Browse entries in the PDBbind-CN Database
HEADER 6D1I_COMPLEX COMPND 6D1I_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 T A 6Z 27 ATOM 1 N GLY A 42 45.291 1.337 71.248 1.00 36.03 N ATOM 2 CA GLY A 42 45.391 0.487 70.076 1.00 35.47 C ATOM 3 C GLY A 42 46.534 0.871 69.156 1.00 34.11 C ATOM 4 O GLY A 42 47.294 0.016 68.695 1.00 35.54 O ATOM 5 HN3 GLY A 42 45.138 2.321 70.949 1.00 0.00 H ATOM 6 HN2 GLY A 42 46.172 1.274 71.797 1.00 0.00 H ATOM 7 HN1 GLY A 42 44.492 1.023 71.835 1.00 0.00 H ATOM 8 N ASP A 43 46.655 2.164 68.874 1.00 31.20 N ATOM 9 CA ASP A 43 47.741 2.646 68.036 1.00 28.94 C ATOM 10 C ASP A 43 49.033 2.695 68.841 1.00 26.27 C ATOM 11 O ASP A 43 49.045 3.090 70.010 1.00 26.98 O ATOM 12 CB ASP A 43 47.410 4.029 67.477 1.00 29.35 C ATOM 13 CG ASP A 43 46.414 3.972 66.329 1.00 31.26 C ATOM 14 OD1 ASP A 43 46.175 2.872 65.796 1.00 31.54 O ATOM 15 OD2 ASP A 43 45.857 5.030 65.971 1.00 32.50 O ATOM 16 H ASP A 43 45.964 2.840 69.258 1.00 0.00 H ATOM 17 N GLN A 44 50.119 2.269 68.213 1.00 23.36 N ATOM 18 CA GLN A 44 51.435 2.249 68.828 1.00 21.59 C ATOM 19 C GLN A 44 52.332 3.184 68.033 1.00 17.65 C ATOM 20 O GLN A 44 52.578 2.947 66.848 1.00 16.72 O ATOM 21 CB GLN A 44 52.002 0.829 68.815 1.00 24.27 C ATOM 22 CG GLN A 44 53.349 0.681 69.497 1.00 27.22 C ATOM 23 CD GLN A 44 53.999 -0.666 69.219 1.00 29.27 C ATOM 24 OE1 GLN A 44 53.382 -1.565 68.643 1.00 29.86 O ATOM 25 NE2 GLN A 44 55.256 -0.809 69.623 1.00 30.50 N ATOM 26 HE22 GLN A 44 55.740 -0.025 70.105 1.00 0.00 H ATOM 27 HE21 GLN A 44 55.757 -1.705 69.457 1.00 0.00 H ATOM 28 H GLN A 44 50.025 1.933 67.233 1.00 0.00 H ATOM 29 N ARG A 45 52.795 4.253 68.671 1.00 15.90 N ATOM 30 CA ARG A 45 53.742 5.157 68.040 1.00 15.48 C ATOM 31 C ARG A 45 55.138 4.578 68.195 1.00 15.62 C ATOM 32 O ARG A 45 55.556 4.218 69.298 1.00 17.54 O ATOM 33 CB ARG A 45 53.671 6.540 68.692 1.00 15.22 C ATOM 34 CG ARG A 45 52.295 7.195 68.627 1.00 15.67 C ATOM 35 CD ARG A 45 52.322 8.637 69.109 1.00 15.97 C ATOM 36 NE ARG A 45 52.686 8.750 70.519 1.00 15.65 N ATOM 37 CZ ARG A 45 51.824 8.693 71.530 1.00 15.80 C ATOM 38 NH1 ARG A 45 52.260 8.821 72.771 1.00 15.41 N ATOM 39 NH2 ARG A 45 50.527 8.524 71.308 1.00 17.13 N ATOM 40 HE ARG A 45 53.691 8.885 70.749 1.00 0.00 H ATOM 41 HH12 ARG A 45 51.590 8.777 73.565 1.00 0.00 H ATOM 42 HH11 ARG A 45 53.274 8.966 72.954 1.00 0.00 H ATOM 43 HH22 ARG A 45 49.864 8.481 72.108 1.00 0.00 H ATOM 44 HH21 ARG A 45 50.173 8.434 70.334 1.00 0.00 H ATOM 45 H ARG A 45 52.474 4.447 69.641 1.00 0.00 H ATOM 46 N PHE A 46 55.851 4.465 67.087 1.00 14.39 N ATOM 47 CA PHE A 46 57.186 3.877 67.085 1.00 14.50 C ATOM 48 C PHE A 46 58.000 4.794 66.186 1.00 15.30 C ATOM 49 O PHE A 46 57.852 4.759 64.961 1.00 14.61 O ATOM 50 CB PHE A 46 57.126 2.451 66.554 1.00 14.42 C ATOM 51 CG PHE A 46 58.447 1.734 66.548 1.00 15.01 C ATOM 52 CD1 PHE A 46 58.881 1.033 67.660 1.00 16.50 C ATOM 53 CD2 PHE A 46 59.236 1.729 65.408 1.00 14.90 C ATOM 54 CE1 PHE A 46 60.091 0.353 67.638 1.00 17.12 C ATOM 55 CE2 PHE A 46 60.443 1.056 65.379 1.00 15.19 C ATOM 56 CZ PHE A 46 60.872 0.368 66.495 1.00 16.51 C ATOM 57 H PHE A 46 55.448 4.805 66.191 1.00 0.00 H ATOM 58 N GLY A 47 58.823 5.635 66.805 1.00 17.59 N ATOM 59 CA GLY A 47 59.439 6.722 66.072 1.00 18.44 C ATOM 60 C GLY A 47 58.360 7.565 65.433 1.00 17.58 C ATOM 61 O GLY A 47 57.370 7.947 66.070 1.00 17.94 O ATOM 62 H GLY A 47 59.025 5.512 67.818 1.00 0.00 H ATOM 63 N ASP A 48 58.528 7.816 64.142 1.00 15.30 N ATOM 64 CA ASP A 48 57.612 8.643 63.378 1.00 13.47 C ATOM 65 C ASP A 48 56.522 7.831 62.689 1.00 11.68 C ATOM 66 O ASP A 48 55.792 8.382 61.863 1.00 12.18 O ATOM 67 CB ASP A 48 58.392 9.474 62.355 1.00 14.90 C ATOM 68 CG ASP A 48 57.730 10.790 62.053 1.00 15.59 C ATOM 69 OD1 ASP A 48 57.268 11.449 63.011 1.00 15.90 O ATOM 70 OD2 ASP A 48 57.679 11.162 60.860 1.00 16.42 O ATOM 71 H ASP A 48 59.350 7.403 63.657 1.00 0.00 H ATOM 72 N LEU A 49 56.395 6.546 63.013 1.00 10.97 N ATOM 73 CA LEU A 49 55.429 5.650 62.395 1.00 11.45 C ATOM 74 C LEU A 49 54.392 5.224 63.428 1.00 10.88 C ATOM 75 O LEU A 49 54.569 5.416 64.635 1.00 11.22 O ATOM 76 CB LEU A 49 56.138 4.426 61.793 1.00 13.07 C ATOM 77 CG LEU A 49 56.858 4.683 60.451 1.00 14.88 C ATOM 78 CD1 LEU A 49 58.218 5.347 60.644 1.00 16.56 C ATOM 79 CD2 LEU A 49 56.993 3.401 59.646 1.00 16.00 C ATOM 80 H LEU A 49 57.021 6.161 63.749 1.00 0.00 H ATOM 81 N VAL A 50 53.282 4.675 62.941 1.00 10.74 N ATOM 82 CA VAL A 50 52.209 4.178 63.791 1.00 11.21 C ATOM 83 C VAL A 50 51.857 2.759 63.364 1.00 11.00 C ATOM 84 O VAL A 50 51.752 2.466 62.168 1.00 11.27 O ATOM 85 CB VAL A 50 50.967 5.097 63.759 1.00 12.50 C ATOM 86 CG1 VAL A 50 49.828 4.489 64.563 1.00 13.77 C ATOM 87 CG2 VAL A 50 51.311 6.496 64.279 1.00 13.16 C ATOM 88 H VAL A 50 53.176 4.598 61.909 1.00 0.00 H ATOM 89 N PHE A 51 51.679 1.878 64.344 1.00 11.13 N ATOM 90 CA PHE A 51 51.341 0.484 64.101 1.00 11.71 C ATOM 91 C PHE A 51 50.074 0.142 64.862 1.00 12.64 C ATOM 92 O PHE A 51 49.910 0.554 66.010 1.00 13.79 O ATOM 93 CB PHE A 51 52.481 -0.433 64.541 1.00 11.85 C ATOM 94 CG PHE A 51 53.742 -0.206 63.770 1.00 12.17 C ATOM 95 CD1 PHE A 51 54.625 0.793 64.143 1.00 12.79 C ATOM 96 CD2 PHE A 51 54.022 -0.960 62.641 1.00 12.02 C ATOM 97 CE1 PHE A 51 55.778 1.025 63.419 1.00 13.33 C ATOM 98 CE2 PHE A 51 55.176 -0.732 61.912 1.00 12.01 C ATOM 99 CZ PHE A 51 56.051 0.260 62.302 1.00 12.22 C ATOM 100 H PHE A 51 51.786 2.200 65.327 1.00 0.00 H ATOM 101 N ARG A 52 49.170 -0.595 64.218 1.00 12.78 N ATOM 102 CA ARG A 52 47.883 -0.940 64.815 1.00 13.67 C ATOM 103 C ARG A 52 47.587 -2.403 64.527 1.00 13.09 C ATOM 104 O ARG A 52 47.538 -2.809 63.363 1.00 13.02 O ATOM 105 CB ARG A 52 46.757 -0.056 64.262 1.00 15.58 C ATOM 106 CG ARG A 52 45.375 -0.389 64.824 1.00 18.00 C ATOM 107 CD ARG A 52 44.258 0.356 64.098 1.00 20.55 C ATOM 108 NE ARG A 52 44.215 1.777 64.434 1.00 22.88 N ATOM 109 CZ ARG A 52 43.199 2.587 64.144 1.00 24.69 C ATOM 110 NH1 ARG A 52 42.131 2.119 63.508 1.00 25.37 N ATOM 111 NH2 ARG A 52 43.249 3.868 64.489 1.00 25.74 N ATOM 112 HE ARG A 52 45.032 2.183 64.933 1.00 0.00 H ATOM 113 HH12 ARG A 52 41.339 2.755 63.283 1.00 0.00 H ATOM 114 HH11 ARG A 52 42.086 1.117 63.235 1.00 0.00 H ATOM 115 HH22 ARG A 52 42.454 4.499 64.262 1.00 0.00 H ATOM 116 HH21 ARG A 52 44.083 4.240 64.987 1.00 0.00 H ATOM 117 H ARG A 52 49.388 -0.935 63.260 1.00 0.00 H ATOM 118 N GLN A 53 47.373 -3.194 65.577 1.00 13.80 N ATOM 119 CA GLN A 53 47.000 -4.587 65.378 1.00 13.45 C ATOM 120 C GLN A 53 45.562 -4.674 64.888 1.00 13.31 C ATOM 121 O GLN A 53 44.660 -4.053 65.461 1.00 15.00 O ATOM 122 CB GLN A 53 47.168 -5.391 66.665 1.00 15.17 C ATOM 123 CG GLN A 53 46.985 -6.883 66.440 1.00 16.65 C ATOM 124 CD GLN A 53 47.547 -7.718 67.562 1.00 18.82 C ATOM 125 OE1 GLN A 53 47.682 -7.247 68.689 1.00 20.97 O ATOM 126 NE2 GLN A 53 47.869 -8.970 67.265 1.00 19.22 N ATOM 127 HE22 GLN A 53 47.737 -9.325 66.296 1.00 0.00 H ATOM 128 HE21 GLN A 53 48.253 -9.597 68.001 1.00 0.00 H ATOM 129 H GLN A 53 47.473 -2.816 66.541 1.00 0.00 H ATOM 130 N LEU A 54 45.350 -5.444 63.818 1.00 12.43 N ATOM 131 CA LEU A 54 44.033 -5.627 63.225 1.00 12.72 C ATOM 132 C LEU A 54 43.454 -7.007 63.464 1.00 13.13 C ATOM 133 O LEU A 54 42.231 -7.165 63.422 1.00 14.85 O ATOM 134 CB LEU A 54 44.092 -5.402 61.709 1.00 13.29 C ATOM 135 CG LEU A 54 44.626 -4.046 61.251 1.00 13.56 C ATOM 136 CD1 LEU A 54 44.487 -3.934 59.747 1.00 13.42 C ATOM 137 CD2 LEU A 54 43.900 -2.908 61.943 1.00 15.12 C ATOM 138 H LEU A 54 46.161 -5.934 63.390 1.00 0.00 H ATOM 139 N ALA A 55 44.305 -7.991 63.702 1.00 13.45 N ATOM 140 CA ALA A 55 43.917 -9.378 63.904 1.00 14.32 C ATOM 141 C ALA A 55 45.079 -10.058 64.608 1.00 13.91 C ATOM 142 O ALA A 55 46.166 -9.479 64.709 1.00 13.90 O ATOM 143 CB ALA A 55 43.608 -10.060 62.559 1.00 15.36 C ATOM 144 H ALA A 55 45.317 -7.758 63.748 1.00 0.00 H ATOM 145 N PRO A 56 44.888 -11.280 65.116 1.00 14.68 N ATOM 146 CA PRO A 56 45.991 -11.933 65.849 1.00 15.66 C ATOM 147 C PRO A 56 47.328 -11.955 65.121 1.00 15.00 C ATOM 148 O PRO A 56 48.379 -11.863 65.767 1.00 15.92 O ATOM 149 CB PRO A 56 45.441 -13.338 66.116 1.00 16.81 C ATOM 150 CG PRO A 56 43.965 -13.120 66.245 1.00 17.26 C ATOM 151 CD PRO A 56 43.622 -12.025 65.264 1.00 16.39 C ATOM 152 N ASN A 57 47.317 -12.071 63.791 1.00 13.29 N ATOM 153 CA ASN A 57 48.534 -12.182 62.994 1.00 12.01 C ATOM 154 C ASN A 57 48.693 -11.032 61.998 1.00 10.63 C ATOM 155 O ASN A 57 49.487 -11.153 61.063 1.00 10.37 O ATOM 156 CB ASN A 57 48.567 -13.516 62.232 1.00 12.11 C ATOM 157 CG ASN A 57 48.831 -14.728 63.130 1.00 13.00 C ATOM 158 OD1 ASN A 57 48.463 -14.747 64.300 1.00 13.93 O ATOM 159 ND2 ASN A 57 49.464 -15.755 62.564 1.00 13.63 N ATOM 160 HD22 ASN A 57 49.760 -15.699 61.568 1.00 0.00 H ATOM 161 HD21 ASN A 57 49.662 -16.613 63.118 1.00 0.00 H ATOM 162 H ASN A 57 46.400 -12.083 63.301 1.00 0.00 H ATOM 163 N VAL A 58 47.952 -9.929 62.154 1.00 10.18 N ATOM 164 CA VAL A 58 47.946 -8.846 61.166 1.00 9.76 C ATOM 165 C VAL A 58 48.049 -7.492 61.854 1.00 9.50 C ATOM 166 O VAL A 58 47.283 -7.200 62.781 1.00 10.23 O ATOM 167 CB VAL A 58 46.688 -8.875 60.275 1.00 10.18 C ATOM 168 CG1 VAL A 58 46.765 -7.792 59.209 1.00 10.87 C ATOM 169 CG2 VAL A 58 46.489 -10.243 59.641 1.00 10.99 C ATOM 170 H VAL A 58 47.361 -9.837 63.004 1.00 0.00 H ATOM 171 N TRP A 59 48.960 -6.646 61.359 1.00 9.68 N ATOM 172 CA TRP A 59 49.116 -5.274 61.816 1.00 9.93 C ATOM 173 C TRP A 59 49.126 -4.336 60.618 1.00 9.31 C ATOM 174 O TRP A 59 49.569 -4.699 59.526 1.00 10.03 O ATOM 175 CB TRP A 59 50.436 -5.081 62.577 1.00 10.47 C ATOM 176 CG TRP A 59 50.563 -5.924 63.806 1.00 11.61 C ATOM 177 CD1 TRP A 59 50.375 -5.519 65.099 1.00 12.90 C ATOM 178 CD2 TRP A 59 50.924 -7.310 63.870 1.00 12.54 C ATOM 179 NE1 TRP A 59 50.585 -6.567 65.960 1.00 13.85 N ATOM 180 CE2 TRP A 59 50.927 -7.678 65.234 1.00 14.12 C ATOM 181 CE3 TRP A 59 51.248 -8.278 62.909 1.00 13.18 C ATOM 182 CZ2 TRP A 59 51.234 -8.968 65.658 1.00 15.30 C ATOM 183 CZ3 TRP A 59 51.556 -9.560 63.337 1.00 14.08 C ATOM 184 CH2 TRP A 59 51.547 -9.891 64.697 1.00 15.09 C ATOM 185 HE1 TRP A 59 50.499 -6.525 66.996 1.00 0.00 H ATOM 186 H TRP A 59 49.591 -6.988 60.606 1.00 0.00 H ATOM 187 N GLN A 60 48.644 -3.118 60.841 1.00 9.30 N ATOM 188 CA GLN A 60 48.723 -2.038 59.869 1.00 9.14 C ATOM 189 C GLN A 60 49.903 -1.138 60.213 1.00 9.03 C ATOM 190 O GLN A 60 50.040 -0.712 61.367 1.00 10.10 O ATOM 191 CB GLN A 60 47.432 -1.222 59.903 1.00 9.83 C ATOM 192 CG GLN A 60 47.374 -0.110 58.873 1.00 10.04 C ATOM 193 CD GLN A 60 46.097 0.694 58.982 1.00 10.66 C ATOM 194 OE1 GLN A 60 45.188 0.557 58.163 1.00 12.18 O ATOM 195 NE2 GLN A 60 46.011 1.523 60.012 1.00 11.51 N ATOM 196 HE22 GLN A 60 46.804 1.607 60.680 1.00 0.00 H ATOM 197 HE21 GLN A 60 45.150 2.090 60.153 1.00 0.00 H ATOM 198 H GLN A 60 48.188 -2.927 61.756 1.00 0.00 H ATOM 199 N HIS A 61 50.748 -0.849 59.221 1.00 8.24 N ATOM 200 CA HIS A 61 51.810 0.137 59.370 1.00 8.42 C ATOM 201 C HIS A 61 51.387 1.447 58.727 1.00 8.01 C ATOM 202 O HIS A 61 50.746 1.443 57.675 1.00 8.21 O ATOM 203 CB HIS A 61 53.174 -0.361 58.850 1.00 8.33 C ATOM 204 CG HIS A 61 53.288 -0.602 57.365 1.00 7.38 C ATOM 205 ND1 HIS A 61 53.457 0.414 56.446 1.00 7.76 N ATOM 206 CD2 HIS A 61 53.389 -1.762 56.669 1.00 7.37 C ATOM 207 CE1 HIS A 61 53.628 -0.115 55.245 1.00 7.60 C ATOM 208 NE2 HIS A 61 53.594 -1.433 55.352 1.00 7.57 N ATOM 209 H HIS A 61 50.645 -1.344 58.312 1.00 0.00 H ATOM 210 N THR A 62 51.734 2.565 59.372 1.00 8.89 N ATOM 211 CA THR A 62 51.385 3.891 58.880 1.00 9.24 C ATOM 212 C THR A 62 52.604 4.797 58.929 1.00 9.10 C ATOM 213 O THR A 62 53.274 4.895 59.964 1.00 9.88 O ATOM 214 CB THR A 62 50.252 4.517 59.702 1.00 9.62 C ATOM 215 OG1 THR A 62 49.128 3.635 59.712 1.00 9.87 O ATOM 216 CG2 THR A 62 49.829 5.865 59.117 1.00 9.92 C ATOM 217 HG1 THR A 62 48.819 3.485 58.783 1.00 0.00 H ATOM 218 H THR A 62 52.273 2.485 60.258 1.00 0.00 H ATOM 219 N SER A 63 52.869 5.478 57.818 1.00 8.62 N ATOM 220 CA SER A 63 53.964 6.427 57.704 1.00 8.96 C ATOM 221 C SER A 63 53.447 7.710 57.069 1.00 8.75 C ATOM 222 O SER A 63 52.385 7.725 56.440 1.00 8.84 O ATOM 223 CB SER A 63 55.120 5.832 56.891 1.00 9.05 C ATOM 224 OG SER A 63 54.717 5.503 55.573 1.00 8.76 O ATOM 225 HG SER A 63 53.985 4.837 55.609 1.00 0.00 H ATOM 226 H SER A 63 52.262 5.324 56.988 1.00 0.00 H ATOM 227 N TYR A 64 54.219 8.791 57.225 1.00 9.74 N ATOM 228 CA TYR A 64 53.763 10.132 56.876 1.00 10.46 C ATOM 229 C TYR A 64 54.789 10.848 56.017 1.00 11.05 C ATOM 230 O TYR A 64 55.993 10.757 56.266 1.00 11.80 O ATOM 231 CB TYR A 64 53.518 10.988 58.142 1.00 11.83 C ATOM 232 CG TYR A 64 52.558 10.324 59.086 1.00 11.94 C ATOM 233 CD1 TYR A 64 53.002 9.378 60.002 1.00 12.29 C ATOM 234 CD2 TYR A 64 51.200 10.595 59.022 1.00 12.82 C ATOM 235 CE1 TYR A 64 52.125 8.738 60.837 1.00 12.98 C ATOM 236 CE2 TYR A 64 50.311 9.958 59.858 1.00 13.27 C ATOM 237 CZ TYR A 64 50.781 9.028 60.763 1.00 13.81 C ATOM 238 OH TYR A 64 49.902 8.393 61.602 1.00 15.60 O ATOM 239 HH TYR A 64 50.398 7.763 62.182 1.00 0.00 H ATOM 240 H TYR A 64 55.178 8.671 57.609 1.00 0.00 H ATOM 241 N LEU A 65 54.303 11.588 55.027 1.00 11.57 N ATOM 242 CA LEU A 65 55.169 12.411 54.199 1.00 12.61 C ATOM 243 C LEU A 65 54.515 13.763 54.017 1.00 15.30 C ATOM 244 O LEU A 65 53.343 13.840 53.640 1.00 15.89 O ATOM 245 CB LEU A 65 55.392 11.792 52.818 1.00 12.98 C ATOM 246 CG LEU A 65 56.394 12.571 51.956 1.00 14.68 C ATOM 247 CD1 LEU A 65 57.795 12.423 52.518 1.00 17.05 C ATOM 248 CD2 LEU A 65 56.353 12.137 50.499 1.00 15.76 C ATOM 249 H LEU A 65 53.280 11.578 54.840 1.00 0.00 H ATOM 250 N ASP A 66 55.275 14.824 54.271 1.00 19.61 N ATOM 251 CA ASP A 66 54.792 16.159 53.955 1.00 24.56 C ATOM 252 C ASP A 66 54.591 16.265 52.453 1.00 27.85 C ATOM 253 O ASP A 66 55.530 16.073 51.671 1.00 29.41 O ATOM 254 CB ASP A 66 55.772 17.229 54.430 1.00 27.62 C ATOM 255 CG ASP A 66 55.391 18.616 53.937 1.00 30.63 C ATOM 256 OD1 ASP A 66 54.180 18.933 53.967 1.00 31.57 O ATOM 257 OD2 ASP A 66 56.283 19.388 53.524 1.00 32.67 O ATOM 258 H ASP A 66 56.216 14.699 54.696 1.00 0.00 H ATOM 259 N MET A 67 53.358 16.525 52.053 1.00 30.98 N ATOM 260 CA MET A 67 53.029 16.779 50.664 1.00 34.25 C ATOM 261 C MET A 67 52.840 18.279 50.569 1.00 34.37 C ATOM 262 O MET A 67 51.790 18.788 50.991 1.00 35.36 O ATOM 263 CB MET A 67 51.729 16.058 50.311 1.00 36.88 C ATOM 264 CG MET A 67 51.911 14.631 49.876 1.00 38.88 C ATOM 265 SD MET A 67 52.270 14.554 48.125 1.00 39.74 S ATOM 266 CE MET A 67 53.918 13.870 48.191 1.00 40.62 C ATOM 267 H MET A 67 52.596 16.548 52.761 1.00 0.00 H ATOM 268 N PRO A 68 53.827 19.045 50.076 1.00 33.73 N ATOM 269 CA PRO A 68 53.626 20.495 49.956 1.00 33.58 C ATOM 270 C PRO A 68 52.345 20.806 49.199 1.00 34.04 C ATOM 271 O PRO A 68 52.236 20.532 48.000 1.00 34.77 O ATOM 272 CB PRO A 68 54.874 20.961 49.194 1.00 33.57 C ATOM 273 CG PRO A 68 55.914 19.957 49.543 1.00 33.75 C ATOM 274 CD PRO A 68 55.179 18.641 49.653 1.00 33.75 C ATOM 275 N GLY A 69 51.356 21.338 49.912 1.00 33.46 N ATOM 276 CA GLY A 69 50.036 21.590 49.371 1.00 32.99 C ATOM 277 C GLY A 69 48.971 20.618 49.829 1.00 32.21 C ATOM 278 O GLY A 69 47.790 20.837 49.531 1.00 33.17 O ATOM 279 H GLY A 69 51.539 21.585 50.906 1.00 0.00 H ATOM 280 N PHE A 70 49.342 19.551 50.542 1.00 30.05 N ATOM 281 CA PHE A 70 48.385 18.561 51.018 1.00 29.26 C ATOM 282 C PHE A 70 48.588 18.168 52.473 1.00 26.59 C ATOM 283 O PHE A 70 47.890 17.269 52.955 1.00 27.89 O ATOM 284 CB PHE A 70 48.438 17.286 50.161 1.00 30.97 C ATOM 285 CG PHE A 70 48.236 17.530 48.695 1.00 32.76 C ATOM 286 CD1 PHE A 70 49.308 17.836 47.873 1.00 33.18 C ATOM 287 CD2 PHE A 70 46.973 17.460 48.143 1.00 33.76 C ATOM 288 CE1 PHE A 70 49.119 18.066 46.523 1.00 33.89 C ATOM 289 CE2 PHE A 70 46.777 17.687 46.796 1.00 34.11 C ATOM 290 CZ PHE A 70 47.852 17.990 45.985 1.00 34.29 C ATOM 291 H PHE A 70 50.350 19.422 50.765 1.00 0.00 H ATOM 292 N GLY A 71 49.523 18.790 53.175 1.00 22.25 N ATOM 293 CA GLY A 71 49.793 18.425 54.546 1.00 18.18 C ATOM 294 C GLY A 71 50.643 17.174 54.637 1.00 14.85 C ATOM 295 O GLY A 71 51.223 16.693 53.658 1.00 14.68 O ATOM 296 H GLY A 71 50.072 19.554 52.732 1.00 0.00 H ATOM 297 N ALA A 72 50.711 16.638 55.851 1.00 13.10 N ATOM 298 CA ALA A 72 51.462 15.413 56.115 1.00 13.73 C ATOM 299 C ALA A 72 50.539 14.222 55.894 1.00 13.87 C ATOM 300 O ALA A 72 49.680 13.939 56.731 1.00 16.19 O ATOM 301 CB ALA A 72 51.997 15.425 57.544 1.00 15.13 C ATOM 302 H ALA A 72 50.215 17.105 56.637 1.00 0.00 H ATOM 303 N VAL A 73 50.735 13.514 54.783 1.00 11.62 N ATOM 304 CA VAL A 73 49.800 12.488 54.319 1.00 11.22 C ATOM 305 C VAL A 73 50.175 11.124 54.888 1.00 10.33 C ATOM 306 O VAL A 73 51.305 10.652 54.713 1.00 9.69 O ATOM 307 CB VAL A 73 49.762 12.447 52.782 1.00 13.01 C ATOM 308 CG1 VAL A 73 48.836 11.340 52.285 1.00 14.15 C ATOM 309 CG2 VAL A 73 49.344 13.813 52.232 1.00 14.29 C ATOM 310 H VAL A 73 51.590 13.698 54.220 1.00 0.00 H ATOM 311 N ALA A 74 49.213 10.480 55.545 1.00 10.75 N ATOM 312 CA ALA A 74 49.391 9.120 56.040 1.00 10.56 C ATOM 313 C ALA A 74 49.258 8.124 54.902 1.00 9.79 C ATOM 314 O ALA A 74 48.402 8.277 54.026 1.00 11.61 O ATOM 315 CB ALA A 74 48.303 8.789 57.063 1.00 11.64 C ATOM 316 H ALA A 74 48.306 10.962 55.710 1.00 0.00 H ATOM 317 N SER A 75 50.080 7.076 54.944 1.00 8.74 N ATOM 318 CA SER A 75 49.927 5.928 54.061 1.00 8.90 C ATOM 319 C SER A 75 50.028 4.656 54.883 1.00 8.03 C ATOM 320 O SER A 75 50.927 4.529 55.723 1.00 8.39 O ATOM 321 CB SER A 75 51.014 5.910 53.002 1.00 9.89 C ATOM 322 OG SER A 75 50.812 4.827 52.116 1.00 10.63 O ATOM 323 HG SER A 75 50.838 3.977 52.624 1.00 0.00 H ATOM 324 H SER A 75 50.859 7.078 55.633 1.00 0.00 H ATOM 325 N ASN A 76 49.118 3.716 54.619 1.00 8.10 N ATOM 326 CA ASN A 76 49.031 2.457 55.349 1.00 7.64 C ATOM 327 C ASN A 76 49.451 1.279 54.479 1.00 7.31 C ATOM 328 O ASN A 76 49.104 1.213 53.294 1.00 8.05 O ATOM 329 CB ASN A 76 47.591 2.167 55.791 1.00 8.33 C ATOM 330 CG ASN A 76 46.982 3.281 56.612 1.00 9.66 C ATOM 331 OD1 ASN A 76 47.643 3.887 57.458 1.00 10.18 O ATOM 332 ND2 ASN A 76 45.697 3.543 56.380 1.00 11.32 N ATOM 333 HD22 ASN A 76 45.179 3.005 55.656 1.00 0.00 H ATOM 334 HD21 ASN A 76 45.211 4.285 56.923 1.00 0.00 H ATOM 335 H ASN A 76 48.436 3.891 53.853 1.00 0.00 H ATOM 336 N GLY A 77 50.132 0.322 55.104 1.00 7.25 N ATOM 337 CA GLY A 77 50.323 -1.006 54.557 1.00 7.46 C ATOM 338 C GLY A 77 50.078 -2.047 55.632 1.00 7.05 C ATOM 339 O GLY A 77 49.541 -1.725 56.702 1.00 7.69 O ATOM 340 H GLY A 77 50.548 0.538 56.032 1.00 0.00 H ATOM 341 N LEU A 78 50.474 -3.294 55.369 1.00 6.92 N ATOM 342 CA LEU A 78 50.181 -4.397 56.271 1.00 7.43 C ATOM 343 C LEU A 78 51.431 -5.206 56.589 1.00 7.21 C ATOM 344 O LEU A 78 52.387 -5.265 55.812 1.00 7.14 O ATOM 345 CB LEU A 78 49.117 -5.335 55.701 1.00 8.89 C ATOM 346 CG LEU A 78 47.721 -4.719 55.607 1.00 10.55 C ATOM 347 CD1 LEU A 78 46.803 -5.606 54.774 1.00 12.92 C ATOM 348 CD2 LEU A 78 47.141 -4.477 56.999 1.00 11.59 C ATOM 349 H LEU A 78 51.006 -3.482 54.496 1.00 0.00 H ATOM 350 N ILE A 79 51.380 -5.846 57.752 1.00 7.41 N ATOM 351 CA ILE A 79 52.380 -6.792 58.226 1.00 7.75 C ATOM 352 C ILE A 79 51.608 -8.029 58.664 1.00 7.78 C ATOM 353 O ILE A 79 50.671 -7.922 59.460 1.00 8.75 O ATOM 354 CB ILE A 79 53.167 -6.213 59.420 1.00 8.12 C ATOM 355 CG1 ILE A 79 53.839 -4.887 59.043 1.00 9.05 C ATOM 356 CG2 ILE A 79 54.178 -7.227 59.936 1.00 9.51 C ATOM 357 CD1 ILE A 79 54.427 -4.137 60.220 1.00 9.68 C ATOM 358 H ILE A 79 50.565 -5.657 58.370 1.00 0.00 H ATOM 359 N VAL A 80 51.995 -9.200 58.154 1.00 8.06 N ATOM 360 CA VAL A 80 51.281 -10.444 58.433 1.00 8.47 C ATOM 361 C VAL A 80 52.273 -11.478 58.937 1.00 8.99 C ATOM 362 O VAL A 80 53.276 -11.750 58.271 1.00 9.36 O ATOM 363 CB VAL A 80 50.575 -10.970 57.168 1.00 9.29 C ATOM 364 CG1 VAL A 80 49.859 -12.294 57.459 1.00 10.74 C ATOM 365 CG2 VAL A 80 49.598 -9.929 56.621 1.00 9.93 C ATOM 366 H VAL A 80 52.832 -9.228 57.538 1.00 0.00 H ATOM 367 N ARG A 81 51.989 -12.078 60.093 1.00 9.45 N ATOM 368 CA ARG A 81 52.772 -13.222 60.541 1.00 10.50 C ATOM 369 C ARG A 81 52.127 -14.487 59.995 1.00 10.20 C ATOM 370 O ARG A 81 50.937 -14.732 60.220 1.00 11.35 O ATOM 371 CB ARG A 81 52.909 -13.313 62.060 1.00 11.43 C ATOM 372 CG ARG A 81 53.804 -14.491 62.446 1.00 12.01 C ATOM 373 CD ARG A 81 53.992 -14.645 63.950 1.00 12.82 C ATOM 374 NE ARG A 81 52.763 -15.003 64.661 1.00 13.49 N ATOM 375 CZ ARG A 81 52.169 -16.194 64.617 1.00 14.10 C ATOM 376 NH1 ARG A 81 52.678 -17.182 63.893 1.00 13.51 N ATOM 377 NH2 ARG A 81 51.051 -16.394 65.305 1.00 15.71 N ATOM 378 HE ARG A 81 52.318 -14.268 65.247 1.00 0.00 H ATOM 379 HH12 ARG A 81 52.203 -18.107 63.868 1.00 0.00 H ATOM 380 HH11 ARG A 81 53.552 -17.032 63.350 1.00 0.00 H ATOM 381 HH22 ARG A 81 50.581 -17.321 65.276 1.00 0.00 H ATOM 382 HH21 ARG A 81 50.645 -15.623 65.873 1.00 0.00 H ATOM 383 H ARG A 81 51.204 -11.727 60.678 1.00 0.00 H ATOM 384 N ASP A 82 52.912 -15.286 59.281 1.00 9.82 N ATOM 385 CA ASP A 82 52.465 -16.574 58.762 1.00 10.65 C ATOM 386 C ASP A 82 53.391 -17.627 59.361 1.00 10.52 C ATOM 387 O ASP A 82 54.470 -17.887 58.825 1.00 11.10 O ATOM 388 CB ASP A 82 52.544 -16.563 57.240 1.00 12.03 C ATOM 389 CG ASP A 82 52.245 -17.915 56.634 1.00 13.25 C ATOM 390 OD1 ASP A 82 51.422 -18.658 57.203 1.00 13.96 O ATOM 391 OD2 ASP A 82 52.847 -18.245 55.598 1.00 14.63 O ATOM 392 H ASP A 82 53.886 -14.980 59.084 1.00 0.00 H ATOM 393 N GLY A 83 52.979 -18.213 60.483 1.00 11.82 N ATOM 394 CA GLY A 83 53.822 -19.194 61.147 1.00 12.33 C ATOM 395 C GLY A 83 55.110 -18.547 61.619 1.00 12.01 C ATOM 396 O GLY A 83 55.102 -17.580 62.392 1.00 12.46 O ATOM 397 H GLY A 83 52.052 -17.968 60.886 1.00 0.00 H ATOM 398 N GLY A 84 56.236 -19.072 61.144 1.00 12.03 N ATOM 399 CA GLY A 84 57.541 -18.586 61.551 1.00 11.97 C ATOM 400 C GLY A 84 58.148 -17.519 60.667 1.00 11.52 C ATOM 401 O GLY A 84 59.361 -17.298 60.698 1.00 12.30 O ATOM 402 H GLY A 84 56.179 -19.854 60.461 1.00 0.00 H ATOM 403 N ARG A 85 57.329 -16.834 59.881 1.00 11.22 N ATOM 404 CA ARG A 85 57.858 -15.781 59.030 1.00 11.44 C ATOM 405 C ARG A 85 56.852 -14.644 58.948 1.00 9.77 C ATOM 406 O ARG A 85 55.682 -14.787 59.315 1.00 10.61 O ATOM 407 CB ARG A 85 58.197 -16.312 57.642 1.00 12.49 C ATOM 408 CG ARG A 85 56.968 -16.625 56.853 1.00 12.40 C ATOM 409 CD ARG A 85 57.115 -17.812 55.890 1.00 14.94 C ATOM 410 NE ARG A 85 55.857 -17.904 55.170 1.00 14.10 N ATOM 411 CZ ARG A 85 55.694 -17.675 53.871 1.00 12.27 C ATOM 412 NH1 ARG A 85 56.727 -17.417 53.070 1.00 12.66 N ATOM 413 NH2 ARG A 85 54.474 -17.707 53.381 1.00 12.32 N ATOM 414 HE ARG A 85 55.013 -18.171 55.716 1.00 0.00 H ATOM 415 HH12 ARG A 85 56.569 -17.242 52.057 1.00 0.00 H ATOM 416 HH11 ARG A 85 57.692 -17.391 53.458 1.00 0.00 H ATOM 417 HH22 ARG A 85 54.316 -17.532 52.368 1.00 0.00 H ATOM 418 HH21 ARG A 85 53.668 -17.908 54.006 1.00 0.00 H ATOM 419 H ARG A 85 56.312 -17.049 59.873 1.00 0.00 H ATOM 420 N VAL A 86 57.332 -13.508 58.451 1.00 8.62 N ATOM 421 CA VAL A 86 56.541 -12.290 58.319 1.00 8.58 C ATOM 422 C VAL A 86 56.476 -11.893 56.847 1.00 8.20 C ATOM 423 O VAL A 86 57.458 -12.024 56.109 1.00 8.57 O ATOM 424 CB VAL A 86 57.139 -11.159 59.185 1.00 8.94 C ATOM 425 CG1 VAL A 86 56.403 -9.851 58.970 1.00 9.97 C ATOM 426 CG2 VAL A 86 57.101 -11.554 60.656 1.00 10.06 C ATOM 427 H VAL A 86 58.324 -13.487 58.140 1.00 0.00 H ATOM 428 N LEU A 87 55.311 -11.410 56.427 1.00 7.83 N ATOM 429 CA LEU A 87 55.060 -10.935 55.073 1.00 8.12 C ATOM 430 C LEU A 87 54.615 -9.483 55.158 1.00 7.42 C ATOM 431 O LEU A 87 53.829 -9.127 56.036 1.00 9.03 O ATOM 432 CB LEU A 87 53.933 -11.754 54.426 1.00 8.58 C ATOM 433 CG LEU A 87 53.979 -13.265 54.667 1.00 10.56 C ATOM 434 CD1 LEU A 87 52.743 -13.955 54.096 1.00 11.37 C ATOM 435 CD2 LEU A 87 55.248 -13.863 54.091 1.00 12.19 C ATOM 436 H LEU A 87 54.528 -11.369 57.110 1.00 0.00 H ATOM 437 N VAL A 88 55.109 -8.640 54.251 1.00 6.97 N ATOM 438 CA VAL A 88 54.804 -7.210 54.265 1.00 7.30 C ATOM 439 C VAL A 88 54.075 -6.824 52.983 1.00 6.73 C ATOM 440 O VAL A 88 54.426 -7.288 51.890 1.00 7.27 O ATOM 441 CB VAL A 88 56.086 -6.363 54.467 1.00 8.58 C ATOM 442 CG1 VAL A 88 55.828 -4.865 54.277 1.00 10.33 C ATOM 443 CG2 VAL A 88 56.685 -6.639 55.836 1.00 10.25 C ATOM 444 H VAL A 88 55.733 -9.013 53.507 1.00 0.00 H ATOM 445 N VAL A 89 53.049 -5.988 53.128 1.00 6.36 N ATOM 446 CA VAL A 89 52.349 -5.370 52.008 1.00 6.63 C ATOM 447 C VAL A 89 52.635 -3.879 52.061 1.00 6.18 C ATOM 448 O VAL A 89 52.252 -3.204 53.027 1.00 6.71 O ATOM 449 CB VAL A 89 50.837 -5.638 52.055 1.00 7.60 C ATOM 450 CG1 VAL A 89 50.163 -5.001 50.842 1.00 9.16 C ATOM 451 CG2 VAL A 89 50.553 -7.137 52.109 1.00 8.10 C ATOM 452 H VAL A 89 52.730 -5.764 54.092 1.00 0.00 H ATOM 453 N ASP A 90 53.314 -3.383 51.021 1.00 6.31 N ATOM 454 CA ASP A 90 53.687 -1.984 50.797 1.00 6.74 C ATOM 455 C ASP A 90 54.847 -1.530 51.664 1.00 6.66 C ATOM 456 O ASP A 90 54.973 -1.926 52.827 1.00 6.92 O ATOM 457 CB ASP A 90 52.494 -1.036 50.896 1.00 7.49 C ATOM 458 CG ASP A 90 51.544 -1.200 49.734 1.00 9.15 C ATOM 459 OD1 ASP A 90 51.986 -1.687 48.669 1.00 10.49 O ATOM 460 OD2 ASP A 90 50.362 -0.840 49.868 1.00 11.34 O ATOM 461 H ASP A 90 53.609 -4.064 50.293 1.00 0.00 H ATOM 462 N THR A 91 55.716 -0.711 51.084 1.00 6.87 N ATOM 463 CA THR A 91 56.715 -0.023 51.883 1.00 7.04 C ATOM 464 C THR A 91 56.075 1.176 52.575 1.00 7.07 C ATOM 465 O THR A 91 54.883 1.460 52.410 1.00 7.38 O ATOM 466 CB THR A 91 57.923 0.411 51.040 1.00 7.22 C ATOM 467 OG1 THR A 91 57.590 1.518 50.190 1.00 7.35 O ATOM 468 CG2 THR A 91 58.435 -0.713 50.172 1.00 8.08 C ATOM 469 HG1 THR A 91 57.300 2.284 50.746 1.00 0.00 H ATOM 470 H THR A 91 55.681 -0.562 50.055 1.00 0.00 H ATOM 471 N ALA A 92 56.880 1.876 53.368 1.00 7.65 N ATOM 472 CA ALA A 92 56.555 3.232 53.781 1.00 7.71 C ATOM 473 C ALA A 92 56.957 4.202 52.666 1.00 7.88 C ATOM 474 O ALA A 92 57.479 3.802 51.620 1.00 8.01 O ATOM 475 CB ALA A 92 57.248 3.554 55.101 1.00 8.58 C ATOM 476 H ALA A 92 57.765 1.443 53.702 1.00 0.00 H ATOM 477 N TRP A 93 56.759 5.504 52.897 1.00 8.07 N ATOM 478 CA TRP A 93 57.114 6.482 51.874 1.00 8.63 C ATOM 479 C TRP A 93 58.609 6.490 51.571 1.00 8.77 C ATOM 480 O TRP A 93 59.000 6.780 50.434 1.00 9.98 O ATOM 481 CB TRP A 93 56.727 7.889 52.318 1.00 9.08 C ATOM 482 CG TRP A 93 55.283 8.211 52.483 1.00 8.57 C ATOM 483 CD1 TRP A 93 54.568 8.131 53.637 1.00 9.33 C ATOM 484 CD2 TRP A 93 54.398 8.762 51.499 1.00 8.63 C ATOM 485 NE1 TRP A 93 53.293 8.591 53.438 1.00 9.74 N ATOM 486 CE2 TRP A 93 53.162 8.991 52.135 1.00 9.47 C ATOM 487 CE3 TRP A 93 54.537 9.107 50.150 1.00 9.61 C ATOM 488 CZ2 TRP A 93 52.062 9.528 51.466 1.00 10.47 C ATOM 489 CZ3 TRP A 93 53.443 9.655 49.484 1.00 10.64 C ATOM 490 CH2 TRP A 93 52.221 9.855 50.143 1.00 11.41 C ATOM 491 HE1 TRP A 93 52.545 8.630 54.160 1.00 0.00 H ATOM 492 H TRP A 93 56.354 5.818 53.802 1.00 0.00 H ATOM 493 N THR A 94 59.462 6.233 52.565 1.00 8.78 N ATOM 494 CA THR A 94 60.897 6.405 52.382 1.00 9.45 C ATOM 495 C THR A 94 61.657 5.170 52.844 1.00 8.56 C ATOM 496 O THR A 94 61.146 4.329 53.591 1.00 8.72 O ATOM 497 CB THR A 94 61.450 7.613 53.153 1.00 10.56 C ATOM 498 OG1 THR A 94 61.433 7.311 54.554 1.00 10.42 O ATOM 499 CG2 THR A 94 60.635 8.873 52.871 1.00 11.66 C ATOM 500 HG1 THR A 94 61.788 8.084 55.061 1.00 0.00 H ATOM 501 H THR A 94 59.097 5.906 53.482 1.00 0.00 H ATOM 502 N ASP A 95 62.916 5.094 52.400 1.00 9.52 N ATOM 503 CA ASP A 95 63.807 4.030 52.853 1.00 9.86 C ATOM 504 C ASP A 95 63.968 4.050 54.368 1.00 9.47 C ATOM 505 O ASP A 95 63.899 3.002 55.021 1.00 9.94 O ATOM 506 CB ASP A 95 65.177 4.184 52.195 1.00 10.69 C ATOM 507 CG ASP A 95 65.173 3.848 50.714 1.00 11.88 C ATOM 508 OD1 ASP A 95 64.370 3.001 50.270 1.00 11.91 O ATOM 509 OD2 ASP A 95 66.027 4.424 49.996 1.00 15.31 O ATOM 510 H ASP A 95 63.265 5.802 51.723 1.00 0.00 H ATOM 511 N ASP A 96 64.220 5.233 54.949 1.00 10.67 N ATOM 512 CA ASP A 96 64.418 5.302 56.396 1.00 11.71 C ATOM 513 C ASP A 96 63.181 4.823 57.151 1.00 10.40 C ATOM 514 O ASP A 96 63.291 4.085 58.139 1.00 10.78 O ATOM 515 CB ASP A 96 64.768 6.731 56.824 1.00 14.39 C ATOM 516 CG ASP A 96 66.182 7.145 56.439 1.00 18.26 C ATOM 517 OD1 ASP A 96 66.988 6.291 56.015 1.00 19.55 O ATOM 518 OD2 ASP A 96 66.489 8.346 56.578 1.00 20.04 O ATOM 519 H ASP A 96 64.274 6.097 54.373 1.00 0.00 H ATOM 520 N GLN A 97 61.993 5.233 56.706 1.00 9.88 N ATOM 521 CA GLN A 97 60.775 4.778 57.370 1.00 9.46 C ATOM 522 C GLN A 97 60.597 3.277 57.215 1.00 8.89 C ATOM 523 O GLN A 97 60.135 2.597 58.139 1.00 9.45 O ATOM 524 CB GLN A 97 59.560 5.496 56.792 1.00 9.53 C ATOM 525 CG GLN A 97 59.510 6.984 57.072 1.00 10.95 C ATOM 526 CD GLN A 97 58.500 7.682 56.192 1.00 10.92 C ATOM 527 OE1 GLN A 97 57.944 7.081 55.279 1.00 11.07 O ATOM 528 NE2 GLN A 97 58.258 8.958 56.459 1.00 12.24 N ATOM 529 HE22 GLN A 97 58.753 9.428 57.244 1.00 0.00 H ATOM 530 HE21 GLN A 97 57.573 9.489 55.884 1.00 0.00 H ATOM 531 H GLN A 97 61.934 5.874 55.889 1.00 0.00 H ATOM 532 N THR A 98 60.958 2.744 56.047 1.00 8.46 N ATOM 533 CA THR A 98 60.786 1.321 55.800 1.00 8.50 C ATOM 534 C THR A 98 61.749 0.508 56.655 1.00 8.50 C ATOM 535 O THR A 98 61.372 -0.540 57.197 1.00 9.07 O ATOM 536 CB THR A 98 60.940 1.042 54.303 1.00 8.42 C ATOM 537 OG1 THR A 98 59.944 1.787 53.587 1.00 8.19 O ATOM 538 CG2 THR A 98 60.753 -0.428 53.990 1.00 9.18 C ATOM 539 HG1 THR A 98 60.067 2.754 53.762 1.00 0.00 H ATOM 540 H THR A 98 61.366 3.351 55.307 1.00 0.00 H ATOM 541 N ALA A 99 62.980 1.002 56.832 1.00 9.25 N ATOM 542 CA ALA A 99 63.891 0.373 57.782 1.00 10.05 C ATOM 543 C ALA A 99 63.299 0.377 59.189 1.00 9.88 C ATOM 544 O ALA A 99 63.496 -0.571 59.957 1.00 10.76 O ATOM 545 CB ALA A 99 65.254 1.074 57.750 1.00 11.37 C ATOM 546 H ALA A 99 63.288 1.836 56.292 1.00 0.00 H ATOM 547 N GLN A 100 62.563 1.434 59.542 1.00 10.70 N ATOM 548 CA GLN A 100 61.912 1.476 60.849 1.00 11.39 C ATOM 549 C GLN A 100 60.798 0.438 60.969 1.00 10.19 C ATOM 550 O GLN A 100 60.592 -0.127 62.050 1.00 10.87 O ATOM 551 CB GLN A 100 61.399 2.885 61.139 1.00 14.25 C ATOM 552 CG GLN A 100 62.475 3.825 61.650 1.00 18.41 C ATOM 553 CD GLN A 100 62.780 3.596 63.115 1.00 21.47 C ATOM 554 OE1 GLN A 100 63.265 2.533 63.508 1.00 21.59 O ATOM 555 NE2 GLN A 100 62.488 4.593 63.936 1.00 23.63 N ATOM 556 HE22 GLN A 100 62.080 5.473 63.561 1.00 0.00 H ATOM 557 HE21 GLN A 100 62.667 4.496 64.956 1.00 0.00 H ATOM 558 H GLN A 100 62.453 2.231 58.883 1.00 0.00 H ATOM 559 N ILE A 101 60.058 0.178 59.886 1.00 9.26 N ATOM 560 CA ILE A 101 59.101 -0.930 59.905 1.00 9.46 C ATOM 561 C ILE A 101 59.817 -2.232 60.233 1.00 8.77 C ATOM 562 O ILE A 101 59.351 -3.034 61.052 1.00 9.17 O ATOM 563 CB ILE A 101 58.352 -1.044 58.565 1.00 9.46 C ATOM 564 CG1 ILE A 101 57.451 0.166 58.330 1.00 10.45 C ATOM 565 CG2 ILE A 101 57.525 -2.335 58.533 1.00 10.33 C ATOM 566 CD1 ILE A 101 56.850 0.208 56.936 1.00 11.16 C ATOM 567 H ILE A 101 60.162 0.762 59.032 1.00 0.00 H ATOM 568 N LEU A 102 60.959 -2.467 59.583 1.00 8.28 N ATOM 569 CA LEU A 102 61.698 -3.700 59.837 1.00 9.28 C ATOM 570 C LEU A 102 62.191 -3.757 61.279 1.00 9.82 C ATOM 571 O LEU A 102 62.212 -4.834 61.892 1.00 10.22 O ATOM 572 CB LEU A 102 62.842 -3.853 58.831 1.00 9.51 C ATOM 573 CG LEU A 102 62.388 -3.865 57.367 1.00 9.80 C ATOM 574 CD1 LEU A 102 63.586 -3.994 56.448 1.00 10.84 C ATOM 575 CD2 LEU A 102 61.406 -5.002 57.111 1.00 10.45 C ATOM 576 H LEU A 102 61.321 -1.774 58.898 1.00 0.00 H ATOM 577 N ASN A 103 62.583 -2.606 61.838 1.00 10.73 N ATOM 578 CA ASN A 103 62.991 -2.542 63.238 1.00 12.12 C ATOM 579 C ASN A 103 61.828 -2.882 64.164 1.00 11.41 C ATOM 580 O ASN A 103 61.996 -3.627 65.137 1.00 12.25 O ATOM 581 CB ASN A 103 63.530 -1.139 63.534 1.00 13.62 C ATOM 582 CG ASN A 103 64.205 -1.028 64.894 1.00 15.54 C ATOM 583 OD1 ASN A 103 64.558 -2.028 65.520 1.00 16.13 O ATOM 584 ND2 ASN A 103 64.394 0.206 65.351 1.00 16.87 N ATOM 585 HD22 ASN A 103 64.080 1.023 64.789 1.00 0.00 H ATOM 586 HD21 ASN A 103 64.856 0.355 66.271 1.00 0.00 H ATOM 587 H ASN A 103 62.597 -1.739 61.263 1.00 0.00 H ATOM 588 N TRP A 104 60.637 -2.355 63.870 1.00 10.40 N ATOM 589 CA TRP A 104 59.463 -2.681 64.673 1.00 10.60 C ATOM 590 C TRP A 104 59.160 -4.170 64.599 1.00 10.27 C ATOM 591 O TRP A 104 58.863 -4.802 65.619 1.00 10.93 O ATOM 592 CB TRP A 104 58.259 -1.855 64.210 1.00 11.18 C ATOM 593 CG TRP A 104 56.990 -2.141 64.977 1.00 11.48 C ATOM 594 CD1 TRP A 104 56.527 -1.469 66.073 1.00 13.04 C ATOM 595 CD2 TRP A 104 56.030 -3.177 64.709 1.00 11.62 C ATOM 596 NE1 TRP A 104 55.339 -2.015 66.495 1.00 13.61 N ATOM 597 CE2 TRP A 104 55.015 -3.067 65.679 1.00 12.97 C ATOM 598 CE3 TRP A 104 55.929 -4.185 63.743 1.00 11.42 C ATOM 599 CZ2 TRP A 104 53.916 -3.929 65.716 1.00 13.65 C ATOM 600 CZ3 TRP A 104 54.836 -5.041 63.781 1.00 12.97 C ATOM 601 CH2 TRP A 104 53.847 -4.907 64.761 1.00 13.82 C ATOM 602 HE1 TRP A 104 54.776 -1.683 67.304 1.00 0.00 H ATOM 603 H TRP A 104 60.545 -1.707 63.062 1.00 0.00 H ATOM 604 N ILE A 105 59.255 -4.754 63.402 1.00 9.68 N ATOM 605 CA ILE A 105 59.030 -6.192 63.253 1.00 9.85 C ATOM 606 C ILE A 105 60.023 -6.982 64.098 1.00 10.44 C ATOM 607 O ILE A 105 59.654 -7.952 64.774 1.00 10.65 O ATOM 608 CB ILE A 105 59.095 -6.599 61.767 1.00 9.56 C ATOM 609 CG1 ILE A 105 57.916 -6.001 60.992 1.00 9.13 C ATOM 610 CG2 ILE A 105 59.129 -8.117 61.628 1.00 10.16 C ATOM 611 CD1 ILE A 105 58.014 -6.140 59.481 1.00 8.73 C ATOM 612 H ILE A 105 59.491 -4.181 62.567 1.00 0.00 H ATOM 613 N LYS A 106 61.300 -6.591 64.060 1.00 10.92 N ATOM 614 CA LYS A 106 62.314 -7.278 64.854 1.00 12.58 C ATOM 615 C LYS A 106 61.967 -7.239 66.337 1.00 12.85 C ATOM 616 O LYS A 106 62.054 -8.258 67.033 1.00 13.18 O ATOM 617 CB LYS A 106 63.681 -6.636 64.605 1.00 14.01 C ATOM 618 CG LYS A 106 64.778 -7.090 65.557 1.00 15.98 C ATOM 619 CD LYS A 106 65.114 -8.554 65.349 1.00 18.16 C ATOM 620 CE LYS A 106 66.193 -9.017 66.315 1.00 19.47 C ATOM 621 NZ LYS A 106 66.462 -10.477 66.198 1.00 20.54 N ATOM 622 HZ1 LYS A 106 65.591 -11.006 66.406 1.00 0.00 H ATOM 623 HZ2 LYS A 106 66.778 -10.694 65.231 1.00 0.00 H ATOM 624 HZ3 LYS A 106 67.204 -10.747 66.875 1.00 0.00 H ATOM 625 H LYS A 106 61.575 -5.788 63.458 1.00 0.00 H ATOM 626 N GLN A 107 61.544 -6.076 66.830 1.00 13.44 N ATOM 627 CA GLN A 107 61.275 -5.924 68.253 1.00 15.03 C ATOM 628 C GLN A 107 59.966 -6.582 68.672 1.00 14.82 C ATOM 629 O GLN A 107 59.892 -7.178 69.752 1.00 17.29 O ATOM 630 CB GLN A 107 61.288 -4.443 68.627 1.00 17.84 C ATOM 631 CG GLN A 107 62.640 -3.779 68.404 1.00 20.33 C ATOM 632 CD GLN A 107 62.698 -2.368 68.957 1.00 22.67 C ATOM 633 OE1 GLN A 107 62.065 -2.055 69.968 1.00 24.39 O ATOM 634 NE2 GLN A 107 63.456 -1.505 68.292 1.00 23.38 N ATOM 635 HE22 GLN A 107 63.973 -1.813 67.444 1.00 0.00 H ATOM 636 HE21 GLN A 107 63.533 -0.521 68.619 1.00 0.00 H ATOM 637 H GLN A 107 61.404 -5.267 66.191 1.00 0.00 H ATOM 638 N GLU A 108 58.923 -6.482 67.850 1.00 14.12 N ATOM 639 CA GLU A 108 57.601 -6.922 68.269 1.00 14.95 C ATOM 640 C GLU A 108 57.252 -8.333 67.820 1.00 14.24 C ATOM 641 O GLU A 108 56.399 -8.969 68.449 1.00 15.99 O ATOM 642 CB GLU A 108 56.533 -5.943 67.773 1.00 17.40 C ATOM 643 CG GLU A 108 56.722 -4.515 68.284 1.00 21.34 C ATOM 644 CD GLU A 108 56.380 -4.362 69.756 1.00 25.63 C ATOM 645 OE1 GLU A 108 55.725 -5.265 70.317 1.00 27.67 O ATOM 646 OE2 GLU A 108 56.757 -3.330 70.348 1.00 27.36 O ATOM 647 H GLU A 108 59.055 -6.085 66.898 1.00 0.00 H ATOM 648 N ILE A 109 57.883 -8.841 66.761 1.00 12.00 N ATOM 649 CA ILE A 109 57.608 -10.176 66.249 1.00 11.70 C ATOM 650 C ILE A 109 58.841 -11.067 66.288 1.00 12.23 C ATOM 651 O ILE A 109 58.761 -12.229 66.703 1.00 12.67 O ATOM 652 CB ILE A 109 56.991 -10.139 64.829 1.00 11.62 C ATOM 653 CG1 ILE A 109 55.733 -9.260 64.814 1.00 12.55 C ATOM 654 CG2 ILE A 109 56.694 -11.556 64.344 1.00 13.19 C ATOM 655 CD1 ILE A 109 55.189 -8.984 63.427 1.00 12.95 C ATOM 656 H ILE A 109 58.600 -8.260 66.281 1.00 0.00 H ATOM 657 N ASN A 110 59.991 -10.543 65.864 1.00 11.75 N ATOM 658 CA ASN A 110 61.263 -11.258 65.954 1.00 12.30 C ATOM 659 C ASN A 110 61.256 -12.550 65.137 1.00 11.79 C ATOM 660 O ASN A 110 61.677 -13.612 65.604 1.00 12.74 O ATOM 661 CB ASN A 110 61.674 -11.510 67.408 1.00 14.13 C ATOM 662 CG ASN A 110 63.111 -11.938 67.526 1.00 15.88 C ATOM 663 OD1 ASN A 110 63.943 -11.548 66.707 1.00 16.34 O ATOM 664 ND2 ASN A 110 63.417 -12.751 68.535 1.00 17.20 N ATOM 665 HD22 ASN A 110 62.678 -13.053 69.202 1.00 0.00 H ATOM 666 HD21 ASN A 110 64.395 -13.084 68.656 1.00 0.00 H ATOM 667 H ASN A 110 59.983 -9.588 65.453 1.00 0.00 H ATOM 668 N LEU A 111 60.769 -12.453 63.905 1.00 11.96 N ATOM 669 CA LEU A 111 60.834 -13.515 62.918 1.00 12.27 C ATOM 670 C LEU A 111 61.273 -12.909 61.595 1.00 12.55 C ATOM 671 O LEU A 111 61.056 -11.717 61.356 1.00 12.25 O ATOM 672 CB LEU A 111 59.462 -14.181 62.742 1.00 12.53 C ATOM 673 CG LEU A 111 58.950 -14.979 63.950 1.00 12.70 C ATOM 674 CD1 LEU A 111 57.489 -15.357 63.761 1.00 13.26 C ATOM 675 CD2 LEU A 111 59.784 -16.230 64.205 1.00 14.10 C ATOM 676 H LEU A 111 60.312 -11.560 63.630 1.00 0.00 H ATOM 677 N PRO A 112 61.892 -13.699 60.721 1.00 12.43 N ATOM 678 CA PRO A 112 62.380 -13.153 59.449 1.00 12.52 C ATOM 679 C PRO A 112 61.239 -12.693 58.555 1.00 11.20 C ATOM 680 O PRO A 112 60.157 -13.281 58.533 1.00 11.20 O ATOM 681 CB PRO A 112 63.113 -14.341 58.811 1.00 14.07 C ATOM 682 CG PRO A 112 62.520 -15.563 59.479 1.00 16.07 C ATOM 683 CD PRO A 112 62.220 -15.128 60.882 1.00 14.20 C ATOM 684 N VAL A 113 61.501 -11.629 57.801 1.00 10.37 N ATOM 685 CA VAL A 113 60.561 -11.144 56.796 1.00 9.81 C ATOM 686 C VAL A 113 60.851 -11.887 55.495 1.00 10.04 C ATOM 687 O VAL A 113 61.881 -11.661 54.849 1.00 11.23 O ATOM 688 CB VAL A 113 60.652 -9.626 56.614 1.00 10.00 C ATOM 689 CG1 VAL A 113 59.684 -9.190 55.534 1.00 10.36 C ATOM 690 CG2 VAL A 113 60.350 -8.908 57.930 1.00 11.19 C ATOM 691 H VAL A 113 62.403 -11.128 57.932 1.00 0.00 H ATOM 692 N ALA A 114 59.944 -12.787 55.113 1.00 9.21 N ATOM 693 CA ALA A 114 60.179 -13.650 53.962 1.00 9.60 C ATOM 694 C ALA A 114 59.997 -12.941 52.630 1.00 9.66 C ATOM 695 O ALA A 114 60.667 -13.295 51.656 1.00 11.43 O ATOM 696 CB ALA A 114 59.251 -14.862 54.015 1.00 10.88 C ATOM 697 H ALA A 114 59.055 -12.875 55.645 1.00 0.00 H ATOM 698 N LEU A 115 59.085 -11.978 52.555 1.00 8.08 N ATOM 699 CA LEU A 115 58.835 -11.292 51.296 1.00 8.55 C ATOM 700 C LEU A 115 58.015 -10.048 51.569 1.00 7.44 C ATOM 701 O LEU A 115 57.373 -9.914 52.617 1.00 7.56 O ATOM 702 CB LEU A 115 58.104 -12.185 50.288 1.00 10.44 C ATOM 703 CG LEU A 115 56.708 -12.668 50.688 1.00 12.26 C ATOM 704 CD1 LEU A 115 55.585 -11.748 50.196 1.00 12.89 C ATOM 705 CD2 LEU A 115 56.489 -14.082 50.168 1.00 14.85 C ATOM 706 H LEU A 115 58.545 -11.712 53.403 1.00 0.00 H ATOM 707 N ALA A 116 58.024 -9.167 50.579 1.00 7.32 N ATOM 708 CA ALA A 116 57.154 -8.009 50.536 1.00 7.58 C ATOM 709 C ALA A 116 56.535 -7.926 49.156 1.00 7.26 C ATOM 710 O ALA A 116 57.192 -8.218 48.149 1.00 8.43 O ATOM 711 CB ALA A 116 57.920 -6.720 50.830 1.00 8.52 C ATOM 712 H ALA A 116 58.689 -9.314 49.793 1.00 0.00 H ATOM 713 N VAL A 117 55.271 -7.517 49.121 1.00 7.23 N ATOM 714 CA VAL A 117 54.577 -7.205 47.881 1.00 7.45 C ATOM 715 C VAL A 117 54.113 -5.757 47.955 1.00 6.73 C ATOM 716 O VAL A 117 53.616 -5.304 48.991 1.00 7.31 O ATOM 717 CB VAL A 117 53.410 -8.184 47.614 1.00 8.88 C ATOM 718 CG1 VAL A 117 52.405 -8.212 48.761 1.00 9.24 C ATOM 719 CG2 VAL A 117 52.740 -7.885 46.294 1.00 9.72 C ATOM 720 H VAL A 117 54.756 -7.416 50.019 1.00 0.00 H ATOM 721 N VAL A 118 54.292 -5.027 46.861 1.00 6.71 N ATOM 722 CA VAL A 118 53.944 -3.614 46.798 1.00 6.98 C ATOM 723 C VAL A 118 52.863 -3.434 45.741 1.00 6.86 C ATOM 724 O VAL A 118 52.847 -4.137 44.721 1.00 7.97 O ATOM 725 CB VAL A 118 55.187 -2.731 46.539 1.00 8.97 C ATOM 726 CG1 VAL A 118 56.190 -2.916 47.663 1.00 10.14 C ATOM 727 CG2 VAL A 118 55.810 -3.066 45.205 1.00 10.71 C ATOM 728 H VAL A 118 54.696 -5.481 46.017 1.00 0.00 H ATOM 729 N THR A 119 51.952 -2.484 45.987 1.00 7.04 N ATOM 730 CA THR A 119 50.666 -2.513 45.301 1.00 7.37 C ATOM 731 C THR A 119 50.506 -1.527 44.146 1.00 7.27 C ATOM 732 O THR A 119 49.499 -1.623 43.442 1.00 8.64 O ATOM 733 CB THR A 119 49.482 -2.452 46.282 1.00 8.27 C ATOM 734 OG1 THR A 119 49.519 -1.235 47.031 1.00 8.19 O ATOM 735 CG2 THR A 119 49.497 -3.657 47.225 1.00 9.66 C ATOM 736 HG1 THR A 119 50.365 -1.189 47.542 1.00 0.00 H ATOM 737 H THR A 119 52.162 -1.726 46.667 1.00 0.00 H ATOM 738 N HIS A 120 51.443 -0.596 43.937 1.00 7.31 N ATOM 739 CA HIS A 120 51.567 0.140 42.674 1.00 8.42 C ATOM 740 C HIS A 120 52.797 1.038 42.759 1.00 7.92 C ATOM 741 O HIS A 120 53.384 1.210 43.829 1.00 7.90 O ATOM 742 CB HIS A 120 50.323 0.935 42.227 1.00 8.86 C ATOM 743 CG HIS A 120 49.948 2.069 43.127 1.00 8.97 C ATOM 744 ND1 HIS A 120 49.183 1.896 44.260 1.00 9.71 N ATOM 745 CD2 HIS A 120 50.197 3.397 43.039 1.00 9.15 C ATOM 746 CE1 HIS A 120 48.983 3.070 44.835 1.00 9.83 C ATOM 747 NE2 HIS A 120 49.594 3.997 44.119 1.00 9.29 N ATOM 748 H HIS A 120 52.113 -0.384 44.704 1.00 0.00 H ATOM 749 N ALA A 121 53.158 1.632 41.618 1.00 8.15 N ATOM 750 CA ALA A 121 54.407 2.387 41.479 1.00 9.04 C ATOM 751 C ALA A 121 54.248 3.875 41.822 1.00 8.44 C ATOM 752 O ALA A 121 54.564 4.756 41.028 1.00 10.20 O ATOM 753 CB ALA A 121 54.966 2.207 40.071 1.00 10.10 C ATOM 754 H ALA A 121 52.527 1.556 40.795 1.00 0.00 H ATOM 755 N HIS A 122 53.776 4.144 43.042 1.00 8.56 N ATOM 756 CA HIS A 122 53.845 5.469 43.640 1.00 8.60 C ATOM 757 C HIS A 122 54.658 5.384 44.926 1.00 7.72 C ATOM 758 O HIS A 122 54.817 4.310 45.516 1.00 7.84 O ATOM 759 CB HIS A 122 52.446 6.037 43.946 1.00 9.48 C ATOM 760 CG HIS A 122 51.716 6.592 42.755 1.00 10.75 C ATOM 761 ND1 HIS A 122 50.341 6.712 42.723 1.00 10.87 N ATOM 762 CD2 HIS A 122 52.159 7.089 41.574 1.00 12.87 C ATOM 763 CE1 HIS A 122 49.969 7.262 41.581 1.00 12.55 C ATOM 764 NE2 HIS A 122 51.052 7.493 40.861 1.00 13.37 N ATOM 765 H HIS A 122 53.340 3.374 43.588 1.00 0.00 H ATOM 766 N GLN A 123 55.137 6.549 45.382 1.00 7.99 N ATOM 767 CA GLN A 123 56.096 6.604 46.484 1.00 8.71 C ATOM 768 C GLN A 123 55.536 6.033 47.780 1.00 7.94 C ATOM 769 O GLN A 123 56.286 5.441 48.566 1.00 8.34 O ATOM 770 CB GLN A 123 56.569 8.036 46.725 1.00 9.40 C ATOM 771 CG GLN A 123 57.742 8.072 47.693 1.00 11.25 C ATOM 772 CD GLN A 123 58.150 9.442 48.118 1.00 13.73 C ATOM 773 OE1 GLN A 123 57.767 10.434 47.508 1.00 14.68 O ATOM 774 NE2 GLN A 123 58.956 9.509 49.169 1.00 14.55 N ATOM 775 HE22 GLN A 123 59.253 8.638 49.653 1.00 0.00 H ATOM 776 HE21 GLN A 123 59.291 10.433 49.509 1.00 0.00 H ATOM 777 H GLN A 123 54.819 7.436 44.941 1.00 0.00 H ATOM 778 N ASP A 124 54.240 6.249 48.053 1.00 7.72 N ATOM 779 CA ASP A 124 53.668 5.743 49.300 1.00 8.34 C ATOM 780 C ASP A 124 53.736 4.222 49.401 1.00 8.01 C ATOM 781 O ASP A 124 53.746 3.680 50.510 1.00 8.87 O ATOM 782 CB ASP A 124 52.238 6.288 49.601 1.00 9.13 C ATOM 783 CG ASP A 124 51.215 6.185 48.411 1.00 11.60 C ATOM 784 OD1 ASP A 124 51.683 5.991 47.285 1.00 11.66 O ATOM 785 OD2 ASP A 124 49.931 6.361 48.576 1.00 14.24 O ATOM 786 H ASP A 124 53.645 6.774 47.381 1.00 0.00 H ATOM 787 N LYS A 125 53.780 3.519 48.267 1.00 7.63 N ATOM 788 CA LYS A 125 53.754 2.062 48.237 1.00 7.84 C ATOM 789 C LYS A 125 55.103 1.430 47.922 1.00 7.42 C ATOM 790 O LYS A 125 55.342 0.279 48.314 1.00 7.84 O ATOM 791 CB LYS A 125 52.746 1.572 47.179 1.00 8.86 C ATOM 792 CG LYS A 125 51.405 2.297 47.143 1.00 10.04 C ATOM 793 CD LYS A 125 50.436 1.831 48.223 1.00 10.08 C ATOM 794 CE LYS A 125 50.676 2.482 49.577 1.00 10.12 C ATOM 795 NZ LYS A 125 49.834 1.840 50.628 1.00 10.73 N ATOM 796 HZ1 LYS A 125 48.830 1.944 50.378 1.00 0.00 H ATOM 797 HZ2 LYS A 125 50.073 0.830 50.693 1.00 0.00 H ATOM 798 HZ3 LYS A 125 50.014 2.300 51.543 1.00 0.00 H ATOM 799 H LYS A 125 53.835 4.034 47.365 1.00 0.00 H ATOM 800 N MET A 126 55.979 2.127 47.189 1.00 7.72 N ATOM 801 CA MET A 126 57.250 1.562 46.749 1.00 8.13 C ATOM 802 C MET A 126 58.461 2.391 47.144 1.00 8.02 C ATOM 803 O MET A 126 59.592 1.986 46.844 1.00 8.37 O ATOM 804 CB MET A 126 57.273 1.347 45.224 1.00 8.80 C ATOM 805 CG MET A 126 56.341 0.268 44.750 1.00 8.67 C ATOM 806 SD MET A 126 56.397 -0.086 42.981 1.00 8.88 S ATOM 807 CE MET A 126 57.990 -0.904 42.796 1.00 9.71 C ATOM 808 H MET A 126 55.746 3.105 46.924 1.00 0.00 H ATOM 809 N GLY A 127 58.265 3.535 47.800 1.00 7.96 N ATOM 810 CA GLY A 127 59.371 4.438 48.071 1.00 8.91 C ATOM 811 C GLY A 127 60.484 3.853 48.913 1.00 8.39 C ATOM 812 O GLY A 127 61.599 4.382 48.892 1.00 9.84 O ATOM 813 H GLY A 127 57.308 3.784 48.122 1.00 0.00 H ATOM 814 N GLY A 128 60.216 2.773 49.643 1.00 8.03 N ATOM 815 CA GLY A 128 61.220 2.174 50.499 1.00 8.49 C ATOM 816 C GLY A 128 61.823 0.880 49.986 1.00 7.96 C ATOM 817 O GLY A 128 62.383 0.110 50.772 1.00 8.71 O ATOM 818 H GLY A 128 59.267 2.350 49.598 1.00 0.00 H ATOM 819 N MET A 129 61.731 0.638 48.675 1.00 8.60 N ATOM 820 CA MET A 129 62.223 -0.612 48.106 1.00 8.85 C ATOM 821 C MET A 129 63.687 -0.872 48.463 1.00 9.11 C ATOM 822 O MET A 129 64.062 -2.008 48.787 1.00 10.26 O ATOM 823 CB MET A 129 62.021 -0.583 46.592 1.00 9.68 C ATOM 824 CG MET A 129 62.276 -1.895 45.905 1.00 9.78 C ATOM 825 SD MET A 129 61.131 -3.200 46.384 1.00 9.82 S ATOM 826 CE MET A 129 59.625 -2.620 45.608 1.00 10.54 C ATOM 827 H MET A 129 61.302 1.351 48.051 1.00 0.00 H ATOM 828 N ASP A 130 64.538 0.161 48.394 1.00 9.55 N ATOM 829 CA ASP A 130 65.960 -0.046 48.675 1.00 10.51 C ATOM 830 C ASP A 130 66.178 -0.578 50.089 1.00 10.82 C ATOM 831 O ASP A 130 67.091 -1.377 50.319 1.00 11.05 O ATOM 832 CB ASP A 130 66.767 1.248 48.469 1.00 11.71 C ATOM 833 CG ASP A 130 67.253 1.455 47.016 1.00 13.36 C ATOM 834 OD1 ASP A 130 67.268 0.498 46.231 1.00 14.05 O ATOM 835 OD2 ASP A 130 67.666 2.590 46.664 1.00 15.09 O ATOM 836 H ASP A 130 64.189 1.108 48.141 1.00 0.00 H ATOM 837 N ALA A 131 65.367 -0.133 51.055 1.00 10.41 N ATOM 838 CA ALA A 131 65.510 -0.635 52.420 1.00 10.40 C ATOM 839 C ALA A 131 65.185 -2.121 52.506 1.00 10.09 C ATOM 840 O ALA A 131 65.842 -2.863 53.244 1.00 10.84 O ATOM 841 CB ALA A 131 64.647 0.166 53.389 1.00 11.05 C ATOM 842 H ALA A 131 64.634 0.571 50.835 1.00 0.00 H ATOM 843 N LEU A 132 64.163 -2.574 51.773 1.00 9.78 N ATOM 844 CA LEU A 132 63.864 -4.002 51.747 1.00 10.36 C ATOM 845 C LEU A 132 65.010 -4.782 51.123 1.00 10.31 C ATOM 846 O LEU A 132 65.394 -5.848 51.621 1.00 11.10 O ATOM 847 CB LEU A 132 62.576 -4.263 50.969 1.00 9.91 C ATOM 848 CG LEU A 132 61.315 -3.608 51.535 1.00 9.58 C ATOM 849 CD1 LEU A 132 60.133 -3.925 50.636 1.00 10.03 C ATOM 850 CD2 LEU A 132 61.029 -4.029 52.976 1.00 11.04 C ATOM 851 H LEU A 132 63.582 -1.910 51.222 1.00 0.00 H ATOM 852 N HIS A 133 65.582 -4.254 50.040 1.00 10.34 N ATOM 853 CA HIS A 133 66.689 -4.940 49.387 1.00 11.51 C ATOM 854 C HIS A 133 67.926 -4.961 50.266 1.00 11.04 C ATOM 855 O HIS A 133 68.618 -5.986 50.341 1.00 12.07 O ATOM 856 CB HIS A 133 66.969 -4.297 48.039 1.00 11.92 C ATOM 857 CG HIS A 133 65.846 -4.489 47.079 1.00 12.92 C ATOM 858 ND1 HIS A 133 65.725 -3.782 45.904 1.00 13.71 N ATOM 859 CD2 HIS A 133 64.773 -5.311 47.139 1.00 13.20 C ATOM 860 CE1 HIS A 133 64.629 -4.172 45.273 1.00 14.11 C ATOM 861 NE2 HIS A 133 64.031 -5.097 46.004 1.00 13.81 N ATOM 862 H HIS A 133 65.237 -3.349 49.660 1.00 0.00 H ATOM 863 N ALA A 134 68.218 -3.848 50.943 1.00 11.64 N ATOM 864 CA ALA A 134 69.359 -3.824 51.850 1.00 12.03 C ATOM 865 C ALA A 134 69.205 -4.856 52.957 1.00 12.59 C ATOM 866 O ALA A 134 70.197 -5.405 53.443 1.00 14.01 O ATOM 867 CB ALA A 134 69.535 -2.428 52.438 1.00 12.52 C ATOM 868 H ALA A 134 67.631 -2.998 50.823 1.00 0.00 H ATOM 869 N ALA A 135 67.968 -5.145 53.354 1.00 12.12 N ATOM 870 CA ALA A 135 67.679 -6.124 54.390 1.00 12.56 C ATOM 871 C ALA A 135 67.635 -7.555 53.870 1.00 12.69 C ATOM 872 O ALA A 135 67.443 -8.482 54.669 1.00 13.69 O ATOM 873 CB ALA A 135 66.345 -5.783 55.063 1.00 13.03 C ATOM 874 H ALA A 135 67.173 -4.649 52.903 1.00 0.00 H ATOM 875 N GLY A 136 67.793 -7.765 52.565 1.00 12.56 N ATOM 876 CA GLY A 136 67.772 -9.104 52.009 1.00 13.23 C ATOM 877 C GLY A 136 66.398 -9.705 51.814 1.00 12.43 C ATOM 878 O GLY A 136 66.277 -10.931 51.743 1.00 13.76 O ATOM 879 H GLY A 136 67.934 -6.952 51.932 1.00 0.00 H ATOM 880 N ILE A 137 65.359 -8.887 51.700 1.00 11.03 N ATOM 881 CA ILE A 137 63.984 -9.367 51.599 1.00 10.38 C ATOM 882 C ILE A 137 63.592 -9.485 50.131 1.00 10.33 C ATOM 883 O ILE A 137 63.791 -8.552 49.347 1.00 11.64 O ATOM 884 CB ILE A 137 63.043 -8.412 52.348 1.00 10.39 C ATOM 885 CG1 ILE A 137 63.362 -8.430 53.843 1.00 11.05 C ATOM 886 CG2 ILE A 137 61.594 -8.777 52.105 1.00 10.32 C ATOM 887 CD1 ILE A 137 62.826 -7.247 54.608 1.00 11.12 C ATOM 888 H ILE A 137 65.532 -7.862 51.682 1.00 0.00 H ATOM 889 N ALA A 138 63.027 -10.631 49.754 1.00 9.70 N ATOM 890 CA ALA A 138 62.532 -10.820 48.395 1.00 9.95 C ATOM 891 C ALA A 138 61.321 -9.931 48.149 1.00 9.04 C ATOM 892 O ALA A 138 60.386 -9.903 48.956 1.00 9.19 O ATOM 893 CB ALA A 138 62.133 -12.279 48.196 1.00 10.89 C ATOM 894 H ALA A 138 62.937 -11.406 50.442 1.00 0.00 H ATOM 895 N THR A 139 61.316 -9.228 47.017 1.00 8.69 N ATOM 896 CA THR A 139 60.277 -8.247 46.734 1.00 8.59 C ATOM 897 C THR A 139 59.536 -8.567 45.443 1.00 8.25 C ATOM 898 O THR A 139 60.121 -9.051 44.470 1.00 8.70 O ATOM 899 CB THR A 139 60.857 -6.833 46.671 1.00 9.24 C ATOM 900 OG1 THR A 139 61.899 -6.788 45.689 1.00 9.86 O ATOM 901 CG2 THR A 139 61.414 -6.434 48.032 1.00 10.00 C ATOM 902 HG1 THR A 139 62.274 -5.873 45.649 1.00 0.00 H ATOM 903 H THR A 139 62.071 -9.383 46.319 1.00 0.00 H ATOM 904 N TYR A 140 58.237 -8.253 45.449 1.00 7.49 N ATOM 905 CA TYR A 140 57.299 -8.582 44.381 1.00 8.26 C ATOM 906 C TYR A 140 56.422 -7.379 44.076 1.00 7.78 C ATOM 907 O TYR A 140 55.998 -6.658 44.987 1.00 8.35 O ATOM 908 CB TYR A 140 56.374 -9.733 44.807 1.00 8.54 C ATOM 909 CG TYR A 140 57.140 -11.008 45.050 1.00 9.09 C ATOM 910 CD1 TYR A 140 57.789 -11.236 46.258 1.00 9.07 C ATOM 911 CD2 TYR A 140 57.240 -11.974 44.062 1.00 9.53 C ATOM 912 CE1 TYR A 140 58.536 -12.393 46.469 1.00 9.66 C ATOM 913 CE2 TYR A 140 57.978 -13.135 44.266 1.00 10.27 C ATOM 914 CZ TYR A 140 58.625 -13.330 45.468 1.00 10.41 C ATOM 915 OH TYR A 140 59.366 -14.471 45.680 1.00 12.25 O ATOM 916 HH TYR A 140 60.092 -14.521 45.009 1.00 0.00 H ATOM 917 H TYR A 140 57.869 -7.737 46.274 1.00 0.00 H ATOM 918 N ALA A 141 56.113 -7.200 42.795 1.00 7.50 N ATOM 919 CA ALA A 141 55.164 -6.183 42.365 1.00 8.24 C ATOM 920 C ALA A 141 54.559 -6.652 41.052 1.00 8.07 C ATOM 921 O ALA A 141 55.141 -7.481 40.348 1.00 8.84 O ATOM 922 CB ALA A 141 55.855 -4.834 42.140 1.00 7.88 C ATOM 923 H ALA A 141 56.563 -7.805 42.079 1.00 0.00 H ATOM 924 N ASN A 142 53.389 -6.117 40.713 1.00 8.40 N ATOM 925 CA ASN A 142 52.861 -6.259 39.360 1.00 8.65 C ATOM 926 C ASN A 142 53.964 -5.963 38.344 1.00 8.77 C ATOM 927 O ASN A 142 54.707 -4.989 38.480 1.00 9.06 O ATOM 928 CB ASN A 142 51.715 -5.246 39.223 1.00 9.45 C ATOM 929 CG ASN A 142 50.949 -5.345 37.906 1.00 10.22 C ATOM 930 OD1 ASN A 142 51.349 -6.036 36.968 1.00 11.60 O ATOM 931 ND2 ASN A 142 49.832 -4.622 37.836 1.00 10.59 N ATOM 932 HD22 ASN A 142 49.530 -4.052 38.652 1.00 0.00 H ATOM 933 HD21 ASN A 142 49.263 -4.628 36.966 1.00 0.00 H ATOM 934 H ASN A 142 52.842 -5.589 41.423 1.00 0.00 H ATOM 935 N ALA A 143 54.086 -6.827 37.328 1.00 9.63 N ATOM 936 CA ALA A 143 55.032 -6.576 36.241 1.00 10.56 C ATOM 937 C ALA A 143 54.945 -5.139 35.746 1.00 9.75 C ATOM 938 O ALA A 143 55.971 -4.495 35.500 1.00 10.43 O ATOM 939 CB ALA A 143 54.766 -7.540 35.086 1.00 12.00 C ATOM 940 H ALA A 143 53.501 -7.687 37.312 1.00 0.00 H ATOM 941 N LEU A 144 53.725 -4.616 35.604 1.00 10.14 N ATOM 942 CA LEU A 144 53.570 -3.250 35.118 1.00 10.16 C ATOM 943 C LEU A 144 54.139 -2.236 36.109 1.00 9.47 C ATOM 944 O LEU A 144 54.713 -1.220 35.697 1.00 10.28 O ATOM 945 CB LEU A 144 52.101 -2.959 34.815 1.00 10.96 C ATOM 946 CG LEU A 144 51.792 -1.550 34.295 1.00 12.09 C ATOM 947 CD1 LEU A 144 52.604 -1.212 33.032 1.00 13.29 C ATOM 948 CD2 LEU A 144 50.306 -1.376 34.037 1.00 13.17 C ATOM 949 H LEU A 144 52.885 -5.183 35.840 1.00 0.00 H ATOM 950 N SER A 145 53.977 -2.477 37.418 1.00 8.55 N ATOM 951 CA SER A 145 54.603 -1.603 38.410 1.00 8.62 C ATOM 952 C SER A 145 56.117 -1.588 38.252 1.00 8.61 C ATOM 953 O SER A 145 56.749 -0.530 38.349 1.00 9.03 O ATOM 954 CB SER A 145 54.249 -2.043 39.834 1.00 8.47 C ATOM 955 OG SER A 145 52.855 -2.121 40.040 1.00 9.08 O ATOM 956 HG SER A 145 52.449 -1.232 39.884 1.00 0.00 H ATOM 957 H SER A 145 53.405 -3.288 37.729 1.00 0.00 H ATOM 958 N ASN A 146 56.721 -2.759 38.016 1.00 8.79 N ATOM 959 CA ASN A 146 58.169 -2.805 37.843 1.00 9.50 C ATOM 960 C ASN A 146 58.594 -2.086 36.574 1.00 9.55 C ATOM 961 O ASN A 146 59.626 -1.406 36.558 1.00 10.53 O ATOM 962 CB ASN A 146 58.663 -4.247 37.860 1.00 9.77 C ATOM 963 CG ASN A 146 58.608 -4.840 39.245 1.00 9.28 C ATOM 964 OD1 ASN A 146 58.688 -4.118 40.237 1.00 9.63 O ATOM 965 ND2 ASN A 146 58.469 -6.153 39.322 1.00 10.31 N ATOM 966 HD22 ASN A 146 58.406 -6.721 38.453 1.00 0.00 H ATOM 967 HD21 ASN A 146 58.423 -6.617 40.251 1.00 0.00 H ATOM 968 H ASN A 146 56.160 -3.633 37.956 1.00 0.00 H ATOM 969 N GLN A 147 57.801 -2.208 35.508 1.00 10.47 N ATOM 970 CA GLN A 147 58.107 -1.487 34.277 1.00 11.44 C ATOM 971 C GLN A 147 58.045 0.022 34.487 1.00 10.93 C ATOM 972 O GLN A 147 58.882 0.767 33.961 1.00 12.30 O ATOM 973 CB GLN A 147 57.128 -1.910 33.185 1.00 13.39 C ATOM 974 CG GLN A 147 57.406 -1.290 31.825 1.00 17.35 C ATOM 975 CD GLN A 147 56.192 -1.330 30.907 1.00 21.87 C ATOM 976 OE1 GLN A 147 55.767 -0.306 30.374 1.00 24.54 O ATOM 977 NE2 GLN A 147 55.630 -2.512 30.726 1.00 22.90 N ATOM 978 HE22 GLN A 147 56.023 -3.352 31.197 1.00 0.00 H ATOM 979 HE21 GLN A 147 54.795 -2.602 30.113 1.00 0.00 H ATOM 980 H GLN A 147 56.961 -2.820 35.555 1.00 0.00 H ATOM 981 N LEU A 148 57.045 0.488 35.235 1.00 9.98 N ATOM 982 CA LEU A 148 56.844 1.911 35.480 1.00 10.09 C ATOM 983 C LEU A 148 57.793 2.484 36.521 1.00 10.16 C ATOM 984 O LEU A 148 57.978 3.705 36.561 1.00 10.42 O ATOM 985 CB LEU A 148 55.412 2.156 35.963 1.00 10.78 C ATOM 986 CG LEU A 148 54.296 1.923 34.949 1.00 11.74 C ATOM 987 CD1 LEU A 148 52.939 1.992 35.645 1.00 12.61 C ATOM 988 CD2 LEU A 148 54.387 2.923 33.799 1.00 14.08 C ATOM 989 H LEU A 148 56.382 -0.191 35.661 1.00 0.00 H ATOM 990 N ALA A 149 58.369 1.647 37.377 1.00 10.37 N ATOM 991 CA ALA A 149 59.106 2.161 38.530 1.00 10.30 C ATOM 992 C ALA A 149 60.164 3.194 38.169 1.00 10.05 C ATOM 993 O ALA A 149 60.156 4.280 38.768 1.00 9.80 O ATOM 994 CB ALA A 149 59.677 0.997 39.349 1.00 11.57 C ATOM 995 H ALA A 149 58.295 0.621 37.226 1.00 0.00 H ATOM 996 N PRO A 150 61.078 2.946 37.223 1.00 10.64 N ATOM 997 CA PRO A 150 62.111 3.963 36.954 1.00 11.77 C ATOM 998 C PRO A 150 61.551 5.329 36.594 1.00 11.04 C ATOM 999 O PRO A 150 62.015 6.339 37.138 1.00 11.76 O ATOM 1000 CB PRO A 150 62.938 3.329 35.827 1.00 13.42 C ATOM 1001 CG PRO A 150 62.730 1.856 36.011 1.00 13.99 C ATOM 1002 CD PRO A 150 61.303 1.719 36.434 1.00 12.46 C ATOM 1003 N GLN A 151 60.564 5.397 35.696 1.00 10.82 N ATOM 1004 CA GLN A 151 60.032 6.702 35.311 1.00 11.62 C ATOM 1005 C GLN A 151 59.292 7.382 36.455 1.00 10.90 C ATOM 1006 O GLN A 151 59.198 8.620 36.475 1.00 12.28 O ATOM 1007 CB GLN A 151 59.146 6.597 34.063 1.00 12.52 C ATOM 1008 CG GLN A 151 57.752 6.013 34.309 1.00 13.22 C ATOM 1009 CD GLN A 151 57.104 5.479 33.037 1.00 13.98 C ATOM 1010 OE1 GLN A 151 57.575 4.505 32.444 1.00 15.37 O ATOM 1011 NE2 GLN A 151 56.011 6.105 32.622 1.00 14.40 N ATOM 1012 HE22 GLN A 151 55.647 6.923 33.152 1.00 0.00 H ATOM 1013 HE21 GLN A 151 55.518 5.778 31.767 1.00 0.00 H ATOM 1014 H GLN A 151 60.178 4.528 35.275 1.00 0.00 H ATOM 1015 N GLU A 152 58.781 6.608 37.409 1.00 9.21 N ATOM 1016 CA GLU A 152 58.134 7.162 38.590 1.00 9.67 C ATOM 1017 C GLU A 152 59.122 7.523 39.689 1.00 10.24 C ATOM 1018 O GLU A 152 58.697 7.983 40.755 1.00 11.21 O ATOM 1019 CB GLU A 152 57.094 6.179 39.130 1.00 10.06 C ATOM 1020 CG GLU A 152 56.031 5.798 38.118 1.00 10.84 C ATOM 1021 CD GLU A 152 55.222 6.986 37.652 1.00 13.26 C ATOM 1022 OE1 GLU A 152 54.992 7.902 38.468 1.00 14.18 O ATOM 1023 OE2 GLU A 152 54.812 6.997 36.474 1.00 15.65 O ATOM 1024 H GLU A 152 58.846 5.575 37.308 1.00 0.00 H ATOM 1025 N GLY A 153 60.421 7.334 39.462 1.00 10.24 N ATOM 1026 CA GLY A 153 61.404 7.569 40.501 1.00 11.36 C ATOM 1027 C GLY A 153 61.479 6.482 41.544 1.00 11.02 C ATOM 1028 O GLY A 153 62.032 6.711 42.623 1.00 11.96 O ATOM 1029 H GLY A 153 60.735 7.013 38.524 1.00 0.00 H ATOM 1030 N MET A 154 60.930 5.306 41.258 1.00 10.35 N ATOM 1031 CA MET A 154 60.939 4.175 42.172 1.00 11.02 C ATOM 1032 C MET A 154 62.014 3.189 41.739 1.00 11.22 C ATOM 1033 O MET A 154 62.449 3.164 40.585 1.00 12.62 O ATOM 1034 CB MET A 154 59.586 3.457 42.163 1.00 11.00 C ATOM 1035 CG MET A 154 58.408 4.315 42.563 1.00 10.98 C ATOM 1036 SD MET A 154 58.456 4.843 44.288 1.00 10.77 S ATOM 1037 CE MET A 154 58.817 6.566 44.124 1.00 11.99 C ATOM 1038 H MET A 154 60.470 5.188 40.333 1.00 0.00 H ATOM 1039 N VAL A 155 62.432 2.367 42.687 1.00 10.60 N ATOM 1040 CA VAL A 155 63.262 1.201 42.415 1.00 10.62 C ATOM 1041 C VAL A 155 62.327 0.009 42.217 1.00 10.09 C ATOM 1042 O VAL A 155 61.405 -0.206 43.014 1.00 10.82 O ATOM 1043 CB VAL A 155 64.245 0.961 43.575 1.00 12.65 C ATOM 1044 CG1 VAL A 155 64.983 -0.359 43.386 1.00 14.41 C ATOM 1045 CG2 VAL A 155 65.224 2.133 43.692 1.00 13.85 C ATOM 1046 H VAL A 155 62.156 2.562 43.671 1.00 0.00 H ATOM 1047 N ALA A 156 62.538 -0.750 41.142 1.00 10.04 N ATOM 1048 CA ALA A 156 61.691 -1.902 40.861 1.00 10.30 C ATOM 1049 C ALA A 156 61.851 -2.985 41.926 1.00 9.44 C ATOM 1050 O ALA A 156 62.919 -3.151 42.528 1.00 10.13 O ATOM 1051 CB ALA A 156 62.051 -2.501 39.498 1.00 11.71 C ATOM 1052 H ALA A 156 63.318 -0.517 40.495 1.00 0.00 H ATOM 1053 N ALA A 157 60.776 -3.737 42.151 1.00 9.26 N ATOM 1054 CA ALA A 157 60.895 -4.969 42.915 1.00 9.57 C ATOM 1055 C ALA A 157 61.711 -5.986 42.129 1.00 9.80 C ATOM 1056 O ALA A 157 61.897 -5.873 40.915 1.00 10.79 O ATOM 1057 CB ALA A 157 59.513 -5.546 43.213 1.00 9.54 C ATOM 1058 H ALA A 157 59.850 -3.443 41.780 1.00 0.00 H ATOM 1059 N GLN A 158 62.199 -6.996 42.846 1.00 9.93 N ATOM 1060 CA GLN A 158 63.041 -8.013 42.231 1.00 10.97 C ATOM 1061 C GLN A 158 62.247 -8.963 41.348 1.00 11.04 C ATOM 1062 O GLN A 158 62.785 -9.490 40.369 1.00 13.61 O ATOM 1063 CB GLN A 158 63.740 -8.806 43.322 1.00 13.35 C ATOM 1064 CG GLN A 158 64.763 -7.999 44.088 1.00 17.15 C ATOM 1065 CD GLN A 158 65.138 -8.654 45.394 1.00 20.27 C ATOM 1066 OE1 GLN A 158 64.381 -9.463 45.931 1.00 21.75 O ATOM 1067 NE2 GLN A 158 66.302 -8.299 45.922 1.00 21.74 N ATOM 1068 HE22 GLN A 158 66.908 -7.611 45.431 1.00 0.00 H ATOM 1069 HE21 GLN A 158 66.609 -8.709 46.827 1.00 0.00 H ATOM 1070 H GLN A 158 61.976 -7.060 43.860 1.00 0.00 H ATOM 1071 N HIS A 159 60.983 -9.198 41.674 1.00 9.53 N ATOM 1072 CA HIS A 159 60.163 -10.194 41.006 1.00 10.04 C ATOM 1073 C HIS A 159 58.880 -9.550 40.511 1.00 10.00 C ATOM 1074 O HIS A 159 58.338 -8.641 41.152 1.00 9.63 O ATOM 1075 CB HIS A 159 59.811 -11.320 41.958 1.00 11.13 C ATOM 1076 CG HIS A 159 61.002 -12.011 42.533 1.00 12.54 C ATOM 1077 ND1 HIS A 159 61.783 -12.875 41.797 1.00 14.43 N ATOM 1078 CD2 HIS A 159 61.549 -11.966 43.769 1.00 12.97 C ATOM 1079 CE1 HIS A 159 62.761 -13.333 42.557 1.00 14.82 C ATOM 1080 NE2 HIS A 159 62.642 -12.798 43.759 1.00 14.31 N ATOM 1081 H HIS A 159 60.559 -8.643 42.444 1.00 0.00 H ATOM 1082 N SER A 160 58.384 -10.056 39.384 1.00 10.12 N ATOM 1083 CA SER A 160 57.193 -9.526 38.738 1.00 10.72 C ATOM 1084 C SER A 160 56.040 -10.511 38.845 1.00 10.00 C ATOM 1085 O SER A 160 56.179 -11.694 38.495 1.00 11.53 O ATOM 1086 CB SER A 160 57.447 -9.205 37.268 1.00 11.34 C ATOM 1087 OG SER A 160 58.338 -8.120 37.137 1.00 11.94 O ATOM 1088 HG SER A 160 59.200 -8.348 37.567 1.00 0.00 H ATOM 1089 H SER A 160 58.869 -10.865 38.946 1.00 0.00 H ATOM 1090 N LEU A 161 54.903 -10.010 39.308 1.00 9.31 N ATOM 1091 CA LEU A 161 53.661 -10.759 39.307 1.00 9.69 C ATOM 1092 C LEU A 161 52.971 -10.567 37.969 1.00 10.25 C ATOM 1093 O LEU A 161 52.959 -9.464 37.415 1.00 10.94 O ATOM 1094 CB LEU A 161 52.736 -10.242 40.411 1.00 9.60 C ATOM 1095 CG LEU A 161 53.313 -10.248 41.824 1.00 10.46 C ATOM 1096 CD1 LEU A 161 52.308 -9.676 42.808 1.00 11.83 C ATOM 1097 CD2 LEU A 161 53.687 -11.666 42.217 1.00 11.66 C ATOM 1098 H LEU A 161 54.902 -9.041 39.687 1.00 0.00 H ATOM 1099 N THR A 162 52.396 -11.643 37.451 1.00 10.72 N ATOM 1100 CA THR A 162 51.520 -11.529 36.302 1.00 11.84 C ATOM 1101 C THR A 162 50.160 -12.094 36.678 1.00 11.35 C ATOM 1102 O THR A 162 50.013 -12.809 37.678 1.00 11.64 O ATOM 1103 CB THR A 162 52.101 -12.207 35.054 1.00 13.29 C ATOM 1104 OG1 THR A 162 52.237 -13.604 35.303 1.00 13.80 O ATOM 1105 CG2 THR A 162 53.466 -11.620 34.708 1.00 14.67 C ATOM 1106 HG1 THR A 162 52.612 -14.046 34.500 1.00 0.00 H ATOM 1107 H THR A 162 52.575 -12.577 37.873 1.00 0.00 H ATOM 1108 N PHE A 163 49.157 -11.755 35.879 1.00 12.81 N ATOM 1109 CA PHE A 163 47.775 -11.968 36.272 1.00 13.46 C ATOM 1110 C PHE A 163 47.000 -12.623 35.149 1.00 15.64 C ATOM 1111 O PHE A 163 47.200 -12.310 33.972 1.00 16.50 O ATOM 1112 CB PHE A 163 47.114 -10.642 36.671 1.00 13.48 C ATOM 1113 CG PHE A 163 47.747 -10.038 37.877 1.00 12.42 C ATOM 1114 CD1 PHE A 163 48.854 -9.217 37.753 1.00 13.03 C ATOM 1115 CD2 PHE A 163 47.292 -10.357 39.146 1.00 12.19 C ATOM 1116 CE1 PHE A 163 49.474 -8.706 38.868 1.00 13.56 C ATOM 1117 CE2 PHE A 163 47.908 -9.845 40.266 1.00 12.21 C ATOM 1118 CZ PHE A 163 49.006 -9.025 40.126 1.00 12.45 C ATOM 1119 H PHE A 163 49.364 -11.328 34.953 1.00 0.00 H ATOM 1120 N ALA A 164 46.114 -13.535 35.528 1.00 15.96 N ATOM 1121 CA ALA A 164 45.203 -14.143 34.579 1.00 17.39 C ATOM 1122 C ALA A 164 44.195 -13.106 34.087 1.00 18.11 C ATOM 1123 O ALA A 164 44.054 -12.014 34.647 1.00 17.94 O ATOM 1124 CB ALA A 164 44.480 -15.315 35.235 1.00 18.16 C ATOM 1125 H ALA A 164 46.072 -13.820 36.527 1.00 0.00 H ATOM 1126 N ALA A 165 43.479 -13.466 33.019 1.00 19.60 N ATOM 1127 CA ALA A 165 42.491 -12.557 32.445 1.00 20.81 C ATOM 1128 C ALA A 165 41.429 -12.155 33.459 1.00 20.85 C ATOM 1129 O ALA A 165 40.912 -11.033 33.403 1.00 22.43 O ATOM 1130 CB ALA A 165 41.842 -13.193 31.214 1.00 21.81 C ATOM 1131 H ALA A 165 43.626 -14.403 32.592 1.00 0.00 H ATOM 1132 N ASN A 166 41.094 -13.044 34.391 1.00 19.84 N ATOM 1133 CA ASN A 166 40.088 -12.737 35.400 1.00 19.48 C ATOM 1134 C ASN A 166 40.630 -11.944 36.582 1.00 18.28 C ATOM 1135 O ASN A 166 39.867 -11.655 37.510 1.00 18.81 O ATOM 1136 CB ASN A 166 39.394 -14.010 35.889 1.00 20.60 C ATOM 1137 CG ASN A 166 40.332 -14.969 36.603 1.00 21.48 C ATOM 1138 OD1 ASN A 166 41.478 -14.642 36.921 1.00 21.17 O ATOM 1139 ND2 ASN A 166 39.840 -16.176 36.854 1.00 22.77 N ATOM 1140 HD22 ASN A 166 38.868 -16.411 36.569 1.00 0.00 H ATOM 1141 HD21 ASN A 166 40.427 -16.887 37.336 1.00 0.00 H ATOM 1142 H ASN A 166 41.558 -13.975 34.400 1.00 0.00 H ATOM 1143 N GLY A 167 41.915 -11.598 36.587 1.00 16.45 N ATOM 1144 CA GLY A 167 42.477 -10.744 37.609 1.00 14.81 C ATOM 1145 C GLY A 167 43.286 -11.455 38.679 1.00 13.89 C ATOM 1146 O GLY A 167 44.080 -10.805 39.364 1.00 12.62 O ATOM 1147 H GLY A 167 42.535 -11.953 35.831 1.00 0.00 H ATOM 1148 N TRP A 168 43.108 -12.759 38.864 1.00 14.10 N ATOM 1149 CA TRP A 168 43.849 -13.441 39.918 1.00 14.03 C ATOM 1150 C TRP A 168 45.309 -13.612 39.520 1.00 12.91 C ATOM 1151 O TRP A 168 45.624 -13.887 38.357 1.00 13.30 O ATOM 1152 CB TRP A 168 43.212 -14.798 40.231 1.00 15.09 C ATOM 1153 CG TRP A 168 41.949 -14.654 41.020 1.00 16.08 C ATOM 1154 CD1 TRP A 168 40.677 -14.901 40.591 1.00 17.83 C ATOM 1155 CD2 TRP A 168 41.833 -14.204 42.377 1.00 16.37 C ATOM 1156 NE1 TRP A 168 39.778 -14.636 41.597 1.00 18.48 N ATOM 1157 CE2 TRP A 168 40.463 -14.207 42.704 1.00 17.86 C ATOM 1158 CE3 TRP A 168 42.756 -13.798 43.347 1.00 16.61 C ATOM 1159 CZ2 TRP A 168 39.993 -13.823 43.961 1.00 18.47 C ATOM 1160 CZ3 TRP A 168 42.287 -13.413 44.592 1.00 17.21 C ATOM 1161 CH2 TRP A 168 40.917 -13.424 44.887 1.00 17.76 C ATOM 1162 HE1 TRP A 168 38.746 -14.744 41.529 1.00 0.00 H ATOM 1163 H TRP A 168 42.446 -13.288 38.262 1.00 0.00 H ATOM 1164 N VAL A 169 46.207 -13.440 40.496 1.00 11.95 N ATOM 1165 CA VAL A 169 47.630 -13.609 40.225 1.00 11.00 C ATOM 1166 C VAL A 169 47.891 -15.015 39.703 1.00 12.42 C ATOM 1167 O VAL A 169 47.272 -15.995 40.142 1.00 13.81 O ATOM 1168 CB VAL A 169 48.473 -13.290 41.476 1.00 10.66 C ATOM 1169 CG1 VAL A 169 48.291 -14.343 42.578 1.00 11.91 C ATOM 1170 CG2 VAL A 169 49.947 -13.113 41.114 1.00 11.02 C ATOM 1171 H VAL A 169 45.889 -13.185 41.453 1.00 0.00 H ATOM 1172 N GLU A 170 48.801 -15.117 38.754 1.00 12.92 N ATOM 1173 CA GLU A 170 49.255 -16.422 38.317 1.00 14.08 C ATOM 1174 C GLU A 170 50.122 -17.004 39.427 1.00 13.57 C ATOM 1175 O GLU A 170 51.167 -16.425 39.755 1.00 13.13 O ATOM 1176 CB GLU A 170 49.992 -16.272 36.990 1.00 16.24 C ATOM 1177 CG GLU A 170 49.103 -15.579 35.942 1.00 18.41 C ATOM 1178 CD GLU A 170 49.585 -15.734 34.513 1.00 20.10 C ATOM 1179 OE1 GLU A 170 48.917 -16.450 33.735 1.00 21.18 O ATOM 1180 OE2 GLU A 170 50.612 -15.119 34.157 1.00 20.40 O ATOM 1181 H GLU A 170 49.194 -14.258 38.318 1.00 0.00 H ATOM 1182 N PRO A 171 49.708 -18.111 40.055 1.00 13.73 N ATOM 1183 CA PRO A 171 50.362 -18.549 41.300 1.00 14.41 C ATOM 1184 C PRO A 171 51.850 -18.812 41.184 1.00 11.68 C ATOM 1185 O PRO A 171 52.570 -18.628 42.171 1.00 11.31 O ATOM 1186 CB PRO A 171 49.572 -19.808 41.694 1.00 16.97 C ATOM 1187 CG PRO A 171 48.837 -20.203 40.457 1.00 18.14 C ATOM 1188 CD PRO A 171 48.559 -18.956 39.701 1.00 15.87 C ATOM 1189 N ALA A 172 52.339 -19.222 40.012 1.00 10.93 N ATOM 1190 CA ALA A 172 53.771 -19.464 39.863 1.00 10.87 C ATOM 1191 C ALA A 172 54.587 -18.196 40.080 1.00 10.23 C ATOM 1192 O ALA A 172 55.771 -18.279 40.429 1.00 10.89 O ATOM 1193 CB ALA A 172 54.070 -20.021 38.474 1.00 13.28 C ATOM 1194 H ALA A 172 51.700 -19.369 39.205 1.00 0.00 H ATOM 1195 N THR A 173 53.990 -17.016 39.860 1.00 9.82 N ATOM 1196 CA THR A 173 54.710 -15.758 40.040 1.00 9.42 C ATOM 1197 C THR A 173 54.654 -15.244 41.466 1.00 9.72 C ATOM 1198 O THR A 173 55.368 -14.290 41.789 1.00 10.63 O ATOM 1199 CB THR A 173 54.230 -14.663 39.060 1.00 10.30 C ATOM 1200 OG1 THR A 173 52.919 -14.188 39.416 1.00 10.06 O ATOM 1201 CG2 THR A 173 54.252 -15.182 37.620 1.00 11.78 C ATOM 1202 HG1 THR A 173 52.278 -14.942 39.389 1.00 0.00 H ATOM 1203 H THR A 173 52.996 -16.996 39.556 1.00 0.00 H ATOM 1204 N ALA A 174 53.857 -15.871 42.327 1.00 9.29 N ATOM 1205 CA ALA A 174 53.729 -15.462 43.725 1.00 9.13 C ATOM 1206 C ALA A 174 54.005 -16.662 44.623 1.00 9.54 C ATOM 1207 O ALA A 174 53.164 -17.054 45.436 1.00 9.79 O ATOM 1208 CB ALA A 174 52.343 -14.874 43.987 1.00 10.74 C ATOM 1209 H ALA A 174 53.303 -16.685 41.992 1.00 0.00 H ATOM 1210 N PRO A 175 55.193 -17.257 44.521 1.00 9.58 N ATOM 1211 CA PRO A 175 55.489 -18.430 45.346 1.00 10.05 C ATOM 1212 C PRO A 175 55.613 -18.038 46.810 1.00 9.30 C ATOM 1213 O PRO A 175 56.085 -16.951 47.158 1.00 9.43 O ATOM 1214 CB PRO A 175 56.836 -18.908 44.796 1.00 11.09 C ATOM 1215 CG PRO A 175 57.484 -17.635 44.322 1.00 11.32 C ATOM 1216 CD PRO A 175 56.364 -16.846 43.723 1.00 10.33 C ATOM 1217 N ASN A 176 55.175 -18.946 47.680 1.00 9.55 N ATOM 1218 CA ASN A 176 55.366 -18.799 49.127 1.00 10.16 C ATOM 1219 C ASN A 176 54.628 -17.598 49.703 1.00 9.42 C ATOM 1220 O ASN A 176 55.036 -17.040 50.722 1.00 10.17 O ATOM 1221 CB ASN A 176 56.847 -18.794 49.502 1.00 12.66 C ATOM 1222 CG ASN A 176 57.527 -20.063 49.075 1.00 14.81 C ATOM 1223 OD1 ASN A 176 57.116 -21.142 49.487 1.00 15.85 O ATOM 1224 ND2 ASN A 176 58.526 -19.955 48.201 1.00 17.99 N ATOM 1225 HD22 ASN A 176 58.838 -19.016 47.882 1.00 0.00 H ATOM 1226 HD21 ASN A 176 58.994 -20.810 47.838 1.00 0.00 H ATOM 1227 H ASN A 176 54.681 -19.788 47.321 1.00 0.00 H ATOM 1228 N PHE A 177 53.529 -17.203 49.069 1.00 9.57 N ATOM 1229 CA PHE A 177 52.756 -16.073 49.564 1.00 9.56 C ATOM 1230 C PHE A 177 51.861 -16.430 50.749 1.00 10.00 C ATOM 1231 O PHE A 177 51.226 -15.535 51.306 1.00 9.40 O ATOM 1232 CB PHE A 177 51.958 -15.422 48.428 1.00 9.41 C ATOM 1233 CG PHE A 177 52.675 -14.279 47.741 1.00 8.98 C ATOM 1234 CD1 PHE A 177 53.993 -14.400 47.320 1.00 9.31 C ATOM 1235 CD2 PHE A 177 52.018 -13.083 47.513 1.00 9.58 C ATOM 1236 CE1 PHE A 177 54.638 -13.336 46.686 1.00 9.43 C ATOM 1237 CE2 PHE A 177 52.655 -12.026 46.882 1.00 9.86 C ATOM 1238 CZ PHE A 177 53.960 -12.149 46.464 1.00 9.50 C ATOM 1239 H PHE A 177 53.219 -17.705 48.213 1.00 0.00 H ATOM 1240 N GLY A 178 51.811 -17.691 51.176 1.00 11.92 N ATOM 1241 CA GLY A 178 51.033 -18.051 52.339 1.00 12.51 C ATOM 1242 C GLY A 178 49.581 -17.627 52.216 1.00 12.48 C ATOM 1243 O GLY A 178 48.902 -17.939 51.236 1.00 13.94 O ATOM 1244 H GLY A 178 52.339 -18.427 50.665 1.00 0.00 H ATOM 1245 N PRO A 179 49.075 -16.889 53.206 1.00 11.75 N ATOM 1246 CA PRO A 179 47.669 -16.473 53.177 1.00 12.26 C ATOM 1247 C PRO A 179 47.384 -15.287 52.270 1.00 11.30 C ATOM 1248 O PRO A 179 46.214 -14.913 52.134 1.00 12.45 O ATOM 1249 CB PRO A 179 47.398 -16.105 54.641 1.00 14.08 C ATOM 1250 CG PRO A 179 48.709 -15.582 55.109 1.00 13.92 C ATOM 1251 CD PRO A 179 49.752 -16.439 54.435 1.00 13.24 C ATOM 1252 N LEU A 180 48.393 -14.675 51.655 1.00 10.47 N ATOM 1253 CA LEU A 180 48.160 -13.500 50.820 1.00 10.53 C ATOM 1254 C LEU A 180 47.585 -13.924 49.475 1.00 10.82 C ATOM 1255 O LEU A 180 48.191 -14.724 48.756 1.00 12.86 O ATOM 1256 CB LEU A 180 49.451 -12.721 50.602 1.00 10.87 C ATOM 1257 CG LEU A 180 50.163 -12.204 51.845 1.00 11.76 C ATOM 1258 CD1 LEU A 180 51.315 -11.317 51.421 1.00 12.65 C ATOM 1259 CD2 LEU A 180 49.211 -11.451 52.763 1.00 13.08 C ATOM 1260 H LEU A 180 49.361 -15.038 51.771 1.00 0.00 H ATOM 1261 N LYS A 181 46.427 -13.372 49.126 1.00 10.52 N ATOM 1262 CA LYS A 181 45.735 -13.673 47.877 1.00 10.92 C ATOM 1263 C LYS A 181 45.711 -12.394 47.053 1.00 10.43 C ATOM 1264 O LYS A 181 45.013 -11.438 47.406 1.00 11.51 O ATOM 1265 CB LYS A 181 44.314 -14.146 48.171 1.00 13.94 C ATOM 1266 CG LYS A 181 44.232 -15.467 48.925 1.00 17.78 C ATOM 1267 CD LYS A 181 45.257 -16.484 48.433 1.00 22.79 C ATOM 1268 CE LYS A 181 44.846 -17.893 48.810 1.00 26.70 C ATOM 1269 NZ LYS A 181 46.010 -18.680 49.295 1.00 28.38 N ATOM 1270 HZ1 LYS A 181 46.728 -18.733 48.545 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 46.416 -18.216 50.133 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 45.698 -19.640 49.545 1.00 0.00 H ATOM 1273 H LYS A 181 45.991 -12.689 49.778 1.00 0.00 H ATOM 1274 N VAL A 182 46.465 -12.370 45.958 1.00 9.88 N ATOM 1275 CA VAL A 182 46.704 -11.142 45.205 1.00 9.50 C ATOM 1276 C VAL A 182 45.791 -11.093 43.988 1.00 9.60 C ATOM 1277 O VAL A 182 45.725 -12.051 43.207 1.00 10.17 O ATOM 1278 CB VAL A 182 48.184 -11.022 44.806 1.00 9.91 C ATOM 1279 CG1 VAL A 182 48.444 -9.692 44.140 1.00 10.25 C ATOM 1280 CG2 VAL A 182 49.087 -11.199 46.020 1.00 11.72 C ATOM 1281 H VAL A 182 46.899 -13.255 45.627 1.00 0.00 H ATOM 1282 N PHE A 183 45.129 -9.950 43.806 1.00 9.55 N ATOM 1283 CA PHE A 183 44.106 -9.772 42.787 1.00 10.01 C ATOM 1284 C PHE A 183 44.300 -8.431 42.094 1.00 9.57 C ATOM 1285 O PHE A 183 44.440 -7.398 42.755 1.00 9.56 O ATOM 1286 CB PHE A 183 42.719 -9.824 43.435 1.00 11.63 C ATOM 1287 CG PHE A 183 41.584 -9.665 42.466 1.00 12.64 C ATOM 1288 CD1 PHE A 183 41.266 -10.676 41.572 1.00 13.76 C ATOM 1289 CD2 PHE A 183 40.825 -8.504 42.457 1.00 12.99 C ATOM 1290 CE1 PHE A 183 40.216 -10.531 40.683 1.00 14.82 C ATOM 1291 CE2 PHE A 183 39.772 -8.353 41.572 1.00 13.70 C ATOM 1292 CZ PHE A 183 39.470 -9.369 40.684 1.00 14.72 C ATOM 1293 H PHE A 183 45.355 -9.145 44.424 1.00 0.00 H ATOM 1294 N TYR A 184 44.329 -8.458 40.761 1.00 9.66 N ATOM 1295 CA TYR A 184 44.335 -7.245 39.957 1.00 10.09 C ATOM 1296 C TYR A 184 42.895 -6.937 39.579 1.00 11.04 C ATOM 1297 O TYR A 184 42.291 -7.703 38.817 1.00 12.26 O ATOM 1298 CB TYR A 184 45.177 -7.433 38.703 1.00 10.63 C ATOM 1299 CG TYR A 184 45.084 -6.264 37.755 1.00 11.28 C ATOM 1300 CD1 TYR A 184 45.557 -5.015 38.130 1.00 11.38 C ATOM 1301 CD2 TYR A 184 44.521 -6.403 36.491 1.00 12.95 C ATOM 1302 CE1 TYR A 184 45.478 -3.935 37.276 1.00 12.39 C ATOM 1303 CE2 TYR A 184 44.434 -5.323 35.628 1.00 13.62 C ATOM 1304 CZ TYR A 184 44.916 -4.091 36.025 1.00 13.51 C ATOM 1305 OH TYR A 184 44.833 -3.022 35.161 1.00 14.49 O ATOM 1306 HH TYR A 184 45.219 -2.219 35.593 1.00 0.00 H ATOM 1307 H TYR A 184 44.348 -9.379 40.279 1.00 0.00 H ATOM 1308 N PRO A 185 42.301 -5.858 40.086 1.00 11.22 N ATOM 1309 CA PRO A 185 40.870 -5.610 39.871 1.00 12.33 C ATOM 1310 C PRO A 185 40.550 -4.857 38.594 1.00 12.98 C ATOM 1311 O PRO A 185 39.365 -4.646 38.306 1.00 14.00 O ATOM 1312 CB PRO A 185 40.519 -4.742 41.083 1.00 12.62 C ATOM 1313 CG PRO A 185 41.765 -3.934 41.316 1.00 11.53 C ATOM 1314 CD PRO A 185 42.904 -4.875 41.008 1.00 10.99 C ATOM 1315 N GLY A 186 41.568 -4.461 37.837 1.00 12.56 N ATOM 1316 CA GLY A 186 41.393 -3.570 36.721 1.00 13.10 C ATOM 1317 C GLY A 186 41.948 -2.203 37.055 1.00 13.34 C ATOM 1318 O GLY A 186 42.242 -1.888 38.214 1.00 13.20 O ATOM 1319 H GLY A 186 42.523 -4.807 38.059 1.00 0.00 H ATOM 1320 N PRO A 187 42.094 -1.360 36.039 1.00 14.00 N ATOM 1321 CA PRO A 187 42.674 -0.032 36.264 1.00 14.10 C ATOM 1322 C PRO A 187 41.724 0.858 37.052 1.00 13.68 C ATOM 1323 O PRO A 187 40.508 0.842 36.845 1.00 14.27 O ATOM 1324 CB PRO A 187 42.901 0.502 34.846 1.00 15.91 C ATOM 1325 CG PRO A 187 41.989 -0.300 33.972 1.00 17.19 C ATOM 1326 CD PRO A 187 41.797 -1.624 34.620 1.00 15.61 C ATOM 1327 N GLY A 188 42.294 1.645 37.958 1.00 13.03 N ATOM 1328 CA GLY A 188 41.492 2.512 38.794 1.00 12.81 C ATOM 1329 C GLY A 188 42.292 3.699 39.279 1.00 12.26 C ATOM 1330 O GLY A 188 42.501 4.661 38.532 1.00 12.79 O ATOM 1331 H GLY A 188 43.328 1.638 38.068 1.00 0.00 H ATOM 1332 N HIS A 189 42.745 3.648 40.531 1.00 11.67 N ATOM 1333 CA HIS A 189 43.649 4.679 41.031 1.00 11.49 C ATOM 1334 C HIS A 189 44.872 4.806 40.133 1.00 10.74 C ATOM 1335 O HIS A 189 45.334 5.918 39.842 1.00 11.70 O ATOM 1336 CB HIS A 189 44.071 4.339 42.460 1.00 11.16 C ATOM 1337 CG HIS A 189 45.225 5.153 42.965 1.00 10.47 C ATOM 1338 ND1 HIS A 189 45.102 6.479 43.326 1.00 10.66 N ATOM 1339 CD2 HIS A 189 46.528 4.830 43.159 1.00 10.35 C ATOM 1340 CE1 HIS A 189 46.276 6.929 43.736 1.00 10.31 C ATOM 1341 NE2 HIS A 189 47.159 5.949 43.650 1.00 9.88 N ATOM 1342 H HIS A 189 42.453 2.869 41.155 1.00 0.00 H ATOM 1343 N THR A 190 45.414 3.669 39.700 1.00 10.95 N ATOM 1344 CA THR A 190 46.409 3.603 38.642 1.00 10.94 C ATOM 1345 C THR A 190 46.094 2.393 37.778 1.00 11.13 C ATOM 1346 O THR A 190 45.266 1.547 38.127 1.00 11.98 O ATOM 1347 CB THR A 190 47.835 3.443 39.181 1.00 10.82 C ATOM 1348 OG1 THR A 190 47.903 2.245 39.961 1.00 10.75 O ATOM 1349 CG2 THR A 190 48.255 4.617 40.030 1.00 11.29 C ATOM 1350 HG1 THR A 190 48.821 2.134 40.313 1.00 0.00 H ATOM 1351 H THR A 190 45.109 2.779 40.143 1.00 0.00 H ATOM 1352 N SER A 191 46.770 2.313 36.633 1.00 12.18 N ATOM 1353 CA SER A 191 46.566 1.160 35.769 1.00 13.13 C ATOM 1354 C SER A 191 47.168 -0.110 36.347 1.00 11.75 C ATOM 1355 O SER A 191 46.737 -1.207 35.973 1.00 13.03 O ATOM 1356 CB SER A 191 47.168 1.417 34.395 1.00 15.64 C ATOM 1357 OG SER A 191 46.391 2.374 33.706 1.00 17.97 O ATOM 1358 HG SER A 191 46.377 3.219 34.222 1.00 0.00 H ATOM 1359 H SER A 191 47.435 3.065 36.360 1.00 0.00 H ATOM 1360 N ASP A 192 48.156 0.014 37.233 1.00 10.26 N ATOM 1361 CA ASP A 192 48.863 -1.134 37.785 1.00 10.15 C ATOM 1362 C ASP A 192 48.400 -1.531 39.179 1.00 9.51 C ATOM 1363 O ASP A 192 48.941 -2.494 39.735 1.00 9.72 O ATOM 1364 CB ASP A 192 50.384 -0.893 37.786 1.00 10.23 C ATOM 1365 CG ASP A 192 50.809 0.293 38.651 1.00 9.91 C ATOM 1366 OD1 ASP A 192 50.118 1.328 38.623 1.00 10.75 O ATOM 1367 OD2 ASP A 192 51.856 0.200 39.337 1.00 9.26 O ATOM 1368 H ASP A 192 48.433 0.967 37.542 1.00 0.00 H ATOM 1369 N ASN A 193 47.414 -0.841 39.757 1.00 9.31 N ATOM 1370 CA ASN A 193 47.047 -1.103 41.147 1.00 8.69 C ATOM 1371 C ASN A 193 46.615 -2.547 41.374 1.00 8.66 C ATOM 1372 O ASN A 193 45.819 -3.098 40.611 1.00 9.31 O ATOM 1373 CB ASN A 193 46.018 -0.093 41.706 1.00 9.21 C ATOM 1374 CG ASN A 193 44.729 0.107 40.865 1.00 10.21 C ATOM 1375 OD1 ASN A 193 44.101 1.163 41.006 1.00 11.35 O ATOM 1376 ND2 ASN A 193 44.298 -0.881 40.093 1.00 10.71 N ATOM 1377 HD22 ASN A 193 44.858 -1.753 40.003 1.00 0.00 H ATOM 1378 HD21 ASN A 193 43.400 -0.784 39.578 1.00 0.00 H ATOM 1379 H ASN A 193 46.905 -0.114 39.215 1.00 0.00 H ATOM 1380 N ILE A 194 47.143 -3.158 42.435 1.00 7.57 N ATOM 1381 CA ILE A 194 46.741 -4.502 42.829 1.00 7.88 C ATOM 1382 C ILE A 194 46.247 -4.481 44.276 1.00 7.50 C ATOM 1383 O ILE A 194 46.436 -3.510 45.011 1.00 8.07 O ATOM 1384 CB ILE A 194 47.842 -5.556 42.602 1.00 8.11 C ATOM 1385 CG1 ILE A 194 49.103 -5.213 43.408 1.00 8.48 C ATOM 1386 CG2 ILE A 194 48.159 -5.662 41.126 1.00 8.93 C ATOM 1387 CD1 ILE A 194 50.146 -6.336 43.441 1.00 8.98 C ATOM 1388 H ILE A 194 47.863 -2.661 42.998 1.00 0.00 H ATOM 1389 N THR A 195 45.584 -5.566 44.665 1.00 7.92 N ATOM 1390 CA THR A 195 44.907 -5.672 45.950 1.00 8.49 C ATOM 1391 C THR A 195 45.245 -7.023 46.563 1.00 8.33 C ATOM 1392 O THR A 195 45.683 -7.945 45.868 1.00 8.74 O ATOM 1393 CB THR A 195 43.383 -5.503 45.802 1.00 9.33 C ATOM 1394 OG1 THR A 195 42.838 -6.579 45.021 1.00 10.22 O ATOM 1395 CG2 THR A 195 43.046 -4.176 45.124 1.00 9.74 C ATOM 1396 HG1 THR A 195 43.254 -6.577 44.122 1.00 0.00 H ATOM 1397 H THR A 195 45.547 -6.380 44.019 1.00 0.00 H ATOM 1398 N VAL A 196 45.054 -7.142 47.877 1.00 8.57 N ATOM 1399 CA VAL A 196 45.519 -8.324 48.603 1.00 9.03 C ATOM 1400 C VAL A 196 44.503 -8.701 49.673 1.00 9.45 C ATOM 1401 O VAL A 196 44.187 -7.886 50.544 1.00 10.63 O ATOM 1402 CB VAL A 196 46.895 -8.094 49.258 1.00 9.48 C ATOM 1403 CG1 VAL A 196 47.391 -9.380 49.891 1.00 10.91 C ATOM 1404 CG2 VAL A 196 47.922 -7.568 48.260 1.00 10.04 C ATOM 1405 H VAL A 196 44.567 -6.383 48.394 1.00 0.00 H ATOM 1406 N GLY A 197 44.024 -9.937 49.636 1.00 9.90 N ATOM 1407 CA GLY A 197 43.228 -10.488 50.715 1.00 10.80 C ATOM 1408 C GLY A 197 44.096 -11.354 51.609 1.00 10.86 C ATOM 1409 O GLY A 197 45.107 -11.897 51.172 1.00 10.96 O ATOM 1410 H GLY A 197 44.226 -10.530 48.806 1.00 0.00 H ATOM 1411 N ILE A 198 43.710 -11.468 52.874 1.00 11.11 N ATOM 1412 CA ILE A 198 44.436 -12.295 53.834 1.00 11.90 C ATOM 1413 C ILE A 198 43.549 -13.483 54.189 1.00 13.24 C ATOM 1414 O ILE A 198 42.607 -13.368 54.983 1.00 13.67 O ATOM 1415 CB ILE A 198 44.868 -11.512 55.078 1.00 13.62 C ATOM 1416 CG1 ILE A 198 45.605 -10.235 54.666 1.00 14.63 C ATOM 1417 CG2 ILE A 198 45.737 -12.397 55.965 1.00 14.80 C ATOM 1418 CD1 ILE A 198 46.047 -9.384 55.822 1.00 15.49 C ATOM 1419 H ILE A 198 42.864 -10.952 53.191 1.00 0.00 H ATOM 1420 N ASP A 199 43.848 -14.638 53.597 1.00 14.17 N ATOM 1421 CA ASP A 199 43.098 -15.853 53.890 1.00 17.95 C ATOM 1422 C ASP A 199 43.165 -16.156 55.382 1.00 19.36 C ATOM 1423 O ASP A 199 44.181 -15.912 56.040 1.00 19.98 O ATOM 1424 CB ASP A 199 43.694 -17.017 53.095 1.00 20.95 C ATOM 1425 CG ASP A 199 42.650 -18.029 52.646 1.00 24.90 C ATOM 1426 OD1 ASP A 199 41.446 -17.814 52.895 1.00 26.74 O ATOM 1427 OD2 ASP A 199 43.048 -19.046 52.038 1.00 26.19 O ATOM 1428 H ASP A 199 44.631 -14.674 52.913 1.00 0.00 H ATOM 1429 N GLY A 200 42.066 -16.676 55.922 1.00 20.93 N ATOM 1430 CA GLY A 200 41.985 -16.961 57.339 1.00 21.94 C ATOM 1431 C GLY A 200 41.601 -15.783 58.203 1.00 21.98 C ATOM 1432 O GLY A 200 41.511 -15.937 59.429 1.00 23.89 O ATOM 1433 H GLY A 200 41.248 -16.882 55.314 1.00 0.00 H ATOM 1434 N THR A 201 41.385 -14.613 57.609 1.00 19.79 N ATOM 1435 CA THR A 201 40.957 -13.419 58.314 1.00 18.44 C ATOM 1436 C THR A 201 39.788 -12.817 57.554 1.00 17.93 C ATOM 1437 O THR A 201 39.439 -13.252 56.454 1.00 18.52 O ATOM 1438 CB THR A 201 42.075 -12.369 58.388 1.00 17.50 C ATOM 1439 OG1 THR A 201 42.156 -11.683 57.133 1.00 15.72 O ATOM 1440 CG2 THR A 201 43.422 -13.007 58.711 1.00 18.32 C ATOM 1441 HG1 THR A 201 42.356 -12.334 56.415 1.00 0.00 H ATOM 1442 H THR A 201 41.531 -14.550 56.581 1.00 0.00 H ATOM 1443 N ASP A 202 39.193 -11.782 58.141 1.00 17.26 N ATOM 1444 CA ASP A 202 38.150 -11.025 57.466 1.00 17.14 C ATOM 1445 C ASP A 202 38.683 -9.774 56.771 1.00 15.22 C ATOM 1446 O ASP A 202 37.913 -8.844 56.522 1.00 14.74 O ATOM 1447 CB ASP A 202 37.012 -10.684 58.436 1.00 19.60 C ATOM 1448 CG ASP A 202 37.457 -9.801 59.598 1.00 21.64 C ATOM 1449 OD1 ASP A 202 38.635 -9.395 59.659 1.00 22.14 O ATOM 1450 OD2 ASP A 202 36.610 -9.519 60.475 1.00 23.37 O ATOM 1451 H ASP A 202 39.479 -11.508 59.103 1.00 0.00 H ATOM 1452 N ILE A 203 39.972 -9.742 56.437 1.00 13.52 N ATOM 1453 CA ILE A 203 40.651 -8.528 55.992 1.00 12.59 C ATOM 1454 C ILE A 203 40.964 -8.618 54.505 1.00 11.90 C ATOM 1455 O ILE A 203 41.497 -9.629 54.029 1.00 11.90 O ATOM 1456 CB ILE A 203 41.948 -8.296 56.789 1.00 12.92 C ATOM 1457 CG1 ILE A 203 41.639 -8.053 58.264 1.00 14.14 C ATOM 1458 CG2 ILE A 203 42.766 -7.145 56.192 1.00 13.11 C ATOM 1459 CD1 ILE A 203 42.868 -8.082 59.148 1.00 14.77 C ATOM 1460 H ILE A 203 40.521 -10.623 56.496 1.00 0.00 H ATOM 1461 N ALA A 204 40.690 -7.530 53.786 1.00 11.17 N ATOM 1462 CA ALA A 204 41.205 -7.321 52.441 1.00 11.31 C ATOM 1463 C ALA A 204 41.729 -5.896 52.318 1.00 10.54 C ATOM 1464 O ALA A 204 41.196 -4.964 52.929 1.00 12.00 O ATOM 1465 CB ALA A 204 40.147 -7.598 51.366 1.00 13.07 C ATOM 1466 H ALA A 204 40.081 -6.798 54.204 1.00 0.00 H ATOM 1467 N PHE A 205 42.788 -5.745 51.522 1.00 9.68 N ATOM 1468 CA PHE A 205 43.532 -4.499 51.384 1.00 9.10 C ATOM 1469 C PHE A 205 43.333 -3.947 49.978 1.00 8.69 C ATOM 1470 O PHE A 205 43.736 -4.578 48.987 1.00 9.11 O ATOM 1471 CB PHE A 205 45.015 -4.744 51.646 1.00 9.89 C ATOM 1472 CG PHE A 205 45.863 -3.500 51.562 1.00 9.52 C ATOM 1473 CD1 PHE A 205 45.776 -2.515 52.531 1.00 10.99 C ATOM 1474 CD2 PHE A 205 46.768 -3.333 50.531 1.00 9.65 C ATOM 1475 CE1 PHE A 205 46.570 -1.377 52.467 1.00 10.92 C ATOM 1476 CE2 PHE A 205 47.566 -2.200 50.460 1.00 9.55 C ATOM 1477 CZ PHE A 205 47.472 -1.229 51.434 1.00 9.79 C ATOM 1478 H PHE A 205 43.102 -6.566 50.966 1.00 0.00 H ATOM 1479 N GLY A 206 42.716 -2.770 49.892 1.00 9.43 N ATOM 1480 CA GLY A 206 42.492 -2.138 48.615 1.00 10.35 C ATOM 1481 C GLY A 206 43.535 -1.133 48.194 1.00 10.15 C ATOM 1482 O GLY A 206 43.480 -0.632 47.068 1.00 11.17 O ATOM 1483 H GLY A 206 42.390 -2.299 50.760 1.00 0.00 H ATOM 1484 N GLY A 207 44.494 -0.821 49.062 1.00 10.18 N ATOM 1485 CA GLY A 207 45.521 0.142 48.692 1.00 10.16 C ATOM 1486 C GLY A 207 44.916 1.490 48.371 1.00 10.02 C ATOM 1487 O GLY A 207 43.987 1.958 49.039 1.00 11.33 O ATOM 1488 H GLY A 207 44.510 -1.264 50.003 1.00 0.00 H ATOM 1489 N CYS A 208 45.431 2.129 47.326 1.00 9.87 N ATOM 1490 CA CYS A 208 44.881 3.438 46.990 1.00 11.28 C ATOM 1491 C CYS A 208 43.636 3.375 46.116 1.00 11.01 C ATOM 1492 O CYS A 208 43.053 4.427 45.808 1.00 12.79 O ATOM 1493 CB CYS A 208 45.917 4.376 46.383 1.00 11.98 C ATOM 1494 SG CYS A 208 47.369 4.715 47.351 1.00 11.47 S ATOM 1495 H CYS A 208 46.201 1.710 46.766 1.00 0.00 H ATOM 1496 N LEU A 209 43.190 2.179 45.744 1.00 10.83 N ATOM 1497 CA LEU A 209 41.957 2.064 44.976 1.00 11.00 C ATOM 1498 C LEU A 209 40.742 2.462 45.808 1.00 10.59 C ATOM 1499 O LEU A 209 39.817 3.113 45.299 1.00 11.81 O ATOM 1500 CB LEU A 209 41.802 0.627 44.491 1.00 11.01 C ATOM 1501 CG LEU A 209 40.557 0.321 43.664 1.00 11.57 C ATOM 1502 CD1 LEU A 209 40.625 1.030 42.321 1.00 12.16 C ATOM 1503 CD2 LEU A 209 40.412 -1.180 43.482 1.00 12.43 C ATOM 1504 H LEU A 209 43.722 1.324 46.002 1.00 0.00 H ATOM 1505 N ILE A 210 40.711 2.060 47.077 1.00 11.22 N ATOM 1506 CA ILE A 210 39.521 2.179 47.917 1.00 12.06 C ATOM 1507 C ILE A 210 39.693 3.340 48.890 1.00 12.51 C ATOM 1508 O ILE A 210 40.763 3.502 49.496 1.00 12.60 O ATOM 1509 CB ILE A 210 39.240 0.860 48.659 1.00 13.44 C ATOM 1510 CG1 ILE A 210 39.062 -0.292 47.661 1.00 13.82 C ATOM 1511 CG2 ILE A 210 38.021 0.991 49.566 1.00 14.72 C ATOM 1512 CD1 ILE A 210 37.909 -0.102 46.694 1.00 14.57 C ATOM 1513 H ILE A 210 41.571 1.643 47.488 1.00 0.00 H ATOM 1514 N LYS A 211 38.645 4.155 49.021 1.00 13.10 N ATOM 1515 CA LYS A 211 38.549 5.215 50.013 1.00 14.08 C ATOM 1516 C LYS A 211 37.465 4.858 51.024 1.00 14.63 C ATOM 1517 O LYS A 211 36.601 4.016 50.768 1.00 14.60 O ATOM 1518 CB LYS A 211 38.185 6.550 49.356 1.00 15.88 C ATOM 1519 CG LYS A 211 38.870 6.791 48.026 1.00 17.23 C ATOM 1520 CD LYS A 211 40.380 6.842 48.179 1.00 18.40 C ATOM 1521 CE LYS A 211 41.067 6.906 46.831 1.00 19.48 C ATOM 1522 NZ LYS A 211 42.548 7.026 46.949 1.00 19.64 N ATOM 1523 HZ1 LYS A 211 42.784 7.894 47.470 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 42.922 6.201 47.460 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 42.968 7.066 45.998 1.00 0.00 H ATOM 1526 H LYS A 211 37.844 4.024 48.371 1.00 0.00 H ATOM 1527 N ASP A 212 37.511 5.513 52.183 1.00 16.24 N ATOM 1528 CA ASP A 212 36.593 5.142 53.250 1.00 18.39 C ATOM 1529 C ASP A 212 35.165 5.588 52.925 1.00 18.39 C ATOM 1530 O ASP A 212 34.915 6.368 52.002 1.00 18.01 O ATOM 1531 CB ASP A 212 37.071 5.692 54.593 1.00 21.18 C ATOM 1532 CG ASP A 212 36.892 7.195 54.706 1.00 24.07 C ATOM 1533 OD1 ASP A 212 35.781 7.642 55.058 1.00 25.21 O ATOM 1534 OD2 ASP A 212 37.861 7.935 54.435 1.00 26.08 O ATOM 1535 H ASP A 212 38.196 6.282 52.324 1.00 0.00 H ATOM 1536 N SER A 213 34.219 5.069 53.714 1.00 18.83 N ATOM 1537 CA SER A 213 32.795 5.254 53.444 1.00 21.49 C ATOM 1538 C SER A 213 32.332 6.698 53.598 1.00 23.42 C ATOM 1539 O SER A 213 31.245 7.031 53.116 1.00 24.04 O ATOM 1540 CB SER A 213 31.963 4.327 54.331 1.00 23.11 C ATOM 1541 OG SER A 213 32.195 4.592 55.705 1.00 24.35 O ATOM 1542 HG SER A 213 33.153 4.451 55.910 1.00 0.00 H ATOM 1543 H SER A 213 34.506 4.516 54.547 1.00 0.00 H ATOM 1544 N LYS A 214 33.114 7.551 54.262 1.00 25.12 N ATOM 1545 CA LYS A 214 32.791 8.965 54.394 1.00 27.46 C ATOM 1546 C LYS A 214 33.666 9.854 53.519 1.00 25.71 C ATOM 1547 O LYS A 214 33.566 11.082 53.612 1.00 26.24 O ATOM 1548 CB LYS A 214 32.951 9.429 55.840 1.00 31.28 C ATOM 1549 CG LYS A 214 32.324 8.568 56.910 1.00 34.40 C ATOM 1550 CD LYS A 214 31.141 9.298 57.510 1.00 37.01 C ATOM 1551 CE LYS A 214 30.700 8.676 58.829 1.00 38.91 C ATOM 1552 NZ LYS A 214 31.806 8.108 59.659 1.00 39.83 N ATOM 1553 HZ1 LYS A 214 32.291 7.360 59.123 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 32.483 8.862 59.895 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 31.411 7.708 60.534 1.00 0.00 H ATOM 1556 H LYS A 214 33.986 7.193 54.701 1.00 0.00 H ATOM 1557 N ALA A 215 34.522 9.274 52.680 1.00 23.89 N ATOM 1558 CA ALA A 215 35.463 10.079 51.915 1.00 22.39 C ATOM 1559 C ALA A 215 34.728 11.024 50.974 1.00 22.16 C ATOM 1560 O ALA A 215 33.694 10.679 50.394 1.00 21.55 O ATOM 1561 CB ALA A 215 36.394 9.170 51.115 1.00 22.41 C ATOM 1562 H ALA A 215 34.518 8.240 52.571 1.00 0.00 H ATOM 1563 N LYS A 216 35.277 12.229 50.822 1.00 22.97 N ATOM 1564 CA LYS A 216 34.686 13.236 49.952 1.00 24.67 C ATOM 1565 C LYS A 216 35.210 13.182 48.524 1.00 24.38 C ATOM 1566 O LYS A 216 34.567 13.726 47.621 1.00 25.37 O ATOM 1567 CB LYS A 216 34.915 14.638 50.525 1.00 27.59 C ATOM 1568 CG LYS A 216 33.950 14.999 51.638 1.00 29.86 C ATOM 1569 CD LYS A 216 34.366 16.274 52.359 1.00 31.77 C ATOM 1570 CE LYS A 216 34.421 17.466 51.416 1.00 33.27 C ATOM 1571 NZ LYS A 216 34.270 18.757 52.147 1.00 34.15 N ATOM 1572 HZ1 LYS A 216 33.354 18.770 52.639 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 35.039 18.853 52.841 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 34.313 19.545 51.469 1.00 0.00 H ATOM 1575 H LYS A 216 36.151 12.456 51.338 1.00 0.00 H ATOM 1576 N SER A 217 36.350 12.540 48.286 1.00 23.46 N ATOM 1577 CA SER A 217 36.887 12.479 46.936 1.00 23.41 C ATOM 1578 C SER A 217 37.653 11.181 46.752 1.00 22.41 C ATOM 1579 O SER A 217 37.864 10.417 47.697 1.00 22.04 O ATOM 1580 CB SER A 217 37.783 13.683 46.624 1.00 24.58 C ATOM 1581 OG SER A 217 39.113 13.464 47.058 1.00 25.85 O ATOM 1582 HG SER A 217 39.664 14.258 46.842 1.00 0.00 H ATOM 1583 H SER A 217 36.859 12.080 49.068 1.00 0.00 H ATOM 1584 N LEU A 218 38.065 10.940 45.510 1.00 21.53 N ATOM 1585 CA LEU A 218 38.905 9.803 45.166 1.00 21.38 C ATOM 1586 C LEU A 218 40.393 10.136 45.220 1.00 21.43 C ATOM 1587 O LEU A 218 41.211 9.350 44.731 1.00 22.18 O ATOM 1588 CB LEU A 218 38.514 9.252 43.794 1.00 21.58 C ATOM 1589 CG LEU A 218 37.117 8.630 43.727 1.00 22.26 C ATOM 1590 CD1 LEU A 218 36.713 8.395 42.284 1.00 22.89 C ATOM 1591 CD2 LEU A 218 37.062 7.329 44.517 1.00 21.97 C ATOM 1592 H LEU A 218 37.774 11.592 44.753 1.00 0.00 H ATOM 1593 N GLY A 219 40.758 11.282 45.794 1.00 21.14 N ATOM 1594 CA GLY A 219 42.164 11.563 46.047 1.00 20.72 C ATOM 1595 C GLY A 219 42.930 11.887 44.777 1.00 19.26 C ATOM 1596 O GLY A 219 42.433 12.570 43.877 1.00 19.99 O ATOM 1597 H GLY A 219 40.035 11.979 46.063 1.00 0.00 H ATOM 1598 N ASN A 220 44.164 11.391 44.699 1.00 17.89 N ATOM 1599 CA ASN A 220 45.042 11.716 43.579 1.00 16.46 C ATOM 1600 C ASN A 220 44.647 10.885 42.364 1.00 16.26 C ATOM 1601 O ASN A 220 44.890 9.673 42.322 1.00 16.26 O ATOM 1602 CB ASN A 220 46.501 11.456 43.939 1.00 16.27 C ATOM 1603 CG ASN A 220 47.413 11.573 42.734 1.00 15.46 C ATOM 1604 OD1 ASN A 220 47.199 12.431 41.878 1.00 16.36 O ATOM 1605 ND2 ASN A 220 48.422 10.710 42.650 1.00 15.22 N ATOM 1606 HD22 ASN A 220 48.564 10.002 43.398 1.00 0.00 H ATOM 1607 HD21 ASN A 220 49.069 10.744 41.836 1.00 0.00 H ATOM 1608 H ASN A 220 44.508 10.760 45.451 1.00 0.00 H ATOM 1609 N LEU A 221 44.064 11.546 41.366 1.00 16.55 N ATOM 1610 CA LEU A 221 43.675 10.909 40.117 1.00 16.94 C ATOM 1611 C LEU A 221 44.669 11.170 38.989 1.00 16.18 C ATOM 1612 O LEU A 221 44.358 10.895 37.827 1.00 16.46 O ATOM 1613 CB LEU A 221 42.263 11.340 39.709 1.00 18.53 C ATOM 1614 CG LEU A 221 41.141 10.947 40.677 1.00 19.93 C ATOM 1615 CD1 LEU A 221 39.820 11.571 40.252 1.00 20.91 C ATOM 1616 CD2 LEU A 221 41.009 9.439 40.776 1.00 20.40 C ATOM 1617 H LEU A 221 43.878 12.562 41.484 1.00 0.00 H ATOM 1618 N GLY A 222 45.867 11.666 39.310 1.00 15.71 N ATOM 1619 CA GLY A 222 46.829 12.007 38.274 1.00 15.37 C ATOM 1620 C GLY A 222 47.183 10.864 37.339 1.00 15.47 C ATOM 1621 O GLY A 222 47.436 11.087 36.150 1.00 17.05 O ATOM 1622 H GLY A 222 46.114 11.810 40.310 1.00 0.00 H ATOM 1623 N ASP A 223 47.211 9.633 37.850 1.00 14.46 N ATOM 1624 CA ASP A 223 47.534 8.468 37.033 1.00 14.02 C ATOM 1625 C ASP A 223 46.356 7.512 36.911 1.00 13.41 C ATOM 1626 O ASP A 223 46.536 6.347 36.535 1.00 12.80 O ATOM 1627 CB ASP A 223 48.770 7.751 37.579 1.00 14.40 C ATOM 1628 CG ASP A 223 50.041 8.553 37.374 1.00 15.43 C ATOM 1629 OD1 ASP A 223 50.265 9.028 36.245 1.00 17.78 O ATOM 1630 OD2 ASP A 223 50.814 8.736 38.334 1.00 15.10 O ATOM 1631 H ASP A 223 46.997 9.499 38.859 1.00 0.00 H ATOM 1632 N ALA A 224 45.150 7.997 37.185 1.00 13.85 N ATOM 1633 CA ALA A 224 43.974 7.156 37.283 1.00 14.72 C ATOM 1634 C ALA A 224 43.367 6.871 35.916 1.00 15.87 C ATOM 1635 O ALA A 224 43.543 7.618 34.946 1.00 16.98 O ATOM 1636 CB ALA A 224 42.921 7.812 38.175 1.00 14.99 C ATOM 1637 H ALA A 224 45.046 9.021 37.335 1.00 0.00 H ATOM 1638 N ASP A 225 42.635 5.763 35.862 1.00 16.55 N ATOM 1639 CA ASP A 225 41.781 5.405 34.736 1.00 17.97 C ATOM 1640 C ASP A 225 40.350 5.697 35.181 1.00 18.58 C ATOM 1641 O ASP A 225 39.713 4.876 35.846 1.00 19.21 O ATOM 1642 CB ASP A 225 41.976 3.931 34.400 1.00 18.74 C ATOM 1643 CG ASP A 225 41.233 3.508 33.145 1.00 19.86 C ATOM 1644 OD1 ASP A 225 40.120 4.015 32.896 1.00 20.22 O ATOM 1645 OD2 ASP A 225 41.763 2.659 32.400 1.00 21.03 O ATOM 1646 H ASP A 225 42.674 5.112 36.672 1.00 0.00 H ATOM 1647 N THR A 226 39.849 6.880 34.821 1.00 20.56 N ATOM 1648 CA THR A 226 38.563 7.319 35.353 1.00 22.63 C ATOM 1649 C THR A 226 37.396 6.540 34.760 1.00 23.22 C ATOM 1650 O THR A 226 36.365 6.375 35.424 1.00 24.64 O ATOM 1651 CB THR A 226 38.389 8.819 35.124 1.00 24.37 C ATOM 1652 OG1 THR A 226 38.503 9.103 33.724 1.00 24.77 O ATOM 1653 CG2 THR A 226 39.454 9.595 35.885 1.00 25.12 C ATOM 1654 HG1 THR A 226 37.802 8.609 33.230 1.00 0.00 H ATOM 1655 H THR A 226 40.375 7.489 34.162 1.00 0.00 H ATOM 1656 N GLU A 227 37.538 6.058 33.523 1.00 22.48 N ATOM 1657 CA GLU A 227 36.459 5.310 32.887 1.00 22.96 C ATOM 1658 C GLU A 227 36.213 3.980 33.590 1.00 21.30 C ATOM 1659 O GLU A 227 35.060 3.565 33.755 1.00 21.42 O ATOM 1660 CB GLU A 227 36.786 5.084 31.409 1.00 25.09 C ATOM 1661 CG GLU A 227 35.866 4.097 30.701 1.00 27.20 C ATOM 1662 CD GLU A 227 36.376 3.693 29.328 1.00 28.76 C ATOM 1663 OE1 GLU A 227 35.654 2.965 28.615 1.00 29.13 O ATOM 1664 OE2 GLU A 227 37.497 4.102 28.960 1.00 29.52 O ATOM 1665 H GLU A 227 38.427 6.217 33.007 1.00 0.00 H ATOM 1666 N HIS A 228 37.280 3.306 34.020 1.00 19.71 N ATOM 1667 CA HIS A 228 37.190 1.948 34.552 1.00 18.57 C ATOM 1668 C HIS A 228 37.203 1.867 36.074 1.00 16.41 C ATOM 1669 O HIS A 228 37.016 0.773 36.616 1.00 15.74 O ATOM 1670 CB HIS A 228 38.326 1.079 33.991 1.00 20.76 C ATOM 1671 CG HIS A 228 38.267 0.897 32.507 1.00 22.61 C ATOM 1672 ND1 HIS A 228 39.116 1.551 31.641 1.00 23.51 N ATOM 1673 CD2 HIS A 228 37.452 0.141 31.735 1.00 23.65 C ATOM 1674 CE1 HIS A 228 38.832 1.200 30.399 1.00 24.28 C ATOM 1675 NE2 HIS A 228 37.826 0.346 30.429 1.00 24.52 N ATOM 1676 H HIS A 228 38.212 3.764 33.975 1.00 0.00 H ATOM 1677 N TYR A 229 37.405 2.989 36.767 1.00 15.88 N ATOM 1678 CA TYR A 229 37.565 2.982 38.218 1.00 14.51 C ATOM 1679 C TYR A 229 36.411 2.282 38.930 1.00 14.39 C ATOM 1680 O TYR A 229 36.634 1.432 39.797 1.00 13.59 O ATOM 1681 CB TYR A 229 37.704 4.424 38.708 1.00 14.42 C ATOM 1682 CG TYR A 229 38.413 4.610 40.034 1.00 13.92 C ATOM 1683 CD1 TYR A 229 38.011 3.926 41.175 1.00 14.36 C ATOM 1684 CD2 TYR A 229 39.459 5.518 40.153 1.00 13.48 C ATOM 1685 CE1 TYR A 229 38.655 4.113 42.390 1.00 14.12 C ATOM 1686 CE2 TYR A 229 40.110 5.715 41.367 1.00 13.63 C ATOM 1687 CZ TYR A 229 39.703 5.011 42.479 1.00 13.60 C ATOM 1688 OH TYR A 229 40.359 5.208 43.679 1.00 13.27 O ATOM 1689 HH TYR A 229 39.951 4.634 44.375 1.00 0.00 H ATOM 1690 H TYR A 229 37.450 3.895 36.259 1.00 0.00 H ATOM 1691 N ALA A 230 35.167 2.649 38.603 1.00 14.99 N ATOM 1692 CA ALA A 230 34.027 2.104 39.337 1.00 16.43 C ATOM 1693 C ALA A 230 33.980 0.585 39.237 1.00 15.76 C ATOM 1694 O ALA A 230 33.802 -0.113 40.245 1.00 16.04 O ATOM 1695 CB ALA A 230 32.725 2.722 38.828 1.00 17.52 C ATOM 1696 H ALA A 230 35.011 3.323 37.826 1.00 0.00 H ATOM 1697 N ALA A 231 34.135 0.055 38.022 1.00 16.06 N ATOM 1698 CA ALA A 231 34.109 -1.390 37.834 1.00 15.87 C ATOM 1699 C ALA A 231 35.259 -2.059 38.571 1.00 14.69 C ATOM 1700 O ALA A 231 35.096 -3.150 39.128 1.00 15.53 O ATOM 1701 CB ALA A 231 34.163 -1.721 36.343 1.00 17.32 C ATOM 1702 H ALA A 231 34.276 0.679 37.202 1.00 0.00 H ATOM 1703 N SER A 232 36.427 -1.413 38.597 1.00 13.56 N ATOM 1704 CA SER A 232 37.570 -1.992 39.293 1.00 13.58 C ATOM 1705 C SER A 232 37.338 -2.041 40.798 1.00 12.97 C ATOM 1706 O SER A 232 37.665 -3.039 41.444 1.00 12.42 O ATOM 1707 CB SER A 232 38.842 -1.227 38.942 1.00 13.61 C ATOM 1708 OG SER A 232 39.092 -1.332 37.549 1.00 14.11 O ATOM 1709 HG SER A 232 39.918 -0.835 37.325 1.00 0.00 H ATOM 1710 H SER A 232 36.522 -0.494 38.119 1.00 0.00 H ATOM 1711 N ALA A 233 36.753 -0.983 41.371 1.00 12.51 N ATOM 1712 CA ALA A 233 36.394 -1.021 42.785 1.00 13.36 C ATOM 1713 C ALA A 233 35.425 -2.163 43.087 1.00 13.50 C ATOM 1714 O ALA A 233 35.593 -2.882 44.078 1.00 14.19 O ATOM 1715 CB ALA A 233 35.825 0.328 43.224 1.00 14.26 C ATOM 1716 H ALA A 233 36.554 -0.132 40.808 1.00 0.00 H ATOM 1717 N ARG A 234 34.394 -2.340 42.249 1.00 13.73 N ATOM 1718 CA ARG A 234 33.431 -3.415 42.479 1.00 14.83 C ATOM 1719 C ARG A 234 34.062 -4.787 42.288 1.00 14.23 C ATOM 1720 O ARG A 234 33.715 -5.731 43.008 1.00 15.67 O ATOM 1721 CB ARG A 234 32.205 -3.234 41.583 1.00 15.68 C ATOM 1722 CG ARG A 234 31.451 -1.962 41.899 1.00 16.53 C ATOM 1723 CD ARG A 234 30.100 -1.869 41.220 1.00 16.81 C ATOM 1724 NE ARG A 234 29.364 -0.760 41.814 1.00 16.72 N ATOM 1725 CZ ARG A 234 29.185 0.425 41.239 1.00 15.76 C ATOM 1726 NH1 ARG A 234 29.650 0.660 40.016 1.00 15.88 N ATOM 1727 NH2 ARG A 234 28.525 1.372 41.888 1.00 16.09 N ATOM 1728 HE ARG A 234 28.949 -0.906 42.756 1.00 0.00 H ATOM 1729 HH12 ARG A 234 29.505 1.590 39.574 1.00 0.00 H ATOM 1730 HH11 ARG A 234 30.159 -0.087 39.501 1.00 0.00 H ATOM 1731 HH22 ARG A 234 28.381 2.302 41.445 1.00 0.00 H ATOM 1732 HH21 ARG A 234 28.151 1.186 42.840 1.00 0.00 H ATOM 1733 H ARG A 234 34.279 -1.709 41.431 1.00 0.00 H ATOM 1734 N ALA A 235 35.003 -4.911 41.347 1.00 14.28 N ATOM 1735 CA ALA A 235 35.683 -6.186 41.152 1.00 14.42 C ATOM 1736 C ALA A 235 36.499 -6.572 42.379 1.00 13.55 C ATOM 1737 O ALA A 235 36.561 -7.752 42.743 1.00 13.59 O ATOM 1738 CB ALA A 235 36.561 -6.127 39.903 1.00 14.83 C ATOM 1739 H ALA A 235 35.251 -4.095 40.752 1.00 0.00 H ATOM 1740 N PHE A 236 37.143 -5.590 43.022 1.00 12.95 N ATOM 1741 CA PHE A 236 37.828 -5.849 44.285 1.00 12.67 C ATOM 1742 C PHE A 236 36.868 -6.432 45.318 1.00 12.98 C ATOM 1743 O PHE A 236 37.175 -7.435 45.970 1.00 13.96 O ATOM 1744 CB PHE A 236 38.485 -4.562 44.798 1.00 12.37 C ATOM 1745 CG PHE A 236 38.892 -4.615 46.251 1.00 11.32 C ATOM 1746 CD1 PHE A 236 39.988 -5.363 46.653 1.00 11.14 C ATOM 1747 CD2 PHE A 236 38.175 -3.910 47.209 1.00 12.12 C ATOM 1748 CE1 PHE A 236 40.367 -5.408 47.984 1.00 11.04 C ATOM 1749 CE2 PHE A 236 38.549 -3.945 48.542 1.00 12.45 C ATOM 1750 CZ PHE A 236 39.653 -4.699 48.929 1.00 11.39 C ATOM 1751 H PHE A 236 37.155 -4.632 42.617 1.00 0.00 H ATOM 1752 N GLY A 237 35.689 -5.820 45.472 1.00 13.48 N ATOM 1753 CA GLY A 237 34.717 -6.346 46.421 1.00 14.05 C ATOM 1754 C GLY A 237 34.272 -7.759 46.096 1.00 14.05 C ATOM 1755 O GLY A 237 34.141 -8.601 46.989 1.00 15.62 O ATOM 1756 H GLY A 237 35.466 -4.970 44.915 1.00 0.00 H ATOM 1757 N ALA A 238 34.064 -8.047 44.808 1.00 14.98 N ATOM 1758 CA ALA A 238 33.601 -9.370 44.402 1.00 15.47 C ATOM 1759 C ALA A 238 34.687 -10.425 44.559 1.00 16.07 C ATOM 1760 O ALA A 238 34.373 -11.609 44.733 1.00 17.18 O ATOM 1761 CB ALA A 238 33.114 -9.331 42.956 1.00 16.57 C ATOM 1762 H ALA A 238 34.234 -7.319 44.085 1.00 0.00 H ATOM 1763 N ALA A 239 35.960 -10.022 44.482 1.00 15.47 N ATOM 1764 CA ALA A 239 37.059 -10.968 44.644 1.00 14.76 C ATOM 1765 C ALA A 239 37.199 -11.424 46.089 1.00 14.85 C ATOM 1766 O ALA A 239 37.673 -12.538 46.343 1.00 15.82 O ATOM 1767 CB ALA A 239 38.368 -10.332 44.175 1.00 14.93 C ATOM 1768 H ALA A 239 36.170 -9.019 44.304 1.00 0.00 H ATOM 1769 N PHE A 240 36.801 -10.579 47.040 1.00 14.59 N ATOM 1770 CA PHE A 240 36.960 -10.856 48.468 1.00 14.97 C ATOM 1771 C PHE A 240 35.622 -10.693 49.182 1.00 15.68 C ATOM 1772 O PHE A 240 35.470 -9.841 50.062 1.00 15.38 O ATOM 1773 CB PHE A 240 38.031 -9.945 49.068 1.00 14.54 C ATOM 1774 CG PHE A 240 39.351 -10.029 48.359 1.00 13.81 C ATOM 1775 CD1 PHE A 240 40.127 -11.166 48.471 1.00 14.22 C ATOM 1776 CD2 PHE A 240 39.807 -8.982 47.575 1.00 12.78 C ATOM 1777 CE1 PHE A 240 41.344 -11.257 47.826 1.00 13.38 C ATOM 1778 CE2 PHE A 240 41.030 -9.067 46.921 1.00 12.80 C ATOM 1779 CZ PHE A 240 41.794 -10.209 47.049 1.00 13.04 C ATOM 1780 H PHE A 240 36.358 -9.683 46.754 1.00 0.00 H ATOM 1781 N PRO A 241 34.624 -11.509 48.830 1.00 17.72 N ATOM 1782 CA PRO A 241 33.270 -11.277 49.361 1.00 20.07 C ATOM 1783 C PRO A 241 33.151 -11.455 50.864 1.00 22.58 C ATOM 1784 O PRO A 241 32.235 -10.880 51.466 1.00 24.28 O ATOM 1785 CB PRO A 241 32.412 -12.301 48.605 1.00 20.65 C ATOM 1786 CG PRO A 241 33.374 -13.381 48.219 1.00 20.00 C ATOM 1787 CD PRO A 241 34.678 -12.686 47.944 1.00 18.81 C ATOM 1788 N LYS A 242 34.030 -12.229 51.490 1.00 24.51 N ATOM 1789 CA LYS A 242 33.946 -12.472 52.924 1.00 27.09 C ATOM 1790 C LYS A 242 34.700 -11.440 53.752 1.00 24.99 C ATOM 1791 O LYS A 242 34.630 -11.486 54.984 1.00 26.75 O ATOM 1792 CB LYS A 242 34.451 -13.877 53.260 1.00 31.21 C ATOM 1793 CG LYS A 242 33.527 -14.989 52.797 1.00 34.59 C ATOM 1794 CD LYS A 242 34.014 -16.341 53.287 1.00 37.23 C ATOM 1795 CE LYS A 242 34.288 -16.315 54.782 1.00 39.06 C ATOM 1796 NZ LYS A 242 34.793 -17.623 55.276 1.00 40.05 N ATOM 1797 HZ1 LYS A 242 34.085 -18.361 55.087 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 35.680 -17.858 54.786 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 34.967 -17.562 56.300 1.00 0.00 H ATOM 1800 H LYS A 242 34.796 -12.672 50.944 1.00 0.00 H ATOM 1801 N ALA A 243 35.408 -10.512 53.113 1.00 20.55 N ATOM 1802 CA ALA A 243 36.190 -9.513 53.832 1.00 18.52 C ATOM 1803 C ALA A 243 35.250 -8.465 54.411 1.00 18.39 C ATOM 1804 O ALA A 243 34.638 -7.687 53.672 1.00 20.04 O ATOM 1805 CB ALA A 243 37.210 -8.869 52.900 1.00 17.52 C ATOM 1806 H ALA A 243 35.404 -10.499 52.073 1.00 0.00 H ATOM 1807 N SER A 244 35.137 -8.439 55.733 1.00 16.60 N ATOM 1808 CA SER A 244 34.336 -7.431 56.408 1.00 17.02 C ATOM 1809 C SER A 244 35.156 -6.235 56.865 1.00 16.32 C ATOM 1810 O SER A 244 34.578 -5.179 57.153 1.00 18.22 O ATOM 1811 CB SER A 244 33.621 -8.048 57.611 1.00 18.10 C ATOM 1812 OG SER A 244 34.545 -8.637 58.504 1.00 19.86 O ATOM 1813 HG SER A 244 34.057 -9.028 59.272 1.00 0.00 H ATOM 1814 H SER A 244 35.633 -9.156 56.299 1.00 0.00 H ATOM 1815 N MET A 245 36.481 -6.370 56.935 1.00 15.11 N ATOM 1816 CA MET A 245 37.367 -5.268 57.291 1.00 14.75 C ATOM 1817 C MET A 245 38.171 -4.899 56.055 1.00 13.70 C ATOM 1818 O MET A 245 38.987 -5.694 55.573 1.00 14.18 O ATOM 1819 CB MET A 245 38.299 -5.637 58.439 1.00 15.84 C ATOM 1820 CG MET A 245 39.145 -4.455 58.869 1.00 17.03 C ATOM 1821 SD MET A 245 40.469 -4.854 60.006 1.00 18.10 S ATOM 1822 CE MET A 245 39.658 -6.015 61.099 1.00 19.62 C ATOM 1823 H MET A 245 36.899 -7.299 56.727 1.00 0.00 H ATOM 1824 N ILE A 246 37.937 -3.700 55.543 1.00 12.47 N ATOM 1825 CA ILE A 246 38.602 -3.216 54.348 1.00 12.01 C ATOM 1826 C ILE A 246 39.677 -2.227 54.773 1.00 11.88 C ATOM 1827 O ILE A 246 39.381 -1.177 55.356 1.00 12.56 O ATOM 1828 CB ILE A 246 37.600 -2.582 53.376 1.00 12.69 C ATOM 1829 CG1 ILE A 246 36.459 -3.563 53.058 1.00 13.31 C ATOM 1830 CG2 ILE A 246 38.310 -2.111 52.118 1.00 12.89 C ATOM 1831 CD1 ILE A 246 36.915 -4.908 52.528 1.00 13.39 C ATOM 1832 H ILE A 246 37.249 -3.081 56.017 1.00 0.00 H ATOM 1833 N VAL A 247 40.917 -2.571 54.492 1.00 11.26 N ATOM 1834 CA VAL A 247 42.071 -1.740 54.800 1.00 10.88 C ATOM 1835 C VAL A 247 42.457 -0.994 53.531 1.00 10.47 C ATOM 1836 O VAL A 247 42.347 -1.534 52.423 1.00 11.65 O ATOM 1837 CB VAL A 247 43.218 -2.627 55.328 1.00 11.18 C ATOM 1838 CG1 VAL A 247 44.456 -1.797 55.695 1.00 11.75 C ATOM 1839 CG2 VAL A 247 42.734 -3.434 56.539 1.00 12.66 C ATOM 1840 H VAL A 247 41.080 -3.486 54.025 1.00 0.00 H ATOM 1841 N MET A 248 42.910 0.249 53.683 1.00 10.40 N ATOM 1842 CA MET A 248 43.200 1.088 52.526 1.00 11.03 C ATOM 1843 C MET A 248 44.349 2.029 52.858 1.00 10.12 C ATOM 1844 O MET A 248 44.782 2.131 54.006 1.00 10.21 O ATOM 1845 CB MET A 248 41.963 1.857 52.051 1.00 14.06 C ATOM 1846 CG MET A 248 41.420 2.836 53.064 1.00 16.15 C ATOM 1847 SD MET A 248 39.621 3.050 52.968 1.00 17.85 S ATOM 1848 CE MET A 248 39.066 1.801 54.123 1.00 18.52 C ATOM 1849 H MET A 248 43.059 0.627 54.640 1.00 0.00 H ATOM 1850 N SER A 249 44.832 2.736 51.832 1.00 10.14 N ATOM 1851 CA SER A 249 46.082 3.477 51.989 1.00 10.45 C ATOM 1852 C SER A 249 45.957 4.696 52.896 1.00 10.89 C ATOM 1853 O SER A 249 46.910 5.018 53.606 1.00 11.26 O ATOM 1854 CB SER A 249 46.642 3.910 50.640 1.00 11.19 C ATOM 1855 OG SER A 249 47.177 2.810 49.940 1.00 11.37 O ATOM 1856 HG SER A 249 47.534 3.117 49.069 1.00 0.00 H ATOM 1857 H SER A 249 44.321 2.759 50.926 1.00 0.00 H ATOM 1858 N HIS A 250 44.841 5.435 52.848 1.00 12.95 N ATOM 1859 CA HIS A 250 44.835 6.767 53.450 1.00 15.81 C ATOM 1860 C HIS A 250 43.716 6.977 54.464 1.00 18.03 C ATOM 1861 O HIS A 250 43.410 8.121 54.815 1.00 20.87 O ATOM 1862 CB HIS A 250 44.795 7.861 52.384 1.00 16.17 C ATOM 1863 CG HIS A 250 45.886 7.740 51.374 1.00 14.52 C ATOM 1864 ND1 HIS A 250 47.219 7.786 51.717 1.00 12.98 N ATOM 1865 CD2 HIS A 250 45.846 7.565 50.034 1.00 14.64 C ATOM 1866 CE1 HIS A 250 47.955 7.644 50.630 1.00 12.77 C ATOM 1867 NE2 HIS A 250 47.146 7.515 49.596 1.00 13.55 N ATOM 1868 H HIS A 250 43.986 5.064 52.386 1.00 0.00 H ATOM 1869 N SER A 251 43.095 5.907 54.939 1.00 17.95 N ATOM 1870 CA SER A 251 42.075 6.019 55.968 1.00 17.98 C ATOM 1871 C SER A 251 42.181 4.797 56.853 1.00 16.53 C ATOM 1872 O SER A 251 42.752 3.777 56.459 1.00 14.96 O ATOM 1873 CB SER A 251 40.667 6.101 55.373 1.00 19.41 C ATOM 1874 OG SER A 251 40.498 7.299 54.645 1.00 21.46 O ATOM 1875 HG SER A 251 39.582 7.330 54.270 1.00 0.00 H ATOM 1876 H SER A 251 43.343 4.968 54.568 1.00 0.00 H ATOM 1877 N ALA A 252 41.623 4.914 58.056 1.00 16.51 N ATOM 1878 CA ALA A 252 41.548 3.787 58.963 1.00 15.66 C ATOM 1879 C ALA A 252 40.684 2.687 58.350 1.00 13.93 C ATOM 1880 O ALA A 252 39.858 2.948 57.473 1.00 14.48 O ATOM 1881 CB ALA A 252 40.959 4.241 60.298 1.00 17.09 C ATOM 1882 H ALA A 252 41.233 5.832 58.350 1.00 0.00 H ATOM 1883 N PRO A 253 40.869 1.442 58.790 1.00 13.35 N ATOM 1884 CA PRO A 253 40.054 0.344 58.256 1.00 13.86 C ATOM 1885 C PRO A 253 38.570 0.620 58.429 1.00 14.16 C ATOM 1886 O PRO A 253 38.135 1.245 59.399 1.00 14.99 O ATOM 1887 CB PRO A 253 40.493 -0.860 59.094 1.00 14.35 C ATOM 1888 CG PRO A 253 41.900 -0.529 59.495 1.00 14.31 C ATOM 1889 CD PRO A 253 41.923 0.960 59.699 1.00 13.81 C ATOM 1890 N ASP A 254 37.788 0.145 57.469 1.00 13.94 N ATOM 1891 CA ASP A 254 36.368 0.446 57.415 1.00 14.79 C ATOM 1892 C ASP A 254 35.606 -0.819 57.051 1.00 14.42 C ATOM 1893 O ASP A 254 36.192 -1.862 56.756 1.00 14.70 O ATOM 1894 CB ASP A 254 36.112 1.537 56.371 1.00 16.56 C ATOM 1895 CG ASP A 254 34.824 2.308 56.612 1.00 18.60 C ATOM 1896 OD1 ASP A 254 34.068 1.997 57.561 1.00 18.73 O ATOM 1897 OD2 ASP A 254 34.567 3.237 55.823 1.00 20.40 O ATOM 1898 H ASP A 254 38.204 -0.461 56.733 1.00 0.00 H ATOM 1899 N SER A 255 34.279 -0.713 57.074 1.00 14.48 N ATOM 1900 CA SER A 255 33.419 -1.786 56.610 1.00 14.22 C ATOM 1901 C SER A 255 33.383 -1.806 55.085 1.00 13.42 C ATOM 1902 O SER A 255 34.004 -0.983 54.405 1.00 13.42 O ATOM 1903 CB SER A 255 32.007 -1.580 57.143 1.00 15.32 C ATOM 1904 OG SER A 255 31.352 -0.574 56.387 1.00 16.28 O ATOM 1905 HG SER A 255 31.858 0.274 56.460 1.00 0.00 H ATOM 1906 H SER A 255 33.847 0.162 57.434 1.00 0.00 H ATOM 1907 N ARG A 256 32.621 -2.753 54.535 1.00 13.64 N ATOM 1908 CA ARG A 256 32.486 -2.851 53.087 1.00 13.05 C ATOM 1909 C ARG A 256 31.781 -1.652 52.476 1.00 13.29 C ATOM 1910 O ARG A 256 31.794 -1.507 51.249 1.00 12.89 O ATOM 1911 CB ARG A 256 31.772 -4.147 52.702 1.00 13.76 C ATOM 1912 CG ARG A 256 32.565 -5.396 53.042 1.00 14.69 C ATOM 1913 CD ARG A 256 31.838 -6.663 52.637 1.00 15.27 C ATOM 1914 NE ARG A 256 31.765 -6.845 51.190 1.00 14.96 N ATOM 1915 CZ ARG A 256 32.743 -7.350 50.444 1.00 15.52 C ATOM 1916 NH1 ARG A 256 33.888 -7.705 51.005 1.00 15.48 N ATOM 1917 NH2 ARG A 256 32.580 -7.490 49.135 1.00 16.09 N ATOM 1918 HE ARG A 256 30.888 -6.560 50.710 1.00 0.00 H ATOM 1919 HH12 ARG A 256 34.653 -8.100 50.421 1.00 0.00 H ATOM 1920 HH11 ARG A 256 34.023 -7.589 52.030 1.00 0.00 H ATOM 1921 HH22 ARG A 256 33.347 -7.885 48.555 1.00 0.00 H ATOM 1922 HH21 ARG A 256 31.685 -7.204 48.689 1.00 0.00 H ATOM 1923 H ARG A 256 32.118 -3.428 55.146 1.00 0.00 H ATOM 1924 N ALA A 257 31.172 -0.790 53.291 1.00 13.49 N ATOM 1925 CA ALA A 257 30.652 0.466 52.768 1.00 13.74 C ATOM 1926 C ALA A 257 31.745 1.305 52.119 1.00 13.43 C ATOM 1927 O ALA A 257 31.444 2.139 51.259 1.00 13.41 O ATOM 1928 CB ALA A 257 29.920 1.255 53.862 1.00 14.69 C ATOM 1929 H ALA A 257 31.068 -1.015 54.301 1.00 0.00 H ATOM 1930 N ALA A 258 33.010 1.097 52.491 1.00 12.99 N ATOM 1931 CA ALA A 258 34.085 1.764 51.768 1.00 13.26 C ATOM 1932 C ALA A 258 34.070 1.383 50.292 1.00 12.48 C ATOM 1933 O ALA A 258 34.313 2.229 49.421 1.00 12.65 O ATOM 1934 CB ALA A 258 35.431 1.415 52.396 1.00 13.55 C ATOM 1935 H ALA A 258 33.226 0.465 53.289 1.00 0.00 H ATOM 1936 N ILE A 259 33.771 0.115 49.993 1.00 12.55 N ATOM 1937 CA ILE A 259 33.783 -0.347 48.609 1.00 12.66 C ATOM 1938 C ILE A 259 32.600 0.229 47.850 1.00 12.27 C ATOM 1939 O ILE A 259 32.755 0.773 46.751 1.00 12.40 O ATOM 1940 CB ILE A 259 33.782 -1.882 48.538 1.00 13.67 C ATOM 1941 CG1 ILE A 259 34.963 -2.476 49.304 1.00 13.74 C ATOM 1942 CG2 ILE A 259 33.801 -2.342 47.086 1.00 14.55 C ATOM 1943 CD1 ILE A 259 34.836 -3.967 49.500 1.00 15.09 C ATOM 1944 H ILE A 259 33.527 -0.549 50.755 1.00 0.00 H ATOM 1945 N THR A 260 31.393 0.089 48.411 1.00 12.73 N ATOM 1946 CA THR A 260 30.214 0.611 47.732 1.00 13.08 C ATOM 1947 C THR A 260 30.309 2.120 47.559 1.00 12.86 C ATOM 1948 O THR A 260 29.964 2.653 46.497 1.00 13.21 O ATOM 1949 CB THR A 260 28.933 0.230 48.482 1.00 12.76 C ATOM 1950 OG1 THR A 260 29.054 0.559 49.868 1.00 13.62 O ATOM 1951 CG2 THR A 260 28.624 -1.265 48.346 1.00 14.09 C ATOM 1952 HG1 THR A 260 29.208 1.532 49.963 1.00 0.00 H ATOM 1953 H THR A 260 31.297 -0.391 49.329 1.00 0.00 H ATOM 1954 N HIS A 261 30.792 2.829 48.585 1.00 13.41 N ATOM 1955 CA HIS A 261 30.901 4.282 48.490 1.00 13.74 C ATOM 1956 C HIS A 261 31.946 4.701 47.465 1.00 13.67 C ATOM 1957 O HIS A 261 31.732 5.650 46.701 1.00 14.55 O ATOM 1958 CB HIS A 261 31.206 4.889 49.860 1.00 15.48 C ATOM 1959 CG HIS A 261 31.423 6.371 49.832 1.00 16.71 C ATOM 1960 ND1 HIS A 261 30.438 7.264 49.467 1.00 18.23 N ATOM 1961 CD2 HIS A 261 32.513 7.116 50.132 1.00 18.08 C ATOM 1962 CE1 HIS A 261 30.915 8.494 49.540 1.00 18.21 C ATOM 1963 NE2 HIS A 261 32.171 8.431 49.943 1.00 18.63 N ATOM 1964 H HIS A 261 31.091 2.343 49.454 1.00 0.00 H ATOM 1965 N THR A 262 33.097 4.027 47.450 1.00 12.89 N ATOM 1966 CA THR A 262 34.118 4.346 46.458 1.00 13.61 C ATOM 1967 C THR A 262 33.593 4.118 45.048 1.00 12.74 C ATOM 1968 O THR A 262 33.799 4.950 44.155 1.00 13.90 O ATOM 1969 CB THR A 262 35.374 3.497 46.691 1.00 13.13 C ATOM 1970 OG1 THR A 262 36.000 3.855 47.931 1.00 12.95 O ATOM 1971 CG2 THR A 262 36.377 3.719 45.567 1.00 13.36 C ATOM 1972 HG1 THR A 262 35.366 3.703 48.676 1.00 0.00 H ATOM 1973 H THR A 262 33.267 3.273 48.146 1.00 0.00 H ATOM 1974 N ALA A 263 32.920 2.984 44.832 1.00 12.90 N ATOM 1975 CA ALA A 263 32.384 2.675 43.511 1.00 13.16 C ATOM 1976 C ALA A 263 31.334 3.695 43.102 1.00 14.41 C ATOM 1977 O ALA A 263 31.303 4.137 41.949 1.00 15.42 O ATOM 1978 CB ALA A 263 31.799 1.264 43.497 1.00 13.75 C ATOM 1979 H ALA A 263 32.777 2.314 45.615 1.00 0.00 H ATOM 1980 N ARG A 264 30.467 4.087 44.039 1.00 14.96 N ATOM 1981 CA ARG A 264 29.418 5.047 43.718 1.00 15.42 C ATOM 1982 C ARG A 264 30.004 6.413 43.376 1.00 15.54 C ATOM 1983 O ARG A 264 29.493 7.109 42.491 1.00 17.07 O ATOM 1984 CB ARG A 264 28.428 5.146 44.877 1.00 16.19 C ATOM 1985 CG ARG A 264 27.115 5.776 44.494 1.00 16.78 C ATOM 1986 CD ARG A 264 26.289 4.846 43.620 1.00 17.52 C ATOM 1987 NE ARG A 264 25.012 5.457 43.266 1.00 17.76 N ATOM 1988 CZ ARG A 264 24.595 5.686 42.023 1.00 19.37 C ATOM 1989 NH1 ARG A 264 25.355 5.349 40.988 1.00 20.42 N ATOM 1990 NH2 ARG A 264 23.411 6.250 41.811 1.00 20.04 N ATOM 1991 HE ARG A 264 24.380 5.735 44.044 1.00 0.00 H ATOM 1992 HH12 ARG A 264 25.024 5.530 40.019 1.00 0.00 H ATOM 1993 HH11 ARG A 264 26.281 4.904 41.146 1.00 0.00 H ATOM 1994 HH22 ARG A 264 23.086 6.428 40.839 1.00 0.00 H ATOM 1995 HH21 ARG A 264 22.809 6.513 42.617 1.00 0.00 H ATOM 1996 H ARG A 264 30.541 3.705 45.004 1.00 0.00 H ATOM 1997 N MET A 265 31.079 6.807 44.070 1.00 17.88 N ATOM 1998 CA MET A 265 31.790 8.041 43.741 1.00 19.89 C ATOM 1999 C MET A 265 32.424 7.954 42.359 1.00 20.53 C ATOM 2000 O MET A 265 32.349 8.901 41.566 1.00 21.29 O ATOM 2001 CB MET A 265 32.874 8.286 44.795 1.00 23.74 C ATOM 2002 CG MET A 265 33.192 9.732 45.106 1.00 26.80 C ATOM 2003 SD MET A 265 33.644 9.993 46.839 1.00 27.93 S ATOM 2004 CE MET A 265 34.802 8.661 47.128 1.00 28.37 C ATOM 2005 H MET A 265 31.416 6.222 44.861 1.00 0.00 H ATOM 2006 N ALA A 266 33.068 6.825 42.057 1.00 20.77 N ATOM 2007 CA ALA A 266 33.698 6.642 40.756 1.00 20.97 C ATOM 2008 C ALA A 266 32.681 6.583 39.622 1.00 22.65 C ATOM 2009 O ALA A 266 33.037 6.866 38.474 1.00 23.17 O ATOM 2010 CB ALA A 266 34.574 5.385 40.775 1.00 20.64 C ATOM 2011 H ALA A 266 33.121 6.063 42.762 1.00 0.00 H ATOM 2012 N ASP A 267 31.427 6.223 39.916 1.00 24.44 N ATOM 2013 CA ASP A 267 30.381 6.304 38.904 1.00 27.70 C ATOM 2014 C ASP A 267 30.287 7.711 38.323 1.00 31.47 C ATOM 2015 O ASP A 267 30.013 7.871 37.129 1.00 31.66 O ATOM 2016 CB ASP A 267 29.032 5.901 39.506 1.00 26.95 C ATOM 2017 CG ASP A 267 28.874 4.396 39.674 1.00 26.55 C ATOM 2018 OD1 ASP A 267 29.583 3.617 38.999 1.00 26.55 O ATOM 2019 OD2 ASP A 267 28.026 3.992 40.501 1.00 26.15 O ATOM 2020 H ASP A 267 31.197 5.883 40.872 1.00 0.00 H ATOM 2021 N LYS A 268 30.531 8.739 39.144 1.00 34.93 N ATOM 2022 CA LYS A 268 30.427 10.121 38.682 1.00 38.67 C ATOM 2023 C LYS A 268 31.573 10.520 37.761 1.00 39.98 C ATOM 2024 O LYS A 268 31.459 11.524 37.051 1.00 40.39 O ATOM 2025 CB LYS A 268 30.365 11.080 39.875 1.00 41.07 C ATOM 2026 CG LYS A 268 29.465 10.612 41.014 1.00 43.04 C ATOM 2027 CD LYS A 268 29.345 11.670 42.103 1.00 44.42 C ATOM 2028 CE LYS A 268 29.321 11.045 43.493 1.00 45.40 C ATOM 2029 NZ LYS A 268 29.382 12.070 44.575 1.00 45.86 N ATOM 2030 HZ1 LYS A 268 30.261 12.618 44.483 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 28.564 12.708 44.493 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 29.363 11.597 45.501 1.00 0.00 H ATOM 2033 H LYS A 268 30.800 8.550 40.131 1.00 0.00 H ATOM 2034 N LEU A 269 32.672 9.760 37.756 1.00 40.91 N ATOM 2035 CA LEU A 269 33.795 10.070 36.877 1.00 41.96 C ATOM 2036 C LEU A 269 33.500 9.740 35.422 1.00 43.44 C ATOM 2037 O LEU A 269 34.231 10.196 34.536 1.00 43.75 O ATOM 2038 CB LEU A 269 35.039 9.288 37.305 1.00 41.39 C ATOM 2039 CG LEU A 269 35.915 9.788 38.459 1.00 41.19 C ATOM 2040 CD1 LEU A 269 37.080 8.833 38.689 1.00 41.29 C ATOM 2041 CD2 LEU A 269 36.417 11.198 38.184 1.00 41.43 C ATOM 2042 H LEU A 269 32.728 8.936 38.388 1.00 0.00 H ATOM 2043 N ARG A 270 32.464 8.949 35.157 1.00 44.68 N ATOM 2044 CA ARG A 270 32.145 8.537 33.797 1.00 45.93 C ATOM 2045 C ARG A 270 31.309 9.591 33.078 1.00 46.10 C ATOM 2046 O ARG A 270 31.094 9.505 31.869 1.00 46.28 O ATOM 2047 CB ARG A 270 31.417 7.191 33.800 1.00 47.01 C ATOM 2048 CG ARG A 270 32.163 6.079 34.520 1.00 48.09 C ATOM 2049 CD ARG A 270 31.619 4.717 34.127 1.00 48.99 C ATOM 2050 NE ARG A 270 31.122 3.968 35.278 1.00 49.54 N ATOM 2051 CZ ARG A 270 29.836 3.837 35.586 1.00 49.85 C ATOM 2052 NH1 ARG A 270 28.907 4.408 34.829 1.00 50.22 N ATOM 2053 NH2 ARG A 270 29.477 3.134 36.652 1.00 49.59 N ATOM 2054 OXT ARG A 270 30.831 10.550 33.684 1.00 46.04 O ATOM 2055 HE ARG A 270 31.820 3.507 35.897 1.00 0.00 H ATOM 2056 HH12 ARG A 270 27.901 4.304 35.073 1.00 0.00 H ATOM 2057 HH11 ARG A 270 29.185 4.960 33.992 1.00 0.00 H ATOM 2058 HH22 ARG A 270 28.470 3.032 36.893 1.00 0.00 H ATOM 2059 HH21 ARG A 270 30.202 2.685 37.247 1.00 0.00 H ATOM 2060 H ARG A 270 31.867 8.616 35.941 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 49.108 5.997 44.135 1.00 9.99 ZN HETATM 2063 ZN ZN A 2 47.426 6.944 47.772 1.00 13.40 ZN HETATM 2064 O HOH 3 49.358 -18.985 36.074 1.00 43.82 O HETATM 2065 O HOH 4 65.467 2.499 62.024 1.00 49.97 O HETATM 2066 O HOH 5 65.956 -2.011 60.146 1.00 16.96 O HETATM 2067 O HOH 6 47.673 -2.196 68.167 1.00 29.83 O HETATM 2068 O HOH 7 46.667 15.994 54.502 1.00 26.24 O HETATM 2069 O HOH 8 66.004 -4.143 62.291 1.00 23.28 O HETATM 2070 O HOH 9 60.969 8.080 48.851 1.00 43.68 O HETATM 2071 O HOH 10 51.067 -20.852 56.046 1.00 40.53 O HETATM 2072 O HOH 11 49.129 -17.460 48.737 1.00 28.86 O HETATM 2073 O HOH 12 60.004 -18.268 46.956 1.00 28.18 O HETATM 2074 O HOH 13 48.668 -16.060 58.497 1.00 30.68 O HETATM 2075 O HOH 14 52.928 8.222 35.213 1.00 41.05 O HETATM 2076 O HOH 15 67.664 -1.871 45.282 1.00 19.38 O HETATM 2077 O HOH 16 33.505 -10.850 59.338 1.00 41.21 O HETATM 2078 O HOH 17 48.694 4.859 71.870 1.00 32.06 O HETATM 2079 O HOH 18 69.358 -7.308 63.752 1.00 46.33 O HETATM 2080 O HOH 19 66.483 -8.778 48.470 1.00 30.06 O HETATM 2081 O HOH 20 53.262 9.824 38.151 1.00 15.93 O HETATM 2082 O HOH 21 37.547 -8.224 62.536 1.00 43.09 O HETATM 2083 O HOH 22 40.551 7.003 52.053 1.00 27.68 O HETATM 2084 O HOH 23 53.634 18.979 56.523 1.00 37.14 O HETATM 2085 O HOH 24 60.339 -15.616 43.535 1.00 20.53 O HETATM 2086 O HOH 25 46.431 -11.966 31.475 1.00 41.05 O HETATM 2087 O HOH 26 47.133 14.629 56.970 1.00 19.81 O HETATM 2088 O HOH 27 67.339 3.907 54.901 1.00 35.56 O HETATM 2089 O HOH 28 27.881 2.783 50.726 1.00 25.90 O HETATM 2090 O HOH 29 48.499 1.922 61.643 1.00 12.10 O HETATM 2091 O HOH 30 40.251 14.013 43.404 1.00 34.34 O HETATM 2092 O HOH 31 59.105 9.887 59.012 1.00 23.40 O HETATM 2093 O HOH 32 31.332 1.832 57.523 1.00 45.30 O HETATM 2094 O HOH 33 48.459 4.430 35.751 1.00 18.36 O HETATM 2095 O HOH 34 42.392 7.251 43.581 1.00 18.01 O HETATM 2096 O HOH 35 44.381 1.705 32.078 1.00 32.30 O HETATM 2097 O HOH 36 39.009 1.436 61.917 1.00 33.04 O HETATM 2098 O HOH 37 37.963 4.812 57.772 1.00 23.24 O HETATM 2099 O HOH 38 61.305 -18.875 61.656 1.00 32.38 O HETATM 2100 O HOH 39 58.602 -15.979 47.761 1.00 13.96 O HETATM 2101 O HOH 40 49.436 -18.465 58.996 1.00 16.34 O HETATM 2102 O HOH 41 64.302 -12.509 54.062 1.00 17.40 O HETATM 2103 O HOH 42 62.023 -1.670 35.371 1.00 20.76 O HETATM 2104 O HOH 43 60.893 -8.905 37.448 1.00 26.68 O HETATM 2105 O HOH 44 56.314 1.997 70.621 1.00 35.32 O HETATM 2106 O HOH 45 61.825 3.076 45.421 1.00 11.60 O HETATM 2107 O HOH 46 42.962 1.086 56.449 1.00 11.41 O HETATM 2108 O HOH 47 37.595 -4.848 36.276 1.00 27.49 O HETATM 2109 O HOH 48 29.744 -9.889 51.138 1.00 41.94 O HETATM 2110 O HOH 49 42.765 11.889 35.885 1.00 42.02 O HETATM 2111 O HOH 50 38.473 -14.506 48.012 1.00 45.82 O HETATM 2112 O HOH 51 36.013 9.282 32.690 1.00 35.86 O HETATM 2113 O HOH 52 52.308 2.678 52.784 1.00 9.63 O HETATM 2114 O HOH 53 65.383 -3.561 41.492 1.00 23.53 O HETATM 2115 O HOH 54 63.175 -11.883 39.168 1.00 46.33 O HETATM 2116 O HOH 55 48.348 -14.722 46.051 1.00 17.49 O HETATM 2117 O HOH 56 62.004 -6.396 38.254 1.00 35.54 O HETATM 2118 O HOH 57 58.314 4.906 29.862 1.00 30.71 O HETATM 2119 O HOH 58 69.129 -7.850 48.429 1.00 47.65 O HETATM 2120 O HOH 59 47.882 -16.855 65.916 1.00 25.95 O HETATM 2121 O HOH 60 57.509 -13.433 40.345 1.00 15.47 O HETATM 2122 O HOH 61 50.854 -7.121 34.521 1.00 30.02 O HETATM 2123 O HOH 62 57.172 1.957 30.941 1.00 32.41 O HETATM 2124 O HOH 63 52.198 -3.955 42.082 1.00 8.47 O HETATM 2125 O HOH 64 45.719 4.980 34.131 1.00 31.52 O HETATM 2126 O HOH 65 59.722 3.360 33.681 1.00 14.04 O HETATM 2127 O HOH 66 48.561 14.281 40.402 1.00 26.30 O HETATM 2128 O HOH 67 64.771 -12.158 45.631 1.00 43.35 O HETATM 2129 O HOH 68 47.610 0.474 46.005 1.00 10.14 O HETATM 2130 O HOH 69 63.987 -8.880 69.005 1.00 34.67 O HETATM 2131 O HOH 70 64.352 -10.807 64.090 1.00 39.58 O HETATM 2132 O HOH 71 54.797 8.776 43.803 1.00 15.35 O HETATM 2133 O HOH 72 67.210 -10.445 63.548 1.00 40.21 O HETATM 2134 O HOH 73 44.072 -15.784 31.654 1.00 30.12 O HETATM 2135 O HOH 74 51.011 -2.629 67.728 1.00 46.95 O HETATM 2136 O HOH 75 45.434 9.405 34.038 1.00 45.79 O HETATM 2137 O HOH 76 62.081 9.539 56.048 1.00 15.22 O HETATM 2138 O HOH 77 62.345 5.791 45.206 1.00 15.16 O HETATM 2139 O HOH 78 53.263 3.073 55.516 1.00 8.76 O HETATM 2140 O HOH 79 64.744 2.511 39.188 1.00 18.34 O HETATM 2141 O HOH 80 44.527 -3.279 32.420 1.00 38.40 O HETATM 2142 O HOH 81 56.507 9.416 41.667 1.00 12.87 O HETATM 2143 O HOH 82 45.463 -0.915 44.977 1.00 10.56 O HETATM 2144 O HOH 83 62.492 -9.568 62.365 1.00 14.41 O HETATM 2145 O HOH 84 44.368 -9.260 34.478 1.00 25.41 O HETATM 2146 O HOH 85 40.135 10.730 49.265 1.00 44.78 O HETATM 2147 O HOH 86 56.374 8.392 59.145 1.00 13.37 O HETATM 2148 O HOH 87 26.054 2.200 39.704 1.00 34.73 O HETATM 2149 O HOH 88 46.048 -15.546 58.431 1.00 38.56 O HETATM 2150 O HOH 89 31.675 -12.315 44.700 1.00 38.40 O HETATM 2151 O HOH 90 55.521 5.531 71.759 1.00 27.86 O HETATM 2152 O HOH 91 69.230 3.983 48.508 1.00 30.12 O HETATM 2153 O HOH 92 63.001 -7.319 60.896 1.00 13.09 O HETATM 2154 O HOH 93 63.434 -12.971 51.445 1.00 16.38 O HETATM 2155 O HOH 94 33.173 -4.977 38.245 1.00 19.93 O HETATM 2156 O HOH 95 31.894 -4.821 56.447 1.00 20.94 O HETATM 2157 O HOH 96 31.184 -5.832 44.208 1.00 40.57 O HETATM 2158 O HOH 97 27.036 8.299 41.856 1.00 36.85 O HETATM 2159 O HOH 98 57.506 -13.060 36.432 1.00 24.93 O HETATM 2160 O HOH 99 58.254 12.403 56.517 1.00 17.66 O HETATM 2161 O HOH 100 66.468 -1.818 55.776 1.00 14.98 O HETATM 2162 O HOH 101 55.639 -20.438 58.668 1.00 14.61 O HETATM 2163 O HOH 102 44.407 -2.585 67.846 1.00 41.54 O HETATM 2164 O HOH 103 68.110 -12.885 52.610 1.00 32.09 O HETATM 2165 O HOH 104 54.255 -15.023 33.945 1.00 21.99 O HETATM 2166 O HOH 105 67.938 -8.008 57.401 1.00 18.06 O HETATM 2167 O HOH 106 28.183 1.229 44.843 1.00 16.06 O HETATM 2168 O HOH 107 34.505 4.856 36.897 1.00 22.24 O HETATM 2169 O HOH 108 65.629 4.252 59.704 1.00 20.96 O HETATM 2170 O HOH 109 41.165 -8.781 31.725 1.00 47.07 O HETATM 2171 O HOH 110 36.085 -9.757 40.815 1.00 25.96 O HETATM 2172 O HOH 111 63.765 6.996 50.492 1.00 22.37 O HETATM 2173 O HOH 112 71.556 -6.654 55.587 1.00 43.74 O HETATM 2174 O HOH 113 52.412 -20.691 54.239 1.00 25.48 O HETATM 2175 O HOH 114 54.480 8.078 65.631 1.00 15.46 O HETATM 2176 O HOH 115 61.142 -13.717 39.157 1.00 41.05 O HETATM 2177 O HOH 116 28.837 -1.775 55.796 1.00 25.95 O HETATM 2178 O HOH 117 28.896 -1.365 44.561 1.00 25.05 O HETATM 2179 O HOH 118 36.533 -13.296 50.635 1.00 35.19 O HETATM 2180 O HOH 119 30.444 -0.878 37.747 1.00 29.70 O HETATM 2181 O HOH 120 46.653 8.393 40.379 1.00 13.80 O HETATM 2182 O HOH 121 49.003 7.262 69.249 1.00 49.67 O HETATM 2183 O HOH 122 65.918 -10.759 55.490 1.00 17.52 O HETATM 2184 O HOH 123 33.779 1.621 35.479 1.00 20.50 O HETATM 2185 O HOH 124 45.760 -16.726 42.460 1.00 30.01 O HETATM 2186 O HOH 125 49.669 -9.681 33.973 1.00 22.11 O HETATM 2187 O HOH 126 40.516 7.462 58.753 1.00 29.76 O HETATM 2188 O HOH 127 64.094 -14.993 64.926 1.00 46.53 O HETATM 2189 O HOH 128 57.842 14.742 55.558 1.00 23.24 O HETATM 2190 O HOH 129 40.509 -5.319 64.794 1.00 47.29 O HETATM 2191 O HOH 130 50.876 -19.782 37.600 1.00 19.70 O HETATM 2192 O HOH 131 58.308 -5.631 34.255 1.00 38.50 O HETATM 2193 O HOH 132 31.143 0.921 35.853 1.00 26.46 O HETATM 2194 O HOH 133 42.556 5.436 51.084 1.00 23.75 O HETATM 2195 O HOH 134 48.567 -11.400 68.660 1.00 37.81 O HETATM 2196 O HOH 135 48.397 -4.147 35.375 1.00 21.59 O HETATM 2197 O HOH 136 41.006 -0.513 63.111 1.00 40.35 O HETATM 2198 O HOH 137 65.020 7.629 53.543 1.00 15.99 O HETATM 2199 O HOH 138 50.666 -13.777 66.479 1.00 33.65 O HETATM 2200 O HOH 139 64.366 6.754 38.774 1.00 38.35 O HETATM 2201 O HOH 140 43.314 5.050 48.923 1.00 42.05 O HETATM 2202 O HOH 141 37.863 -2.384 35.146 1.00 26.53 O HETATM 2203 O HOH 142 52.749 -20.315 50.384 1.00 22.98 O HETATM 2204 O HOH 143 40.136 -11.418 61.099 1.00 31.06 O HETATM 2205 O HOH 144 63.772 2.778 47.380 1.00 10.55 O HETATM 2206 O HOH 145 45.785 5.807 58.616 1.00 29.58 O HETATM 2207 O HOH 146 46.777 11.872 56.343 1.00 25.78 O HETATM 2208 O HOH 147 36.895 -14.275 41.332 1.00 44.99 O HETATM 2209 O HOH 148 52.212 21.044 53.538 1.00 37.54 O HETATM 2210 O HOH 149 51.064 -5.414 68.600 1.00 35.88 O HETATM 2211 O HOH 150 43.907 14.457 41.155 1.00 24.95 O HETATM 2212 O HOH 151 50.240 -17.079 45.455 1.00 34.63 O HETATM 2213 O HOH 152 59.799 -12.004 37.721 1.00 21.84 O HETATM 2214 O HOH 153 50.006 10.895 40.141 1.00 22.89 O HETATM 2215 O HOH 154 29.662 -6.011 49.315 1.00 32.72 O HETATM 2216 O HOH 155 64.172 -10.380 57.751 1.00 13.73 O HETATM 2217 O HOH 156 64.778 -0.231 39.291 1.00 14.38 O HETATM 2218 O HOH 157 42.486 10.494 53.307 1.00 43.22 O HETATM 2219 O HOH 158 60.962 6.964 62.689 1.00 24.75 O HETATM 2220 O HOH 159 59.784 12.524 48.079 1.00 37.80 O HETATM 2221 O HOH 160 26.488 12.644 44.857 1.00 25.92 O HETATM 2222 O HOH 161 42.060 -2.694 65.000 1.00 51.00 O HETATM 2223 O HOH 162 36.356 -14.870 45.054 1.00 45.51 O HETATM 2224 O HOH 163 44.340 3.656 61.236 1.00 28.42 O HETATM 2225 O HOH 164 60.698 11.758 50.064 1.00 31.08 O HETATM 2226 O HOH 165 40.195 -9.251 62.790 1.00 30.62 O HETATM 2227 O HOH 166 37.537 12.606 43.087 1.00 42.63 O HETATM 2228 O HOH 167 51.783 -19.146 47.613 1.00 24.83 O HETATM 2229 O HOH 168 46.604 3.586 62.921 1.00 24.99 O HETATM 2230 O HOH 169 53.137 -6.084 69.053 1.00 47.96 O HETATM 2231 O HOH 170 59.467 -18.076 52.052 1.00 43.43 O HETATM 2232 O HOH 171 48.163 9.213 73.019 1.00 42.73 O HETATM 2233 O HOH 172 35.189 -6.627 60.641 1.00 43.84 O HETATM 2234 O HOH 173 36.487 3.741 59.713 1.00 35.68 O HETATM 2235 O HOH 174 54.412 -4.944 32.033 1.00 51.80 O HETATM 2236 O HOH 175 36.927 -11.201 36.952 1.00 58.00 O HETATM 2237 O HOH 176 39.688 6.675 31.456 1.00 45.03 O HETATM 2238 O HOH 177 63.758 1.416 69.115 1.00 54.35 O HETATM 2239 O HOH 178 41.295 -16.012 33.701 1.00 29.29 O HETATM 2240 O HOH 179 39.696 -12.037 53.472 1.00 39.20 O HETATM 2241 O HOH 180 47.875 21.892 46.656 1.00 43.22 O HETATM 2242 O HOH 181 51.367 -19.546 45.200 1.00 36.97 O HETATM 2243 O HOH 182 43.052 9.168 49.109 1.00 38.81 O HETATM 2244 O HOH 183 52.867 -12.827 66.845 1.00 43.42 O HETATM 2245 O HOH 184 59.562 -18.396 53.797 1.00 28.39 O HETATM 2246 O HOH 185 58.604 5.901 69.906 1.00 35.02 O HETATM 2247 O HOH 186 29.367 3.661 56.648 1.00 53.71 O HETATM 2248 O HOH 187 60.219 1.014 31.139 1.00 49.52 O HETATM 2249 O HOH 188 41.627 8.089 32.496 1.00 38.29 O HETATM 2250 O HOH 189 45.785 -17.617 32.789 1.00 49.96 O HETATM 2251 O HOH 190 59.914 -16.026 50.246 1.00 27.23 O HETATM 2252 O HOH 191 35.147 -3.667 59.900 1.00 38.80 O HETATM 2253 O HOH 192 55.139 11.136 45.843 1.00 41.79 O HETATM 2254 O HOH 193 39.490 3.996 63.348 1.00 50.01 O HETATM 2255 O HOH 194 65.796 -11.965 43.738 1.00 46.80 O HETATM 2256 O HOH 195 43.315 -6.376 67.359 1.00 43.69 O HETATM 2257 O HOH 196 64.407 -13.193 62.850 1.00 39.99 O HETATM 2258 O HOH 197 50.951 12.278 36.628 1.00 44.04 O HETATM 2259 O HOH 198 67.802 3.805 58.114 1.00 40.27 O HETATM 2260 O HOH 199 61.891 -0.342 32.795 1.00 36.03 O HETATM 2261 O HOH 200 43.325 -8.932 67.163 1.00 40.70 O HETATM 2262 O HOH 201 53.853 10.299 40.778 1.00 19.21 O HETATM 2263 O HOH 202 63.382 6.152 33.687 1.00 37.90 O HETATM 2264 O HOH 203 36.796 -14.597 58.411 1.00 46.21 O HETATM 2265 O HOH 204 32.436 -6.895 39.875 1.00 27.26 O HETATM 2266 O HOH 205 67.941 -0.036 60.397 1.00 41.48 O HETATM 2267 O HOH 206 47.981 -6.413 35.352 1.00 42.44 O HETATM 2268 O HOH 207 61.193 7.358 46.942 1.00 30.68 O HETATM 2269 O HOH 208 61.820 3.816 67.593 1.00 43.46 O HETATM 2270 O HOH 209 70.930 -9.011 53.828 1.00 34.98 O HETATM 2271 O HOH 210 41.141 -13.469 51.327 1.00 37.90 O HETATM 2272 O HOH 211 30.533 -8.287 45.603 1.00 39.93 O HETATM 2273 O HOH 212 42.125 -13.423 61.982 1.00 35.50 O HETATM 2274 O HOH 213 34.254 0.039 33.246 1.00 25.50 O HETATM 2275 O HOH 214 35.612 -12.421 41.393 1.00 48.00 O HETATM 2276 O HOH 215 36.590 -3.079 30.844 1.00 56.88 O HETATM 2277 O HOH 216 25.873 -0.503 40.182 1.00 20.26 O HETATM 2278 O HOH 217 26.006 -2.190 42.300 1.00 24.40 O HETATM 2279 O HOH 218 46.210 15.340 39.047 1.00 37.01 O HETATM 2280 O HOH 219 36.407 -1.851 60.459 1.00 47.09 O HETATM 2281 O HOH 220 40.548 -18.293 33.898 1.00 50.76 O HETATM 2282 O HOH 221 45.004 -19.051 34.255 1.00 42.24 O HETATM 2283 O HOH 222 47.017 -8.687 33.169 1.00 43.23 O HETATM 2284 O HOH 223 42.299 -18.553 35.352 1.00 40.50 O HETATM 2285 O HOH 224 68.182 -0.737 64.813 1.00 46.95 O HETATM 2286 O HOH 225 26.242 8.672 39.460 1.00 45.32 O HETATM 2287 O HOH 226 61.716 6.904 60.124 1.00 34.80 O HETATM 2288 O HOH 227 45.589 8.059 59.274 1.00 39.48 O HETATM 2289 O HOH 228 52.230 -5.553 32.232 1.00 43.16 O HETATM 2290 O HOH 229 46.150 -17.645 62.462 1.00 48.04 O HETATM 2291 O HOH 230 27.381 -1.729 38.058 1.00 52.86 O HETATM 2292 O HOH 231 66.518 -6.032 42.831 1.00 44.48 O HETATM 2293 O HOH 232 62.244 8.788 64.176 1.00 41.35 O HETATM 2294 O HOH 233 46.211 -0.931 31.701 1.00 51.77 O HETATM 2295 O HOH 234 27.935 -4.371 41.705 1.00 54.46 O HETATM 2296 O HOH 235 65.651 -6.568 61.213 1.00 15.74 O HETATM 2297 O HOH 236 60.668 11.795 55.200 1.00 17.93 O HETATM 2298 O HOH 237 62.015 3.980 32.319 1.00 25.55 O HETATM 2299 O HOH 238 58.259 -20.769 58.145 1.00 26.88 O HETATM 2300 O HOH 239 64.920 -10.931 62.057 1.00 54.91 O HETATM 2301 O HOH 240 35.079 -5.979 36.286 1.00 38.93 O HETATM 2302 O HOH 241 65.621 -5.355 39.453 1.00 46.89 O HETATM 2303 O HOH 242 65.660 -12.810 40.681 1.00 41.73 O HETATM 2304 O HOH 243 61.968 -16.261 55.658 1.00 50.84 O HETATM 2305 O HOH 244 61.794 -18.379 57.628 1.00 39.03 O HETATM 2306 O HOH 245 50.008 14.195 35.622 1.00 45.60 O HETATM 2307 O HOH 246 40.846 9.619 51.233 1.00 32.11 O HETATM 2308 O HOH 247 68.088 -12.367 55.950 1.00 45.57 O HETATM 2309 O HOH 248 61.684 9.301 58.779 1.00 26.89 O HETATM 2310 O HOH 249 62.724 -19.650 59.594 1.00 50.02 O HETATM 2311 O HOH 250 30.609 -3.266 45.897 1.00 49.00 O HETATM 2312 O HOH 251 46.940 -21.084 37.413 1.00 41.12 O HETATM 2313 O HOH 252 58.708 1.245 71.240 1.00 40.00 O HETATM 2314 O HOH 253 50.449 13.386 38.951 1.00 37.32 O HETATM 2315 O HOH 254 47.244 -19.773 57.671 1.00 46.98 O HETATM 2316 O HOH 255 30.216 -7.596 41.211 1.00 50.04 O HETATM 2317 O HOH 256 64.643 -15.028 55.095 1.00 38.81 O HETATM 2318 O HOH 257 44.876 11.370 50.859 1.00 50.08 O HETATM 2319 O HOH 258 41.405 -5.111 33.413 1.00 43.88 O HETATM 2320 O HOH 259 26.304 1.841 53.030 1.00 30.01 O HETATM 2321 O HOH 260 45.430 14.984 36.356 1.00 44.63 O HETATM 2322 O HOH 261 65.527 -6.380 69.226 1.00 46.80 O HETATM 2323 O HOH 262 35.772 -2.342 33.310 1.00 35.13 O HETATM 2324 O HOH 263 25.405 11.015 46.288 1.00 43.04 O HETATM 2325 O HOH 264 60.103 -21.610 59.702 1.00 41.16 O HETATM 2326 O HOH 265 40.340 -11.003 64.833 1.00 46.47 O HETATM 2327 O HOH 266 30.948 -3.490 37.395 1.00 32.61 O HETATM 2328 O HOH 267 70.163 -6.540 57.813 1.00 41.17 O HETATM 2329 O HOH 268 65.748 -11.632 59.604 1.00 23.27 O HETATM 2330 O HOH 269 69.647 6.703 48.430 1.00 30.28 O HETATM 2331 O HOH 270 57.175 -17.271 36.208 1.00 49.65 O HETATM 2332 O HOH 271 63.792 -7.685 58.233 1.00 13.23 O HETATM 2333 O HOH 272 56.606 -14.771 34.551 1.00 37.81 O HETATM 2334 O HOH 273 59.614 16.258 54.884 1.00 46.31 O HETATM 2335 O HOH 274 69.482 -4.251 61.908 1.00 44.86 O HETATM 2336 O HOH 275 54.993 -13.873 31.577 1.00 33.04 O HETATM 2337 O HOH 276 59.870 14.990 53.525 1.00 43.43 O HETATM 2338 O HOH 277 66.185 -6.175 58.530 1.00 15.98 O HETATM 2339 O HOH 278 33.882 -9.171 39.189 1.00 32.72 O HETATM 2340 O HOH 279 67.568 -8.395 61.860 1.00 33.18 O HETATM 2341 O HOH 280 39.474 -4.295 33.462 1.00 46.67 O HETATM 2342 O HOH 281 54.994 -7.141 31.328 1.00 57.69 O HETATM 2343 O HOH 282 69.587 -3.677 57.786 1.00 37.84 O HETATM 2344 O HOH 283 45.794 -16.235 67.951 1.00 30.22 O HETATM 2345 O HOH 284 66.167 4.002 37.499 1.00 42.38 O HETATM 2346 O HOH 285 64.437 -1.346 36.783 1.00 19.31 O HETATM 2347 O HOH 286 51.316 -10.600 31.682 1.00 49.75 O HETATM 2348 O HOH 287 29.369 -5.498 40.948 1.00 47.02 O HETATM 2349 O HOH 288 26.690 0.113 55.320 1.00 21.76 O HETATM 2350 O HOH 289 66.862 -3.506 57.986 1.00 15.32 O HETATM 2351 O HOH 290 45.372 -20.317 38.814 1.00 44.85 O HETATM 2352 O HOH 291 40.573 -13.677 65.235 1.00 46.10 O HETATM 2353 O HOH 292 28.726 -4.681 38.837 1.00 47.24 O HETATM 2354 O HOH 293 68.846 1.860 57.270 1.00 41.75 O HETATM 2355 O HOH 294 45.454 -13.979 69.357 1.00 47.23 O HETATM 2356 O HOH 295 68.025 -9.904 59.514 1.00 31.45 O HETATM 2357 O HOH 296 49.502 15.663 37.309 1.00 41.90 O HETATM 2358 O HOH 297 61.352 12.586 52.611 1.00 22.62 O HETATM 2359 O HOH 298 54.371 -11.443 31.045 1.00 44.74 O HETATM 2360 O HOH 299 63.863 2.046 32.302 1.00 43.69 O HETATM 2361 O HOH 300 66.925 -13.999 58.620 1.00 48.89 O HETATM 2362 O HOH 301 34.024 -4.617 33.919 1.00 44.67 O HETATM 2363 O HOH 302 48.513 21.774 44.001 1.00 51.42 O HETATM 2364 O HOH 303 28.202 -5.378 46.173 1.00 40.59 O HETATM 2365 O HOH 304 53.534 -8.827 31.622 1.00 48.00 O HETATM 2366 O HOH 305 37.262 10.465 59.984 1.00 48.43 O HETATM 2367 O HOH 306 30.902 -3.592 34.655 1.00 50.09 O HETATM 2368 O HOH 307 67.022 -14.864 39.728 1.00 47.15 O HETATM 2369 O HOH 308 66.057 0.297 35.136 1.00 45.10 O HETATM 2370 O HOH 309 65.249 -18.060 58.276 1.00 46.92 O HETATM 2371 O HOH 310 43.393 -17.064 66.848 1.00 48.70 O HETATM 2372 O HOH 311 48.327 -23.600 37.530 1.00 41.79 O HETATM 2373 O HOH 312 70.291 -11.449 59.455 1.00 44.44 O HETATM 2374 O HOH 313 70.074 8.444 46.453 1.00 48.19 O HETATM 2375 O HOH 314 26.571 -6.388 44.841 1.00 55.14 O HETATM 2376 O HOH 315 47.618 -25.481 35.797 1.00 22.30 O HETATM 2377 C01 T A 6 49.878 14.896 44.656 1.00 0.05 C HETATM 2378 N02 T A 6 50.073 13.470 45.002 1.00 -0.22 N HETATM 2379 C03 T A 6 50.788 12.711 44.226 1.00 0.19 C HETATM 2380 C05 T A 6 50.968 11.344 44.599 1.00 0.00 C HETATM 2381 C06 T A 6 50.440 10.843 45.786 1.00 -0.01 C HETATM 2382 C07 T A 6 50.632 9.392 46.269 1.00 0.06 C HETATM 2383 P08 T A 6 49.162 8.354 45.870 1.00 0.07 P HETATM 2384 O09 T A 6 49.658 6.897 45.690 1.00 -0.56 O HETATM 2385 O10 T A 6 48.519 8.746 44.608 1.00 -0.56 O HETATM 2386 O11 T A 6 48.245 8.405 47.038 1.00 -0.56 O HETATM 2387 H5 T A 6 50.784 9.394 47.358 1.00 0.07 H HETATM 2388 H6 T A 6 51.517 8.964 45.776 1.00 0.07 H HETATM 2389 C12 T A 6 49.717 11.747 46.565 1.00 0.02 C HETATM 2390 C13 T A 6 49.197 11.323 47.741 1.00 -0.06 C HETATM 2391 C14 T A 6 48.455 12.153 48.559 1.00 -0.07 C HETATM 2392 C15 T A 6 48.311 13.466 48.175 1.00 -0.07 C HETATM 2393 C16 T A 6 48.846 13.922 46.985 1.00 -0.03 C HETATM 2394 C17 T A 6 49.569 13.085 46.162 1.00 0.09 C HETATM 2395 H10 T A 6 48.695 14.955 46.694 1.00 0.05 H HETATM 2396 H9 T A 6 47.770 14.153 48.815 1.00 0.06 H HETATM 2397 H8 T A 6 48.002 11.783 49.471 1.00 0.05 H HETATM 2398 H7 T A 6 49.368 10.299 48.051 1.00 0.06 H HETATM 2399 H4 T A 6 51.529 10.681 43.942 1.00 0.04 H HETATM 2400 O04 T A 6 51.206 13.145 43.223 1.00 -0.41 O HETATM 2401 H1 T A 6 50.335 15.101 43.677 1.00 0.06 H HETATM 2402 H2 T A 6 50.352 15.527 45.422 1.00 0.06 H HETATM 2403 H3 T A 6 48.802 15.119 44.612 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 785 783 2063 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 785 1494 1867 CONECT 2377 2378 2401 2402 2403 CONECT 2378 2377 2379 2394 CONECT 2379 2378 2380 2400 CONECT 2380 2379 2381 2399 CONECT 2381 2380 2382 2389 CONECT 2382 2381 2383 2387 2388 CONECT 2383 2382 2384 2385 2386 CONECT 2384 2383 CONECT 2385 2383 CONECT 2386 2383 CONECT 2387 2382 CONECT 2388 2382 CONECT 2389 2381 2390 2394 CONECT 2390 2389 2391 2398 CONECT 2391 2390 2392 2397 CONECT 2392 2391 2393 2396 CONECT 2393 2392 2394 2395 CONECT 2394 2378 2389 2393 CONECT 2395 2393 CONECT 2396 2392 CONECT 2397 2391 CONECT 2398 2390 CONECT 2399 2380 CONECT 2400 2379 CONECT 2401 2377 CONECT 2402 2377 CONECT 2403 2377 MASTER 0 0 0 0 0 0 0 0 2402 1 39 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6d1i
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%
6d1k
RCSB PDB
PDBbind
233aa, >6D1K_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6d1i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
T6Z
EC.Number
E.C.3.5.2.6
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Ki=81uM
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
1
H
1
3
NO
4
P
Molecular Weight
254.199
Exact Mass
254.058
No. of atoms
30
No. of bonds
31
Polar Surface Area
96.28
LOGP Value
-1.12 (
Computed with XLOGP3
)
0.78 (
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: 5
No. of Rings: 2
Canonical SMILES
Cn1c(=O)cc(c2c1cccc2)CP(O)(O)O
InChI String
InChI=1S/C11H14NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6,14-17H,7H2,1H3
Links to External Databases
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PDBsum
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Pubchem
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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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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
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