.602 1.00 10.02 C ATOM 165 C VAL A 58 12.143 -5.594 20.304 1.00 9.65 C ATOM 166 O VAL A 58 11.371 -5.302 21.225 1.00 10.50 O ATOM 167 CB VAL A 58 10.750 -6.957 18.739 1.00 10.80 C ATOM 168 CG1 VAL A 58 10.818 -5.871 17.664 1.00 11.56 C ATOM 169 CG2 VAL A 58 10.538 -8.328 18.107 1.00 11.76 C ATOM 170 H VAL A 58 11.463 -7.946 21.438 1.00 0.00 H ATOM 171 N TRP A 59 13.064 -4.752 19.825 1.00 9.60 N ATOM 172 CA TRP A 59 13.216 -3.391 20.315 1.00 10.20 C ATOM 173 C TRP A 59 13.227 -2.428 19.136 1.00 9.55 C ATOM 174 O TRP A 59 13.673 -2.773 18.040 1.00 10.48 O ATOM 175 CB TRP A 59 14.533 -3.207 21.084 1.00 11.13 C ATOM 176 CG TRP A 59 14.669 -4.061 22.303 1.00 12.12 C ATOM 177 CD1 TRP A 59 14.505 -3.660 23.596 1.00 12.70 C ATOM 178 CD2 TRP A 59 15.016 -5.451 22.355 1.00 12.89 C ATOM 179 NE1 TRP A 59 14.718 -4.715 24.451 1.00 13.70 N ATOM 180 CE2 TRP A 59 15.041 -5.823 23.715 1.00 14.01 C ATOM 181 CE3 TRP A 59 15.316 -6.416 21.387 1.00 13.77 C ATOM 182 CZ2 TRP A 59 15.337 -7.118 24.128 1.00 14.66 C ATOM 183 CZ3 TRP A 59 15.619 -7.701 21.802 1.00 14.36 C ATOM 184 CH2 TRP A 59 15.624 -8.040 23.160 1.00 14.74 C ATOM 185 HE1 TRP A 59 14.646 -4.678 25.488 1.00 0.00 H ATOM 186 H TRP A 59 13.698 -5.084 19.071 1.00 0.00 H ATOM 187 N GLN A 60 12.734 -1.216 19.370 1.00 8.90 N ATOM 188 CA GLN A 60 12.808 -0.137 18.393 1.00 8.69 C ATOM 189 C GLN A 60 13.975 0.778 18.754 1.00 8.71 C ATOM 190 O GLN A 60 14.115 1.175 19.916 1.00 9.50 O ATOM 191 CB GLN A 60 11.502 0.657 18.406 1.00 9.77 C ATOM 192 CG GLN A 60 11.441 1.802 17.407 1.00 9.86 C ATOM 193 CD GLN A 60 10.145 2.590 17.517 1.00 10.44 C ATOM 194 OE1 GLN A 60 9.230 2.432 16.705 1.00 11.52 O ATOM 195 NE2 GLN A 60 10.056 3.436 18.535 1.00 11.14 N ATOM 196 HE22 GLN A 60 10.852 3.539 19.197 1.00 0.00 H ATOM 197 HE21 GLN A 60 9.191 3.997 18.671 1.00 0.00 H ATOM 198 H GLN A 60 12.278 -1.030 20.286 1.00 0.00 H ATOM 199 N HIS A 61 14.815 1.094 17.769 1.00 7.79 N ATOM 200 CA HIS A 61 15.868 2.092 17.935 1.00 8.42 C ATOM 201 C HIS A 61 15.436 3.412 17.308 1.00 7.75 C ATOM 202 O HIS A 61 14.797 3.425 16.253 1.00 8.46 O ATOM 203 CB HIS A 61 17.244 1.627 17.407 1.00 7.82 C ATOM 204 CG HIS A 61 17.347 1.401 15.919 1.00 7.35 C ATOM 205 ND1 HIS A 61 17.499 2.424 15.006 1.00 7.58 N ATOM 206 CD2 HIS A 61 17.461 0.249 15.209 1.00 7.12 C ATOM 207 CE1 HIS A 61 17.638 1.914 13.792 1.00 7.06 C ATOM 208 NE2 HIS A 61 17.619 0.595 13.887 1.00 7.19 N ATOM 209 H HIS A 61 14.717 0.614 16.852 1.00 0.00 H ATOM 210 N THR A 62 15.777 4.521 17.969 1.00 8.35 N ATOM 211 CA THR A 62 15.419 5.850 17.484 1.00 8.35 C ATOM 212 C THR A 62 16.635 6.757 17.544 1.00 8.33 C ATOM 213 O THR A 62 17.311 6.826 18.576 1.00 9.62 O ATOM 214 CB THR A 62 14.282 6.469 18.308 1.00 9.29 C ATOM 215 OG1 THR A 62 13.162 5.585 18.312 1.00 9.99 O ATOM 216 CG2 THR A 62 13.846 7.802 17.714 1.00 9.52 C ATOM 217 HG1 THR A 62 12.855 5.439 17.382 1.00 0.00 H ATOM 218 H THR A 62 16.314 4.435 18.856 1.00 0.00 H ATOM 219 N SER A 63 16.897 7.456 16.442 1.00 8.71 N ATOM 220 CA SER A 63 17.997 8.403 16.345 1.00 8.27 C ATOM 221 C SER A 63 17.471 9.691 15.727 1.00 8.23 C ATOM 222 O SER A 63 16.408 9.708 15.093 1.00 8.80 O ATOM 223 CB SER A 63 19.151 7.821 15.516 1.00 9.10 C ATOM 224 OG SER A 63 18.732 7.501 14.201 1.00 8.78 O ATOM 225 HG SER A 63 18.004 6.831 14.242 1.00 0.00 H ATOM 226 H SER A 63 16.287 7.319 15.611 1.00 0.00 H ATOM 227 N TYR A 64 18.231 10.775 15.907 1.00 9.62 N ATOM 228 CA TYR A 64 17.770 12.116 15.569 1.00 10.07 C ATOM 229 C TYR A 64 18.815 12.836 14.735 1.00 10.45 C ATOM 230 O TYR A 64 20.012 12.742 15.008 1.00 11.19 O ATOM 231 CB TYR A 64 17.505 12.947 16.838 1.00 10.21 C ATOM 232 CG TYR A 64 16.560 12.253 17.787 1.00 10.60 C ATOM 233 CD1 TYR A 64 17.033 11.353 18.737 1.00 11.28 C ATOM 234 CD2 TYR A 64 15.193 12.472 17.715 1.00 11.26 C ATOM 235 CE1 TYR A 64 16.171 10.699 19.595 1.00 11.63 C ATOM 236 CE2 TYR A 64 14.323 11.825 18.569 1.00 11.73 C ATOM 237 CZ TYR A 64 14.816 10.938 19.507 1.00 12.58 C ATOM 238 OH TYR A 64 13.947 10.295 20.360 1.00 14.80 O ATOM 239 HH TYR A 64 14.459 9.700 20.964 1.00 0.00 H ATOM 240 H TYR A 64 19.186 10.658 16.302 1.00 0.00 H ATOM 241 N LEU A 65 18.354 13.572 13.727 1.00 10.78 N ATOM 242 CA LEU A 65 19.236 14.408 12.927 1.00 11.68 C ATOM 243 C LEU A 65 18.620 15.791 12.859 1.00 12.69 C ATOM 244 O LEU A 65 17.461 15.936 12.453 1.00 12.50 O ATOM 245 CB LEU A 65 19.432 13.847 11.517 1.00 12.79 C ATOM 246 CG LEU A 65 20.417 14.675 10.679 1.00 14.90 C ATOM 247 CD1 LEU A 65 21.842 14.559 11.224 1.00 17.10 C ATOM 248 CD2 LEU A 65 20.370 14.279 9.207 1.00 16.36 C ATOM 249 H LEU A 65 17.338 13.549 13.505 1.00 0.00 H ATOM 250 N ASP A 66 19.384 16.790 13.292 1.00 15.95 N ATOM 251 CA ASP A 66 18.996 18.188 13.169 1.00 19.85 C ATOM 252 C ASP A 66 19.112 18.543 11.697 1.00 21.10 C ATOM 253 O ASP A 66 20.205 18.816 11.192 1.00 23.60 O ATOM 254 CB ASP A 66 19.917 19.065 14.015 1.00 23.53 C ATOM 255 CG ASP A 66 19.733 18.840 15.519 1.00 27.86 C ATOM 256 OD1 ASP A 66 18.643 19.162 16.046 1.00 29.44 O ATOM 257 OD2 ASP A 66 20.680 18.346 16.179 1.00 29.49 O ATOM 258 H ASP A 66 20.296 16.563 13.737 1.00 0.00 H ATOM 259 N MET A 67 17.985 18.506 10.992 1.00 20.91 N ATOM 260 CA MET A 67 17.972 18.787 9.570 1.00 23.01 C ATOM 261 C MET A 67 17.485 20.206 9.341 1.00 23.88 C ATOM 262 O MET A 67 16.321 20.507 9.651 1.00 24.86 O ATOM 263 CB MET A 67 17.055 17.809 8.863 1.00 24.11 C ATOM 264 CG MET A 67 17.007 18.031 7.381 1.00 25.96 C ATOM 265 SD MET A 67 15.947 16.804 6.643 1.00 26.58 S ATOM 266 CE MET A 67 16.664 15.321 7.331 1.00 25.64 C ATOM 267 H MET A 67 17.093 18.270 11.472 1.00 0.00 H ATOM 268 N PRO A 68 18.319 21.098 8.809 1.00 23.23 N ATOM 269 CA PRO A 68 17.889 22.489 8.618 1.00 23.08 C ATOM 270 C PRO A 68 16.608 22.565 7.799 1.00 24.66 C ATOM 271 O PRO A 68 16.492 21.953 6.734 1.00 25.68 O ATOM 272 CB PRO A 68 19.075 23.126 7.885 1.00 23.42 C ATOM 273 CG PRO A 68 20.249 22.281 8.278 1.00 23.81 C ATOM 274 CD PRO A 68 19.719 20.885 8.404 1.00 23.43 C ATOM 275 N GLY A 69 15.634 23.310 8.321 1.00 24.52 N ATOM 276 CA GLY A 69 14.336 23.443 7.697 1.00 25.02 C ATOM 277 C GLY A 69 13.289 22.462 8.175 1.00 25.28 C ATOM 278 O GLY A 69 12.108 22.630 7.841 1.00 26.32 O ATOM 279 H GLY A 69 15.814 23.815 9.212 1.00 0.00 H ATOM 280 N PHE A 70 13.677 21.448 8.951 1.00 24.22 N ATOM 281 CA PHE A 70 12.748 20.411 9.378 1.00 24.51 C ATOM 282 C PHE A 70 12.871 20.036 10.847 1.00 22.73 C ATOM 283 O PHE A 70 12.197 19.095 11.275 1.00 24.00 O ATOM 284 CB PHE A 70 12.912 19.145 8.517 1.00 26.91 C ATOM 285 CG PHE A 70 12.731 19.394 7.050 1.00 28.92 C ATOM 286 CD1 PHE A 70 11.478 19.306 6.473 1.00 29.92 C ATOM 287 CD2 PHE A 70 13.811 19.737 6.252 1.00 29.85 C ATOM 288 CE1 PHE A 70 11.305 19.547 5.125 1.00 30.50 C ATOM 289 CE2 PHE A 70 13.644 19.983 4.903 1.00 31.09 C ATOM 290 CZ PHE A 70 12.388 19.886 4.339 1.00 31.03 C ATOM 291 H PHE A 70 14.669 21.397 9.259 1.00 0.00 H ATOM 292 N GLY A 71 13.708 20.721 11.623 1.00 19.74 N ATOM 293 CA GLY A 71 13.884 20.385 13.020 1.00 17.20 C ATOM 294 C GLY A 71 14.716 19.124 13.202 1.00 14.04 C ATOM 295 O GLY A 71 15.360 18.618 12.287 1.00 13.52 O ATOM 296 H GLY A 71 14.246 21.513 11.218 1.00 0.00 H ATOM 297 N ALA A 72 14.687 18.613 14.426 1.00 13.30 N ATOM 298 CA ALA A 72 15.423 17.397 14.766 1.00 13.71 C ATOM 299 C ALA A 72 14.510 16.213 14.481 1.00 14.14 C ATOM 300 O ALA A 72 13.596 15.923 15.251 1.00 17.38 O ATOM 301 CB ALA A 72 15.845 17.427 16.229 1.00 14.83 C ATOM 302 H ALA A 72 14.127 19.089 15.161 1.00 0.00 H ATOM 303 N VAL A 73 14.760 15.517 13.377 1.00 11.33 N ATOM 304 CA VAL A 73 13.848 14.483 12.892 1.00 11.17 C ATOM 305 C VAL A 73 14.220 13.133 13.494 1.00 10.10 C ATOM 306 O VAL A 73 15.357 12.664 13.349 1.00 9.46 O ATOM 307 CB VAL A 73 13.868 14.418 11.357 1.00 11.58 C ATOM 308 CG1 VAL A 73 12.913 13.349 10.855 1.00 11.80 C ATOM 309 CG2 VAL A 73 13.513 15.769 10.767 1.00 13.22 C ATOM 310 H VAL A 73 15.630 15.714 12.842 1.00 0.00 H ATOM 311 N ALA A 74 13.249 12.493 14.140 1.00 10.12 N ATOM 312 CA ALA A 74 13.430 11.146 14.662 1.00 9.82 C ATOM 313 C ALA A 74 13.268 10.127 13.545 1.00 8.99 C ATOM 314 O ALA A 74 12.405 10.269 12.681 1.00 11.08 O ATOM 315 CB ALA A 74 12.370 10.864 15.727 1.00 10.29 C ATOM 316 H ALA A 74 12.334 12.969 14.276 1.00 0.00 H ATOM 317 N SER A 75 14.095 9.088 13.568 1.00 8.37 N ATOM 318 CA SER A 75 13.925 7.947 12.678 1.00 8.27 C ATOM 319 C SER A 75 14.038 6.668 13.487 1.00 7.49 C ATOM 320 O SER A 75 14.936 6.538 14.326 1.00 8.34 O ATOM 321 CB SER A 75 14.992 7.928 11.587 1.00 8.51 C ATOM 322 OG SER A 75 14.764 6.857 10.687 1.00 9.30 O ATOM 323 HG SER A 75 14.794 6.000 11.181 1.00 0.00 H ATOM 324 H SER A 75 14.888 9.089 14.241 1.00 0.00 H ATOM 325 N ASN A 76 13.135 5.724 13.215 1.00 7.84 N ATOM 326 CA ASN A 76 13.061 4.456 13.927 1.00 7.90 C ATOM 327 C ASN A 76 13.497 3.297 13.046 1.00 7.19 C ATOM 328 O ASN A 76 13.140 3.232 11.861 1.00 7.78 O ATOM 329 CB ASN A 76 11.626 4.148 14.343 1.00 8.73 C ATOM 330 CG ASN A 76 11.015 5.229 15.206 1.00 9.13 C ATOM 331 OD1 ASN A 76 11.692 5.852 16.028 1.00 10.41 O ATOM 332 ND2 ASN A 76 9.715 5.457 15.027 1.00 10.44 N ATOM 333 HD22 ASN A 76 9.183 4.908 14.322 1.00 0.00 H ATOM 334 HD21 ASN A 76 9.232 6.184 15.592 1.00 0.00 H ATOM 335 H ASN A 76 12.448 5.903 12.455 1.00 0.00 H ATOM 336 N GLY A 77 14.187 2.342 13.666 1.00 8.08 N ATOM 337 CA GLY A 77 14.375 1.019 13.096 1.00 7.08 C ATOM 338 C GLY A 77 14.152 -0.056 14.138 1.00 7.45 C ATOM 339 O GLY A 77 13.630 0.239 15.220 1.00 8.05 O ATOM 340 H GLY A 77 14.608 2.551 14.594 1.00 0.00 H ATOM 341 N LEU A 78 14.556 -1.296 13.852 1.00 7.30 N ATOM 342 CA LEU A 78 14.269 -2.416 14.739 1.00 7.63 C ATOM 343 C LEU A 78 15.517 -3.228 15.054 1.00 7.17 C ATOM 344 O LEU A 78 16.481 -3.271 14.282 1.00 7.88 O ATOM 345 CB LEU A 78 13.193 -3.362 14.172 1.00 8.72 C ATOM 346 CG LEU A 78 11.796 -2.744 14.105 1.00 10.18 C ATOM 347 CD1 LEU A 78 10.870 -3.651 13.315 1.00 12.43 C ATOM 348 CD2 LEU A 78 11.257 -2.500 15.506 1.00 11.67 C ATOM 349 H LEU A 78 15.088 -1.467 12.975 1.00 0.00 H ATOM 350 N ILE A 79 15.472 -3.873 16.216 1.00 7.69 N ATOM 351 CA ILE A 79 16.473 -4.827 16.676 1.00 7.98 C ATOM 352 C ILE A 79 15.711 -6.071 17.107 1.00 8.30 C ATOM 353 O ILE A 79 14.775 -5.970 17.905 1.00 8.90 O ATOM 354 CB ILE A 79 17.258 -4.257 17.876 1.00 8.06 C ATOM 355 CG1 ILE A 79 17.920 -2.922 17.504 1.00 8.53 C ATOM 356 CG2 ILE A 79 18.277 -5.282 18.390 1.00 9.11 C ATOM 357 CD1 ILE A 79 18.490 -2.177 18.692 1.00 9.64 C ATOM 358 H ILE A 79 14.664 -3.683 16.842 1.00 0.00 H ATOM 359 N VAL A 80 16.101 -7.236 16.582 1.00 8.36 N ATOM 360 CA VAL A 80 15.388 -8.485 16.841 1.00 8.11 C ATOM 361 C VAL A 80 16.381 -9.540 17.317 1.00 8.71 C ATOM 362 O VAL A 80 17.387 -9.796 16.648 1.00 9.70 O ATOM 363 CB VAL A 80 14.666 -8.978 15.573 1.00 9.24 C ATOM 364 CG1 VAL A 80 13.942 -10.306 15.828 1.00 10.69 C ATOM 365 CG2 VAL A 80 13.699 -7.908 15.055 1.00 9.78 C ATOM 366 H VAL A 80 16.940 -7.255 15.968 1.00 0.00 H ATOM 367 N ARG A 81 16.100 -10.162 18.461 1.00 8.76 N ATOM 368 CA ARG A 81 16.891 -11.307 18.891 1.00 10.19 C ATOM 369 C ARG A 81 16.247 -12.571 18.345 1.00 10.44 C ATOM 370 O ARG A 81 15.056 -12.818 18.566 1.00 11.29 O ATOM 371 CB ARG A 81 17.040 -11.401 20.412 1.00 11.88 C ATOM 372 CG ARG A 81 17.938 -12.584 20.800 1.00 12.64 C ATOM 373 CD ARG A 81 18.098 -12.773 22.301 1.00 13.90 C ATOM 374 NE ARG A 81 16.849 -13.123 22.970 1.00 14.66 N ATOM 375 CZ ARG A 81 16.251 -14.310 22.893 1.00 14.61 C ATOM 376 NH1 ARG A 81 16.773 -15.288 22.171 1.00 14.21 N ATOM 377 NH2 ARG A 81 15.113 -14.515 23.540 1.00 15.53 N ATOM 378 HE ARG A 81 16.392 -12.391 23.550 1.00 0.00 H ATOM 379 HH12 ARG A 81 16.294 -16.210 22.121 1.00 0.00 H ATOM 380 HH11 ARG A 81 17.662 -15.135 21.654 1.00 0.00 H ATOM 381 HH22 ARG A 81 14.642 -15.440 23.483 1.00 0.00 H ATOM 382 HH21 ARG A 81 14.691 -13.750 24.105 1.00 0.00 H ATOM 383 H ARG A 81 15.311 -9.828 19.051 1.00 0.00 H ATOM 384 N ASP A 82 17.037 -13.366 17.632 1.00 10.14 N ATOM 385 CA ASP A 82 16.604 -14.648 17.089 1.00 10.98 C ATOM 386 C ASP A 82 17.547 -15.695 17.672 1.00 11.45 C ATOM 387 O ASP A 82 18.635 -15.920 17.139 1.00 11.51 O ATOM 388 CB ASP A 82 16.686 -14.619 15.567 1.00 12.52 C ATOM 389 CG ASP A 82 16.347 -15.958 14.937 1.00 13.89 C ATOM 390 OD1 ASP A 82 15.520 -16.697 15.513 1.00 14.29 O ATOM 391 OD2 ASP A 82 16.901 -16.272 13.863 1.00 15.24 O ATOM 392 H ASP A 82 18.014 -13.058 17.452 1.00 0.00 H ATOM 393 N GLY A 83 17.136 -16.321 18.768 1.00 12.37 N ATOM 394 CA GLY A 83 17.990 -17.306 19.412 1.00 12.92 C ATOM 395 C GLY A 83 19.268 -16.650 19.901 1.00 12.72 C ATOM 396 O GLY A 83 19.243 -15.684 20.676 1.00 13.25 O ATOM 397 H GLY A 83 16.200 -16.106 19.167 1.00 0.00 H ATOM 398 N GLY A 84 20.409 -17.159 19.435 1.00 12.37 N ATOM 399 CA GLY A 84 21.694 -16.638 19.860 1.00 12.77 C ATOM 400 C GLY A 84 22.283 -15.549 18.990 1.00 12.42 C ATOM 401 O GLY A 84 23.489 -15.296 19.045 1.00 12.65 O ATOM 402 H GLY A 84 20.377 -17.944 18.754 1.00 0.00 H ATOM 403 N ARG A 85 21.464 -14.879 18.190 1.00 12.15 N ATOM 404 CA ARG A 85 21.987 -13.812 17.355 1.00 12.51 C ATOM 405 C ARG A 85 20.983 -12.670 17.283 1.00 10.34 C ATOM 406 O ARG A 85 19.812 -12.807 17.653 1.00 11.21 O ATOM 407 CB ARG A 85 22.345 -14.320 15.962 1.00 14.79 C ATOM 408 CG ARG A 85 21.136 -14.592 15.123 1.00 14.92 C ATOM 409 CD ARG A 85 21.258 -15.842 14.256 1.00 17.23 C ATOM 410 NE ARG A 85 20.005 -15.963 13.531 1.00 16.74 N ATOM 411 CZ ARG A 85 19.850 -15.699 12.240 1.00 14.46 C ATOM 412 NH1 ARG A 85 20.888 -15.347 11.488 1.00 13.83 N ATOM 413 NH2 ARG A 85 18.645 -15.785 11.705 1.00 14.03 N ATOM 414 HE ARG A 85 19.169 -16.279 14.062 1.00 0.00 H ATOM 415 HH12 ARG A 85 20.752 -15.143 10.477 1.00 0.00 H ATOM 416 HH11 ARG A 85 21.836 -15.276 11.910 1.00 0.00 H ATOM 417 HH22 ARG A 85 18.509 -15.581 10.694 1.00 0.00 H ATOM 418 HH21 ARG A 85 17.833 -16.057 12.295 1.00 0.00 H ATOM 419 H ARG A 85 20.452 -15.117 18.161 1.00 0.00 H ATOM 420 N VAL A 86 21.464 -11.524 16.804 1.00 9.51 N ATOM 421 CA VAL A 86 20.668 -10.309 16.697 1.00 9.14 C ATOM 422 C VAL A 86 20.600 -9.891 15.234 1.00 8.50 C ATOM 423 O VAL A 86 21.583 -10.009 14.491 1.00 8.69 O ATOM 424 CB VAL A 86 21.253 -9.186 17.583 1.00 9.72 C ATOM 425 CG1 VAL A 86 20.496 -7.880 17.394 1.00 10.06 C ATOM 426 CG2 VAL A 86 21.237 -9.618 19.045 1.00 10.91 C ATOM 427 H VAL A 86 22.455 -11.495 16.491 1.00 0.00 H ATOM 428 N LEU A 87 19.432 -9.407 14.824 1.00 8.32 N ATOM 429 CA LEU A 87 19.187 -8.912 13.478 1.00 8.34 C ATOM 430 C LEU A 87 18.729 -7.463 13.583 1.00 7.86 C ATOM 431 O LEU A 87 17.926 -7.122 14.454 1.00 9.64 O ATOM 432 CB LEU A 87 18.092 -9.754 12.792 1.00 9.51 C ATOM 433 CG LEU A 87 18.146 -11.268 13.027 1.00 10.51 C ATOM 434 CD1 LEU A 87 16.903 -11.962 12.449 1.00 11.36 C ATOM 435 CD2 LEU A 87 19.413 -11.849 12.435 1.00 12.09 C ATOM 436 H LEU A 87 18.647 -9.381 15.506 1.00 0.00 H ATOM 437 N VAL A 88 19.233 -6.608 12.696 1.00 7.18 N ATOM 438 CA VAL A 88 18.924 -5.182 12.723 1.00 7.63 C ATOM 439 C VAL A 88 18.181 -4.791 11.454 1.00 6.93 C ATOM 440 O VAL A 88 18.524 -5.239 10.354 1.00 7.75 O ATOM 441 CB VAL A 88 20.205 -4.340 12.913 1.00 8.80 C ATOM 442 CG1 VAL A 88 19.929 -2.837 12.752 1.00 9.44 C ATOM 443 CG2 VAL A 88 20.812 -4.619 14.282 1.00 9.48 C ATOM 444 H VAL A 88 19.870 -6.969 11.957 1.00 0.00 H ATOM 445 N VAL A 89 17.151 -3.964 11.614 1.00 6.47 N ATOM 446 CA VAL A 89 16.449 -3.344 10.495 1.00 6.38 C ATOM 447 C VAL A 89 16.714 -1.846 10.550 1.00 6.38 C ATOM 448 O VAL A 89 16.325 -1.174 11.515 1.00 6.90 O ATOM 449 CB VAL A 89 14.938 -3.627 10.532 1.00 7.26 C ATOM 450 CG1 VAL A 89 14.263 -2.985 9.323 1.00 8.86 C ATOM 451 CG2 VAL A 89 14.661 -5.129 10.570 1.00 8.62 C ATOM 452 H VAL A 89 16.832 -3.750 12.580 1.00 0.00 H ATOM 453 N ASP A 90 17.393 -1.341 9.514 1.00 6.26 N ATOM 454 CA ASP A 90 17.747 0.065 9.293 1.00 6.32 C ATOM 455 C ASP A 90 18.904 0.531 10.165 1.00 6.47 C ATOM 456 O ASP A 90 19.031 0.125 11.326 1.00 6.94 O ATOM 457 CB ASP A 90 16.538 1.003 9.424 1.00 7.13 C ATOM 458 CG ASP A 90 15.584 0.871 8.256 1.00 8.70 C ATOM 459 OD1 ASP A 90 16.019 0.374 7.197 1.00 9.68 O ATOM 460 OD2 ASP A 90 14.399 1.238 8.402 1.00 10.51 O ATOM 461 H ASP A 90 17.703 -2.018 8.788 1.00 0.00 H ATOM 462 N THR A 91 19.780 1.357 9.594 1.00 6.99 N ATOM 463 CA THR A 91 20.772 2.040 10.404 1.00 6.97 C ATOM 464 C THR A 91 20.120 3.237 11.086 1.00 7.21 C ATOM 465 O THR A 91 18.929 3.524 10.906 1.00 7.53 O ATOM 466 CB THR A 91 21.971 2.491 9.560 1.00 6.86 C ATOM 467 OG1 THR A 91 21.611 3.614 8.733 1.00 7.02 O ATOM 468 CG2 THR A 91 22.485 1.359 8.681 1.00 8.20 C ATOM 469 HG1 THR A 91 21.320 4.366 9.308 1.00 0.00 H ATOM 470 H THR A 91 19.753 1.513 8.566 1.00 0.00 H ATOM 471 N ALA A 92 20.905 3.924 11.909 1.00 7.93 N ATOM 472 CA ALA A 92 20.577 5.270 12.336 1.00 7.54 C ATOM 473 C ALA A 92 20.987 6.255 11.241 1.00 7.67 C ATOM 474 O ALA A 92 21.492 5.870 10.182 1.00 8.60 O ATOM 475 CB ALA A 92 21.253 5.570 13.667 1.00 8.69 C ATOM 476 H ALA A 92 21.780 3.483 12.257 1.00 0.00 H ATOM 477 N TRP A 93 20.786 7.550 11.492 1.00 7.92 N ATOM 478 CA TRP A 93 21.133 8.538 10.480 1.00 8.09 C ATOM 479 C TRP A 93 22.626 8.553 10.174 1.00 8.11 C ATOM 480 O TRP A 93 23.012 8.851 9.040 1.00 9.42 O ATOM 481 CB TRP A 93 20.771 9.936 10.958 1.00 8.33 C ATOM 482 CG TRP A 93 19.318 10.257 11.125 1.00 8.14 C ATOM 483 CD1 TRP A 93 18.590 10.155 12.271 1.00 8.58 C ATOM 484 CD2 TRP A 93 18.445 10.821 10.142 1.00 8.13 C ATOM 485 NE1 TRP A 93 17.311 10.603 12.060 1.00 9.24 N ATOM 486 CE2 TRP A 93 17.194 11.016 10.760 1.00 8.81 C ATOM 487 CE3 TRP A 93 18.598 11.181 8.798 1.00 8.83 C ATOM 488 CZ2 TRP A 93 16.099 11.556 10.083 1.00 10.05 C ATOM 489 CZ3 TRP A 93 17.503 11.725 8.125 1.00 10.20 C ATOM 490 CH2 TRP A 93 16.272 11.897 8.768 1.00 11.45 C ATOM 491 HE1 TRP A 93 16.553 10.625 12.772 1.00 0.00 H ATOM 492 H TRP A 93 20.385 7.851 12.403 1.00 0.00 H ATOM 493 N THR A 94 23.481 8.292 11.168 1.00 7.97 N ATOM 494 CA THR A 94 24.919 8.469 11.002 1.00 8.77 C ATOM 495 C THR A 94 25.685 7.230 11.448 1.00 8.51 C ATOM 496 O THR A 94 25.181 6.375 12.181 1.00 8.24 O ATOM 497 CB THR A 94 25.465 9.668 11.793 1.00 9.80 C ATOM 498 OG1 THR A 94 25.461 9.358 13.194 1.00 9.70 O ATOM 499 CG2 THR A 94 24.655 10.937 11.519 1.00 10.39 C ATOM 500 HG1 THR A 94 25.813 10.131 13.703 1.00 0.00 H ATOM 501 H THR A 94 23.112 7.955 12.080 1.00 0.00 H ATOM 502 N ASP A 95 26.949 7.178 11.022 1.00 8.72 N ATOM 503 CA ASP A 95 27.836 6.104 11.452 1.00 9.19 C ATOM 504 C ASP A 95 27.990 6.100 12.967 1.00 9.13 C ATOM 505 O ASP A 95 27.896 5.047 13.605 1.00 9.87 O ATOM 506 CB ASP A 95 29.208 6.269 10.803 1.00 10.11 C ATOM 507 CG ASP A 95 29.196 5.981 9.320 1.00 10.68 C ATOM 508 OD1 ASP A 95 28.424 5.103 8.889 1.00 10.90 O ATOM 509 OD2 ASP A 95 30.000 6.624 8.594 1.00 13.62 O ATOM 510 H ASP A 95 27.305 7.912 10.376 1.00 0.00 H ATOM 511 N ASP A 96 28.244 7.274 13.564 1.00 10.18 N ATOM 512 CA ASP A 96 28.449 7.322 15.011 1.00 10.01 C ATOM 513 C ASP A 96 27.209 6.839 15.760 1.00 9.28 C ATOM 514 O ASP A 96 27.318 6.088 16.735 1.00 10.01 O ATOM 515 CB ASP A 96 28.837 8.740 15.451 1.00 12.32 C ATOM 516 CG ASP A 96 30.259 9.127 15.048 1.00 17.33 C ATOM 517 OD1 ASP A 96 31.053 8.253 14.641 1.00 18.85 O ATOM 518 OD2 ASP A 96 30.576 10.328 15.152 1.00 20.02 O ATOM 519 H ASP A 96 28.295 8.146 13.000 1.00 0.00 H ATOM 520 N GLN A 97 26.023 7.255 15.316 1.00 8.33 N ATOM 521 CA GLN A 97 24.799 6.793 15.961 1.00 7.97 C ATOM 522 C GLN A 97 24.631 5.293 15.785 1.00 8.47 C ATOM 523 O GLN A 97 24.164 4.594 16.696 1.00 9.12 O ATOM 524 CB GLN A 97 23.598 7.515 15.360 1.00 8.89 C ATOM 525 CG GLN A 97 23.506 8.980 15.708 1.00 9.41 C ATOM 526 CD GLN A 97 22.512 9.698 14.826 1.00 9.46 C ATOM 527 OE1 GLN A 97 21.969 9.123 13.883 1.00 9.62 O ATOM 528 NE2 GLN A 97 22.269 10.965 15.120 1.00 10.56 N ATOM 529 HE22 GLN A 97 22.750 11.413 15.926 1.00 0.00 H ATOM 530 HE21 GLN A 97 21.597 11.513 14.545 1.00 0.00 H ATOM 531 H GLN A 97 25.970 7.909 14.509 1.00 0.00 H ATOM 532 N THR A 98 24.987 4.782 14.607 1.00 7.99 N ATOM 533 CA THR A 98 24.833 3.358 14.344 1.00 7.60 C ATOM 534 C THR A 98 25.799 2.543 15.197 1.00 8.06 C ATOM 535 O THR A 98 25.432 1.482 15.716 1.00 8.92 O ATOM 536 CB THR A 98 24.997 3.101 12.844 1.00 8.31 C ATOM 537 OG1 THR A 98 24.007 3.850 12.127 1.00 7.68 O ATOM 538 CG2 THR A 98 24.829 1.622 12.511 1.00 8.87 C ATOM 539 HG1 THR A 98 24.125 4.815 12.314 1.00 0.00 H ATOM 540 H THR A 98 25.377 5.404 13.871 1.00 0.00 H ATOM 541 N ALA A 99 27.025 3.043 15.391 1.00 8.31 N ATOM 542 CA ALA A 99 27.935 2.411 16.342 1.00 9.07 C ATOM 543 C ALA A 99 27.341 2.406 17.742 1.00 10.03 C ATOM 544 O ALA A 99 27.537 1.448 18.497 1.00 10.27 O ATOM 545 CB ALA A 99 29.300 3.107 16.323 1.00 10.83 C ATOM 546 H ALA A 99 27.331 3.885 14.862 1.00 0.00 H ATOM 547 N GLN A 100 26.588 3.451 18.093 1.00 11.11 N ATOM 548 CA GLN A 100 25.935 3.482 19.396 1.00 11.04 C ATOM 549 C GLN A 100 24.822 2.440 19.498 1.00 10.20 C ATOM 550 O GLN A 100 24.611 1.866 20.572 1.00 11.03 O ATOM 551 CB GLN A 100 25.416 4.887 19.694 1.00 13.57 C ATOM 552 CG GLN A 100 26.485 5.818 20.243 1.00 18.35 C ATOM 553 CD GLN A 100 26.752 5.575 21.716 1.00 21.70 C ATOM 554 OE1 GLN A 100 27.238 4.512 22.105 1.00 21.56 O ATOM 555 NE2 GLN A 100 26.431 6.559 22.545 1.00 24.45 N ATOM 556 HE22 GLN A 100 26.023 7.440 22.173 1.00 0.00 H ATOM 557 HE21 GLN A 100 26.587 6.450 23.567 1.00 0.00 H ATOM 558 H GLN A 100 26.467 4.246 17.434 1.00 0.00 H ATOM 559 N ILE A 101 24.094 2.182 18.404 1.00 8.67 N ATOM 560 CA ILE A 101 23.145 1.065 18.411 1.00 9.69 C ATOM 561 C ILE A 101 23.865 -0.237 18.745 1.00 9.19 C ATOM 562 O ILE A 101 23.403 -1.030 19.572 1.00 9.35 O ATOM 563 CB ILE A 101 22.393 0.956 17.071 1.00 9.03 C ATOM 564 CG1 ILE A 101 21.486 2.167 16.850 1.00 10.00 C ATOM 565 CG2 ILE A 101 21.584 -0.353 17.034 1.00 10.08 C ATOM 566 CD1 ILE A 101 20.883 2.229 15.467 1.00 10.35 C ATOM 567 H ILE A 101 24.201 2.771 17.554 1.00 0.00 H ATOM 568 N LEU A 102 25.006 -0.479 18.096 1.00 8.57 N ATOM 569 CA LEU A 102 25.751 -1.708 18.353 1.00 8.76 C ATOM 570 C LEU A 102 26.246 -1.760 19.796 1.00 9.45 C ATOM 571 O LEU A 102 26.285 -2.835 20.414 1.00 10.77 O ATOM 572 CB LEU A 102 26.904 -1.850 17.352 1.00 9.24 C ATOM 573 CG LEU A 102 26.461 -1.821 15.882 1.00 9.81 C ATOM 574 CD1 LEU A 102 27.661 -1.935 14.962 1.00 10.94 C ATOM 575 CD2 LEU A 102 25.472 -2.951 15.601 1.00 10.45 C ATOM 576 H LEU A 102 25.365 0.210 17.405 1.00 0.00 H ATOM 577 N ASN A 103 26.619 -0.605 20.352 1.00 10.34 N ATOM 578 CA ASN A 103 27.023 -0.540 21.752 1.00 11.80 C ATOM 579 C ASN A 103 25.867 -0.916 22.671 1.00 11.29 C ATOM 580 O ASN A 103 26.040 -1.688 23.620 1.00 11.93 O ATOM 581 CB ASN A 103 27.530 0.870 22.064 1.00 13.58 C ATOM 582 CG ASN A 103 28.185 0.977 23.427 1.00 15.88 C ATOM 583 OD1 ASN A 103 28.574 -0.023 24.029 1.00 17.31 O ATOM 584 ND2 ASN A 103 28.316 2.204 23.918 1.00 17.18 N ATOM 585 HD22 ASN A 103 27.972 3.021 23.374 1.00 0.00 H ATOM 586 HD21 ASN A 103 28.762 2.348 24.846 1.00 0.00 H ATOM 587 H ASN A 103 26.622 0.262 19.778 1.00 0.00 H ATOM 588 N TRP A 104 24.676 -0.372 22.405 1.00 10.67 N ATOM 589 CA TRP A 104 23.501 -0.742 23.189 1.00 11.04 C ATOM 590 C TRP A 104 23.227 -2.237 23.086 1.00 10.95 C ATOM 591 O TRP A 104 22.923 -2.891 24.091 1.00 11.72 O ATOM 592 CB TRP A 104 22.283 0.059 22.723 1.00 12.15 C ATOM 593 CG TRP A 104 21.023 -0.242 23.493 1.00 12.75 C ATOM 594 CD1 TRP A 104 20.558 0.414 24.597 1.00 14.14 C ATOM 595 CD2 TRP A 104 20.074 -1.282 23.217 1.00 12.87 C ATOM 596 NE1 TRP A 104 19.377 -0.148 25.021 1.00 13.89 N ATOM 597 CE2 TRP A 104 19.060 -1.194 24.194 1.00 13.43 C ATOM 598 CE3 TRP A 104 19.984 -2.277 22.240 1.00 13.49 C ATOM 599 CZ2 TRP A 104 17.970 -2.064 24.220 1.00 13.55 C ATOM 600 CZ3 TRP A 104 18.901 -3.140 22.269 1.00 13.98 C ATOM 601 CH2 TRP A 104 17.911 -3.028 23.252 1.00 14.70 C ATOM 602 HE1 TRP A 104 18.815 0.169 25.837 1.00 0.00 H ATOM 603 H TRP A 104 24.585 0.320 21.634 1.00 0.00 H ATOM 604 N ILE A 105 23.331 -2.794 21.877 1.00 10.20 N ATOM 605 CA ILE A 105 23.108 -4.228 21.702 1.00 10.31 C ATOM 606 C ILE A 105 24.097 -5.029 22.538 1.00 11.35 C ATOM 607 O ILE A 105 23.725 -6.008 23.197 1.00 11.99 O ATOM 608 CB ILE A 105 23.172 -4.610 20.211 1.00 10.13 C ATOM 609 CG1 ILE A 105 21.968 -4.031 19.471 1.00 9.40 C ATOM 610 CG2 ILE A 105 23.243 -6.133 20.045 1.00 10.61 C ATOM 611 CD1 ILE A 105 22.076 -4.129 17.964 1.00 9.12 C ATOM 612 H ILE A 105 23.572 -2.204 21.055 1.00 0.00 H ATOM 613 N LYS A 106 25.370 -4.621 22.526 1.00 11.58 N ATOM 614 CA LYS A 106 26.384 -5.312 23.316 1.00 12.74 C ATOM 615 C LYS A 106 26.042 -5.290 24.801 1.00 13.68 C ATOM 616 O LYS A 106 26.138 -6.317 25.485 1.00 14.15 O ATOM 617 CB LYS A 106 27.751 -4.672 23.072 1.00 13.23 C ATOM 618 CG LYS A 106 28.816 -5.073 24.078 1.00 14.59 C ATOM 619 CD LYS A 106 29.167 -6.542 23.941 1.00 15.63 C ATOM 620 CE LYS A 106 30.323 -6.931 24.852 1.00 16.58 C ATOM 621 NZ LYS A 106 30.678 -8.373 24.717 1.00 17.17 N ATOM 622 HZ1 LYS A 106 29.855 -8.956 24.968 1.00 0.00 H ATOM 623 HZ2 LYS A 106 30.957 -8.570 23.735 1.00 0.00 H ATOM 624 HZ3 LYS A 106 31.469 -8.595 25.354 1.00 0.00 H ATOM 625 H LYS A 106 25.641 -3.801 21.947 1.00 0.00 H ATOM 626 N GLN A 107 25.626 -4.133 25.317 1.00 14.80 N ATOM 627 CA GLN A 107 25.363 -4.018 26.747 1.00 16.12 C ATOM 628 C GLN A 107 24.078 -4.739 27.142 1.00 16.14 C ATOM 629 O GLN A 107 24.045 -5.452 28.153 1.00 16.83 O ATOM 630 CB GLN A 107 25.306 -2.542 27.141 1.00 17.86 C ATOM 631 CG GLN A 107 24.728 -2.277 28.524 1.00 19.47 C ATOM 632 CD GLN A 107 24.587 -0.795 28.820 1.00 21.23 C ATOM 633 OE1 GLN A 107 23.481 -0.291 29.022 1.00 22.32 O ATOM 634 NE2 GLN A 107 25.711 -0.088 28.850 1.00 21.62 N ATOM 635 HE22 GLN A 107 26.624 -0.554 28.674 1.00 0.00 H ATOM 636 HE21 GLN A 107 25.679 0.932 29.050 1.00 0.00 H ATOM 637 H GLN A 107 25.489 -3.309 24.697 1.00 0.00 H ATOM 638 N GLU A 108 23.017 -4.581 26.353 1.00 15.83 N ATOM 639 CA GLU A 108 21.697 -5.048 26.759 1.00 16.03 C ATOM 640 C GLU A 108 21.364 -6.458 26.294 1.00 14.64 C ATOM 641 O GLU A 108 20.536 -7.124 26.925 1.00 15.97 O ATOM 642 CB GLU A 108 20.620 -4.074 26.268 1.00 17.77 C ATOM 643 CG GLU A 108 20.800 -2.652 26.800 1.00 21.53 C ATOM 644 CD GLU A 108 20.499 -2.530 28.288 1.00 25.95 C ATOM 645 OE1 GLU A 108 19.991 -3.503 28.885 1.00 27.99 O ATOM 646 OE2 GLU A 108 20.758 -1.451 28.863 1.00 27.90 O ATOM 647 H GLU A 108 23.132 -4.116 25.430 1.00 0.00 H ATOM 648 N ILE A 109 21.971 -6.933 25.209 1.00 12.99 N ATOM 649 CA ILE A 109 21.695 -8.257 24.665 1.00 12.31 C ATOM 650 C ILE A 109 22.932 -9.147 24.701 1.00 13.13 C ATOM 651 O ILE A 109 22.865 -10.307 25.114 1.00 13.76 O ATOM 652 CB ILE A 109 21.102 -8.180 23.238 1.00 11.64 C ATOM 653 CG1 ILE A 109 19.821 -7.334 23.232 1.00 12.11 C ATOM 654 CG2 ILE A 109 20.813 -9.579 22.704 1.00 12.77 C ATOM 655 CD1 ILE A 109 19.269 -7.067 21.847 1.00 13.27 C ATOM 656 H ILE A 109 22.672 -6.334 24.729 1.00 0.00 H ATOM 657 N ASN A 110 24.075 -8.617 24.265 1.00 12.41 N ATOM 658 CA ASN A 110 25.355 -9.322 24.355 1.00 12.87 C ATOM 659 C ASN A 110 25.362 -10.612 23.534 1.00 12.76 C ATOM 660 O ASN A 110 25.804 -11.670 23.994 1.00 14.01 O ATOM 661 CB ASN A 110 25.764 -9.570 25.809 1.00 13.87 C ATOM 662 CG ASN A 110 27.204 -9.996 25.940 1.00 16.56 C ATOM 663 OD1 ASN A 110 28.055 -9.592 25.145 1.00 17.06 O ATOM 664 ND2 ASN A 110 27.490 -10.827 26.939 1.00 17.44 N ATOM 665 HD22 ASN A 110 26.738 -11.141 27.585 1.00 0.00 H ATOM 666 HD21 ASN A 110 28.465 -11.162 27.073 1.00 0.00 H ATOM 667 H ASN A 110 24.057 -7.666 23.845 1.00 0.00 H ATOM 668 N LEU A 111 24.867 -10.512 22.304 1.00 12.51 N ATOM 669 CA LEU A 111 24.947 -11.557 21.298 1.00 12.37 C ATOM 670 C LEU A 111 25.397 -10.930 19.986 1.00 13.24 C ATOM 671 O LEU A 111 25.189 -9.732 19.763 1.00 12.56 O ATOM 672 CB LEU A 111 23.582 -12.234 21.101 1.00 12.63 C ATOM 673 CG LEU A 111 23.054 -13.035 22.297 1.00 13.16 C ATOM 674 CD1 LEU A 111 21.604 -13.419 22.068 1.00 13.83 C ATOM 675 CD2 LEU A 111 23.899 -14.274 22.543 1.00 13.91 C ATOM 676 H LEU A 111 24.390 -9.625 22.044 1.00 0.00 H ATOM 677 N PRO A 112 26.026 -11.705 19.106 1.00 13.88 N ATOM 678 CA PRO A 112 26.503 -11.136 17.839 1.00 13.32 C ATOM 679 C PRO A 112 25.358 -10.672 16.953 1.00 12.46 C ATOM 680 O PRO A 112 24.284 -11.274 16.924 1.00 12.45 O ATOM 681 CB PRO A 112 27.248 -12.307 17.183 1.00 14.38 C ATOM 682 CG PRO A 112 26.680 -13.533 17.835 1.00 16.41 C ATOM 683 CD PRO A 112 26.379 -13.129 19.245 1.00 15.02 C ATOM 684 N VAL A 113 25.608 -9.593 16.214 1.00 10.99 N ATOM 685 CA VAL A 113 24.676 -9.105 15.201 1.00 10.57 C ATOM 686 C VAL A 113 24.987 -9.829 13.894 1.00 10.23 C ATOM 687 O VAL A 113 26.017 -9.582 13.260 1.00 11.50 O ATOM 688 CB VAL A 113 24.743 -7.582 15.036 1.00 10.35 C ATOM 689 CG1 VAL A 113 23.740 -7.125 13.987 1.00 11.32 C ATOM 690 CG2 VAL A 113 24.481 -6.894 16.374 1.00 11.60 C ATOM 691 H VAL A 113 26.500 -9.079 16.364 1.00 0.00 H ATOM 692 N ALA A 114 24.098 -10.742 13.503 1.00 9.63 N ATOM 693 CA ALA A 114 24.350 -11.591 12.345 1.00 9.95 C ATOM 694 C ALA A 114 24.150 -10.868 11.024 1.00 10.53 C ATOM 695 O ALA A 114 24.822 -11.196 10.042 1.00 12.38 O ATOM 696 CB ALA A 114 23.444 -12.821 12.390 1.00 11.27 C ATOM 697 H ALA A 114 23.210 -10.850 14.033 1.00 0.00 H ATOM 698 N LEU A 115 23.233 -9.908 10.967 1.00 9.03 N ATOM 699 CA LEU A 115 22.982 -9.212 9.714 1.00 8.28 C ATOM 700 C LEU A 115 22.152 -7.973 9.993 1.00 7.33 C ATOM 701 O LEU A 115 21.493 -7.859 11.033 1.00 7.95 O ATOM 702 CB LEU A 115 22.262 -10.106 8.694 1.00 9.62 C ATOM 703 CG LEU A 115 20.860 -10.605 9.062 1.00 11.21 C ATOM 704 CD1 LEU A 115 19.745 -9.675 8.582 1.00 11.36 C ATOM 705 CD2 LEU A 115 20.649 -11.991 8.489 1.00 13.01 C ATOM 706 H LEU A 115 22.694 -9.654 11.819 1.00 0.00 H ATOM 707 N ALA A 116 22.153 -7.074 9.015 1.00 7.19 N ATOM 708 CA ALA A 116 21.263 -5.930 8.988 1.00 7.81 C ATOM 709 C ALA A 116 20.640 -5.843 7.606 1.00 7.04 C ATOM 710 O ALA A 116 21.301 -6.127 6.596 1.00 8.36 O ATOM 711 CB ALA A 116 22.021 -4.627 9.285 1.00 8.86 C ATOM 712 H ALA A 116 22.825 -7.197 8.231 1.00 0.00 H ATOM 713 N VAL A 117 19.368 -5.459 7.568 1.00 6.97 N ATOM 714 CA VAL A 117 18.675 -5.135 6.329 1.00 7.24 C ATOM 715 C VAL A 117 18.204 -3.690 6.421 1.00 6.86 C ATOM 716 O VAL A 117 17.703 -3.255 7.462 1.00 7.65 O ATOM 717 CB VAL A 117 17.506 -6.113 6.055 1.00 9.09 C ATOM 718 CG1 VAL A 117 16.510 -6.142 7.216 1.00 9.21 C ATOM 719 CG2 VAL A 117 16.830 -5.793 4.730 1.00 9.86 C ATOM 720 H VAL A 117 18.844 -5.387 8.464 1.00 0.00 H ATOM 721 N VAL A 118 18.391 -2.938 5.341 1.00 6.61 N ATOM 722 CA VAL A 118 18.032 -1.527 5.301 1.00 6.71 C ATOM 723 C VAL A 118 16.947 -1.338 4.251 1.00 6.96 C ATOM 724 O VAL A 118 16.927 -2.027 3.222 1.00 8.00 O ATOM 725 CB VAL A 118 19.256 -0.624 5.036 1.00 9.42 C ATOM 726 CG1 VAL A 118 20.273 -0.774 6.153 1.00 11.09 C ATOM 727 CG2 VAL A 118 19.878 -0.967 3.701 1.00 10.80 C ATOM 728 H VAL A 118 18.809 -3.373 4.494 1.00 0.00 H ATOM 729 N THR A 119 16.032 -0.395 4.509 1.00 7.35 N ATOM 730 CA THR A 119 14.745 -0.427 3.811 1.00 7.07 C ATOM 731 C THR A 119 14.574 0.581 2.673 1.00 7.34 C ATOM 732 O THR A 119 13.559 0.500 1.969 1.00 8.12 O ATOM 733 CB THR A 119 13.552 -0.377 4.781 1.00 7.37 C ATOM 734 OG1 THR A 119 13.587 0.838 5.537 1.00 7.97 O ATOM 735 CG2 THR A 119 13.586 -1.600 5.729 1.00 8.87 C ATOM 736 HG1 THR A 119 14.430 0.879 6.054 1.00 0.00 H ATOM 737 H THR A 119 16.234 0.355 5.200 1.00 0.00 H ATOM 738 N HIS A 120 15.520 1.502 2.460 1.00 7.34 N ATOM 739 CA HIS A 120 15.638 2.253 1.207 1.00 7.89 C ATOM 740 C HIS A 120 16.878 3.140 1.295 1.00 7.42 C ATOM 741 O HIS A 120 17.460 3.314 2.368 1.00 8.11 O ATOM 742 CB HIS A 120 14.394 3.048 0.766 1.00 8.56 C ATOM 743 CG HIS A 120 14.024 4.186 1.664 1.00 8.53 C ATOM 744 ND1 HIS A 120 13.259 4.020 2.798 1.00 9.36 N ATOM 745 CD2 HIS A 120 14.272 5.516 1.565 1.00 8.72 C ATOM 746 CE1 HIS A 120 13.068 5.197 3.370 1.00 9.78 C ATOM 747 NE2 HIS A 120 13.672 6.122 2.644 1.00 9.77 N ATOM 748 H HIS A 120 16.204 1.694 3.219 1.00 0.00 H ATOM 749 N ALA A 121 17.240 3.737 0.156 1.00 7.71 N ATOM 750 CA ALA A 121 18.490 4.496 0.017 1.00 8.80 C ATOM 751 C ALA A 121 18.316 5.977 0.369 1.00 8.57 C ATOM 752 O ALA A 121 18.566 6.874 -0.439 1.00 9.63 O ATOM 753 CB ALA A 121 19.042 4.334 -1.394 1.00 10.01 C ATOM 754 H ALA A 121 16.610 3.661 -0.668 1.00 0.00 H ATOM 755 N HIS A 122 17.894 6.225 1.608 1.00 8.32 N ATOM 756 CA HIS A 122 17.913 7.560 2.195 1.00 8.29 C ATOM 757 C HIS A 122 18.693 7.502 3.505 1.00 7.44 C ATOM 758 O HIS A 122 18.864 6.432 4.102 1.00 7.81 O ATOM 759 CB HIS A 122 16.498 8.084 2.475 1.00 8.74 C ATOM 760 CG HIS A 122 15.784 8.641 1.280 1.00 9.93 C ATOM 761 ND1 HIS A 122 14.415 8.808 1.258 1.00 10.33 N ATOM 762 CD2 HIS A 122 16.238 9.093 0.086 1.00 10.44 C ATOM 763 CE1 HIS A 122 14.055 9.337 0.102 1.00 11.56 C ATOM 764 NE2 HIS A 122 15.142 9.520 -0.629 1.00 11.67 N ATOM 765 H HIS A 122 17.536 5.434 2.180 1.00 0.00 H ATOM 766 N GLN A 123 19.178 8.660 3.948 1.00 7.55 N ATOM 767 CA GLN A 123 20.081 8.754 5.104 1.00 7.73 C ATOM 768 C GLN A 123 19.569 8.146 6.390 1.00 7.65 C ATOM 769 O GLN A 123 20.299 7.569 7.143 1.00 7.87 O ATOM 770 CB GLN A 123 20.521 10.215 5.317 1.00 8.68 C ATOM 771 CG GLN A 123 21.679 10.331 6.320 1.00 10.76 C ATOM 772 CD GLN A 123 22.069 11.764 6.646 1.00 15.77 C ATOM 773 OE1 GLN A 123 21.533 12.620 6.144 1.00 17.44 O ATOM 774 NE2 GLN A 123 22.965 11.892 7.555 1.00 18.63 N ATOM 775 HE22 GLN A 123 23.412 11.048 7.967 1.00 0.00 H ATOM 776 HE21 GLN A 123 23.245 12.840 7.880 1.00 0.00 H ATOM 777 H GLN A 123 18.907 9.535 3.455 1.00 0.00 H ATOM 778 N ASP A 124 18.279 8.346 6.649 1.00 7.21 N ATOM 779 CA ASP A 124 17.738 7.814 7.905 1.00 7.96 C ATOM 780 C ASP A 124 17.780 6.273 7.989 1.00 7.73 C ATOM 781 O ASP A 124 17.766 5.774 9.040 1.00 8.41 O ATOM 782 CB ASP A 124 16.311 8.348 8.223 1.00 8.26 C ATOM 783 CG ASP A 124 15.284 8.202 7.063 1.00 10.02 C ATOM 784 OD1 ASP A 124 15.657 8.173 5.936 1.00 10.17 O ATOM 785 OD2 ASP A 124 14.073 8.199 7.364 1.00 12.43 O ATOM 786 H ASP A 124 17.673 8.864 5.981 1.00 0.00 H ATOM 787 N LYS A 125 17.836 5.610 6.823 1.00 7.17 N ATOM 788 CA LYS A 125 17.823 4.151 6.788 1.00 7.03 C ATOM 789 C LYS A 125 19.173 3.537 6.456 1.00 7.30 C ATOM 790 O LYS A 125 19.417 2.378 6.816 1.00 8.01 O ATOM 791 CB LYS A 125 16.808 3.639 5.748 1.00 8.45 C ATOM 792 CG LYS A 125 15.473 4.390 5.706 1.00 9.39 C ATOM 793 CD LYS A 125 14.479 3.929 6.770 1.00 9.77 C ATOM 794 CE LYS A 125 14.746 4.532 8.140 1.00 9.63 C ATOM 795 NZ LYS A 125 13.900 3.867 9.172 1.00 10.23 N ATOM 796 HZ1 LYS A 125 12.896 3.998 8.933 1.00 0.00 H ATOM 797 HZ2 LYS A 125 14.122 2.851 9.198 1.00 0.00 H ATOM 798 HZ3 LYS A 125 14.094 4.290 10.102 1.00 0.00 H ATOM 799 H LYS A 125 17.889 6.144 5.932 1.00 0.00 H ATOM 800 N MET A 126 20.048 4.261 5.757 1.00 7.24 N ATOM 801 CA MET A 126 21.316 3.700 5.320 1.00 7.78 C ATOM 802 C MET A 126 22.521 4.532 5.718 1.00 6.93 C ATOM 803 O MET A 126 23.649 4.122 5.425 1.00 7.56 O ATOM 804 CB MET A 126 21.333 3.482 3.795 1.00 8.23 C ATOM 805 CG MET A 126 20.408 2.387 3.321 1.00 8.31 C ATOM 806 SD MET A 126 20.466 2.020 1.553 1.00 8.88 S ATOM 807 CE MET A 126 22.085 1.258 1.391 1.00 9.04 C ATOM 808 H MET A 126 19.819 5.247 5.520 1.00 0.00 H ATOM 809 N GLY A 127 22.323 5.676 6.378 1.00 7.39 N ATOM 810 CA GLY A 127 23.424 6.580 6.660 1.00 7.79 C ATOM 811 C GLY A 127 24.532 5.978 7.495 1.00 7.62 C ATOM 812 O GLY A 127 25.655 6.499 7.485 1.00 9.53 O ATOM 813 H GLY A 127 21.364 5.924 6.695 1.00 0.00 H ATOM 814 N GLY A 128 24.254 4.889 8.208 1.00 6.82 N ATOM 815 CA GLY A 128 25.262 4.276 9.050 1.00 7.36 C ATOM 816 C GLY A 128 25.862 2.990 8.516 1.00 7.70 C ATOM 817 O GLY A 128 26.420 2.210 9.293 1.00 8.41 O ATOM 818 H GLY A 128 23.302 4.473 8.160 1.00 0.00 H ATOM 819 N MET A 129 25.773 2.768 7.197 1.00 7.99 N ATOM 820 CA MET A 129 26.270 1.524 6.613 1.00 8.39 C ATOM 821 C MET A 129 27.739 1.268 6.961 1.00 8.34 C ATOM 822 O MET A 129 28.120 0.131 7.272 1.00 9.92 O ATOM 823 CB MET A 129 26.074 1.560 5.100 1.00 8.53 C ATOM 824 CG MET A 129 26.357 0.258 4.403 1.00 8.56 C ATOM 825 SD MET A 129 25.234 -1.057 4.877 1.00 9.46 S ATOM 826 CE MET A 129 23.713 -0.463 4.135 1.00 9.39 C ATOM 827 H MET A 129 25.345 3.489 6.582 1.00 0.00 H ATOM 828 N ASP A 130 28.593 2.303 6.889 1.00 8.88 N ATOM 829 CA ASP A 130 30.012 2.086 7.178 1.00 9.40 C ATOM 830 C ASP A 130 30.225 1.553 8.591 1.00 9.57 C ATOM 831 O ASP A 130 31.146 0.758 8.817 1.00 10.27 O ATOM 832 CB ASP A 130 30.831 3.373 6.991 1.00 10.72 C ATOM 833 CG ASP A 130 31.319 3.589 5.558 1.00 11.68 C ATOM 834 OD1 ASP A 130 31.336 2.645 4.752 1.00 12.79 O ATOM 835 OD2 ASP A 130 31.712 4.730 5.238 1.00 13.52 O ATOM 836 H ASP A 130 28.249 3.250 6.630 1.00 0.00 H ATOM 837 N ALA A 131 29.403 1.979 9.559 1.00 8.91 N ATOM 838 CA ALA A 131 29.559 1.477 10.922 1.00 9.09 C ATOM 839 C ALA A 131 29.239 -0.012 11.006 1.00 9.07 C ATOM 840 O ALA A 131 29.892 -0.753 11.748 1.00 9.94 O ATOM 841 CB ALA A 131 28.690 2.271 11.899 1.00 10.59 C ATOM 842 H ALA A 131 28.654 2.667 9.340 1.00 0.00 H ATOM 843 N LEU A 132 28.234 -0.468 10.260 1.00 8.73 N ATOM 844 CA LEU A 132 27.940 -1.897 10.238 1.00 9.13 C ATOM 845 C LEU A 132 29.089 -2.672 9.614 1.00 9.64 C ATOM 846 O LEU A 132 29.478 -3.733 10.115 1.00 9.57 O ATOM 847 CB LEU A 132 26.646 -2.152 9.468 1.00 9.61 C ATOM 848 CG LEU A 132 25.365 -1.523 10.016 1.00 9.36 C ATOM 849 CD1 LEU A 132 24.197 -1.837 9.088 1.00 9.01 C ATOM 850 CD2 LEU A 132 25.067 -1.957 11.446 1.00 10.93 C ATOM 851 H LEU A 132 27.661 0.192 9.696 1.00 0.00 H ATOM 852 N HIS A 133 29.638 -2.157 8.516 1.00 9.08 N ATOM 853 CA HIS A 133 30.749 -2.843 7.869 1.00 9.60 C ATOM 854 C HIS A 133 31.985 -2.867 8.756 1.00 9.19 C ATOM 855 O HIS A 133 32.670 -3.894 8.841 1.00 10.45 O ATOM 856 CB HIS A 133 31.026 -2.200 6.515 1.00 10.54 C ATOM 857 CG HIS A 133 29.899 -2.379 5.549 1.00 12.62 C ATOM 858 ND1 HIS A 133 29.788 -1.648 4.387 1.00 13.06 N ATOM 859 CD2 HIS A 133 28.821 -3.200 5.584 1.00 12.88 C ATOM 860 CE1 HIS A 133 28.697 -2.019 3.740 1.00 13.46 C ATOM 861 NE2 HIS A 133 28.094 -2.961 4.445 1.00 13.14 N ATOM 862 H HIS A 133 29.275 -1.266 8.121 1.00 0.00 H ATOM 863 N ALA A 134 32.275 -1.755 9.438 1.00 9.76 N ATOM 864 CA ALA A 134 33.419 -1.729 10.341 1.00 10.16 C ATOM 865 C ALA A 134 33.271 -2.757 11.454 1.00 10.28 C ATOM 866 O ALA A 134 34.272 -3.283 11.953 1.00 12.28 O ATOM 867 CB ALA A 134 33.593 -0.327 10.924 1.00 10.87 C ATOM 868 H ALA A 134 31.684 -0.907 9.324 1.00 0.00 H ATOM 869 N ALA A 135 32.031 -3.061 11.844 1.00 10.77 N ATOM 870 CA ALA A 135 31.743 -4.039 12.881 1.00 10.94 C ATOM 871 C ALA A 135 31.710 -5.470 12.355 1.00 11.48 C ATOM 872 O ALA A 135 31.505 -6.401 13.146 1.00 13.02 O ATOM 873 CB ALA A 135 30.407 -3.691 13.543 1.00 11.83 C ATOM 874 H ALA A 135 31.234 -2.576 11.385 1.00 0.00 H ATOM 875 N GLY A 136 31.889 -5.670 11.050 1.00 10.64 N ATOM 876 CA GLY A 136 31.890 -7.007 10.488 1.00 11.14 C ATOM 877 C GLY A 136 30.518 -7.603 10.275 1.00 10.84 C ATOM 878 O GLY A 136 30.391 -8.829 10.196 1.00 12.66 O ATOM 879 H GLY A 136 32.031 -4.852 10.423 1.00 0.00 H ATOM 880 N ILE A 137 29.483 -6.777 10.157 1.00 9.53 N ATOM 881 CA ILE A 137 28.111 -7.262 10.042 1.00 9.38 C ATOM 882 C ILE A 137 27.726 -7.361 8.570 1.00 10.22 C ATOM 883 O ILE A 137 27.929 -6.415 7.804 1.00 11.31 O ATOM 884 CB ILE A 137 27.154 -6.327 10.799 1.00 9.29 C ATOM 885 CG1 ILE A 137 27.475 -6.359 12.295 1.00 10.18 C ATOM 886 CG2 ILE A 137 25.681 -6.683 10.530 1.00 9.61 C ATOM 887 CD1 ILE A 137 26.886 -5.191 13.064 1.00 10.72 C ATOM 888 H ILE A 137 29.657 -5.752 10.146 1.00 0.00 H ATOM 889 N ALA A 138 27.141 -8.497 8.181 1.00 9.62 N ATOM 890 CA ALA A 138 26.661 -8.680 6.814 1.00 9.89 C ATOM 891 C ALA A 138 25.443 -7.801 6.577 1.00 8.94 C ATOM 892 O ALA A 138 24.510 -7.786 7.386 1.00 9.26 O ATOM 893 CB ALA A 138 26.275 -10.142 6.589 1.00 10.76 C ATOM 894 H ALA A 138 27.025 -9.269 8.868 1.00 0.00 H ATOM 895 N THR A 139 25.435 -7.074 5.465 1.00 8.59 N ATOM 896 CA THR A 139 24.382 -6.102 5.214 1.00 8.81 C ATOM 897 C THR A 139 23.644 -6.410 3.921 1.00 8.35 C ATOM 898 O THR A 139 24.238 -6.876 2.944 1.00 8.55 O ATOM 899 CB THR A 139 24.942 -4.685 5.153 1.00 9.55 C ATOM 900 OG1 THR A 139 25.985 -4.621 4.176 1.00 10.57 O ATOM 901 CG2 THR A 139 25.482 -4.280 6.509 1.00 10.29 C ATOM 902 HG1 THR A 139 26.346 -3.700 4.140 1.00 0.00 H ATOM 903 H THR A 139 26.192 -7.202 4.764 1.00 0.00 H ATOM 904 N TYR A 140 22.335 -6.114 3.928 1.00 6.93 N ATOM 905 CA TYR A 140 21.417 -6.432 2.841 1.00 7.45 C ATOM 906 C TYR A 140 20.534 -5.232 2.540 1.00 7.13 C ATOM 907 O TYR A 140 20.099 -4.526 3.455 1.00 7.78 O ATOM 908 CB TYR A 140 20.497 -7.603 3.245 1.00 7.24 C ATOM 909 CG TYR A 140 21.284 -8.877 3.452 1.00 8.21 C ATOM 910 CD1 TYR A 140 21.938 -9.120 4.652 1.00 8.50 C ATOM 911 CD2 TYR A 140 21.398 -9.815 2.443 1.00 9.24 C ATOM 912 CE1 TYR A 140 22.700 -10.257 4.848 1.00 9.54 C ATOM 913 CE2 TYR A 140 22.156 -10.965 2.623 1.00 9.49 C ATOM 914 CZ TYR A 140 22.806 -11.178 3.825 1.00 10.08 C ATOM 915 OH TYR A 140 23.565 -12.307 4.015 1.00 12.18 O ATOM 916 HH TYR A 140 24.294 -12.330 3.345 1.00 0.00 H ATOM 917 H TYR A 140 21.951 -5.626 4.762 1.00 0.00 H ATOM 918 N ALA A 141 20.246 -5.030 1.256 1.00 7.06 N ATOM 919 CA ALA A 141 19.294 -4.016 0.812 1.00 7.85 C ATOM 920 C ALA A 141 18.692 -4.489 -0.502 1.00 7.73 C ATOM 921 O ALA A 141 19.279 -5.307 -1.209 1.00 8.49 O ATOM 922 CB ALA A 141 19.975 -2.658 0.588 1.00 8.32 C ATOM 923 H ALA A 141 20.718 -5.618 0.540 1.00 0.00 H ATOM 924 N ASN A 142 17.511 -3.964 -0.825 1.00 7.89 N ATOM 925 CA ASN A 142 16.963 -4.099 -2.172 1.00 7.97 C ATOM 926 C ASN A 142 18.056 -3.779 -3.189 1.00 8.66 C ATOM 927 O ASN A 142 18.800 -2.808 -3.033 1.00 8.74 O ATOM 928 CB ASN A 142 15.806 -3.091 -2.296 1.00 8.46 C ATOM 929 CG ASN A 142 15.048 -3.180 -3.610 1.00 10.02 C ATOM 930 OD1 ASN A 142 15.449 -3.865 -4.543 1.00 12.16 O ATOM 931 ND2 ASN A 142 13.936 -2.458 -3.684 1.00 10.28 N ATOM 932 HD22 ASN A 142 13.630 -1.889 -2.869 1.00 0.00 H ATOM 933 HD21 ASN A 142 13.371 -2.461 -4.557 1.00 0.00 H ATOM 934 H ASN A 142 16.968 -3.448 -0.103 1.00 0.00 H ATOM 935 N ALA A 143 18.177 -4.620 -4.219 1.00 8.60 N ATOM 936 CA ALA A 143 19.129 -4.344 -5.290 1.00 9.70 C ATOM 937 C ALA A 143 19.024 -2.907 -5.785 1.00 10.04 C ATOM 938 O ALA A 143 20.043 -2.258 -6.037 1.00 10.01 O ATOM 939 CB ALA A 143 18.923 -5.324 -6.446 1.00 11.26 C ATOM 940 H ALA A 143 17.589 -5.477 -4.258 1.00 0.00 H ATOM 941 N LEU A 144 17.800 -2.386 -5.905 1.00 9.93 N ATOM 942 CA LEU A 144 17.623 -1.017 -6.383 1.00 9.36 C ATOM 943 C LEU A 144 18.174 -0.004 -5.384 1.00 8.62 C ATOM 944 O LEU A 144 18.739 1.020 -5.786 1.00 9.45 O ATOM 945 CB LEU A 144 16.152 -0.750 -6.682 1.00 9.95 C ATOM 946 CG LEU A 144 15.818 0.651 -7.203 1.00 11.72 C ATOM 947 CD1 LEU A 144 16.627 1.012 -8.457 1.00 13.14 C ATOM 948 CD2 LEU A 144 14.324 0.774 -7.453 1.00 12.71 C ATOM 949 H LEU A 144 16.968 -2.958 -5.657 1.00 0.00 H ATOM 950 N SER A 145 18.036 -0.276 -4.080 1.00 8.50 N ATOM 951 CA SER A 145 18.663 0.584 -3.078 1.00 8.34 C ATOM 952 C SER A 145 20.178 0.615 -3.245 1.00 8.01 C ATOM 953 O SER A 145 20.799 1.681 -3.158 1.00 9.28 O ATOM 954 CB SER A 145 18.323 0.108 -1.665 1.00 7.87 C ATOM 955 OG SER A 145 16.923 0.011 -1.459 1.00 7.77 O ATOM 956 HG SER A 145 16.508 0.900 -1.594 1.00 0.00 H ATOM 957 H SER A 145 17.481 -1.102 -3.779 1.00 0.00 H ATOM 958 N ASN A 146 20.795 -0.546 -3.485 1.00 8.62 N ATOM 959 CA ASN A 146 22.241 -0.577 -3.672 1.00 8.84 C ATOM 960 C ASN A 146 22.653 0.157 -4.940 1.00 9.51 C ATOM 961 O ASN A 146 23.679 0.845 -4.956 1.00 10.32 O ATOM 962 CB ASN A 146 22.735 -2.019 -3.670 1.00 9.73 C ATOM 963 CG ASN A 146 22.690 -2.626 -2.296 1.00 9.04 C ATOM 964 OD1 ASN A 146 22.787 -1.915 -1.299 1.00 9.70 O ATOM 965 ND2 ASN A 146 22.568 -3.940 -2.230 1.00 9.40 N ATOM 966 HD22 ASN A 146 22.489 -4.499 -3.103 1.00 0.00 H ATOM 967 HD21 ASN A 146 22.551 -4.415 -1.305 1.00 0.00 H ATOM 968 H ASN A 146 20.244 -1.427 -3.538 1.00 0.00 H ATOM 969 N GLN A 147 21.857 0.039 -6.004 1.00 10.51 N ATOM 970 CA GLN A 147 22.139 0.778 -7.231 1.00 11.92 C ATOM 971 C GLN A 147 22.046 2.284 -7.007 1.00 10.88 C ATOM 972 O GLN A 147 22.861 3.052 -7.536 1.00 11.85 O ATOM 973 CB GLN A 147 21.163 0.338 -8.322 1.00 13.75 C ATOM 974 CG GLN A 147 21.396 1.004 -9.674 1.00 18.13 C ATOM 975 CD GLN A 147 20.207 0.863 -10.611 1.00 22.40 C ATOM 976 OE1 GLN A 147 19.603 1.855 -11.025 1.00 24.84 O ATOM 977 NE2 GLN A 147 19.877 -0.370 -10.961 1.00 23.83 N ATOM 978 HE22 GLN A 147 20.415 -1.178 -10.587 1.00 0.00 H ATOM 979 HE21 GLN A 147 19.080 -0.531 -11.610 1.00 0.00 H ATOM 980 H GLN A 147 21.027 -0.586 -5.959 1.00 0.00 H ATOM 981 N LEU A 148 21.053 2.723 -6.232 1.00 9.81 N ATOM 982 CA LEU A 148 20.833 4.140 -5.981 1.00 9.84 C ATOM 983 C LEU A 148 21.770 4.714 -4.929 1.00 9.66 C ATOM 984 O LEU A 148 21.940 5.937 -4.883 1.00 9.80 O ATOM 985 CB LEU A 148 19.395 4.373 -5.508 1.00 10.07 C ATOM 986 CG LEU A 148 18.294 4.128 -6.537 1.00 10.99 C ATOM 987 CD1 LEU A 148 16.942 4.173 -5.862 1.00 12.07 C ATOM 988 CD2 LEU A 148 18.373 5.140 -7.678 1.00 13.90 C ATOM 989 H LEU A 148 20.415 2.030 -5.792 1.00 0.00 H ATOM 990 N ALA A 149 22.371 3.870 -4.089 1.00 9.49 N ATOM 991 CA ALA A 149 23.109 4.374 -2.933 1.00 9.69 C ATOM 992 C ALA A 149 24.154 5.425 -3.289 1.00 10.17 C ATOM 993 O ALA A 149 24.137 6.505 -2.677 1.00 9.30 O ATOM 994 CB ALA A 149 23.674 3.219 -2.095 1.00 10.36 C ATOM 995 H ALA A 149 22.314 2.845 -4.258 1.00 0.00 H ATOM 996 N PRO A 150 25.064 5.200 -4.246 1.00 10.45 N ATOM 997 CA PRO A 150 26.094 6.225 -4.505 1.00 11.02 C ATOM 998 C PRO A 150 25.532 7.597 -4.841 1.00 10.80 C ATOM 999 O PRO A 150 25.981 8.600 -4.264 1.00 11.52 O ATOM 1000 CB PRO A 150 26.915 5.615 -5.648 1.00 12.72 C ATOM 1001 CG PRO A 150 26.722 4.142 -5.483 1.00 13.04 C ATOM 1002 CD PRO A 150 25.307 3.973 -5.031 1.00 11.74 C ATOM 1003 N GLN A 151 24.537 7.675 -5.731 1.00 10.59 N ATOM 1004 CA GLN A 151 23.989 8.978 -6.093 1.00 11.59 C ATOM 1005 C GLN A 151 23.233 9.628 -4.945 1.00 11.13 C ATOM 1006 O GLN A 151 23.117 10.858 -4.916 1.00 12.13 O ATOM 1007 CB GLN A 151 23.125 8.882 -7.359 1.00 12.95 C ATOM 1008 CG GLN A 151 21.745 8.246 -7.138 1.00 14.77 C ATOM 1009 CD GLN A 151 21.128 7.707 -8.422 1.00 16.75 C ATOM 1010 OE1 GLN A 151 21.657 6.781 -9.044 1.00 18.42 O ATOM 1011 NE2 GLN A 151 20.004 8.283 -8.821 1.00 17.01 N ATOM 1012 HE22 GLN A 151 19.593 9.061 -8.266 1.00 0.00 H ATOM 1013 HE21 GLN A 151 19.533 7.958 -9.689 1.00 0.00 H ATOM 1014 H GLN A 151 24.155 6.810 -6.164 1.00 0.00 H ATOM 1015 N GLU A 152 22.738 8.842 -3.995 1.00 9.54 N ATOM 1016 CA GLU A 152 22.069 9.380 -2.820 1.00 9.28 C ATOM 1017 C GLU A 152 23.040 9.744 -1.709 1.00 9.78 C ATOM 1018 O GLU A 152 22.602 10.200 -0.646 1.00 11.28 O ATOM 1019 CB GLU A 152 21.032 8.377 -2.303 1.00 9.71 C ATOM 1020 CG GLU A 152 19.978 8.014 -3.321 1.00 11.28 C ATOM 1021 CD GLU A 152 19.138 9.206 -3.726 1.00 13.43 C ATOM 1022 OE1 GLU A 152 18.907 10.094 -2.874 1.00 13.64 O ATOM 1023 OE2 GLU A 152 18.702 9.251 -4.894 1.00 15.73 O ATOM 1024 H GLU A 152 22.831 7.811 -4.094 1.00 0.00 H ATOM 1025 N GLY A 153 24.341 9.555 -1.926 1.00 9.55 N ATOM 1026 CA GLY A 153 25.317 9.828 -0.894 1.00 10.23 C ATOM 1027 C GLY A 153 25.452 8.726 0.125 1.00 9.98 C ATOM 1028 O GLY A 153 26.039 8.952 1.191 1.00 11.44 O ATOM 1029 H GLY A 153 24.660 9.206 -2.852 1.00 0.00 H ATOM 1030 N MET A 154 24.918 7.543 -0.168 1.00 9.79 N ATOM 1031 CA MET A 154 24.945 6.399 0.728 1.00 9.56 C ATOM 1032 C MET A 154 26.035 5.427 0.296 1.00 9.74 C ATOM 1033 O MET A 154 26.445 5.390 -0.867 1.00 11.43 O ATOM 1034 CB MET A 154 23.597 5.667 0.708 1.00 9.36 C ATOM 1035 CG MET A 154 22.388 6.482 1.138 1.00 10.20 C ATOM 1036 SD MET A 154 22.478 7.039 2.847 1.00 10.43 S ATOM 1037 CE MET A 154 22.786 8.784 2.599 1.00 10.92 C ATOM 1038 H MET A 154 24.454 7.430 -1.092 1.00 0.00 H ATOM 1039 N VAL A 155 26.472 4.613 1.249 1.00 8.72 N ATOM 1040 CA VAL A 155 27.297 3.444 0.962 1.00 9.46 C ATOM 1041 C VAL A 155 26.371 2.249 0.751 1.00 9.44 C ATOM 1042 O VAL A 155 25.436 2.031 1.531 1.00 10.53 O ATOM 1043 CB VAL A 155 28.295 3.182 2.105 1.00 10.72 C ATOM 1044 CG1 VAL A 155 29.056 1.876 1.868 1.00 12.21 C ATOM 1045 CG2 VAL A 155 29.256 4.372 2.272 1.00 11.82 C ATOM 1046 H VAL A 155 26.217 4.816 2.237 1.00 0.00 H ATOM 1047 N ALA A 156 26.616 1.482 -0.307 1.00 9.48 N ATOM 1048 CA ALA A 156 25.764 0.341 -0.605 1.00 9.89 C ATOM 1049 C ALA A 156 25.944 -0.759 0.437 1.00 9.41 C ATOM 1050 O ALA A 156 27.012 -0.918 1.040 1.00 10.21 O ATOM 1051 CB ALA A 156 26.089 -0.217 -1.994 1.00 11.06 C ATOM 1052 H ALA A 156 27.423 1.699 -0.926 1.00 0.00 H ATOM 1053 N ALA A 157 24.879 -1.525 0.646 1.00 8.52 N ATOM 1054 CA ALA A 157 25.014 -2.766 1.392 1.00 9.32 C ATOM 1055 C ALA A 157 25.847 -3.777 0.606 1.00 10.54 C ATOM 1056 O ALA A 157 26.044 -3.661 -0.607 1.00 12.18 O ATOM 1057 CB ALA A 157 23.643 -3.371 1.673 1.00 9.40 C ATOM 1058 H ALA A 157 23.950 -1.238 0.277 1.00 0.00 H ATOM 1059 N GLN A 158 26.324 -4.797 1.323 1.00 9.63 N ATOM 1060 CA GLN A 158 27.172 -5.812 0.707 1.00 10.94 C ATOM 1061 C GLN A 158 26.386 -6.760 -0.191 1.00 11.21 C ATOM 1062 O GLN A 158 26.948 -7.316 -1.144 1.00 13.05 O ATOM 1063 CB GLN A 158 27.848 -6.624 1.803 1.00 13.52 C ATOM 1064 CG GLN A 158 28.855 -5.839 2.597 1.00 16.79 C ATOM 1065 CD GLN A 158 29.246 -6.542 3.873 1.00 20.25 C ATOM 1066 OE1 GLN A 158 28.513 -7.399 4.371 1.00 21.53 O ATOM 1067 NE2 GLN A 158 30.401 -6.179 4.417 1.00 22.50 N ATOM 1068 HE22 GLN A 158 30.985 -5.451 3.959 1.00 0.00 H ATOM 1069 HE21 GLN A 158 30.722 -6.623 5.301 1.00 0.00 H ATOM 1070 H GLN A 158 26.088 -4.869 2.333 1.00 0.00 H ATOM 1071 N HIS A 159 25.106 -6.983 0.107 1.00 10.09 N ATOM 1072 CA HIS A 159 24.295 -7.966 -0.595 1.00 9.63 C ATOM 1073 C HIS A 159 22.995 -7.337 -1.070 1.00 9.10 C ATOM 1074 O HIS A 159 22.428 -6.463 -0.406 1.00 9.08 O ATOM 1075 CB HIS A 159 23.963 -9.126 0.332 1.00 10.58 C ATOM 1076 CG HIS A 159 25.167 -9.793 0.915 1.00 11.47 C ATOM 1077 ND1 HIS A 159 26.018 -10.572 0.163 1.00 13.69 N ATOM 1078 CD2 HIS A 159 25.665 -9.798 2.174 1.00 11.86 C ATOM 1079 CE1 HIS A 159 26.988 -11.029 0.934 1.00 13.56 C ATOM 1080 NE2 HIS A 159 26.797 -10.577 2.159 1.00 13.33 N ATOM 1081 H HIS A 159 24.669 -6.432 0.873 1.00 0.00 H ATOM 1082 N SER A 160 22.516 -7.812 -2.216 1.00 9.07 N ATOM 1083 CA SER A 160 21.295 -7.312 -2.834 1.00 9.32 C ATOM 1084 C SER A 160 20.164 -8.318 -2.700 1.00 9.50 C ATOM 1085 O SER A 160 20.323 -9.503 -3.023 1.00 11.79 O ATOM 1086 CB SER A 160 21.520 -6.986 -4.310 1.00 10.36 C ATOM 1087 OG SER A 160 22.372 -5.860 -4.438 1.00 11.74 O ATOM 1088 HG SER A 160 23.244 -6.057 -4.012 1.00 0.00 H ATOM 1089 H SER A 160 23.037 -8.575 -2.693 1.00 0.00 H ATOM 1090 N LEU A 161 19.021 -7.830 -2.247 1.00 8.66 N ATOM 1091 CA LEU A 161 17.790 -8.598 -2.249 1.00 9.37 C ATOM 1092 C LEU A 161 17.081 -8.388 -3.580 1.00 10.42 C ATOM 1093 O LEU A 161 17.034 -7.272 -4.108 1.00 10.93 O ATOM 1094 CB LEU A 161 16.881 -8.099 -1.125 1.00 9.12 C ATOM 1095 CG LEU A 161 17.430 -8.122 0.299 1.00 10.20 C ATOM 1096 CD1 LEU A 161 16.384 -7.565 1.254 1.00 11.95 C ATOM 1097 CD2 LEU A 161 17.816 -9.544 0.670 1.00 11.68 C ATOM 1098 H LEU A 161 19.004 -6.859 -1.875 1.00 0.00 H ATOM 1099 N THR A 162 16.527 -9.463 -4.124 1.00 10.66 N ATOM 1100 CA THR A 162 15.661 -9.346 -5.282 1.00 11.33 C ATOM 1101 C THR A 162 14.292 -9.900 -4.921 1.00 10.75 C ATOM 1102 O THR A 162 14.126 -10.607 -3.919 1.00 11.32 O ATOM 1103 CB THR A 162 16.253 -10.018 -6.533 1.00 12.48 C ATOM 1104 OG1 THR A 162 16.410 -11.416 -6.291 1.00 13.82 O ATOM 1105 CG2 THR A 162 17.607 -9.420 -6.885 1.00 13.83 C ATOM 1106 HG1 THR A 162 16.791 -11.848 -7.096 1.00 0.00 H ATOM 1107 H THR A 162 16.716 -10.401 -3.716 1.00 0.00 H ATOM 1108 N PHE A 163 13.302 -9.557 -5.736 1.00 11.04 N ATOM 1109 CA PHE A 163 11.912 -9.760 -5.364 1.00 11.84 C ATOM 1110 C PHE A 163 11.150 -10.410 -6.502 1.00 13.76 C ATOM 1111 O PHE A 163 11.368 -10.093 -7.675 1.00 15.88 O ATOM 1112 CB PHE A 163 11.273 -8.424 -4.941 1.00 12.07 C ATOM 1113 CG PHE A 163 11.898 -7.856 -3.710 1.00 10.82 C ATOM 1114 CD1 PHE A 163 13.019 -7.042 -3.800 1.00 11.32 C ATOM 1115 CD2 PHE A 163 11.411 -8.188 -2.456 1.00 10.89 C ATOM 1116 CE1 PHE A 163 13.627 -6.555 -2.664 1.00 11.99 C ATOM 1117 CE2 PHE A 163 12.020 -7.703 -1.316 1.00 11.04 C ATOM 1118 CZ PHE A 163 13.131 -6.886 -1.420 1.00 11.29 C ATOM 1119 H PHE A 163 13.526 -9.134 -6.660 1.00 0.00 H ATOM 1120 N ALA A 164 10.271 -11.340 -6.142 1.00 14.49 N ATOM 1121 CA ALA A 164 9.354 -11.922 -7.102 1.00 15.55 C ATOM 1122 C ALA A 164 8.334 -10.877 -7.551 1.00 16.25 C ATOM 1123 O ALA A 164 8.175 -9.815 -6.939 1.00 15.91 O ATOM 1124 CB ALA A 164 8.631 -13.109 -6.477 1.00 16.48 C ATOM 1125 H ALA A 164 10.241 -11.656 -5.152 1.00 0.00 H ATOM 1126 N ALA A 165 7.625 -11.197 -8.634 1.00 17.87 N ATOM 1127 CA ALA A 165 6.640 -10.263 -9.170 1.00 19.46 C ATOM 1128 C ALA A 165 5.561 -9.928 -8.151 1.00 19.52 C ATOM 1129 O ALA A 165 4.999 -8.826 -8.185 1.00 20.79 O ATOM 1130 CB ALA A 165 6.015 -10.831 -10.444 1.00 20.72 C ATOM 1131 H ALA A 165 7.774 -12.115 -9.098 1.00 0.00 H ATOM 1132 N ASN A 166 5.252 -10.854 -7.244 1.00 18.31 N ATOM 1133 CA ASN A 166 4.230 -10.604 -6.233 1.00 17.28 C ATOM 1134 C ASN A 166 4.746 -9.839 -5.016 1.00 16.32 C ATOM 1135 O ASN A 166 3.968 -9.586 -4.090 1.00 17.11 O ATOM 1136 CB ASN A 166 3.537 -11.905 -5.811 1.00 18.32 C ATOM 1137 CG ASN A 166 4.465 -12.877 -5.101 1.00 19.33 C ATOM 1138 OD1 ASN A 166 5.616 -12.559 -4.788 1.00 19.60 O ATOM 1139 ND2 ASN A 166 3.963 -14.080 -4.846 1.00 21.09 N ATOM 1140 HD22 ASN A 166 2.988 -14.307 -5.127 1.00 0.00 H ATOM 1141 HD21 ASN A 166 4.545 -14.795 -4.365 1.00 0.00 H ATOM 1142 H ASN A 166 5.747 -11.769 -7.257 1.00 0.00 H ATOM 1143 N GLY A 167 6.023 -9.462 -4.988 1.00 14.52 N ATOM 1144 CA GLY A 167 6.554 -8.634 -3.933 1.00 13.97 C ATOM 1145 C GLY A 167 7.383 -9.366 -2.898 1.00 12.55 C ATOM 1146 O GLY A 167 8.185 -8.729 -2.211 1.00 11.92 O ATOM 1147 H GLY A 167 6.657 -9.774 -5.751 1.00 0.00 H ATOM 1148 N TRP A 168 7.213 -10.675 -2.747 1.00 13.07 N ATOM 1149 CA TRP A 168 7.974 -11.370 -1.721 1.00 12.53 C ATOM 1150 C TRP A 168 9.431 -11.517 -2.144 1.00 11.72 C ATOM 1151 O TRP A 168 9.737 -11.748 -3.319 1.00 12.33 O ATOM 1152 CB TRP A 168 7.352 -12.730 -1.412 1.00 13.68 C ATOM 1153 CG TRP A 168 6.085 -12.598 -0.624 1.00 14.47 C ATOM 1154 CD1 TRP A 168 4.815 -12.852 -1.061 1.00 16.62 C ATOM 1155 CD2 TRP A 168 5.959 -12.153 0.733 1.00 14.91 C ATOM 1156 NE1 TRP A 168 3.911 -12.595 -0.059 1.00 17.12 N ATOM 1157 CE2 TRP A 168 4.587 -12.170 1.054 1.00 16.47 C ATOM 1158 CE3 TRP A 168 6.874 -11.744 1.709 1.00 15.89 C ATOM 1159 CZ2 TRP A 168 4.108 -11.797 2.309 1.00 17.54 C ATOM 1160 CZ3 TRP A 168 6.401 -11.374 2.951 1.00 16.96 C ATOM 1161 CH2 TRP A 168 5.029 -11.399 3.242 1.00 17.42 C ATOM 1162 HE1 TRP A 168 2.880 -12.705 -0.133 1.00 0.00 H ATOM 1163 H TRP A 168 6.546 -11.194 -3.353 1.00 0.00 H ATOM 1164 N VAL A 169 10.335 -11.357 -1.176 1.00 10.52 N ATOM 1165 CA VAL A 169 11.758 -11.493 -1.464 1.00 10.50 C ATOM 1166 C VAL A 169 12.039 -12.880 -2.030 1.00 11.22 C ATOM 1167 O VAL A 169 11.407 -13.879 -1.649 1.00 12.48 O ATOM 1168 CB VAL A 169 12.593 -11.208 -0.202 1.00 10.57 C ATOM 1169 CG1 VAL A 169 12.419 -12.300 0.849 1.00 11.85 C ATOM 1170 CG2 VAL A 169 14.075 -11.012 -0.544 1.00 10.46 C ATOM 1171 H VAL A 169 10.023 -11.134 -0.209 1.00 0.00 H ATOM 1172 N GLU A 170 12.965 -12.945 -2.976 1.00 11.28 N ATOM 1173 CA GLU A 170 13.448 -14.233 -3.443 1.00 12.62 C ATOM 1174 C GLU A 170 14.265 -14.848 -2.315 1.00 11.63 C ATOM 1175 O GLU A 170 15.280 -14.265 -1.910 1.00 10.49 O ATOM 1176 CB GLU A 170 14.289 -14.031 -4.697 1.00 15.09 C ATOM 1177 CG GLU A 170 13.548 -13.239 -5.771 1.00 18.03 C ATOM 1178 CD GLU A 170 14.012 -13.555 -7.174 1.00 19.32 C ATOM 1179 OE1 GLU A 170 13.671 -14.645 -7.682 1.00 20.07 O ATOM 1180 OE2 GLU A 170 14.712 -12.710 -7.773 1.00 19.62 O ATOM 1181 H GLU A 170 13.348 -12.069 -3.386 1.00 0.00 H ATOM 1182 N PRO A 171 13.853 -15.993 -1.761 1.00 12.06 N ATOM 1183 CA PRO A 171 14.460 -16.458 -0.502 1.00 12.72 C ATOM 1184 C PRO A 171 15.958 -16.687 -0.566 1.00 11.03 C ATOM 1185 O PRO A 171 16.639 -16.498 0.447 1.00 10.78 O ATOM 1186 CB PRO A 171 13.676 -17.739 -0.169 1.00 15.86 C ATOM 1187 CG PRO A 171 12.974 -18.104 -1.413 1.00 17.03 C ATOM 1188 CD PRO A 171 12.725 -16.842 -2.176 1.00 14.32 C ATOM 1189 N ALA A 172 16.497 -17.078 -1.720 1.00 10.10 N ATOM 1190 CA ALA A 172 17.937 -17.292 -1.812 1.00 10.03 C ATOM 1191 C ALA A 172 18.730 -16.017 -1.564 1.00 9.33 C ATOM 1192 O ALA A 172 19.907 -16.099 -1.189 1.00 9.66 O ATOM 1193 CB ALA A 172 18.309 -17.834 -3.192 1.00 11.93 C ATOM 1194 H ALA A 172 15.893 -17.230 -2.553 1.00 0.00 H ATOM 1195 N THR A 173 18.130 -14.843 -1.787 1.00 9.51 N ATOM 1196 CA THR A 173 18.841 -13.588 -1.582 1.00 9.16 C ATOM 1197 C THR A 173 18.781 -13.101 -0.146 1.00 9.74 C ATOM 1198 O THR A 173 19.490 -12.148 0.200 1.00 10.21 O ATOM 1199 CB THR A 173 18.358 -12.492 -2.554 1.00 9.66 C ATOM 1200 OG1 THR A 173 17.038 -12.048 -2.209 1.00 9.76 O ATOM 1201 CG2 THR A 173 18.375 -13.004 -3.993 1.00 10.88 C ATOM 1202 HG1 THR A 173 16.411 -12.813 -2.254 1.00 0.00 H ATOM 1203 H THR A 173 17.142 -14.826 -2.111 1.00 0.00 H ATOM 1204 N ALA A 174 17.973 -13.737 0.698 1.00 9.31 N ATOM 1205 CA ALA A 174 17.838 -13.356 2.101 1.00 8.62 C ATOM 1206 C ALA A 174 18.172 -14.540 3.002 1.00 8.53 C ATOM 1207 O ALA A 174 17.346 -14.962 3.818 1.00 9.78 O ATOM 1208 CB ALA A 174 16.436 -12.823 2.387 1.00 10.24 C ATOM 1209 H ALA A 174 17.414 -14.539 0.344 1.00 0.00 H ATOM 1210 N PRO A 175 19.375 -15.108 2.878 1.00 8.59 N ATOM 1211 CA PRO A 175 19.706 -16.280 3.698 1.00 9.20 C ATOM 1212 C PRO A 175 19.804 -15.899 5.167 1.00 8.07 C ATOM 1213 O PRO A 175 20.283 -14.817 5.518 1.00 8.86 O ATOM 1214 CB PRO A 175 21.075 -16.709 3.158 1.00 10.02 C ATOM 1215 CG PRO A 175 21.687 -15.413 2.691 1.00 9.85 C ATOM 1216 CD PRO A 175 20.539 -14.657 2.086 1.00 9.98 C ATOM 1217 N ASN A 176 19.358 -16.809 6.028 1.00 8.99 N ATOM 1218 CA ASN A 176 19.550 -16.681 7.473 1.00 9.87 C ATOM 1219 C ASN A 176 18.815 -15.482 8.068 1.00 9.59 C ATOM 1220 O ASN A 176 19.213 -14.950 9.110 1.00 10.70 O ATOM 1221 CB ASN A 176 21.037 -16.693 7.836 1.00 12.68 C ATOM 1222 CG ASN A 176 21.692 -17.988 7.441 1.00 14.92 C ATOM 1223 OD1 ASN A 176 21.232 -19.053 7.843 1.00 16.52 O ATOM 1224 ND2 ASN A 176 22.729 -17.918 6.608 1.00 17.84 N ATOM 1225 HD22 ASN A 176 23.083 -16.992 6.295 1.00 0.00 H ATOM 1226 HD21 ASN A 176 23.185 -18.790 6.270 1.00 0.00 H ATOM 1227 H ASN A 176 18.855 -17.642 5.661 1.00 0.00 H ATOM 1228 N PHE A 177 17.713 -15.078 7.438 1.00 9.25 N ATOM 1229 CA PHE A 177 16.921 -13.963 7.948 1.00 8.74 C ATOM 1230 C PHE A 177 16.024 -14.349 9.122 1.00 9.30 C ATOM 1231 O PHE A 177 15.368 -13.471 9.686 1.00 9.32 O ATOM 1232 CB PHE A 177 16.105 -13.313 6.825 1.00 9.90 C ATOM 1233 CG PHE A 177 16.809 -12.162 6.133 1.00 8.57 C ATOM 1234 CD1 PHE A 177 18.130 -12.273 5.715 1.00 8.71 C ATOM 1235 CD2 PHE A 177 16.146 -10.963 5.901 1.00 9.16 C ATOM 1236 CE1 PHE A 177 18.768 -11.219 5.074 1.00 9.00 C ATOM 1237 CE2 PHE A 177 16.780 -9.904 5.264 1.00 9.04 C ATOM 1238 CZ PHE A 177 18.090 -10.036 4.847 1.00 8.88 C ATOM 1239 H PHE A 177 17.412 -15.565 6.569 1.00 0.00 H ATOM 1240 N GLY A 178 15.971 -15.624 9.506 1.00 11.59 N ATOM 1241 CA GLY A 178 15.184 -16.026 10.644 1.00 11.97 C ATOM 1242 C GLY A 178 13.731 -15.607 10.519 1.00 13.10 C ATOM 1243 O GLY A 178 13.064 -15.889 9.519 1.00 14.34 O ATOM 1244 H GLY A 178 16.506 -16.341 8.976 1.00 0.00 H ATOM 1245 N PRO A 179 13.213 -14.903 11.526 1.00 12.01 N ATOM 1246 CA PRO A 179 11.805 -14.497 11.489 1.00 12.18 C ATOM 1247 C PRO A 179 11.521 -13.293 10.605 1.00 11.54 C ATOM 1248 O PRO A 179 10.352 -12.928 10.460 1.00 13.31 O ATOM 1249 CB PRO A 179 11.518 -14.166 12.955 1.00 13.26 C ATOM 1250 CG PRO A 179 12.815 -13.641 13.452 1.00 13.03 C ATOM 1251 CD PRO A 179 13.866 -14.490 12.782 1.00 12.35 C ATOM 1252 N LEU A 180 12.533 -12.662 10.010 1.00 10.44 N ATOM 1253 CA LEU A 180 12.301 -11.477 9.192 1.00 10.54 C ATOM 1254 C LEU A 180 11.750 -11.896 7.835 1.00 11.33 C ATOM 1255 O LEU A 180 12.374 -12.691 7.122 1.00 13.48 O ATOM 1256 CB LEU A 180 13.598 -10.691 9.015 1.00 11.17 C ATOM 1257 CG LEU A 180 14.282 -10.189 10.284 1.00 12.29 C ATOM 1258 CD1 LEU A 180 15.427 -9.268 9.884 1.00 12.32 C ATOM 1259 CD2 LEU A 180 13.313 -9.473 11.209 1.00 13.33 C ATOM 1260 H LEU A 180 13.502 -13.020 10.131 1.00 0.00 H ATOM 1261 N LYS A 181 10.578 -11.371 7.488 1.00 10.42 N ATOM 1262 CA LYS A 181 9.905 -11.657 6.222 1.00 10.20 C ATOM 1263 C LYS A 181 9.881 -10.357 5.434 1.00 9.91 C ATOM 1264 O LYS A 181 9.205 -9.402 5.829 1.00 11.73 O ATOM 1265 CB LYS A 181 8.478 -12.143 6.461 1.00 12.69 C ATOM 1266 CG LYS A 181 8.369 -13.439 7.247 1.00 16.57 C ATOM 1267 CD LYS A 181 6.912 -13.807 7.514 1.00 21.62 C ATOM 1268 CE LYS A 181 6.194 -14.265 6.247 1.00 23.98 C ATOM 1269 NZ LYS A 181 4.849 -14.857 6.537 1.00 26.12 N ATOM 1270 HZ1 LYS A 181 4.962 -15.682 7.160 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 4.253 -14.146 7.006 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 4.402 -15.152 5.646 1.00 0.00 H ATOM 1273 H LYS A 181 10.115 -10.721 8.154 1.00 0.00 H ATOM 1274 N VAL A 182 10.602 -10.321 4.319 1.00 9.56 N ATOM 1275 CA VAL A 182 10.843 -9.082 3.586 1.00 8.91 C ATOM 1276 C VAL A 182 9.929 -9.010 2.375 1.00 9.08 C ATOM 1277 O VAL A 182 9.846 -9.962 1.586 1.00 10.14 O ATOM 1278 CB VAL A 182 12.314 -8.970 3.165 1.00 8.90 C ATOM 1279 CG1 VAL A 182 12.560 -7.609 2.536 1.00 9.72 C ATOM 1280 CG2 VAL A 182 13.222 -9.178 4.362 1.00 10.84 C ATOM 1281 H VAL A 182 11.009 -11.206 3.956 1.00 0.00 H ATOM 1282 N PHE A 183 9.256 -7.869 2.217 1.00 8.81 N ATOM 1283 CA PHE A 183 8.237 -7.689 1.190 1.00 9.67 C ATOM 1284 C PHE A 183 8.425 -6.341 0.505 1.00 9.02 C ATOM 1285 O PHE A 183 8.544 -5.308 1.173 1.00 9.72 O ATOM 1286 CB PHE A 183 6.842 -7.759 1.824 1.00 10.78 C ATOM 1287 CG PHE A 183 5.713 -7.601 0.848 1.00 12.08 C ATOM 1288 CD1 PHE A 183 5.397 -8.617 -0.043 1.00 12.55 C ATOM 1289 CD2 PHE A 183 4.943 -6.444 0.843 1.00 12.12 C ATOM 1290 CE1 PHE A 183 4.344 -8.476 -0.932 1.00 13.62 C ATOM 1291 CE2 PHE A 183 3.884 -6.302 -0.041 1.00 12.80 C ATOM 1292 CZ PHE A 183 3.592 -7.313 -0.932 1.00 13.80 C ATOM 1293 H PHE A 183 9.467 -7.074 2.854 1.00 0.00 H ATOM 1294 N TYR A 184 8.461 -6.360 -0.827 1.00 9.30 N ATOM 1295 CA TYR A 184 8.461 -5.131 -1.609 1.00 9.71 C ATOM 1296 C TYR A 184 7.018 -4.814 -1.986 1.00 10.12 C ATOM 1297 O TYR A 184 6.424 -5.555 -2.780 1.00 11.15 O ATOM 1298 CB TYR A 184 9.310 -5.296 -2.865 1.00 9.99 C ATOM 1299 CG TYR A 184 9.201 -4.111 -3.799 1.00 10.86 C ATOM 1300 CD1 TYR A 184 9.634 -2.852 -3.398 1.00 11.01 C ATOM 1301 CD2 TYR A 184 8.647 -4.242 -5.065 1.00 12.08 C ATOM 1302 CE1 TYR A 184 9.530 -1.753 -4.234 1.00 12.18 C ATOM 1303 CE2 TYR A 184 8.534 -3.145 -5.910 1.00 12.72 C ATOM 1304 CZ TYR A 184 8.989 -1.907 -5.491 1.00 12.87 C ATOM 1305 OH TYR A 184 8.888 -0.811 -6.315 1.00 14.45 O ATOM 1306 HH TYR A 184 9.261 -0.018 -5.854 1.00 0.00 H ATOM 1307 H TYR A 184 8.490 -7.275 -1.320 1.00 0.00 H ATOM 1308 N PRO A 185 6.413 -3.755 -1.447 1.00 10.39 N ATOM 1309 CA PRO A 185 4.982 -3.513 -1.667 1.00 11.73 C ATOM 1310 C PRO A 185 4.664 -2.729 -2.928 1.00 12.28 C ATOM 1311 O PRO A 185 3.478 -2.512 -3.215 1.00 12.91 O ATOM 1312 CB PRO A 185 4.612 -2.684 -0.431 1.00 12.01 C ATOM 1313 CG PRO A 185 5.847 -1.857 -0.188 1.00 11.36 C ATOM 1314 CD PRO A 185 6.997 -2.797 -0.486 1.00 10.42 C ATOM 1315 N GLY A 186 5.684 -2.303 -3.671 1.00 12.46 N ATOM 1316 CA GLY A 186 5.495 -1.405 -4.779 1.00 12.97 C ATOM 1317 C GLY A 186 6.037 -0.036 -4.431 1.00 12.32 C ATOM 1318 O GLY A 186 6.346 0.261 -3.272 1.00 11.81 O ATOM 1319 H GLY A 186 6.645 -2.629 -3.444 1.00 0.00 H ATOM 1320 N PRO A 187 6.163 0.827 -5.432 1.00 13.06 N ATOM 1321 CA PRO A 187 6.735 2.154 -5.184 1.00 13.23 C ATOM 1322 C PRO A 187 5.777 3.032 -4.390 1.00 13.11 C ATOM 1323 O PRO A 187 4.560 3.009 -4.593 1.00 12.94 O ATOM 1324 CB PRO A 187 6.981 2.707 -6.594 1.00 14.92 C ATOM 1325 CG PRO A 187 6.101 1.923 -7.486 1.00 16.29 C ATOM 1326 CD PRO A 187 5.885 0.582 -6.856 1.00 14.43 C ATOM 1327 N GLY A 188 6.340 3.800 -3.463 1.00 12.35 N ATOM 1328 CA GLY A 188 5.541 4.670 -2.628 1.00 12.10 C ATOM 1329 C GLY A 188 6.351 5.851 -2.138 1.00 11.76 C ATOM 1330 O GLY A 188 6.568 6.807 -2.890 1.00 12.63 O ATOM 1331 H GLY A 188 7.372 3.775 -3.336 1.00 0.00 H ATOM 1332 N HIS A 189 6.795 5.801 -0.876 1.00 10.48 N ATOM 1333 CA HIS A 189 7.709 6.819 -0.361 1.00 10.09 C ATOM 1334 C HIS A 189 8.927 6.960 -1.262 1.00 10.11 C ATOM 1335 O HIS A 189 9.383 8.076 -1.538 1.00 10.64 O ATOM 1336 CB HIS A 189 8.123 6.475 1.072 1.00 10.32 C ATOM 1337 CG HIS A 189 9.284 7.280 1.581 1.00 10.24 C ATOM 1338 ND1 HIS A 189 9.164 8.600 1.962 1.00 10.35 N ATOM 1339 CD2 HIS A 189 10.589 6.957 1.754 1.00 10.12 C ATOM 1340 CE1 HIS A 189 10.343 9.050 2.359 1.00 9.88 C ATOM 1341 NE2 HIS A 189 11.225 8.071 2.250 1.00 9.66 N ATOM 1342 H HIS A 189 6.485 5.027 -0.254 1.00 0.00 H ATOM 1343 N THR A 190 9.466 5.835 -1.726 1.00 10.21 N ATOM 1344 CA THR A 190 10.461 5.792 -2.786 1.00 9.73 C ATOM 1345 C THR A 190 10.153 4.591 -3.670 1.00 10.41 C ATOM 1346 O THR A 190 9.325 3.738 -3.334 1.00 11.35 O ATOM 1347 CB THR A 190 11.890 5.621 -2.251 1.00 9.80 C ATOM 1348 OG1 THR A 190 11.966 4.401 -1.492 1.00 10.04 O ATOM 1349 CG2 THR A 190 12.314 6.807 -1.390 1.00 10.64 C ATOM 1350 HG1 THR A 190 12.886 4.286 -1.145 1.00 0.00 H ATOM 1351 H THR A 190 9.158 4.935 -1.306 1.00 0.00 H ATOM 1352 N SER A 191 10.832 4.520 -4.815 1.00 11.62 N ATOM 1353 CA SER A 191 10.641 3.369 -5.692 1.00 12.13 C ATOM 1354 C SER A 191 11.238 2.087 -5.118 1.00 11.05 C ATOM 1355 O SER A 191 10.810 0.993 -5.508 1.00 11.78 O ATOM 1356 CB SER A 191 11.236 3.642 -7.070 1.00 15.62 C ATOM 1357 OG SER A 191 10.433 4.565 -7.785 1.00 19.20 O ATOM 1358 HG SER A 191 10.383 5.416 -7.282 1.00 0.00 H ATOM 1359 H SER A 191 11.492 5.278 -5.081 1.00 0.00 H ATOM 1360 N ASP A 192 12.216 2.194 -4.218 1.00 10.44 N ATOM 1361 CA ASP A 192 12.924 1.039 -3.685 1.00 9.79 C ATOM 1362 C ASP A 192 12.459 0.623 -2.300 1.00 8.87 C ATOM 1363 O ASP A 192 13.007 -0.337 -1.752 1.00 9.15 O ATOM 1364 CB ASP A 192 14.446 1.274 -3.686 1.00 10.22 C ATOM 1365 CG ASP A 192 14.874 2.451 -2.803 1.00 10.08 C ATOM 1366 OD1 ASP A 192 14.159 3.473 -2.774 1.00 10.25 O ATOM 1367 OD2 ASP A 192 15.937 2.362 -2.145 1.00 9.29 O ATOM 1368 H ASP A 192 12.484 3.141 -3.883 1.00 0.00 H ATOM 1369 N ASN A 193 11.470 1.304 -1.718 1.00 8.85 N ATOM 1370 CA ASN A 193 11.121 1.029 -0.325 1.00 9.14 C ATOM 1371 C ASN A 193 10.687 -0.420 -0.114 1.00 8.30 C ATOM 1372 O ASN A 193 9.896 -0.970 -0.886 1.00 9.43 O ATOM 1373 CB ASN A 193 10.098 2.035 0.264 1.00 9.35 C ATOM 1374 CG ASN A 193 8.797 2.228 -0.563 1.00 10.38 C ATOM 1375 OD1 ASN A 193 8.150 3.273 -0.426 1.00 10.44 O ATOM 1376 ND2 ASN A 193 8.385 1.236 -1.345 1.00 10.93 N ATOM 1377 HD22 ASN A 193 8.957 0.372 -1.434 1.00 0.00 H ATOM 1378 HD21 ASN A 193 7.490 1.323 -1.868 1.00 0.00 H ATOM 1379 H ASN A 193 10.949 2.028 -2.253 1.00 0.00 H ATOM 1380 N ILE A 194 11.226 -1.042 0.934 1.00 8.06 N ATOM 1381 CA ILE A 194 10.839 -2.395 1.303 1.00 8.00 C ATOM 1382 C ILE A 194 10.347 -2.411 2.743 1.00 7.27 C ATOM 1383 O ILE A 194 10.512 -1.452 3.495 1.00 8.01 O ATOM 1384 CB ILE A 194 11.961 -3.429 1.074 1.00 8.18 C ATOM 1385 CG1 ILE A 194 13.216 -3.084 1.892 1.00 7.86 C ATOM 1386 CG2 ILE A 194 12.271 -3.527 -0.419 1.00 8.69 C ATOM 1387 CD1 ILE A 194 14.253 -4.190 1.878 1.00 8.10 C ATOM 1388 H ILE A 194 11.942 -0.547 1.503 1.00 0.00 H ATOM 1389 N THR A 195 9.675 -3.501 3.103 1.00 7.34 N ATOM 1390 CA THR A 195 9.009 -3.624 4.394 1.00 8.03 C ATOM 1391 C THR A 195 9.343 -4.979 5.005 1.00 7.64 C ATOM 1392 O THR A 195 9.779 -5.903 4.314 1.00 8.48 O ATOM 1393 CB THR A 195 7.482 -3.462 4.263 1.00 8.33 C ATOM 1394 OG1 THR A 195 6.942 -4.538 3.477 1.00 9.37 O ATOM 1395 CG2 THR A 195 7.130 -2.124 3.613 1.00 10.01 C ATOM 1396 HG1 THR A 195 7.351 -4.524 2.576 1.00 0.00 H ATOM 1397 H THR A 195 9.623 -4.298 2.437 1.00 0.00 H ATOM 1398 N VAL A 196 9.156 -5.099 6.319 1.00 7.90 N ATOM 1399 CA VAL A 196 9.622 -6.289 7.032 1.00 8.72 C ATOM 1400 C VAL A 196 8.597 -6.696 8.083 1.00 9.29 C ATOM 1401 O VAL A 196 8.267 -5.901 8.966 1.00 10.78 O ATOM 1402 CB VAL A 196 10.990 -6.062 7.705 1.00 9.36 C ATOM 1403 CG1 VAL A 196 11.476 -7.357 8.337 1.00 10.88 C ATOM 1404 CG2 VAL A 196 12.032 -5.519 6.720 1.00 9.87 C ATOM 1405 H VAL A 196 8.675 -4.340 6.842 1.00 0.00 H ATOM 1406 N GLY A 197 8.132 -7.940 8.021 1.00 9.79 N ATOM 1407 CA GLY A 197 7.328 -8.519 9.080 1.00 10.74 C ATOM 1408 C GLY A 197 8.194 -9.387 9.975 1.00 11.08 C ATOM 1409 O GLY A 197 9.214 -9.913 9.544 1.00 11.78 O ATOM 1410 H GLY A 197 8.352 -8.518 7.185 1.00 0.00 H ATOM 1411 N ILE A 198 7.800 -9.512 11.236 1.00 11.40 N ATOM 1412 CA ILE A 198 8.534 -10.335 12.192 1.00 12.25 C ATOM 1413 C ILE A 198 7.662 -11.535 12.535 1.00 13.01 C ATOM 1414 O ILE A 198 6.708 -11.428 13.315 1.00 13.34 O ATOM 1415 CB ILE A 198 8.955 -9.559 13.442 1.00 13.01 C ATOM 1416 CG1 ILE A 198 9.710 -8.287 13.042 1.00 14.11 C ATOM 1417 CG2 ILE A 198 9.808 -10.455 14.334 1.00 13.71 C ATOM 1418 CD1 ILE A 198 10.147 -7.438 14.199 1.00 15.67 C ATOM 1419 H ILE A 198 6.945 -9.010 11.551 1.00 0.00 H ATOM 1420 N ASP A 199 7.987 -12.683 11.946 1.00 14.18 N ATOM 1421 CA ASP A 199 7.245 -13.904 12.225 1.00 17.07 C ATOM 1422 C ASP A 199 7.309 -14.210 13.715 1.00 18.28 C ATOM 1423 O ASP A 199 8.319 -13.948 14.376 1.00 19.30 O ATOM 1424 CB ASP A 199 7.860 -15.060 11.433 1.00 20.18 C ATOM 1425 CG ASP A 199 6.822 -16.009 10.858 1.00 25.03 C ATOM 1426 OD1 ASP A 199 5.626 -15.901 11.197 1.00 27.23 O ATOM 1427 OD2 ASP A 199 7.216 -16.873 10.054 1.00 26.96 O ATOM 1428 H ASP A 199 8.783 -12.708 11.277 1.00 0.00 H ATOM 1429 N GLY A 200 6.217 -14.752 14.248 1.00 19.73 N ATOM 1430 CA GLY A 200 6.134 -15.045 15.664 1.00 21.13 C ATOM 1431 C GLY A 200 5.755 -13.874 16.540 1.00 22.08 C ATOM 1432 O GLY A 200 5.696 -14.027 17.768 1.00 24.61 O ATOM 1433 H GLY A 200 5.406 -14.970 13.635 1.00 0.00 H ATOM 1434 N THR A 201 5.516 -12.707 15.957 1.00 19.09 N ATOM 1435 CA THR A 201 5.073 -11.527 16.675 1.00 17.68 C ATOM 1436 C THR A 201 3.897 -10.930 15.926 1.00 17.29 C ATOM 1437 O THR A 201 3.544 -11.364 14.826 1.00 18.41 O ATOM 1438 CB THR A 201 6.169 -10.458 16.745 1.00 16.90 C ATOM 1439 OG1 THR A 201 6.268 -9.792 15.475 1.00 15.48 O ATOM 1440 CG2 THR A 201 7.509 -11.071 17.123 1.00 18.26 C ATOM 1441 HG1 THR A 201 6.494 -10.453 14.774 1.00 0.00 H ATOM 1442 H THR A 201 5.654 -12.634 14.929 1.00 0.00 H ATOM 1443 N ASP A 202 3.312 -9.896 16.515 1.00 16.32 N ATOM 1444 CA ASP A 202 2.259 -9.148 15.852 1.00 15.90 C ATOM 1445 C ASP A 202 2.781 -7.886 15.174 1.00 14.46 C ATOM 1446 O ASP A 202 2.005 -6.954 14.951 1.00 13.97 O ATOM 1447 CB ASP A 202 1.122 -8.833 16.827 1.00 18.31 C ATOM 1448 CG ASP A 202 1.563 -7.977 18.010 1.00 20.71 C ATOM 1449 OD1 ASP A 202 2.731 -7.534 18.062 1.00 21.39 O ATOM 1450 OD2 ASP A 202 0.719 -7.746 18.905 1.00 22.68 O ATOM 1451 H ASP A 202 3.613 -9.615 17.470 1.00 0.00 H ATOM 1452 N ILE A 203 4.070 -7.845 14.833 1.00 12.85 N ATOM 1453 CA ILE A 203 4.751 -6.623 14.414 1.00 12.02 C ATOM 1454 C ILE A 203 5.060 -6.694 12.925 1.00 10.92 C ATOM 1455 O ILE A 203 5.590 -7.702 12.440 1.00 11.66 O ATOM 1456 CB ILE A 203 6.041 -6.400 15.223 1.00 12.67 C ATOM 1457 CG1 ILE A 203 5.717 -6.142 16.698 1.00 13.54 C ATOM 1458 CG2 ILE A 203 6.870 -5.263 14.620 1.00 13.28 C ATOM 1459 CD1 ILE A 203 6.925 -6.199 17.608 1.00 14.75 C ATOM 1460 H ILE A 203 4.618 -8.728 14.867 1.00 0.00 H ATOM 1461 N ALA A 204 4.761 -5.609 12.209 1.00 10.68 N ATOM 1462 CA ALA A 204 5.281 -5.386 10.869 1.00 10.60 C ATOM 1463 C ALA A 204 5.815 -3.962 10.766 1.00 9.59 C ATOM 1464 O ALA A 204 5.277 -3.030 11.375 1.00 11.74 O ATOM 1465 CB ALA A 204 4.238 -5.640 9.778 1.00 12.04 C ATOM 1466 H ALA A 204 4.131 -4.894 12.625 1.00 0.00 H ATOM 1467 N PHE A 205 6.882 -3.802 9.980 1.00 9.51 N ATOM 1468 CA PHE A 205 7.620 -2.546 9.862 1.00 8.70 C ATOM 1469 C PHE A 205 7.427 -1.970 8.465 1.00 8.84 C ATOM 1470 O PHE A 205 7.839 -2.582 7.472 1.00 9.39 O ATOM 1471 CB PHE A 205 9.106 -2.781 10.129 1.00 8.90 C ATOM 1472 CG PHE A 205 9.947 -1.532 10.053 1.00 8.75 C ATOM 1473 CD1 PHE A 205 9.853 -0.565 11.036 1.00 10.84 C ATOM 1474 CD2 PHE A 205 10.851 -1.344 9.023 1.00 9.08 C ATOM 1475 CE1 PHE A 205 10.629 0.576 10.980 1.00 10.09 C ATOM 1476 CE2 PHE A 205 11.638 -0.212 8.967 1.00 9.19 C ATOM 1477 CZ PHE A 205 11.534 0.746 9.949 1.00 9.21 C ATOM 1478 H PHE A 205 7.206 -4.616 9.420 1.00 0.00 H ATOM 1479 N GLY A 206 6.820 -0.790 8.390 1.00 8.99 N ATOM 1480 CA GLY A 206 6.590 -0.150 7.114 1.00 9.24 C ATOM 1481 C GLY A 206 7.633 0.878 6.716 1.00 9.67 C ATOM 1482 O GLY A 206 7.588 1.398 5.596 1.00 10.62 O ATOM 1483 H GLY A 206 6.506 -0.320 9.263 1.00 0.00 H ATOM 1484 N GLY A 207 8.567 1.199 7.613 1.00 9.34 N ATOM 1485 CA GLY A 207 9.597 2.168 7.259 1.00 9.79 C ATOM 1486 C GLY A 207 8.986 3.514 6.932 1.00 9.55 C ATOM 1487 O GLY A 207 8.043 3.969 7.588 1.00 10.75 O ATOM 1488 H GLY A 207 8.560 0.762 8.557 1.00 0.00 H ATOM 1489 N CYS A 208 9.509 4.166 5.897 1.00 8.83 N ATOM 1490 CA CYS A 208 8.956 5.476 5.577 1.00 10.60 C ATOM 1491 C CYS A 208 7.721 5.416 4.689 1.00 10.38 C ATOM 1492 O CYS A 208 7.149 6.467 4.387 1.00 11.80 O ATOM 1493 CB CYS A 208 9.984 6.420 4.968 1.00 10.39 C ATOM 1494 SG CYS A 208 11.445 6.762 5.946 1.00 9.74 S ATOM 1495 H CYS A 208 10.284 3.756 5.337 1.00 0.00 H ATOM 1496 N LEU A 209 7.286 4.228 4.279 1.00 9.79 N ATOM 1497 CA LEU A 209 6.054 4.126 3.504 1.00 10.33 C ATOM 1498 C LEU A 209 4.834 4.510 4.338 1.00 9.95 C ATOM 1499 O LEU A 209 3.897 5.142 3.828 1.00 10.72 O ATOM 1500 CB LEU A 209 5.909 2.696 2.982 1.00 10.66 C ATOM 1501 CG LEU A 209 4.655 2.395 2.172 1.00 10.41 C ATOM 1502 CD1 LEU A 209 4.689 3.125 0.835 1.00 11.43 C ATOM 1503 CD2 LEU A 209 4.522 0.898 1.969 1.00 11.21 C ATOM 1504 H LEU A 209 7.825 3.370 4.511 1.00 0.00 H ATOM 1505 N ILE A 210 4.818 4.132 5.615 1.00 10.78 N ATOM 1506 CA ILE A 210 3.631 4.235 6.457 1.00 11.07 C ATOM 1507 C ILE A 210 3.799 5.387 7.439 1.00 10.85 C ATOM 1508 O ILE A 210 4.862 5.544 8.053 1.00 10.71 O ATOM 1509 CB ILE A 210 3.371 2.907 7.196 1.00 11.18 C ATOM 1510 CG1 ILE A 210 3.188 1.758 6.196 1.00 10.99 C ATOM 1511 CG2 ILE A 210 2.172 3.024 8.117 1.00 11.90 C ATOM 1512 CD1 ILE A 210 2.016 1.925 5.263 1.00 12.00 C ATOM 1513 H ILE A 210 5.690 3.746 6.030 1.00 0.00 H ATOM 1514 N LYS A 211 2.745 6.189 7.586 1.00 11.40 N ATOM 1515 CA LYS A 211 2.651 7.250 8.583 1.00 12.69 C ATOM 1516 C LYS A 211 1.571 6.889 9.599 1.00 12.95 C ATOM 1517 O LYS A 211 0.714 6.041 9.344 1.00 13.21 O ATOM 1518 CB LYS A 211 2.273 8.586 7.929 1.00 14.03 C ATOM 1519 CG LYS A 211 2.959 8.856 6.609 1.00 15.93 C ATOM 1520 CD LYS A 211 4.460 8.951 6.780 1.00 17.29 C ATOM 1521 CE LYS A 211 5.144 9.024 5.433 1.00 18.38 C ATOM 1522 NZ LYS A 211 6.622 9.046 5.534 1.00 18.14 N ATOM 1523 HZ1 LYS A 211 6.918 9.877 6.085 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 6.949 8.180 6.008 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 7.033 9.096 4.580 1.00 0.00 H ATOM 1526 H LYS A 211 1.936 6.049 6.948 1.00 0.00 H ATOM 1527 N ASP A 212 1.606 7.542 10.759 1.00 13.49 N ATOM 1528 CA ASP A 212 0.688 7.142 11.820 1.00 14.62 C ATOM 1529 C ASP A 212 -0.751 7.559 11.496 1.00 14.27 C ATOM 1530 O ASP A 212 -1.013 8.346 10.583 1.00 14.11 O ATOM 1531 CB ASP A 212 1.154 7.673 13.174 1.00 18.02 C ATOM 1532 CG ASP A 212 1.001 9.173 13.296 1.00 20.66 C ATOM 1533 OD1 ASP A 212 -0.127 9.635 13.540 1.00 21.80 O ATOM 1534 OD2 ASP A 212 2.007 9.898 13.155 1.00 23.80 O ATOM 1535 H ASP A 212 2.276 8.324 10.906 1.00 0.00 H ATOM 1536 N SER A 213 -1.693 6.993 12.260 1.00 14.17 N ATOM 1537 CA SER A 213 -3.123 7.138 11.986 1.00 15.88 C ATOM 1538 C SER A 213 -3.635 8.562 12.161 1.00 16.89 C ATOM 1539 O SER A 213 -4.770 8.844 11.756 1.00 17.58 O ATOM 1540 CB SER A 213 -3.935 6.185 12.866 1.00 17.98 C ATOM 1541 OG SER A 213 -3.749 6.475 14.240 1.00 19.68 O ATOM 1542 HG SER A 213 -2.791 6.379 14.469 1.00 0.00 H ATOM 1543 H SER A 213 -1.397 6.428 13.081 1.00 0.00 H ATOM 1544 N LYS A 214 -2.852 9.456 12.761 1.00 17.35 N ATOM 1545 CA LYS A 214 -3.236 10.854 12.899 1.00 20.03 C ATOM 1546 C LYS A 214 -2.335 11.787 12.102 1.00 18.28 C ATOM 1547 O LYS A 214 -2.421 13.009 12.265 1.00 19.46 O ATOM 1548 CB LYS A 214 -3.257 11.258 14.375 1.00 23.40 C ATOM 1549 CG LYS A 214 -4.305 10.530 15.200 1.00 26.85 C ATOM 1550 CD LYS A 214 -4.458 11.161 16.571 1.00 30.13 C ATOM 1551 CE LYS A 214 -5.629 10.554 17.330 1.00 32.70 C ATOM 1552 NZ LYS A 214 -6.945 10.903 16.719 1.00 33.91 N ATOM 1553 HZ1 LYS A 214 -7.063 11.936 16.719 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 -6.977 10.549 15.742 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 -7.710 10.466 17.272 1.00 0.00 H ATOM 1556 H LYS A 214 -1.936 9.146 13.144 1.00 0.00 H ATOM 1557 N ALA A 215 -1.482 11.242 11.237 1.00 16.73 N ATOM 1558 CA ALA A 215 -0.522 12.067 10.518 1.00 15.67 C ATOM 1559 C ALA A 215 -1.231 13.045 9.590 1.00 16.64 C ATOM 1560 O ALA A 215 -2.257 12.726 8.980 1.00 16.86 O ATOM 1561 CB ALA A 215 0.432 11.180 9.713 1.00 16.37 C ATOM 1562 H ALA A 215 -1.502 10.215 11.073 1.00 0.00 H ATOM 1563 N LYS A 216 -0.672 14.246 9.487 1.00 18.30 N ATOM 1564 CA LYS A 216 -1.249 15.287 8.651 1.00 20.45 C ATOM 1565 C LYS A 216 -0.749 15.247 7.216 1.00 20.29 C ATOM 1566 O LYS A 216 -1.342 15.896 6.352 1.00 22.19 O ATOM 1567 CB LYS A 216 -0.978 16.664 9.256 1.00 24.38 C ATOM 1568 CG LYS A 216 -2.000 17.084 10.291 1.00 28.18 C ATOM 1569 CD LYS A 216 -1.594 18.382 10.980 1.00 31.04 C ATOM 1570 CE LYS A 216 -1.018 19.393 9.995 1.00 33.27 C ATOM 1571 NZ LYS A 216 -1.232 20.797 10.450 1.00 35.20 N ATOM 1572 HZ1 LYS A 216 -2.252 20.978 10.544 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 -0.767 20.937 11.370 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 -0.826 21.452 9.752 1.00 0.00 H ATOM 1575 H LYS A 216 0.200 14.447 10.017 1.00 0.00 H ATOM 1576 N SER A 217 0.311 14.500 6.929 1.00 18.91 N ATOM 1577 CA SER A 217 0.834 14.477 5.573 1.00 18.56 C ATOM 1578 C SER A 217 1.623 13.196 5.365 1.00 17.76 C ATOM 1579 O SER A 217 1.871 12.427 6.298 1.00 17.15 O ATOM 1580 CB SER A 217 1.721 15.692 5.295 1.00 19.85 C ATOM 1581 OG SER A 217 3.041 15.457 5.745 1.00 21.08 O ATOM 1582 HG SER A 217 3.599 16.253 5.557 1.00 0.00 H ATOM 1583 H SER A 217 0.766 13.933 7.673 1.00 0.00 H ATOM 1584 N LEU A 218 2.024 12.985 4.116 1.00 16.62 N ATOM 1585 CA LEU A 218 2.866 11.854 3.760 1.00 16.98 C ATOM 1586 C LEU A 218 4.353 12.184 3.811 1.00 16.58 C ATOM 1587 O LEU A 218 5.169 11.405 3.312 1.00 17.06 O ATOM 1588 CB LEU A 218 2.459 11.298 2.394 1.00 17.85 C ATOM 1589 CG LEU A 218 1.070 10.657 2.373 1.00 18.17 C ATOM 1590 CD1 LEU A 218 0.626 10.377 0.950 1.00 19.71 C ATOM 1591 CD2 LEU A 218 1.057 9.388 3.203 1.00 17.92 C ATOM 1592 H LEU A 218 1.727 13.648 3.372 1.00 0.00 H ATOM 1593 N GLY A 219 4.723 13.317 4.403 1.00 16.48 N ATOM 1594 CA GLY A 219 6.134 13.576 4.666 1.00 15.99 C ATOM 1595 C GLY A 219 6.886 13.969 3.410 1.00 15.36 C ATOM 1596 O GLY A 219 6.401 14.748 2.580 1.00 16.34 O ATOM 1597 H GLY A 219 4.006 14.018 4.678 1.00 0.00 H ATOM 1598 N ASN A 220 8.094 13.427 3.267 1.00 14.87 N ATOM 1599 CA ASN A 220 8.982 13.797 2.171 1.00 14.44 C ATOM 1600 C ASN A 220 8.599 13.004 0.931 1.00 14.56 C ATOM 1601 O ASN A 220 8.877 11.803 0.841 1.00 14.57 O ATOM 1602 CB ASN A 220 10.438 13.527 2.534 1.00 15.48 C ATOM 1603 CG ASN A 220 11.359 13.677 1.341 1.00 15.57 C ATOM 1604 OD1 ASN A 220 11.132 14.538 0.486 1.00 16.64 O ATOM 1605 ND2 ASN A 220 12.391 12.835 1.261 1.00 15.44 N ATOM 1606 HD22 ASN A 220 12.542 12.125 2.006 1.00 0.00 H ATOM 1607 HD21 ASN A 220 13.044 12.888 0.453 1.00 0.00 H ATOM 1608 H ASN A 220 8.414 12.718 3.958 1.00 0.00 H ATOM 1609 N LEU A 221 8.009 13.683 -0.046 1.00 15.28 N ATOM 1610 CA LEU A 221 7.608 13.067 -1.300 1.00 15.93 C ATOM 1611 C LEU A 221 8.606 13.333 -2.423 1.00 14.62 C ATOM 1612 O LEU A 221 8.296 13.067 -3.590 1.00 15.28 O ATOM 1613 CB LEU A 221 6.200 13.526 -1.695 1.00 17.32 C ATOM 1614 CG LEU A 221 5.079 13.099 -0.739 1.00 17.84 C ATOM 1615 CD1 LEU A 221 3.737 13.668 -1.183 1.00 18.79 C ATOM 1616 CD2 LEU A 221 5.004 11.576 -0.621 1.00 18.54 C ATOM 1617 H LEU A 221 7.826 14.698 0.092 1.00 0.00 H ATOM 1618 N GLY A 222 9.805 13.829 -2.092 1.00 14.54 N ATOM 1619 CA GLY A 222 10.765 14.195 -3.124 1.00 14.76 C ATOM 1620 C GLY A 222 11.109 13.064 -4.075 1.00 14.65 C ATOM 1621 O GLY A 222 11.333 13.297 -5.269 1.00 15.42 O ATOM 1622 H GLY A 222 10.053 13.954 -1.090 1.00 0.00 H ATOM 1623 N ASP A 223 11.155 11.831 -3.570 1.00 12.64 N ATOM 1624 CA ASP A 223 11.496 10.662 -4.377 1.00 12.18 C ATOM 1625 C ASP A 223 10.327 9.693 -4.484 1.00 11.93 C ATOM 1626 O ASP A 223 10.513 8.526 -4.852 1.00 11.80 O ATOM 1627 CB ASP A 223 12.738 9.963 -3.818 1.00 13.10 C ATOM 1628 CG ASP A 223 13.993 10.806 -3.967 1.00 13.75 C ATOM 1629 OD1 ASP A 223 14.192 11.367 -5.063 1.00 16.52 O ATOM 1630 OD2 ASP A 223 14.770 10.928 -3.002 1.00 13.26 O ATOM 1631 H ASP A 223 10.940 11.696 -2.562 1.00 0.00 H ATOM 1632 N ALA A 224 9.122 10.167 -4.196 1.00 11.97 N ATOM 1633 CA ALA A 224 7.957 9.315 -4.091 1.00 13.12 C ATOM 1634 C ALA A 224 7.336 9.046 -5.454 1.00 14.33 C ATOM 1635 O ALA A 224 7.527 9.788 -6.424 1.00 16.19 O ATOM 1636 CB ALA A 224 6.918 9.964 -3.179 1.00 13.87 C ATOM 1637 H ALA A 224 9.010 11.189 -4.040 1.00 0.00 H ATOM 1638 N ASP A 225 6.571 7.966 -5.504 1.00 14.15 N ATOM 1639 CA ASP A 225 5.723 7.615 -6.639 1.00 14.89 C ATOM 1640 C ASP A 225 4.294 7.909 -6.194 1.00 15.09 C ATOM 1641 O ASP A 225 3.655 7.082 -5.532 1.00 15.83 O ATOM 1642 CB ASP A 225 5.918 6.141 -6.987 1.00 16.29 C ATOM 1643 CG ASP A 225 5.177 5.720 -8.250 1.00 18.31 C ATOM 1644 OD1 ASP A 225 4.089 6.261 -8.530 1.00 18.88 O ATOM 1645 OD2 ASP A 225 5.679 4.826 -8.962 1.00 19.87 O ATOM 1646 H ASP A 225 6.575 7.328 -4.683 1.00 0.00 H ATOM 1647 N THR A 226 3.797 9.098 -6.547 1.00 16.86 N ATOM 1648 CA THR A 226 2.499 9.527 -6.034 1.00 18.87 C ATOM 1649 C THR A 226 1.353 8.726 -6.638 1.00 18.58 C ATOM 1650 O THR A 226 0.322 8.533 -5.980 1.00 19.61 O ATOM 1651 CB THR A 226 2.312 11.027 -6.255 1.00 20.77 C ATOM 1652 OG1 THR A 226 2.429 11.320 -7.652 1.00 22.13 O ATOM 1653 CG2 THR A 226 3.375 11.809 -5.484 1.00 21.24 C ATOM 1654 HG1 THR A 226 1.734 10.822 -8.152 1.00 0.00 H ATOM 1655 H THR A 226 4.334 9.717 -7.187 1.00 0.00 H ATOM 1656 N GLU A 227 1.515 8.244 -7.873 1.00 17.38 N ATOM 1657 CA GLU A 227 0.451 7.479 -8.518 1.00 19.14 C ATOM 1658 C GLU A 227 0.227 6.141 -7.822 1.00 16.50 C ATOM 1659 O GLU A 227 -0.921 5.705 -7.658 1.00 16.89 O ATOM 1660 CB GLU A 227 0.790 7.275 -9.997 1.00 23.72 C ATOM 1661 CG GLU A 227 0.022 6.153 -10.684 1.00 29.69 C ATOM 1662 CD GLU A 227 0.501 5.895 -12.106 1.00 34.72 C ATOM 1663 OE1 GLU A 227 -0.058 4.992 -12.767 1.00 36.60 O ATOM 1664 OE2 GLU A 227 1.436 6.589 -12.559 1.00 36.76 O ATOM 1665 H GLU A 227 2.407 8.415 -8.380 1.00 0.00 H ATOM 1666 N HIS A 228 1.304 5.491 -7.375 1.00 15.34 N ATOM 1667 CA HIS A 228 1.227 4.127 -6.863 1.00 15.36 C ATOM 1668 C HIS A 228 1.242 4.032 -5.343 1.00 13.78 C ATOM 1669 O HIS A 228 1.053 2.932 -4.813 1.00 13.09 O ATOM 1670 CB HIS A 228 2.363 3.274 -7.442 1.00 17.75 C ATOM 1671 CG HIS A 228 2.297 3.114 -8.927 1.00 19.97 C ATOM 1672 ND1 HIS A 228 3.179 3.739 -9.782 1.00 20.84 N ATOM 1673 CD2 HIS A 228 1.453 2.403 -9.710 1.00 21.65 C ATOM 1674 CE1 HIS A 228 2.883 3.417 -11.028 1.00 21.76 C ATOM 1675 NE2 HIS A 228 1.840 2.608 -11.012 1.00 22.45 N ATOM 1676 H HIS A 228 2.226 5.972 -7.392 1.00 0.00 H ATOM 1677 N TYR A 229 1.433 5.151 -4.639 1.00 13.19 N ATOM 1678 CA TYR A 229 1.598 5.133 -3.188 1.00 12.23 C ATOM 1679 C TYR A 229 0.454 4.410 -2.482 1.00 11.77 C ATOM 1680 O TYR A 229 0.690 3.547 -1.629 1.00 11.77 O ATOM 1681 CB TYR A 229 1.717 6.576 -2.683 1.00 12.21 C ATOM 1682 CG TYR A 229 2.440 6.746 -1.363 1.00 11.75 C ATOM 1683 CD1 TYR A 229 2.038 6.048 -0.227 1.00 12.01 C ATOM 1684 CD2 TYR A 229 3.502 7.636 -1.244 1.00 12.34 C ATOM 1685 CE1 TYR A 229 2.693 6.207 0.980 1.00 11.41 C ATOM 1686 CE2 TYR A 229 4.165 7.805 -0.039 1.00 11.85 C ATOM 1687 CZ TYR A 229 3.757 7.089 1.068 1.00 11.36 C ATOM 1688 OH TYR A 229 4.416 7.258 2.267 1.00 11.63 O ATOM 1689 HH TYR A 229 4.003 6.677 2.954 1.00 0.00 H ATOM 1690 H TYR A 229 1.465 6.062 -5.139 1.00 0.00 H ATOM 1691 N ALA A 230 -0.795 4.767 -2.802 1.00 11.04 N ATOM 1692 CA ALA A 230 -1.923 4.196 -2.070 1.00 11.77 C ATOM 1693 C ALA A 230 -1.955 2.678 -2.200 1.00 11.46 C ATOM 1694 O ALA A 230 -2.145 1.964 -1.209 1.00 12.66 O ATOM 1695 CB ALA A 230 -3.235 4.805 -2.566 1.00 12.41 C ATOM 1696 H ALA A 230 -0.962 5.449 -3.569 1.00 0.00 H ATOM 1697 N ALA A 231 -1.778 2.164 -3.419 1.00 12.08 N ATOM 1698 CA ALA A 231 -1.808 0.717 -3.618 1.00 12.64 C ATOM 1699 C ALA A 231 -0.641 0.037 -2.915 1.00 12.04 C ATOM 1700 O ALA A 231 -0.786 -1.071 -2.386 1.00 12.68 O ATOM 1701 CB ALA A 231 -1.795 0.396 -5.110 1.00 13.92 C ATOM 1702 H ALA A 231 -1.618 2.796 -4.230 1.00 0.00 H ATOM 1703 N SER A 232 0.521 0.691 -2.893 1.00 11.38 N ATOM 1704 CA SER A 232 1.675 0.120 -2.212 1.00 10.93 C ATOM 1705 C SER A 232 1.443 0.043 -0.710 1.00 10.76 C ATOM 1706 O SER A 232 1.765 -0.968 -0.082 1.00 10.65 O ATOM 1707 CB SER A 232 2.920 0.933 -2.546 1.00 11.93 C ATOM 1708 OG SER A 232 3.177 0.823 -3.934 1.00 12.80 O ATOM 1709 HG SER A 232 3.985 1.348 -4.162 1.00 0.00 H ATOM 1710 H SER A 232 0.604 1.614 -3.365 1.00 0.00 H ATOM 1711 N ALA A 233 0.875 1.099 -0.119 1.00 11.08 N ATOM 1712 CA ALA A 233 0.534 1.049 1.298 1.00 11.97 C ATOM 1713 C ALA A 233 -0.445 -0.082 1.588 1.00 11.30 C ATOM 1714 O ALA A 233 -0.280 -0.813 2.572 1.00 12.14 O ATOM 1715 CB ALA A 233 -0.036 2.396 1.757 1.00 12.48 C ATOM 1716 H ALA A 233 0.676 1.958 -0.671 1.00 0.00 H ATOM 1717 N ARG A 234 -1.479 -0.239 0.750 1.00 12.08 N ATOM 1718 CA ARG A 234 -2.446 -1.315 0.962 1.00 11.84 C ATOM 1719 C ARG A 234 -1.814 -2.687 0.761 1.00 11.51 C ATOM 1720 O ARG A 234 -2.148 -3.636 1.485 1.00 12.87 O ATOM 1721 CB ARG A 234 -3.674 -1.115 0.072 1.00 12.79 C ATOM 1722 CG ARG A 234 -4.508 0.054 0.542 1.00 12.59 C ATOM 1723 CD ARG A 234 -5.768 0.285 -0.276 1.00 13.74 C ATOM 1724 NE ARG A 234 -6.509 1.389 0.327 1.00 14.33 N ATOM 1725 CZ ARG A 234 -6.701 2.572 -0.247 1.00 14.40 C ATOM 1726 NH1 ARG A 234 -6.240 2.813 -1.471 1.00 14.72 N ATOM 1727 NH2 ARG A 234 -7.349 3.519 0.413 1.00 14.34 N ATOM 1728 HE ARG A 234 -6.915 1.239 1.273 1.00 0.00 H ATOM 1729 HH12 ARG A 234 -6.395 3.742 -1.912 1.00 0.00 H ATOM 1730 HH11 ARG A 234 -5.724 2.072 -1.988 1.00 0.00 H ATOM 1731 HH22 ARG A 234 -7.504 4.448 -0.029 1.00 0.00 H ATOM 1732 HH21 ARG A 234 -7.703 3.334 1.373 1.00 0.00 H ATOM 1733 H ARG A 234 -1.594 0.408 -0.056 1.00 0.00 H ATOM 1734 N ALA A 235 -0.867 -2.798 -0.174 1.00 11.77 N ATOM 1735 CA ALA A 235 -0.204 -4.078 -0.391 1.00 12.20 C ATOM 1736 C ALA A 235 0.627 -4.481 0.820 1.00 11.84 C ATOM 1737 O ALA A 235 0.683 -5.666 1.171 1.00 13.13 O ATOM 1738 CB ALA A 235 0.645 -4.021 -1.658 1.00 12.93 C ATOM 1739 H ALA A 235 -0.603 -1.971 -0.747 1.00 0.00 H ATOM 1740 N PHE A 236 1.277 -3.508 1.473 1.00 10.89 N ATOM 1741 CA PHE A 236 1.958 -3.782 2.736 1.00 10.65 C ATOM 1742 C PHE A 236 0.995 -4.378 3.759 1.00 10.94 C ATOM 1743 O PHE A 236 1.293 -5.399 4.387 1.00 12.03 O ATOM 1744 CB PHE A 236 2.622 -2.506 3.265 1.00 10.69 C ATOM 1745 CG PHE A 236 3.019 -2.579 4.715 1.00 9.39 C ATOM 1746 CD1 PHE A 236 4.097 -3.360 5.124 1.00 9.47 C ATOM 1747 CD2 PHE A 236 2.321 -1.847 5.671 1.00 10.13 C ATOM 1748 CE1 PHE A 236 4.473 -3.420 6.460 1.00 9.93 C ATOM 1749 CE2 PHE A 236 2.685 -1.899 7.009 1.00 10.55 C ATOM 1750 CZ PHE A 236 3.770 -2.683 7.407 1.00 10.23 C ATOM 1751 H PHE A 236 1.297 -2.547 1.076 1.00 0.00 H ATOM 1752 N GLY A 237 -0.182 -3.763 3.928 1.00 11.69 N ATOM 1753 CA GLY A 237 -1.163 -4.310 4.855 1.00 12.07 C ATOM 1754 C GLY A 237 -1.585 -5.724 4.502 1.00 12.02 C ATOM 1755 O GLY A 237 -1.711 -6.584 5.379 1.00 13.28 O ATOM 1756 H GLY A 237 -0.396 -2.895 3.397 1.00 0.00 H ATOM 1757 N ALA A 238 -1.786 -5.990 3.213 1.00 12.45 N ATOM 1758 CA ALA A 238 -2.247 -7.306 2.781 1.00 13.10 C ATOM 1759 C ALA A 238 -1.169 -8.373 2.927 1.00 13.82 C ATOM 1760 O ALA A 238 -1.492 -9.563 3.048 1.00 15.71 O ATOM 1761 CB ALA A 238 -2.720 -7.236 1.330 1.00 14.36 C ATOM 1762 H ALA A 238 -1.612 -5.250 2.504 1.00 0.00 H ATOM 1763 N ALA A 239 0.108 -7.975 2.890 1.00 12.89 N ATOM 1764 CA ALA A 239 1.194 -8.941 3.028 1.00 12.73 C ATOM 1765 C ALA A 239 1.336 -9.422 4.463 1.00 13.01 C ATOM 1766 O ALA A 239 1.800 -10.545 4.699 1.00 13.86 O ATOM 1767 CB ALA A 239 2.512 -8.334 2.544 1.00 13.22 C ATOM 1768 H ALA A 239 0.329 -6.967 2.762 1.00 0.00 H ATOM 1769 N PHE A 240 0.952 -8.593 5.411 1.00 12.41 N ATOM 1770 CA PHE A 240 1.083 -8.893 6.820 1.00 12.27 C ATOM 1771 C PHE A 240 -0.260 -8.703 7.567 1.00 13.58 C ATOM 1772 O PHE A 240 -0.399 -7.911 8.428 1.00 13.66 O ATOM 1773 CB PHE A 240 2.192 -7.982 7.452 1.00 12.43 C ATOM 1774 CG PHE A 240 3.533 -8.082 6.753 1.00 11.83 C ATOM 1775 CD1 PHE A 240 4.280 -9.206 6.832 1.00 12.83 C ATOM 1776 CD2 PHE A 240 3.949 -7.040 5.979 1.00 11.85 C ATOM 1777 CE1 PHE A 240 5.508 -9.264 6.182 1.00 12.14 C ATOM 1778 CE2 PHE A 240 5.173 -7.086 5.305 1.00 11.84 C ATOM 1779 CZ PHE A 240 5.954 -8.205 5.427 1.00 12.20 C ATOM 1780 H PHE A 240 0.536 -7.681 5.134 1.00 0.00 H ATOM 1781 N PRO A 241 -1.263 -9.535 7.224 1.00 15.40 N ATOM 1782 CA PRO A 241 -2.610 -9.363 7.810 1.00 17.80 C ATOM 1783 C PRO A 241 -2.655 -9.607 9.302 1.00 21.04 C ATOM 1784 O PRO A 241 -3.505 -9.086 9.921 1.00 23.67 O ATOM 1785 CB PRO A 241 -3.437 -10.384 7.009 1.00 18.98 C ATOM 1786 CG PRO A 241 -2.460 -11.443 6.572 1.00 18.15 C ATOM 1787 CD PRO A 241 -1.191 -10.644 6.244 1.00 16.73 C ATOM 1788 N LYS A 242 -1.784 -10.379 9.864 1.00 23.22 N ATOM 1789 CA LYS A 242 -1.783 -10.656 11.287 1.00 25.85 C ATOM 1790 C LYS A 242 -1.079 -9.583 12.149 1.00 23.73 C ATOM 1791 O LYS A 242 -1.146 -9.646 13.334 1.00 26.15 O ATOM 1792 CB LYS A 242 -1.083 -12.009 11.578 1.00 29.60 C ATOM 1793 CG LYS A 242 -1.482 -13.289 10.789 1.00 33.32 C ATOM 1794 CD LYS A 242 -0.640 -14.465 11.328 1.00 36.29 C ATOM 1795 CE LYS A 242 -1.062 -15.843 10.875 1.00 38.34 C ATOM 1796 NZ LYS A 242 0.092 -16.778 11.054 1.00 39.46 N ATOM 1797 HZ1 LYS A 242 0.896 -16.448 10.483 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 0.364 -16.802 12.057 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 -0.185 -17.732 10.746 1.00 0.00 H ATOM 1800 H LYS A 242 -1.053 -10.820 9.270 1.00 0.00 H ATOM 1801 N ALA A 243 -0.421 -8.579 11.519 1.00 18.74 N ATOM 1802 CA ALA A 243 0.336 -7.578 12.257 1.00 16.31 C ATOM 1803 C ALA A 243 -0.625 -6.549 12.836 1.00 15.84 C ATOM 1804 O ALA A 243 -1.233 -5.766 12.100 1.00 17.70 O ATOM 1805 CB ALA A 243 1.353 -6.915 11.337 1.00 14.85 C ATOM 1806 H ALA A 243 -0.458 -8.522 10.481 1.00 0.00 H ATOM 1807 N SER A 244 -0.762 -6.545 14.158 1.00 14.36 N ATOM 1808 CA SER A 244 -1.577 -5.546 14.828 1.00 15.34 C ATOM 1809 C SER A 244 -0.762 -4.360 15.316 1.00 14.44 C ATOM 1810 O SER A 244 -1.343 -3.317 15.632 1.00 16.59 O ATOM 1811 CB SER A 244 -2.321 -6.172 16.008 1.00 16.38 C ATOM 1812 OG SER A 244 -1.414 -6.769 16.914 1.00 18.33 O ATOM 1813 HG SER A 244 -1.917 -7.167 17.668 1.00 0.00 H ATOM 1814 H SER A 244 -0.277 -7.271 14.723 1.00 0.00 H ATOM 1815 N MET A 245 0.562 -4.491 15.389 1.00 12.70 N ATOM 1816 CA MET A 245 1.449 -3.392 15.755 1.00 12.91 C ATOM 1817 C MET A 245 2.242 -2.994 14.519 1.00 11.84 C ATOM 1818 O MET A 245 3.080 -3.763 14.033 1.00 12.84 O ATOM 1819 CB MET A 245 2.392 -3.789 16.887 1.00 14.47 C ATOM 1820 CG MET A 245 3.197 -2.611 17.397 1.00 15.51 C ATOM 1821 SD MET A 245 4.547 -3.039 18.497 1.00 17.91 S ATOM 1822 CE MET A 245 3.734 -4.142 19.641 1.00 20.05 C ATOM 1823 H MET A 245 0.982 -5.418 15.176 1.00 0.00 H ATOM 1824 N ILE A 246 1.985 -1.795 14.018 1.00 11.18 N ATOM 1825 CA ILE A 246 2.658 -1.279 12.836 1.00 10.81 C ATOM 1826 C ILE A 246 3.741 -0.305 13.280 1.00 10.77 C ATOM 1827 O ILE A 246 3.455 0.724 13.907 1.00 11.33 O ATOM 1828 CB ILE A 246 1.660 -0.634 11.864 1.00 11.64 C ATOM 1829 CG1 ILE A 246 0.534 -1.622 11.519 1.00 12.32 C ATOM 1830 CG2 ILE A 246 2.369 -0.140 10.620 1.00 13.04 C ATOM 1831 CD1 ILE A 246 1.020 -2.973 11.011 1.00 13.11 C ATOM 1832 H ILE A 246 1.274 -1.199 14.488 1.00 0.00 H ATOM 1833 N VAL A 247 4.984 -0.642 12.973 1.00 10.57 N ATOM 1834 CA VAL A 247 6.141 0.183 13.302 1.00 9.95 C ATOM 1835 C VAL A 247 6.538 0.948 12.048 1.00 10.38 C ATOM 1836 O VAL A 247 6.433 0.427 10.930 1.00 10.90 O ATOM 1837 CB VAL A 247 7.286 -0.704 13.833 1.00 10.41 C ATOM 1838 CG1 VAL A 247 8.499 0.134 14.235 1.00 10.95 C ATOM 1839 CG2 VAL A 247 6.779 -1.528 15.025 1.00 12.10 C ATOM 1840 H VAL A 247 5.143 -1.540 12.472 1.00 0.00 H ATOM 1841 N MET A 248 6.994 2.186 12.222 1.00 10.01 N ATOM 1842 CA MET A 248 7.278 3.040 11.078 1.00 10.06 C ATOM 1843 C MET A 248 8.421 3.987 11.424 1.00 9.68 C ATOM 1844 O MET A 248 8.847 4.086 12.578 1.00 10.80 O ATOM 1845 CB MET A 248 6.020 3.790 10.632 1.00 12.61 C ATOM 1846 CG MET A 248 5.503 4.783 11.648 1.00 14.73 C ATOM 1847 SD MET A 248 3.718 5.044 11.556 1.00 15.81 S ATOM 1848 CE MET A 248 3.145 3.736 12.628 1.00 15.18 C ATOM 1849 H MET A 248 7.149 2.547 13.185 1.00 0.00 H ATOM 1850 N SER A 249 8.901 4.709 10.406 1.00 9.97 N ATOM 1851 CA SER A 249 10.132 5.483 10.567 1.00 10.03 C ATOM 1852 C SER A 249 9.986 6.675 11.511 1.00 11.00 C ATOM 1853 O SER A 249 10.929 6.994 12.241 1.00 11.38 O ATOM 1854 CB SER A 249 10.670 5.947 9.216 1.00 9.97 C ATOM 1855 OG SER A 249 11.242 4.858 8.514 1.00 9.68 O ATOM 1856 HG SER A 249 11.586 5.174 7.641 1.00 0.00 H ATOM 1857 H SER A 249 8.397 4.720 9.496 1.00 0.00 H ATOM 1858 N HIS A 250 8.853 7.381 11.489 1.00 12.60 N ATOM 1859 CA HIS A 250 8.821 8.703 12.109 1.00 14.28 C ATOM 1860 C HIS A 250 7.729 8.894 13.152 1.00 15.95 C ATOM 1861 O HIS A 250 7.495 10.028 13.582 1.00 19.11 O ATOM 1862 CB HIS A 250 8.744 9.793 11.042 1.00 14.55 C ATOM 1863 CG HIS A 250 9.843 9.700 10.038 1.00 12.99 C ATOM 1864 ND1 HIS A 250 11.176 9.782 10.383 1.00 12.61 N ATOM 1865 CD2 HIS A 250 9.812 9.494 8.703 1.00 13.15 C ATOM 1866 CE1 HIS A 250 11.917 9.644 9.300 1.00 11.41 C ATOM 1867 NE2 HIS A 250 11.114 9.466 8.269 1.00 11.75 N ATOM 1868 H HIS A 250 8.002 6.993 11.035 1.00 0.00 H ATOM 1869 N SER A 251 7.069 7.829 13.580 1.00 15.40 N ATOM 1870 CA SER A 251 6.071 7.922 14.629 1.00 15.95 C ATOM 1871 C SER A 251 6.172 6.677 15.486 1.00 13.97 C ATOM 1872 O SER A 251 6.766 5.675 15.081 1.00 13.35 O ATOM 1873 CB SER A 251 4.657 8.033 14.059 1.00 17.28 C ATOM 1874 OG SER A 251 4.509 9.240 13.343 1.00 19.51 O ATOM 1875 HG SER A 251 3.589 9.297 12.981 1.00 0.00 H ATOM 1876 H SER A 251 7.271 6.902 13.153 1.00 0.00 H ATOM 1877 N ALA A 252 5.594 6.755 16.685 1.00 14.49 N ATOM 1878 CA ALA A 252 5.565 5.612 17.575 1.00 14.66 C ATOM 1879 C ALA A 252 4.717 4.505 16.954 1.00 13.37 C ATOM 1880 O ALA A 252 3.884 4.765 16.081 1.00 14.52 O ATOM 1881 CB ALA A 252 4.990 6.018 18.932 1.00 16.46 C ATOM 1882 H ALA A 252 5.157 7.650 16.986 1.00 0.00 H ATOM 1883 N PRO A 253 4.929 3.259 17.376 1.00 12.82 N ATOM 1884 CA PRO A 253 4.119 2.153 16.852 1.00 12.13 C ATOM 1885 C PRO A 253 2.634 2.431 17.018 1.00 12.52 C ATOM 1886 O PRO A 253 2.194 3.008 18.017 1.00 13.77 O ATOM 1887 CB PRO A 253 4.570 0.961 17.702 1.00 13.21 C ATOM 1888 CG PRO A 253 5.982 1.290 18.035 1.00 13.77 C ATOM 1889 CD PRO A 253 6.003 2.781 18.258 1.00 14.24 C ATOM 1890 N ASP A 254 1.862 2.025 16.017 1.00 12.39 N ATOM 1891 CA ASP A 254 0.444 2.326 15.954 1.00 12.10 C ATOM 1892 C ASP A 254 -0.323 1.070 15.564 1.00 11.98 C ATOM 1893 O ASP A 254 0.257 0.028 15.255 1.00 13.04 O ATOM 1894 CB ASP A 254 0.199 3.435 14.921 1.00 13.02 C ATOM 1895 CG ASP A 254 -1.098 4.195 15.147 1.00 15.99 C ATOM 1896 OD1 ASP A 254 -1.859 3.881 16.090 1.00 16.11 O ATOM 1897 OD2 ASP A 254 -1.352 5.126 14.357 1.00 17.64 O ATOM 1898 H ASP A 254 2.290 1.470 15.249 1.00 0.00 H ATOM 1899 N SER A 255 -1.647 1.177 15.590 1.00 12.90 N ATOM 1900 CA SER A 255 -2.500 0.104 15.106 1.00 12.63 C ATOM 1901 C SER A 255 -2.521 0.105 13.580 1.00 11.67 C ATOM 1902 O SER A 255 -1.883 0.931 12.922 1.00 11.86 O ATOM 1903 CB SER A 255 -3.920 0.297 15.624 1.00 13.41 C ATOM 1904 OG SER A 255 -4.572 1.314 14.878 1.00 14.31 O ATOM 1905 HG SER A 255 -4.071 2.163 14.972 1.00 0.00 H ATOM 1906 H SER A 255 -2.081 2.045 15.964 1.00 0.00 H ATOM 1907 N ARG A 256 -3.289 -0.824 13.001 1.00 11.98 N ATOM 1908 CA ARG A 256 -3.395 -0.889 11.548 1.00 11.51 C ATOM 1909 C ARG A 256 -4.092 0.321 10.953 1.00 11.84 C ATOM 1910 O ARG A 256 -4.082 0.478 9.728 1.00 11.80 O ATOM 1911 CB ARG A 256 -4.104 -2.176 11.117 1.00 11.81 C ATOM 1912 CG ARG A 256 -3.321 -3.436 11.461 1.00 12.60 C ATOM 1913 CD ARG A 256 -4.043 -4.699 11.046 1.00 13.98 C ATOM 1914 NE ARG A 256 -4.108 -4.865 9.598 1.00 14.27 N ATOM 1915 CZ ARG A 256 -3.127 -5.362 8.851 1.00 14.06 C ATOM 1916 NH1 ARG A 256 -1.974 -5.736 9.405 1.00 14.64 N ATOM 1917 NH2 ARG A 256 -3.299 -5.480 7.542 1.00 14.69 N ATOM 1918 HE ARG A 256 -4.983 -4.574 9.117 1.00 0.00 H ATOM 1919 HH12 ARG A 256 -1.213 -6.124 8.811 1.00 0.00 H ATOM 1920 HH11 ARG A 256 -1.835 -5.640 10.431 1.00 0.00 H ATOM 1921 HH22 ARG A 256 -2.537 -5.868 6.950 1.00 0.00 H ATOM 1922 HH21 ARG A 256 -4.196 -5.185 7.107 1.00 0.00 H ATOM 1923 H ARG A 256 -3.813 -1.503 13.589 1.00 0.00 H ATOM 1924 N ALA A 257 -4.695 1.179 11.780 1.00 11.43 N ATOM 1925 CA ALA A 257 -5.218 2.439 11.270 1.00 11.27 C ATOM 1926 C ALA A 257 -4.120 3.293 10.644 1.00 11.16 C ATOM 1927 O ALA A 257 -4.417 4.136 9.796 1.00 11.52 O ATOM 1928 CB ALA A 257 -5.970 3.206 12.365 1.00 12.87 C ATOM 1929 H ALA A 257 -4.791 0.947 12.789 1.00 0.00 H ATOM 1930 N ALA A 258 -2.854 3.077 11.018 1.00 11.01 N ATOM 1931 CA ALA A 258 -1.765 3.737 10.304 1.00 11.31 C ATOM 1932 C ALA A 258 -1.789 3.377 8.821 1.00 11.76 C ATOM 1933 O ALA A 258 -1.557 4.237 7.963 1.00 11.76 O ATOM 1934 CB ALA A 258 -0.426 3.372 10.939 1.00 11.41 C ATOM 1935 H ALA A 258 -2.646 2.441 11.814 1.00 0.00 H ATOM 1936 N ILE A 259 -2.082 2.111 8.500 1.00 10.65 N ATOM 1937 CA ILE A 259 -2.083 1.678 7.105 1.00 10.80 C ATOM 1938 C ILE A 259 -3.273 2.273 6.363 1.00 10.86 C ATOM 1939 O ILE A 259 -3.128 2.855 5.282 1.00 10.68 O ATOM 1940 CB ILE A 259 -2.076 0.142 7.004 1.00 11.69 C ATOM 1941 CG1 ILE A 259 -0.885 -0.461 7.748 1.00 12.10 C ATOM 1942 CG2 ILE A 259 -2.072 -0.298 5.542 1.00 13.09 C ATOM 1943 CD1 ILE A 259 -1.003 -1.963 7.944 1.00 13.11 C ATOM 1944 H ILE A 259 -2.311 1.429 9.251 1.00 0.00 H ATOM 1945 N THR A 260 -4.478 2.121 6.924 1.00 11.55 N ATOM 1946 CA THR A 260 -5.662 2.652 6.255 1.00 12.26 C ATOM 1947 C THR A 260 -5.569 4.165 6.089 1.00 12.08 C ATOM 1948 O THR A 260 -5.907 4.702 5.026 1.00 12.88 O ATOM 1949 CB THR A 260 -6.940 2.255 7.003 1.00 11.82 C ATOM 1950 OG1 THR A 260 -6.825 2.581 8.395 1.00 13.26 O ATOM 1951 CG2 THR A 260 -7.223 0.760 6.852 1.00 12.36 C ATOM 1952 HG1 THR A 260 -6.682 3.556 8.494 1.00 0.00 H ATOM 1953 H THR A 260 -4.571 1.626 7.834 1.00 0.00 H ATOM 1954 N HIS A 261 -5.090 4.869 7.117 1.00 12.00 N ATOM 1955 CA HIS A 261 -5.006 6.323 7.032 1.00 12.21 C ATOM 1956 C HIS A 261 -3.949 6.759 6.026 1.00 12.50 C ATOM 1957 O HIS A 261 -4.163 7.712 5.272 1.00 12.91 O ATOM 1958 CB HIS A 261 -4.718 6.913 8.414 1.00 13.23 C ATOM 1959 CG HIS A 261 -4.513 8.399 8.415 1.00 14.03 C ATOM 1960 ND1 HIS A 261 -5.522 9.294 8.125 1.00 16.38 N ATOM 1961 CD2 HIS A 261 -3.418 9.146 8.696 1.00 14.54 C ATOM 1962 CE1 HIS A 261 -5.055 10.526 8.220 1.00 15.37 C ATOM 1963 NE2 HIS A 261 -3.782 10.464 8.563 1.00 15.38 N ATOM 1964 H HIS A 261 -4.776 4.380 7.980 1.00 0.00 H ATOM 1965 N THR A 262 -2.794 6.086 6.006 1.00 10.91 N ATOM 1966 CA THR A 262 -1.771 6.419 5.021 1.00 11.22 C ATOM 1967 C THR A 262 -2.298 6.221 3.608 1.00 11.61 C ATOM 1968 O THR A 262 -2.102 7.070 2.731 1.00 11.84 O ATOM 1969 CB THR A 262 -0.522 5.560 5.241 1.00 10.58 C ATOM 1970 OG1 THR A 262 0.094 5.899 6.489 1.00 11.02 O ATOM 1971 CG2 THR A 262 0.472 5.791 4.120 1.00 11.18 C ATOM 1972 HG1 THR A 262 -0.546 5.737 7.226 1.00 0.00 H ATOM 1973 H THR A 262 -2.625 5.324 6.693 1.00 0.00 H ATOM 1974 N ALA A 263 -2.963 5.089 3.368 1.00 11.36 N ATOM 1975 CA ALA A 263 -3.501 4.812 2.041 1.00 11.86 C ATOM 1976 C ALA A 263 -4.572 5.825 1.661 1.00 12.03 C ATOM 1977 O ALA A 263 -4.625 6.280 0.512 1.00 12.52 O ATOM 1978 CB ALA A 263 -4.054 3.384 1.990 1.00 12.06 C ATOM 1979 H ALA A 263 -3.099 4.399 4.134 1.00 0.00 H ATOM 1980 N ARG A 264 -5.436 6.191 2.615 1.00 12.77 N ATOM 1981 CA ARG A 264 -6.491 7.156 2.322 1.00 13.21 C ATOM 1982 C ARG A 264 -5.911 8.523 1.979 1.00 13.72 C ATOM 1983 O ARG A 264 -6.418 9.210 1.085 1.00 15.42 O ATOM 1984 CB ARG A 264 -7.471 7.243 3.493 1.00 12.86 C ATOM 1985 CG ARG A 264 -8.793 7.894 3.138 1.00 13.26 C ATOM 1986 CD ARG A 264 -9.595 7.031 2.185 1.00 13.96 C ATOM 1987 NE ARG A 264 -10.872 7.652 1.856 1.00 14.63 N ATOM 1988 CZ ARG A 264 -11.317 7.861 0.621 1.00 16.11 C ATOM 1989 NH1 ARG A 264 -10.582 7.490 -0.422 1.00 17.78 N ATOM 1990 NH2 ARG A 264 -12.505 8.429 0.432 1.00 16.82 N ATOM 1991 HE ARG A 264 -11.479 7.953 2.645 1.00 0.00 H ATOM 1992 HH12 ARG A 264 -10.930 7.654 -1.388 1.00 0.00 H ATOM 1993 HH11 ARG A 264 -9.658 7.036 -0.272 1.00 0.00 H ATOM 1994 HH22 ARG A 264 -12.855 8.593 -0.533 1.00 0.00 H ATOM 1995 HH21 ARG A 264 -13.084 8.709 1.250 1.00 0.00 H ATOM 1996 H ARG A 264 -5.355 5.786 3.570 1.00 0.00 H ATOM 1997 N MET A 265 -4.842 8.933 2.673 1.00 13.85 N ATOM 1998 CA MET A 265 -4.156 10.167 2.307 1.00 13.94 C ATOM 1999 C MET A 265 -3.544 10.055 0.919 1.00 14.14 C ATOM 2000 O MET A 265 -3.593 11.003 0.128 1.00 15.82 O ATOM 2001 CB MET A 265 -3.067 10.499 3.332 1.00 16.40 C ATOM 2002 CG MET A 265 -3.590 11.103 4.624 1.00 18.30 C ATOM 2003 SD MET A 265 -2.318 11.989 5.557 1.00 21.30 S ATOM 2004 CE MET A 265 -1.179 10.654 5.908 1.00 21.37 C ATOM 2005 H MET A 265 -4.499 8.369 3.477 1.00 0.00 H ATOM 2006 N ALA A 266 -2.944 8.902 0.616 1.00 14.32 N ATOM 2007 CA ALA A 266 -2.309 8.708 -0.682 1.00 13.93 C ATOM 2008 C ALA A 266 -3.333 8.656 -1.809 1.00 14.26 C ATOM 2009 O ALA A 266 -2.993 8.958 -2.958 1.00 16.00 O ATOM 2010 CB ALA A 266 -1.465 7.434 -0.657 1.00 14.26 C ATOM 2011 H ALA A 266 -2.929 8.132 1.315 1.00 0.00 H ATOM 2012 N ASP A 267 -4.576 8.255 -1.513 1.00 15.33 N ATOM 2013 CA ASP A 267 -5.630 8.319 -2.522 1.00 17.38 C ATOM 2014 C ASP A 267 -5.725 9.724 -3.101 1.00 21.12 C ATOM 2015 O ASP A 267 -5.981 9.893 -4.295 1.00 21.69 O ATOM 2016 CB ASP A 267 -6.983 7.923 -1.923 1.00 16.10 C ATOM 2017 CG ASP A 267 -7.133 6.431 -1.704 1.00 15.35 C ATOM 2018 OD1 ASP A 267 -6.430 5.625 -2.354 1.00 15.91 O ATOM 2019 OD2 ASP A 267 -7.990 6.066 -0.871 1.00 15.56 O ATOM 2020 H ASP A 267 -4.792 7.897 -0.561 1.00 0.00 H ATOM 2021 N LYS A 268 -5.498 10.744 -2.266 1.00 23.79 N ATOM 2022 CA LYS A 268 -5.648 12.132 -2.693 1.00 27.66 C ATOM 2023 C LYS A 268 -4.525 12.584 -3.617 1.00 29.51 C ATOM 2024 O LYS A 268 -4.698 13.570 -4.342 1.00 30.32 O ATOM 2025 CB LYS A 268 -5.725 13.055 -1.473 1.00 29.48 C ATOM 2026 CG LYS A 268 -6.582 12.511 -0.339 1.00 30.88 C ATOM 2027 CD LYS A 268 -6.988 13.602 0.636 1.00 32.18 C ATOM 2028 CE LYS A 268 -7.605 13.014 1.900 1.00 32.33 C ATOM 2029 NZ LYS A 268 -8.957 12.421 1.659 1.00 31.86 N ATOM 2030 HZ1 LYS A 268 -9.599 13.158 1.303 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 -8.879 11.658 0.957 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 -9.329 12.036 2.551 1.00 0.00 H ATOM 2033 H LYS A 268 -5.207 10.543 -1.288 1.00 0.00 H ATOM 2034 N LEU A 269 -3.384 11.892 -3.612 1.00 30.88 N ATOM 2035 CA LEU A 269 -2.292 12.256 -4.509 1.00 32.85 C ATOM 2036 C LEU A 269 -2.606 11.932 -5.961 1.00 33.64 C ATOM 2037 O LEU A 269 -1.927 12.445 -6.857 1.00 33.64 O ATOM 2038 CB LEU A 269 -1.011 11.515 -4.127 1.00 33.33 C ATOM 2039 CG LEU A 269 -0.249 11.909 -2.864 1.00 34.30 C ATOM 2040 CD1 LEU A 269 0.826 10.871 -2.577 1.00 34.15 C ATOM 2041 CD2 LEU A 269 0.362 13.293 -3.010 1.00 35.04 C ATOM 2042 H LEU A 269 -3.272 11.087 -2.964 1.00 0.00 H ATOM 2043 N ARG A 270 -3.601 11.090 -6.212 1.00 34.47 N ATOM 2044 CA ARG A 270 -3.909 10.657 -7.566 1.00 35.57 C ATOM 2045 C ARG A 270 -4.901 11.596 -8.237 1.00 36.81 C ATOM 2046 O ARG A 270 -5.525 12.438 -7.588 1.00 36.86 O ATOM 2047 CB ARG A 270 -4.451 9.229 -7.559 1.00 35.75 C ATOM 2048 CG ARG A 270 -3.440 8.192 -7.107 1.00 35.75 C ATOM 2049 CD ARG A 270 -4.130 6.902 -6.702 1.00 36.44 C ATOM 2050 NE ARG A 270 -5.065 6.445 -7.727 1.00 37.77 N ATOM 2051 CZ ARG A 270 -4.709 5.939 -8.904 1.00 38.62 C ATOM 2052 NH1 ARG A 270 -3.428 5.801 -9.217 1.00 39.16 N ATOM 2053 NH2 ARG A 270 -5.638 5.558 -9.768 1.00 38.96 N ATOM 2054 OXT ARG A 270 -5.093 11.533 -9.450 1.00 37.78 O ATOM 2055 HE ARG A 270 -6.082 6.521 -7.522 1.00 0.00 H ATOM 2056 HH12 ARG A 270 -3.158 5.404 -10.140 1.00 0.00 H ATOM 2057 HH11 ARG A 270 -2.693 6.089 -8.540 1.00 0.00 H ATOM 2058 HH22 ARG A 270 -5.361 5.162 -10.689 1.00 0.00 H ATOM 2059 HH21 ARG A 270 -6.645 5.655 -9.525 1.00 0.00 H ATOM 2060 H ARG A 270 -4.174 10.731 -5.422 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 13.184 8.124 2.710 1.00 10.42 ZN HETATM 2063 ZN ZN A 2 11.330 8.970 6.421 1.00 11.52 ZN HETATM 2064 O HOH 3 29.693 4.465 20.518 1.00 39.05 O HETATM 2065 O HOH 4 10.900 11.898 19.412 1.00 30.38 O HETATM 2066 O HOH 5 10.819 -16.708 -5.335 1.00 30.67 O HETATM 2067 O HOH 6 -8.869 10.492 0.451 1.00 36.34 O HETATM 2068 O HOH 7 10.864 8.957 25.586 1.00 52.94 O HETATM 2069 O HOH 8 30.054 0.048 18.648 1.00 18.22 O HETATM 2070 O HOH 9 30.043 -2.054 20.854 1.00 22.15 O HETATM 2071 O HOH 10 17.371 20.756 14.837 1.00 26.56 O HETATM 2072 O HOH 11 12.105 -0.376 26.743 1.00 34.89 O HETATM 2073 O HOH 12 6.240 4.337 28.516 1.00 58.98 O HETATM 2074 O HOH 13 24.867 10.313 7.750 1.00 24.88 O HETATM 2075 O HOH 14 15.148 -18.871 14.337 1.00 43.93 O HETATM 2076 O HOH 15 -1.227 -11.270 15.303 1.00 45.27 O HETATM 2077 O HOH 16 4.574 8.956 10.804 1.00 21.62 O HETATM 2078 O HOH 17 23.103 11.922 17.726 1.00 21.50 O HETATM 2079 O HOH 18 10.744 17.887 13.023 1.00 23.63 O HETATM 2080 O HOH 19 31.633 6.046 13.422 1.00 34.57 O HETATM 2081 O HOH 20 0.917 12.120 13.932 1.00 36.34 O HETATM 2082 O HOH 21 12.470 6.591 -5.679 1.00 18.69 O HETATM 2083 O HOH 22 30.539 -1.718 23.749 1.00 51.99 O HETATM 2084 O HOH 23 -2.379 -9.043 17.765 1.00 34.44 O HETATM 2085 O HOH 24 6.403 9.346 2.275 1.00 16.75 O HETATM 2086 O HOH 25 31.710 0.255 3.743 1.00 16.50 O HETATM 2087 O HOH 26 24.190 -16.116 5.375 1.00 22.37 O HETATM 2088 O HOH 27 0.048 11.620 -8.722 1.00 29.54 O HETATM 2089 O HOH 28 22.608 18.360 10.196 1.00 23.49 O HETATM 2090 O HOH 29 29.951 6.602 5.850 1.00 14.78 O HETATM 2091 O HOH 30 11.088 16.692 15.579 1.00 18.98 O HETATM 2092 O HOH 31 16.458 25.191 9.992 1.00 38.19 O HETATM 2093 O HOH 32 -6.636 4.921 -4.899 1.00 25.67 O HETATM 2094 O HOH 33 9.711 7.065 -7.272 1.00 30.06 O HETATM 2095 O HOH 34 24.603 -13.347 1.804 1.00 16.71 O HETATM 2096 O HOH 35 13.575 -16.544 17.320 1.00 16.90 O HETATM 2097 O HOH 36 25.855 5.314 3.975 1.00 10.38 O HETATM 2098 O HOH 37 14.979 -4.855 -6.967 1.00 24.29 O HETATM 2099 O HOH 38 28.397 -10.454 12.445 1.00 17.25 O HETATM 2100 O HOH 39 -9.826 4.347 -1.751 1.00 21.63 O HETATM 2101 O HOH 40 32.761 -8.806 26.327 1.00 53.81 O HETATM 2102 O HOH 41 17.181 12.107 -3.217 1.00 13.15 O HETATM 2103 O HOH 42 9.943 -14.892 0.353 1.00 28.90 O HETATM 2104 O HOH 43 23.719 5.638 -7.755 1.00 13.73 O HETATM 2105 O HOH 44 26.118 0.497 -6.035 1.00 19.19 O HETATM 2106 O HOH 45 3.098 3.180 20.545 1.00 29.08 O HETATM 2107 O HOH 46 28.742 -10.446 4.020 1.00 39.18 O HETATM 2108 O HOH 47 25.008 -6.388 -4.209 1.00 27.23 O HETATM 2109 O HOH 48 12.556 3.769 20.215 1.00 11.85 O HETATM 2110 O HOH 49 22.830 -13.901 6.068 1.00 13.47 O HETATM 2111 O HOH 50 24.904 -19.468 6.200 1.00 48.12 O HETATM 2112 O HOH 51 -4.555 3.707 16.158 1.00 25.03 O HETATM 2113 O HOH 52 1.958 6.627 16.443 1.00 20.90 O HETATM 2114 O HOH 53 29.470 -1.351 -0.001 1.00 19.23 O HETATM 2115 O HOH 54 15.269 -0.805 26.259 1.00 41.06 O HETATM 2116 O HOH 55 12.748 7.002 30.288 1.00 28.75 O HETATM 2117 O HOH 56 12.468 16.476 -0.863 1.00 23.02 O HETATM 2118 O HOH 57 4.088 16.062 2.041 1.00 27.46 O HETATM 2119 O HOH 58 -7.979 4.873 9.283 1.00 18.07 O HETATM 2120 O HOH 59 25.522 -16.797 20.041 1.00 26.39 O HETATM 2121 O HOH 60 21.664 -11.194 -1.125 1.00 13.62 O HETATM 2122 O HOH 61 6.559 13.968 -5.478 1.00 31.18 O HETATM 2123 O HOH 62 -7.985 8.814 7.076 1.00 20.18 O HETATM 2124 O HOH 63 26.397 8.005 3.716 1.00 13.62 O HETATM 2125 O HOH 64 16.309 4.709 11.323 1.00 8.56 O HETATM 2126 O HOH 65 14.661 -15.366 4.026 1.00 37.08 O HETATM 2127 O HOH 66 1.654 -2.791 -5.220 1.00 22.30 O HETATM 2128 O HOH 67 20.462 11.607 0.294 1.00 11.79 O HETATM 2129 O HOH 68 -1.387 7.037 -4.467 1.00 17.39 O HETATM 2130 O HOH 69 35.522 -4.715 13.912 1.00 25.60 O HETATM 2131 O HOH 70 13.241 -15.481 6.825 1.00 28.01 O HETATM 2132 O HOH 71 16.278 -1.823 0.575 1.00 7.37 O HETATM 2133 O HOH 72 26.151 11.537 14.697 1.00 14.30 O HETATM 2134 O HOH 73 27.965 -6.831 27.568 1.00 29.10 O HETATM 2135 O HOH 74 7.059 2.952 15.010 1.00 10.46 O HETATM 2136 O HOH 75 8.321 4.078 -9.470 1.00 27.91 O HETATM 2137 O HOH 76 11.667 2.518 4.521 1.00 9.17 O HETATM 2138 O HOH 77 26.567 -7.596 20.809 1.00 14.83 O HETATM 2139 O HOH 78 -2.713 -2.814 -3.292 1.00 16.55 O HETATM 2140 O HOH 79 12.567 -12.721 4.375 1.00 21.48 O HETATM 2141 O HOH 80 17.250 5.059 14.076 1.00 9.03 O HETATM 2142 O HOH 81 7.037 -14.888 -4.376 1.00 21.76 O HETATM 2143 O HOH 82 21.988 16.708 14.383 1.00 18.59 O HETATM 2144 O HOH 83 15.871 11.819 1.764 1.00 18.73 O HETATM 2145 O HOH 84 30.782 -6.665 7.111 1.00 26.02 O HETATM 2146 O HOH 85 2.594 12.533 12.539 1.00 39.54 O HETATM 2147 O HOH 86 9.541 1.141 3.530 1.00 9.34 O HETATM 2148 O HOH 87 11.839 -15.061 24.192 1.00 24.54 O HETATM 2149 O HOH 88 -6.086 -8.075 9.851 1.00 31.73 O HETATM 2150 O HOH 89 27.568 -10.856 9.842 1.00 17.11 O HETATM 2151 O HOH 90 18.278 -12.808 -7.803 1.00 20.79 O HETATM 2152 O HOH 91 20.362 10.356 17.832 1.00 12.64 O HETATM 2153 O HOH 92 -0.713 -4.911 18.862 1.00 43.13 O HETATM 2154 O HOH 93 21.169 4.100 -10.518 1.00 32.26 O HETATM 2155 O HOH 94 32.133 -10.825 11.058 1.00 27.59 O HETATM 2156 O HOH 95 9.494 11.513 -7.385 1.00 35.32 O HETATM 2157 O HOH 96 22.316 14.277 15.350 1.00 16.16 O HETATM 2158 O HOH 97 -4.140 -10.442 3.026 1.00 26.59 O HETATM 2159 O HOH 98 4.414 -3.505 22.932 1.00 35.69 O HETATM 2160 O HOH 99 28.824 4.803 -2.206 1.00 17.47 O HETATM 2161 O HOH 100 -7.731 3.368 3.385 1.00 13.64 O HETATM 2162 O HOH 101 8.542 -7.049 -7.117 1.00 23.66 O HETATM 2163 O HOH 102 4.183 12.710 7.855 1.00 35.15 O HETATM 2164 O HOH 103 30.465 0.249 14.302 1.00 13.97 O HETATM 2165 O HOH 104 33.225 6.172 7.107 1.00 21.08 O HETATM 2166 O HOH 105 28.408 -8.952 22.437 1.00 32.56 O HETATM 2167 O HOH 106 18.652 10.923 2.368 1.00 12.59 O HETATM 2168 O HOH 107 25.938 -3.875 -3.408 1.00 28.21 O HETATM 2169 O HOH 108 28.193 8.914 -2.552 1.00 26.46 O HETATM 2170 O HOH 109 -12.440 8.511 4.030 1.00 22.34 O HETATM 2171 O HOH 110 31.315 -8.345 21.975 1.00 33.21 O HETATM 2172 O HOH 111 27.080 -5.320 19.355 1.00 13.89 O HETATM 2173 O HOH 112 21.544 -10.828 -5.187 1.00 26.22 O HETATM 2174 O HOH 113 19.920 7.830 30.122 1.00 40.39 O HETATM 2175 O HOH 114 18.380 10.000 24.256 1.00 17.90 O HETATM 2176 O HOH 115 19.449 11.203 29.034 1.00 29.33 O HETATM 2177 O HOH 116 10.648 10.538 -0.988 1.00 12.37 O HETATM 2178 O HOH 117 -4.554 -3.763 2.955 1.00 30.99 O HETATM 2179 O HOH 118 -4.063 -2.957 14.960 1.00 15.74 O HETATM 2180 O HOH 119 1.484 14.690 1.929 1.00 29.97 O HETATM 2181 O HOH 120 1.614 -6.389 21.216 1.00 41.74 O HETATM 2182 O HOH 121 31.997 -5.924 15.890 1.00 18.58 O HETATM 2183 O HOH 122 30.058 -8.710 13.905 1.00 17.77 O HETATM 2184 O HOH 123 10.537 5.297 21.591 1.00 23.23 O HETATM 2185 O HOH 124 -7.152 0.257 14.340 1.00 19.96 O HETATM 2186 O HOH 125 29.670 6.219 18.323 1.00 20.09 O HETATM 2187 O HOH 126 -5.518 1.180 -3.685 1.00 18.56 O HETATM 2188 O HOH 127 1.830 -0.237 -6.205 1.00 24.83 O HETATM 2189 O HOH 128 12.418 -1.972 -6.046 1.00 22.50 O HETATM 2190 O HOH 129 10.049 -13.867 16.644 1.00 35.65 O HETATM 2191 O HOH 130 2.745 -12.591 6.451 1.00 36.00 O HETATM 2192 O HOH 131 32.298 -4.446 3.171 1.00 42.41 O HETATM 2193 O HOH 132 22.857 7.818 28.348 1.00 30.15 O HETATM 2194 O HOH 133 19.803 -18.581 17.027 1.00 17.30 O HETATM 2195 O HOH 134 0.142 -7.769 -0.696 1.00 20.17 O HETATM 2196 O HOH 135 -0.469 2.161 -13.000 1.00 47.86 O HETATM 2197 O HOH 136 4.281 -7.249 21.325 1.00 31.05 O HETATM 2198 O HOH 137 4.553 9.286 17.555 1.00 22.56 O HETATM 2199 O HOH 138 8.322 -13.491 -10.215 1.00 26.77 O HETATM 2200 O HOH 139 -4.704 13.752 7.863 1.00 25.80 O HETATM 2201 O HOH 140 3.604 9.132 -9.645 1.00 35.67 O HETATM 2202 O HOH 141 14.270 12.967 -0.920 1.00 19.54 O HETATM 2203 O HOH 142 29.249 -6.255 -2.521 1.00 40.71 O HETATM 2204 O HOH 143 -6.132 -3.910 7.779 1.00 27.51 O HETATM 2205 O HOH 144 -6.813 -5.868 9.718 1.00 54.71 O HETATM 2206 O HOH 145 27.699 9.092 8.992 1.00 23.15 O HETATM 2207 O HOH 146 12.703 -9.601 27.043 1.00 29.61 O HETATM 2208 O HOH 147 15.167 -17.658 -4.224 1.00 19.05 O HETATM 2209 O HOH 148 22.283 -5.796 30.567 1.00 37.86 O HETATM 2210 O HOH 149 12.188 10.955 31.599 1.00 44.40 O HETATM 2211 O HOH 150 13.845 -7.494 -7.702 1.00 19.08 O HETATM 2212 O HOH 151 22.327 -3.396 -7.422 1.00 24.52 O HETATM 2213 O HOH 152 6.597 7.322 9.661 1.00 20.34 O HETATM 2214 O HOH 153 17.382 -4.054 27.725 1.00 43.51 O HETATM 2215 O HOH 154 29.053 9.654 12.096 1.00 14.21 O HETATM 2216 O HOH 155 24.643 2.846 -9.829 1.00 44.46 O HETATM 2217 O HOH 156 -2.178 3.677 -5.981 1.00 15.95 O HETATM 2218 O HOH 157 24.517 14.088 8.689 1.00 38.07 O HETATM 2219 O HOH 158 27.785 4.948 5.952 1.00 9.71 O HETATM 2220 O HOH 159 10.442 -9.671 -10.414 1.00 43.83 O HETATM 2221 O HOH 160 10.825 13.870 15.026 1.00 25.71 O HETATM 2222 O HOH 161 7.321 7.086 7.687 1.00 27.27 O HETATM 2223 O HOH 162 16.931 -18.261 8.664 1.00 19.65 O HETATM 2224 O HOH 163 -6.995 0.666 3.126 1.00 21.24 O HETATM 2225 O HOH 164 7.854 16.620 -0.163 1.00 21.41 O HETATM 2226 O HOH 165 15.521 23.042 11.649 1.00 31.66 O HETATM 2227 O HOH 166 5.092 1.099 21.544 1.00 38.85 O HETATM 2228 O HOH 167 29.650 -8.495 -0.977 1.00 44.71 O HETATM 2229 O HOH 168 0.578 -13.052 3.727 1.00 39.83 O HETATM 2230 O HOH 169 8.917 -0.721 26.496 1.00 38.28 O HETATM 2231 O HOH 170 25.248 -11.325 -2.597 1.00 24.92 O HETATM 2232 O HOH 171 24.958 8.974 21.417 1.00 23.79 O HETATM 2233 O HOH 172 28.293 -8.334 16.137 1.00 13.68 O HETATM 2234 O HOH 173 12.762 9.290 27.852 1.00 53.00 O HETATM 2235 O HOH 174 28.832 2.030 -2.205 1.00 12.87 O HETATM 2236 O HOH 175 9.287 -11.328 20.478 1.00 33.89 O HETATM 2237 O HOH 176 0.841 -11.437 8.940 1.00 23.96 O HETATM 2238 O HOH 177 0.962 -12.323 0.249 1.00 35.99 O HETATM 2239 O HOH 178 12.775 -13.907 16.980 1.00 23.53 O HETATM 2240 O HOH 179 23.965 -9.609 -4.110 1.00 18.34 O HETATM 2241 O HOH 180 9.578 -15.203 -3.611 1.00 18.68 O HETATM 2242 O HOH 181 4.274 -9.635 19.538 1.00 24.36 O HETATM 2243 O HOH 182 18.532 -2.576 -9.434 1.00 43.78 O HETATM 2244 O HOH 183 8.414 5.600 19.818 1.00 27.53 O HETATM 2245 O HOH 184 3.911 -10.151 11.973 1.00 31.55 O HETATM 2246 O HOH 185 22.807 -15.320 -1.343 1.00 35.78 O HETATM 2247 O HOH 186 15.338 -3.569 27.176 1.00 37.92 O HETATM 2248 O HOH 187 9.602 7.812 16.996 1.00 34.07 O HETATM 2249 O HOH 188 -6.530 5.743 15.188 1.00 41.85 O HETATM 2250 O HOH 189 0.569 5.532 18.417 1.00 33.66 O HETATM 2251 O HOH 190 24.221 -13.762 8.540 1.00 22.46 O HETATM 2252 O HOH 191 20.122 15.242 5.560 1.00 26.55 O HETATM 2253 O HOH 192 11.854 23.832 5.061 1.00 38.34 O HETATM 2254 O HOH 193 5.328 -13.782 -8.068 1.00 27.92 O HETATM 2255 O HOH 194 28.475 -10.988 20.786 1.00 49.17 O HETATM 2256 O HOH 195 23.688 -16.018 10.464 1.00 29.09 O HETATM 2257 O HOH 196 -7.082 6.972 11.013 1.00 39.66 O HETATM 2258 O HOH 197 8.219 -1.309 -9.278 1.00 47.05 O HETATM 2259 O HOH 198 6.888 11.210 7.707 1.00 26.34 O HETATM 2260 O HOH 199 30.500 -11.370 27.475 1.00 42.64 O HETATM 2261 O HOH 200 5.714 3.264 30.293 1.00 58.79 O HETATM 2262 O HOH 201 5.526 10.317 -8.861 1.00 27.96 O HETATM 2263 O HOH 202 15.979 -17.236 5.913 1.00 24.27 O HETATM 2264 O HOH 203 -1.850 3.004 -11.012 1.00 48.41 O HETATM 2265 O HOH 204 15.520 -17.617 3.486 1.00 35.75 O HETATM 2266 O HOH 205 6.473 12.694 12.004 1.00 35.64 O HETATM 2267 O HOH 206 14.796 14.578 -4.897 1.00 33.27 O HETATM 2268 O HOH 207 -11.484 7.003 -3.597 1.00 42.34 O HETATM 2269 O HOH 208 7.128 -4.692 25.609 1.00 43.39 O HETATM 2270 O HOH 209 22.988 2.893 30.080 1.00 45.00 O HETATM 2271 O HOH 210 7.675 -7.158 25.666 1.00 33.51 O HETATM 2272 O HOH 211 28.385 12.084 13.196 1.00 31.28 O HETATM 2273 O HOH 212 -10.873 10.934 4.118 1.00 34.47 O HETATM 2274 O HOH 213 30.375 -9.676 6.314 1.00 43.60 O HETATM 2275 O HOH 214 23.577 -12.961 -0.765 1.00 34.24 O HETATM 2276 O HOH 215 18.646 13.171 4.155 1.00 27.36 O HETATM 2277 O HOH 216 17.812 12.562 -0.565 1.00 17.29 O HETATM 2278 O HOH 217 26.090 1.867 -8.476 1.00 38.77 O HETATM 2279 O HOH 218 27.409 8.689 -7.704 1.00 29.60 O HETATM 2280 O HOH 219 -3.424 -4.874 -1.699 1.00 23.63 O HETATM 2281 O HOH 220 11.179 9.390 29.026 1.00 48.19 O HETATM 2282 O HOH 221 5.719 14.846 8.123 1.00 38.01 O HETATM 2283 O HOH 222 -9.833 -0.033 0.770 1.00 18.01 O HETATM 2284 O HOH 223 24.837 -3.854 -6.283 1.00 43.36 O HETATM 2285 O HOH 224 11.999 -4.120 -6.334 1.00 38.04 O HETATM 2286 O HOH 225 32.081 1.363 23.406 1.00 44.08 O HETATM 2287 O HOH 226 35.086 -7.108 12.186 1.00 36.79 O HETATM 2288 O HOH 227 -9.819 10.765 -1.935 1.00 40.47 O HETATM 2289 O HOH 228 -9.980 1.624 -1.345 1.00 18.37 O HETATM 2290 O HOH 229 31.950 2.152 18.840 1.00 47.16 O HETATM 2291 O HOH 230 24.985 9.948 5.151 1.00 17.54 O HETATM 2292 O HOH 231 5.923 -11.518 20.469 1.00 27.85 O HETATM 2293 O HOH 232 10.109 17.512 -2.401 1.00 40.33 O HETATM 2294 O HOH 233 29.366 -11.041 -1.392 1.00 36.83 O HETATM 2295 O HOH 234 -5.467 -6.100 3.854 1.00 39.14 O HETATM 2296 O HOH 235 29.520 -3.139 -1.899 1.00 41.36 O HETATM 2297 O HOH 236 -1.777 2.085 -8.201 1.00 22.19 O HETATM 2298 O HOH 237 22.260 -3.177 31.877 1.00 46.07 O HETATM 2299 O HOH 238 25.841 5.555 26.402 1.00 47.38 O HETATM 2300 O HOH 239 -8.539 0.565 -3.529 1.00 28.73 O HETATM 2301 O HOH 240 26.154 10.865 22.702 1.00 37.69 O HETATM 2302 O HOH 241 -7.952 -2.159 0.352 1.00 34.77 O HETATM 2303 O HOH 242 24.568 12.165 25.005 1.00 41.42 O HETATM 2304 O HOH 243 -4.779 3.038 -5.679 1.00 19.75 O HETATM 2305 O HOH 244 31.882 4.021 11.716 1.00 21.04 O HETATM 2306 O HOH 245 -5.397 -2.452 6.318 1.00 43.25 O HETATM 2307 O HOH 246 0.977 -14.094 -2.354 1.00 48.25 O HETATM 2308 O HOH 247 -7.604 10.703 4.878 1.00 28.77 O HETATM 2309 O HOH 248 29.756 -4.536 19.686 1.00 16.70 O HETATM 2310 O HOH 249 9.183 -16.989 -7.647 1.00 31.99 O HETATM 2311 O HOH 250 11.577 10.467 23.510 1.00 44.28 O HETATM 2312 O HOH 251 25.653 9.044 18.822 1.00 29.88 O HETATM 2313 O HOH 252 24.721 13.825 13.895 1.00 16.68 O HETATM 2314 O HOH 253 -0.875 -3.796 -5.317 1.00 25.45 O HETATM 2315 O HOH 254 10.137 1.196 -9.934 1.00 41.39 O HETATM 2316 O HOH 255 11.040 -6.103 -8.089 1.00 44.72 O HETATM 2317 O HOH 256 26.068 -16.283 16.109 1.00 40.09 O HETATM 2318 O HOH 257 23.527 21.069 10.736 1.00 44.45 O HETATM 2319 O HOH 258 26.070 6.256 -9.199 1.00 26.75 O HETATM 2320 O HOH 259 26.982 -14.630 2.177 1.00 27.98 O HETATM 2321 O HOH 260 32.703 4.633 15.457 1.00 41.95 O HETATM 2322 O HOH 261 6.580 -16.864 -6.239 1.00 25.75 O HETATM 2323 O HOH 262 22.500 -19.021 16.474 1.00 33.45 O HETATM 2324 O HOH 263 9.852 12.894 17.761 1.00 34.01 O HETATM 2325 O HOH 264 4.807 11.595 10.015 1.00 32.39 O HETATM 2326 O HOH 265 -9.236 3.621 -4.553 1.00 49.08 O HETATM 2327 O HOH 266 29.137 -12.260 8.284 1.00 43.68 O HETATM 2328 O HOH 267 25.673 11.300 17.443 1.00 26.24 O HETATM 2329 O HOH 268 3.849 -11.661 10.312 1.00 41.97 O HETATM 2330 O HOH 269 33.553 -3.418 4.588 1.00 37.19 O HETATM 2331 O HOH 270 -5.240 -1.181 4.480 1.00 34.97 O HETATM 2332 O HOH 271 4.394 -8.561 23.724 1.00 43.33 O HETATM 2333 O HOH 272 15.870 8.591 -8.190 1.00 47.76 O HETATM 2334 O HOH 273 28.655 8.747 19.729 1.00 45.08 O HETATM 2335 O HOH 274 26.236 -2.459 -5.497 1.00 35.91 O HETATM 2336 O HOH 275 23.918 17.302 12.524 1.00 37.93 O HETATM 2337 O HOH 276 8.909 9.775 17.597 1.00 34.87 O HETATM 2338 O HOH 277 32.211 -10.347 14.661 1.00 36.92 O HETATM 2339 O HOH 278 28.814 -12.879 13.537 1.00 31.89 O HETATM 2340 O HOH 279 26.253 -14.445 14.187 1.00 45.76 O HETATM 2341 O HOH 280 32.367 2.168 13.801 1.00 17.48 O HETATM 2342 O HOH 281 3.850 15.420 -8.129 1.00 38.26 O HETATM 2343 O HOH 282 27.118 -17.466 17.903 1.00 42.90 O HETATM 2344 O HOH 283 5.371 -8.002 25.591 1.00 46.68 O HETATM 2345 O HOH 284 34.155 -4.428 16.252 1.00 32.69 O HETATM 2346 O HOH 285 -7.768 -1.541 16.134 1.00 27.59 O HETATM 2347 O HOH 286 29.812 -9.583 18.043 1.00 21.27 O HETATM 2348 O HOH 287 33.269 -2.205 20.316 1.00 52.16 O HETATM 2349 O HOH 288 20.738 17.468 6.955 1.00 21.83 O HETATM 2350 O HOH 289 16.242 -15.337 -11.310 1.00 25.37 O HETATM 2351 O HOH 290 -4.955 -1.520 -4.057 1.00 21.34 O HETATM 2352 O HOH 291 -0.200 -0.176 -8.101 1.00 28.01 O HETATM 2353 O HOH 292 -5.501 -5.369 18.302 1.00 44.11 O HETATM 2354 O HOH 293 12.619 -15.022 3.205 1.00 31.36 O HETATM 2355 O HOH 294 27.861 -5.640 16.686 1.00 13.40 O HETATM 2356 O HOH 295 -1.886 -7.061 -2.388 1.00 24.80 O HETATM 2357 O HOH 296 -5.226 1.305 -7.845 1.00 43.04 O HETATM 2358 O HOH 297 30.225 -4.092 17.031 1.00 16.37 O HETATM 2359 O HOH 298 31.691 -6.247 20.294 1.00 32.58 O HETATM 2360 O HOH 299 9.787 -14.378 26.218 1.00 30.37 O HETATM 2361 O HOH 300 15.281 -8.446 -9.946 1.00 41.99 O HETATM 2362 O HOH 301 28.514 0.846 -4.704 1.00 17.25 O HETATM 2363 O HOH 302 -7.211 -2.484 -2.482 1.00 41.38 O HETATM 2364 O HOH 303 4.535 15.566 -5.484 1.00 36.46 O HETATM 2365 O HOH 304 30.944 -1.440 16.481 1.00 16.15 O HETATM 2366 O HOH 305 4.564 -11.932 23.645 1.00 37.49 O HETATM 2367 O HOH 306 -5.505 -12.367 4.459 1.00 47.59 O HETATM 2368 O HOH 307 32.023 -7.843 18.051 1.00 25.83 O HETATM 2369 O HOH 308 9.641 -12.235 27.915 1.00 44.53 O HETATM 2370 O HOH 309 30.939 -11.614 17.094 1.00 43.70 O HETATM 2371 O HOH 310 -1.843 -2.406 -7.739 1.00 32.98 O HETATM 2372 O HOH 311 -3.800 -9.108 -2.094 1.00 41.57 O HETATM 2373 O HOH 312 28.274 4.483 -8.930 1.00 47.76 O HETATM 2374 O HOH 313 -4.825 -1.568 -6.942 1.00 38.54 O HETATM 2375 O HOH 314 30.172 2.696 -6.173 1.00 41.10 O HETATM 2376 O HOH 315 34.312 -9.368 17.959 1.00 51.06 O HETATM 2377 C05 M A 3 14.605 11.583 5.037 1.00 0.06 C HETATM 2378 C06 M A 3 14.006 12.972 5.338 1.00 -0.00 C HETATM 2379 C07 M A 3 13.332 13.130 6.486 1.00 -0.05 C HETATM 2380 C08 M A 3 12.766 14.365 6.817 1.00 -0.07 C HETATM 2381 C09 M A 3 12.854 15.407 5.915 1.00 -0.05 C HETATM 2382 C10 M A 3 13.541 15.262 4.710 1.00 0.00 C HETATM 2383 C11 M A 3 13.653 16.289 3.754 1.00 -0.04 C HETATM 2384 C12 M A 3 14.317 16.081 2.587 1.00 -0.03 C HETATM 2385 C13 M A 3 14.896 14.818 2.330 1.00 0.01 C HETATM 2386 N14 M A 3 14.773 13.866 3.257 1.00 -0.30 N HETATM 2387 C15 M A 3 14.104 14.032 4.405 1.00 0.05 C HETATM 2388 H8 M A 3 15.426 14.627 1.404 1.00 0.08 H HETATM 2389 H7 M A 3 14.402 16.879 1.858 1.00 0.07 H HETATM 2390 H6 M A 3 13.205 17.256 3.951 1.00 0.08 H HETATM 2391 H5 M A 3 12.381 16.354 6.148 1.00 0.06 H HETATM 2392 H4 M A 3 12.265 14.503 7.768 1.00 0.06 H HETATM 2393 H3 M A 3 13.225 12.292 7.165 1.00 0.06 H HETATM 2394 P02 M A 3 13.264 10.415 4.551 1.00 0.07 P HETATM 2395 O01 M A 3 13.858 9.034 4.261 1.00 -0.56 O HETATM 2396 O03 M A 3 12.566 10.952 3.287 1.00 -0.56 O HETATM 2397 O04 M A 3 12.351 10.343 5.749 1.00 -0.56 O HETATM 2398 H1 M A 3 15.113 11.202 5.935 1.00 0.06 H HETATM 2399 H2 M A 3 15.330 11.669 4.214 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 1494 1867 CONECT 2377 2378 2394 2398 2399 CONECT 2378 2377 2379 2387 CONECT 2379 2378 2380 2393 CONECT 2380 2379 2381 2392 CONECT 2381 2380 2382 2391 CONECT 2382 2381 2383 2387 CONECT 2383 2382 2384 2390 CONECT 2384 2383 2385 2389 CONECT 2385 2384 2386 2388 CONECT 2386 2385 2387 CONECT 2387 2378 2382 2386 CONECT 2388 2385 CONECT 2389 2384 CONECT 2390 2383 CONECT 2391 2381 CONECT 2392 2380 CONECT 2393 2379 CONECT 2394 2377 2395 2396 2397 CONECT 2395 2394 CONECT 2396 2394 CONECT 2397 2394 CONECT 2398 2377 CONECT 2399 2377 MASTER 0 0 0 0 0 0 0 0 2398 1 34 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6d1k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4exs
RCSB PDB
PDBbind
272aa, >4EXS_1|Chains... *
5a5z
RCSB PDB
PDBbind
251aa, >5A5Z_1|Chains... at 96%
6rmf
RCSB PDB
PDBbind
244aa, >6RMF_1|Chains... at 99%
6q2y
RCSB PDB
PDBbind
244aa, >6Q2Y_1|Chains... at 100%
6q30
RCSB PDB
PDBbind
244aa, >6Q30_1|Chains... at 100%
6ovz
RCSB PDB
PDBbind
235aa, >6OVZ_1|Chains... at 100%
6mdu
RCSB PDB
PDBbind
233aa, >6MDU_1|Chain... at 98%
6ibv
RCSB PDB
PDBbind
244aa, >6IBV_1|Chains... at 100%
6ibs
RCSB PDB
PDBbind
244aa, >6IBS_1|Chains... at 100%
6efj
RCSB PDB
PDBbind
233aa, >6EFJ_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
233aa, >6D1D_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
233aa, >6D1B_1|Chain... at 98%
6d1a
RCSB PDB
PDBbind
233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6dd1
RCSB PDB
PDBbind
M3Q
Entry Information
PDB ID
6d1k
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
M3Q
EC.Number
E.C.3.5.2.6
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=741.3uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
0
H
1
1
NO
3
P
Molecular Weight
224.173
Exact Mass
224.048
No. of atoms
26
No. of bonds
27
Polar Surface Area
87.17
LOGP Value
0.00 (
Computed with XLOGP3
)
1.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
OP(Cc1cccc2c1nccc2)(O)O
InChI String
InChI=1S/C10H12NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6,12-15H,7H2
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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