Browse entries in the PDBbind-CN Database
HEADER 5H8X_COMPLEX COMPND 5H8X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 MET LEU THR PRO GLY ASN PRO LYS TRP GLU ARG THR ASN SEQRES 2 A 163 LEU THR TYR ARG ILE ARG ASN TYR THR PRO GLN LEU SER SEQRES 3 A 163 GLU ALA GLU VAL GLU ARG ALA ILE LYS ASP ALA PHE GLU SEQRES 4 A 163 LEU TRP SER VAL ALA SER PRO LEU ILE PHE THR ARG ILE SEQRES 5 A 163 SER GLN GLY GLU ALA ASP ILE ASN ILE ALA PHE TYR GLN SEQRES 6 A 163 ARG ASP HIS GLY ASP ASN SER PRO PHE ASP GLY PRO ASN SEQRES 7 A 163 GLY ILE LEU ALA HIS ALA PHE GLN PRO GLY GLN GLY ILE SEQRES 8 A 163 GLY GLY ASP ALA HIS PHE ASP ALA GLU GLU THR TRP THR SEQRES 9 A 163 ASN THR SER ALA ASN TYR ASN LEU PHE LEU VAL ALA ALA SEQRES 10 A 163 HIS GLU PHE GLY HIS SER LEU GLY LEU ALA HIS SER SER SEQRES 11 A 163 ASP PRO GLY ALA LEU MET TYR PRO ASN TYR ALA PHE ARG SEQRES 12 A 163 GLU THR SER ASN TYR SER LEU PRO GLN ASP ASP ILE ASP SEQRES 13 A 163 GLY ILE GLN ALA ILE TYR GLY HET CA A 1 1 HET CA A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET UNN A 329 39 ATOM 1 N MET A 80 -5.206 -18.972 -2.081 1.00 42.97 N ATOM 2 CA MET A 80 -4.030 -19.285 -1.279 1.00 42.79 C ATOM 3 C MET A 80 -4.400 -20.290 -0.192 1.00 44.53 C ATOM 4 O MET A 80 -4.408 -21.497 -0.419 1.00 42.99 O ATOM 5 CB MET A 80 -3.453 -18.013 -0.654 1.00 44.79 C ATOM 6 CG MET A 80 -2.764 -17.088 -1.641 1.00 44.17 C ATOM 7 SD MET A 80 -3.086 -15.350 -1.290 1.00 61.27 S ATOM 8 CE MET A 80 -3.327 -14.684 -2.937 1.00 49.17 C ATOM 9 HN3 MET A 80 -5.942 -18.564 -1.470 1.00 0.00 H ATOM 10 HN2 MET A 80 -5.564 -19.842 -2.523 1.00 0.00 H ATOM 11 HN1 MET A 80 -4.948 -18.287 -2.820 1.00 0.00 H ATOM 12 N LEU A 81 -4.681 -19.763 0.995 1.00 47.99 N ATOM 13 CA LEU A 81 -5.237 -20.526 2.109 1.00 46.30 C ATOM 14 C LEU A 81 -6.019 -19.569 2.998 1.00 45.95 C ATOM 15 O LEU A 81 -7.071 -19.916 3.539 1.00 46.56 O ATOM 16 CB LEU A 81 -4.141 -21.247 2.899 1.00 44.33 C ATOM 17 CG LEU A 81 -3.880 -22.701 2.492 1.00 41.95 C ATOM 18 CD1 LEU A 81 -2.698 -23.282 3.239 1.00 37.69 C ATOM 19 CD2 LEU A 81 -5.131 -23.534 2.720 1.00 43.06 C ATOM 20 H LEU A 81 -4.494 -18.750 1.139 1.00 0.00 H ATOM 21 N THR A 82 -5.486 -18.357 3.124 1.00 46.06 N ATOM 22 CA THR A 82 -6.221 -17.232 3.691 1.00 45.08 C ATOM 23 C THR A 82 -5.769 -15.911 3.049 1.00 46.30 C ATOM 24 O THR A 82 -5.106 -15.103 3.699 1.00 40.24 O ATOM 25 CB THR A 82 -6.040 -17.123 5.209 1.00 41.96 C ATOM 26 OG1 THR A 82 -5.974 -18.425 5.796 1.00 44.22 O ATOM 27 CG2 THR A 82 -7.159 -16.321 5.845 1.00 27.25 C ATOM 28 HG1 THR A 82 -5.857 -18.339 6.775 1.00 0.00 H ATOM 29 H THR A 82 -4.507 -18.206 2.806 1.00 0.00 H ATOM 30 N PRO A 83 -6.131 -15.682 1.773 1.00 47.50 N ATOM 31 CA PRO A 83 -5.895 -14.384 1.122 1.00 44.60 C ATOM 32 C PRO A 83 -6.441 -13.186 1.920 1.00 43.35 C ATOM 33 O PRO A 83 -7.456 -13.334 2.608 1.00 45.37 O ATOM 34 CB PRO A 83 -6.627 -14.536 -0.208 1.00 45.21 C ATOM 35 CG PRO A 83 -6.559 -16.010 -0.467 1.00 44.00 C ATOM 36 CD PRO A 83 -6.755 -16.644 0.852 1.00 45.00 C ATOM 37 N GLY A 84 -5.777 -12.037 1.782 1.00 40.76 N ATOM 38 CA GLY A 84 -6.118 -10.813 2.473 1.00 42.59 C ATOM 39 C GLY A 84 -4.946 -10.588 3.399 1.00 41.77 C ATOM 40 O GLY A 84 -4.266 -9.572 3.361 1.00 40.96 O ATOM 41 H GLY A 84 -4.962 -12.020 1.136 1.00 0.00 H ATOM 42 N ASN A 85 -4.733 -11.609 4.216 1.00 39.91 N ATOM 43 CA ASN A 85 -3.573 -11.863 5.063 1.00 37.60 C ATOM 44 C ASN A 85 -2.347 -12.419 4.318 1.00 30.27 C ATOM 45 O ASN A 85 -2.422 -13.442 3.648 1.00 38.11 O ATOM 46 CB ASN A 85 -4.074 -12.820 6.133 1.00 33.76 C ATOM 47 CG ASN A 85 -4.724 -12.103 7.318 1.00 34.78 C ATOM 48 OD1 ASN A 85 -5.850 -11.590 7.219 1.00 36.85 O ATOM 49 ND2 ASN A 85 -4.173 -12.361 8.510 1.00 32.17 N ATOM 50 HD22 ASN A 85 -3.228 -12.791 8.564 1.00 0.00 H ATOM 51 HD21 ASN A 85 -4.690 -12.131 9.383 1.00 0.00 H ATOM 52 H ASN A 85 -5.490 -12.321 4.259 1.00 0.00 H ATOM 53 N PRO A 86 -1.209 -11.722 4.395 1.00 34.45 N ATOM 54 CA PRO A 86 -0.025 -12.292 3.754 1.00 24.80 C ATOM 55 C PRO A 86 0.892 -12.946 4.779 1.00 19.12 C ATOM 56 O PRO A 86 0.435 -13.616 5.708 1.00 20.06 O ATOM 57 CB PRO A 86 0.646 -11.076 3.118 1.00 29.89 C ATOM 58 CG PRO A 86 -0.059 -9.848 3.746 1.00 29.15 C ATOM 59 CD PRO A 86 -0.964 -10.340 4.819 1.00 28.85 C ATOM 60 N LYS A 87 2.192 -12.757 4.614 1.00 16.63 N ATOM 61 CA LYS A 87 3.137 -13.382 5.524 1.00 14.60 C ATOM 62 C LYS A 87 4.468 -12.657 5.529 1.00 13.92 C ATOM 63 O LYS A 87 4.821 -11.951 4.580 1.00 16.31 O ATOM 64 CB LYS A 87 3.351 -14.855 5.163 1.00 14.62 C ATOM 65 CG LYS A 87 4.052 -15.094 3.841 1.00 22.70 C ATOM 66 CD LYS A 87 4.318 -16.584 3.601 1.00 23.35 C ATOM 67 CE LYS A 87 5.364 -17.133 4.565 1.00 22.24 C ATOM 68 NZ LYS A 87 5.819 -18.506 4.193 1.00 28.36 N ATOM 69 HZ1 LYS A 87 5.005 -19.153 4.200 1.00 0.00 H ATOM 70 HZ2 LYS A 87 6.239 -18.485 3.242 1.00 0.00 H ATOM 71 HZ3 LYS A 87 6.529 -18.832 4.879 1.00 0.00 H ATOM 72 H LYS A 87 2.537 -12.162 3.834 1.00 0.00 H ATOM 73 N TRP A 88 5.202 -12.815 6.620 1.00 12.78 N ATOM 74 CA TRP A 88 6.529 -12.238 6.710 1.00 12.22 C ATOM 75 C TRP A 88 7.497 -13.023 5.830 1.00 15.68 C ATOM 76 O TRP A 88 7.395 -14.247 5.716 1.00 16.07 O ATOM 77 CB TRP A 88 7.010 -12.235 8.157 1.00 13.24 C ATOM 78 CG TRP A 88 6.166 -11.380 9.035 1.00 10.56 C ATOM 79 CD1 TRP A 88 5.156 -11.791 9.854 1.00 9.54 C ATOM 80 CD2 TRP A 88 6.256 -9.954 9.185 1.00 9.96 C ATOM 81 NE1 TRP A 88 4.606 -10.704 10.507 1.00 10.23 N ATOM 82 CE2 TRP A 88 5.264 -9.569 10.111 1.00 11.22 C ATOM 83 CE3 TRP A 88 7.080 -8.966 8.627 1.00 14.44 C ATOM 84 CZ2 TRP A 88 5.071 -8.244 10.493 1.00 11.21 C ATOM 85 CZ3 TRP A 88 6.885 -7.651 9.008 1.00 12.36 C ATOM 86 CH2 TRP A 88 5.887 -7.300 9.929 1.00 12.03 C ATOM 87 HE1 TRP A 88 3.821 -10.741 11.188 1.00 0.00 H ATOM 88 H TRP A 88 4.822 -13.359 7.421 1.00 0.00 H ATOM 89 N GLU A 89 8.444 -12.313 5.224 1.00 18.49 N ATOM 90 CA GLU A 89 9.425 -12.946 4.345 1.00 24.97 C ATOM 91 C GLU A 89 10.683 -13.399 5.084 1.00 23.17 C ATOM 92 O GLU A 89 11.472 -14.178 4.547 1.00 31.23 O ATOM 93 CB GLU A 89 9.800 -11.996 3.206 1.00 28.03 C ATOM 94 CG GLU A 89 8.641 -11.694 2.262 1.00 33.86 C ATOM 95 CD GLU A 89 8.547 -12.687 1.121 1.00 38.60 C ATOM 96 OE1 GLU A 89 9.144 -12.427 0.054 1.00 42.23 O ATOM 97 OE2 GLU A 89 7.880 -13.731 1.291 1.00 41.85 O ATOM 98 H GLU A 89 8.487 -11.286 5.379 1.00 0.00 H ATOM 99 N ARG A 90 10.880 -12.916 6.305 1.00 18.53 N ATOM 100 CA ARG A 90 11.960 -13.434 7.138 1.00 22.17 C ATOM 101 C ARG A 90 11.427 -13.972 8.460 1.00 18.88 C ATOM 102 O ARG A 90 10.316 -13.629 8.896 1.00 20.66 O ATOM 103 CB ARG A 90 13.025 -12.367 7.383 1.00 24.48 C ATOM 104 CG ARG A 90 12.495 -11.075 7.929 1.00 26.36 C ATOM 105 CD ARG A 90 13.555 -9.989 7.878 1.00 25.91 C ATOM 106 NE ARG A 90 12.946 -8.670 7.992 1.00 29.56 N ATOM 107 CZ ARG A 90 12.758 -8.032 9.143 1.00 27.94 C ATOM 108 NH1 ARG A 90 13.144 -8.582 10.286 1.00 23.58 N ATOM 109 NH2 ARG A 90 12.189 -6.839 9.146 1.00 25.40 N ATOM 110 HE ARG A 90 12.639 -8.198 7.118 1.00 0.00 H ATOM 111 HH12 ARG A 90 12.994 -8.077 11.183 1.00 0.00 H ATOM 112 HH11 ARG A 90 13.597 -9.518 10.286 1.00 0.00 H ATOM 113 HH22 ARG A 90 12.040 -6.336 10.044 1.00 0.00 H ATOM 114 HH21 ARG A 90 11.890 -6.403 8.250 1.00 0.00 H ATOM 115 H ARG A 90 10.261 -12.164 6.670 1.00 0.00 H ATOM 116 N THR A 91 12.230 -14.823 9.084 1.00 20.61 N ATOM 117 CA THR A 91 11.805 -15.541 10.270 1.00 20.89 C ATOM 118 C THR A 91 12.235 -14.859 11.568 1.00 17.93 C ATOM 119 O THR A 91 11.645 -15.161 12.632 1.00 14.41 O ATOM 120 CB THR A 91 12.325 -17.012 10.246 1.00 20.24 C ATOM 121 OG1 THR A 91 13.665 -17.042 9.756 1.00 26.88 O ATOM 122 CG2 THR A 91 11.464 -17.869 9.305 1.00 28.00 C ATOM 123 HG1 THR A 91 13.688 -16.671 8.839 1.00 0.00 H ATOM 124 H THR A 91 13.189 -14.979 8.713 1.00 0.00 H ATOM 125 N ASN A 92 13.200 -13.935 11.503 1.00 12.83 N ATOM 126 CA ASN A 92 13.607 -13.256 12.743 1.00 12.92 C ATOM 127 C ASN A 92 12.897 -11.909 12.684 1.00 12.02 C ATOM 128 O ASN A 92 13.284 -11.080 11.854 1.00 12.78 O ATOM 129 CB ASN A 92 15.086 -12.898 12.796 1.00 17.84 C ATOM 130 CG ASN A 92 15.638 -12.788 14.189 1.00 20.82 C ATOM 131 OD1 ASN A 92 16.582 -13.509 14.537 1.00 40.14 O ATOM 132 ND2 ASN A 92 14.955 -12.076 15.034 1.00 18.90 N ATOM 133 HD22 ASN A 92 14.169 -11.483 14.699 1.00 0.00 H ATOM 134 HD21 ASN A 92 15.194 -12.099 16.046 1.00 0.00 H ATOM 135 H ASN A 92 13.652 -13.702 10.596 1.00 0.00 H ATOM 136 N LEU A 93 11.926 -11.656 13.556 1.00 9.37 N ATOM 137 CA LEU A 93 11.158 -10.407 13.578 1.00 8.82 C ATOM 138 C LEU A 93 11.449 -9.674 14.872 1.00 8.92 C ATOM 139 O LEU A 93 11.632 -10.292 15.922 1.00 9.15 O ATOM 140 CB LEU A 93 9.658 -10.698 13.446 1.00 9.67 C ATOM 141 CG LEU A 93 9.219 -11.445 12.179 1.00 10.31 C ATOM 142 CD1 LEU A 93 7.729 -11.741 12.252 1.00 13.48 C ATOM 143 CD2 LEU A 93 9.558 -10.645 10.930 1.00 13.57 C ATOM 144 H LEU A 93 11.698 -12.385 14.262 1.00 0.00 H ATOM 145 N THR A 94 11.505 -8.354 14.794 1.00 8.80 N ATOM 146 CA THR A 94 11.700 -7.554 15.987 1.00 9.36 C ATOM 147 C THR A 94 10.369 -7.024 16.506 1.00 8.95 C ATOM 148 O THR A 94 9.409 -6.853 15.741 1.00 8.11 O ATOM 149 CB THR A 94 12.652 -6.358 15.737 1.00 9.97 C ATOM 150 OG1 THR A 94 12.172 -5.596 14.625 1.00 10.24 O ATOM 151 CG2 THR A 94 14.072 -6.839 15.446 1.00 11.68 C ATOM 152 HG1 THR A 94 12.779 -4.831 14.464 1.00 0.00 H ATOM 153 H THR A 94 11.408 -7.887 13.870 1.00 0.00 H ATOM 154 N TYR A 95 10.317 -6.771 17.814 1.00 8.00 N ATOM 155 CA TYR A 95 9.154 -6.139 18.422 1.00 7.18 C ATOM 156 C TYR A 95 9.571 -5.082 19.428 1.00 7.82 C ATOM 157 O TYR A 95 10.679 -5.126 19.976 1.00 8.02 O ATOM 158 CB TYR A 95 8.250 -7.177 19.086 1.00 7.60 C ATOM 159 CG TYR A 95 8.692 -7.745 20.425 1.00 8.28 C ATOM 160 CD1 TYR A 95 8.295 -7.160 21.622 1.00 8.54 C ATOM 161 CD2 TYR A 95 9.440 -8.922 20.489 1.00 6.98 C ATOM 162 CE1 TYR A 95 8.660 -7.701 22.849 1.00 8.84 C ATOM 163 CE2 TYR A 95 9.803 -9.471 21.718 1.00 8.40 C ATOM 164 CZ TYR A 95 9.408 -8.863 22.883 1.00 9.91 C ATOM 165 OH TYR A 95 9.784 -9.422 24.087 1.00 12.16 O ATOM 166 HH TYR A 95 9.426 -8.874 24.830 1.00 0.00 H ATOM 167 H TYR A 95 11.126 -7.031 18.414 1.00 0.00 H ATOM 168 N ARG A 96 8.671 -4.130 19.651 1.00 8.08 N ATOM 169 CA ARG A 96 8.905 -3.045 20.586 1.00 9.24 C ATOM 170 C ARG A 96 7.629 -2.765 21.347 1.00 10.12 C ATOM 171 O ARG A 96 6.566 -2.650 20.736 1.00 9.65 O ATOM 172 CB ARG A 96 9.368 -1.778 19.859 1.00 10.57 C ATOM 173 CG ARG A 96 9.457 -0.557 20.771 1.00 12.73 C ATOM 174 CD ARG A 96 9.960 0.665 20.030 1.00 14.36 C ATOM 175 NE ARG A 96 9.755 1.883 20.807 1.00 15.74 N ATOM 176 CZ ARG A 96 9.818 3.107 20.301 1.00 20.90 C ATOM 177 NH1 ARG A 96 10.092 3.281 19.014 1.00 19.94 N ATOM 178 NH2 ARG A 96 9.607 4.159 21.084 1.00 20.81 N ATOM 179 HE ARG A 96 9.546 1.785 21.821 1.00 0.00 H ATOM 180 HH12 ARG A 96 10.141 4.241 18.618 1.00 0.00 H ATOM 181 HH11 ARG A 96 10.257 2.457 18.402 1.00 0.00 H ATOM 182 HH22 ARG A 96 9.656 5.120 20.689 1.00 0.00 H ATOM 183 HH21 ARG A 96 9.393 4.022 22.092 1.00 0.00 H ATOM 184 H ARG A 96 7.767 -4.164 19.137 1.00 0.00 H ATOM 185 N ILE A 97 7.738 -2.655 22.668 1.00 7.82 N ATOM 186 CA ILE A 97 6.628 -2.223 23.512 1.00 9.42 C ATOM 187 C ILE A 97 6.759 -0.715 23.717 1.00 9.20 C ATOM 188 O ILE A 97 7.713 -0.247 24.341 1.00 9.68 O ATOM 189 CB ILE A 97 6.617 -2.970 24.854 1.00 8.75 C ATOM 190 CG1 ILE A 97 6.488 -4.477 24.604 1.00 8.92 C ATOM 191 CG2 ILE A 97 5.492 -2.447 25.743 1.00 10.74 C ATOM 192 CD1 ILE A 97 6.630 -5.313 25.838 1.00 11.23 C ATOM 193 H ILE A 97 8.648 -2.885 23.116 1.00 0.00 H ATOM 194 N ARG A 98 5.816 0.044 23.162 1.00 7.79 N ATOM 195 CA ARG A 98 5.951 1.502 23.103 1.00 9.12 C ATOM 196 C ARG A 98 5.553 2.207 24.383 1.00 10.28 C ATOM 197 O ARG A 98 6.051 3.293 24.689 1.00 11.42 O ATOM 198 CB ARG A 98 5.115 2.068 21.953 1.00 10.20 C ATOM 199 CG ARG A 98 5.482 1.509 20.584 1.00 11.98 C ATOM 200 CD ARG A 98 4.848 2.346 19.492 1.00 12.26 C ATOM 201 NE ARG A 98 5.422 3.687 19.454 1.00 13.29 N ATOM 202 CZ ARG A 98 6.415 4.030 18.646 1.00 14.51 C ATOM 203 NH1 ARG A 98 6.925 3.130 17.809 1.00 17.36 N ATOM 204 NH2 ARG A 98 6.903 5.263 18.675 1.00 17.84 N ATOM 205 HE ARG A 98 5.033 4.410 20.093 1.00 0.00 H ATOM 206 HH12 ARG A 98 7.704 3.394 17.173 1.00 0.00 H ATOM 207 HH11 ARG A 98 6.544 2.162 17.791 1.00 0.00 H ATOM 208 HH22 ARG A 98 7.682 5.529 18.040 1.00 0.00 H ATOM 209 HH21 ARG A 98 6.506 5.964 19.333 1.00 0.00 H ATOM 210 H ARG A 98 4.968 -0.406 22.763 1.00 0.00 H ATOM 211 N ASN A 99 4.602 1.621 25.097 1.00 9.62 N ATOM 212 CA ASN A 99 4.123 2.171 26.352 1.00 9.97 C ATOM 213 C ASN A 99 3.471 1.074 27.185 1.00 8.52 C ATOM 214 O ASN A 99 3.460 -0.096 26.789 1.00 9.89 O ATOM 215 CB ASN A 99 3.160 3.345 26.113 1.00 10.49 C ATOM 216 CG ASN A 99 1.925 2.954 25.317 1.00 8.38 C ATOM 217 OD1 ASN A 99 1.655 1.780 25.109 1.00 8.69 O ATOM 218 ND2 ASN A 99 1.165 3.953 24.869 1.00 11.41 N ATOM 219 HD22 ASN A 99 1.431 4.938 25.068 1.00 0.00 H ATOM 220 HD21 ASN A 99 0.306 3.747 24.320 1.00 0.00 H ATOM 221 H ASN A 99 4.184 0.736 24.745 1.00 0.00 H ATOM 222 N TYR A 100 2.954 1.440 28.349 1.00 10.81 N ATOM 223 CA TYR A 100 2.512 0.446 29.311 1.00 12.70 C ATOM 224 C TYR A 100 1.115 0.770 29.822 1.00 12.63 C ATOM 225 O TYR A 100 0.519 1.776 29.439 1.00 16.75 O ATOM 226 CB TYR A 100 3.517 0.349 30.463 1.00 14.45 C ATOM 227 CG TYR A 100 4.877 -0.162 30.026 1.00 12.99 C ATOM 228 CD1 TYR A 100 5.139 -1.516 29.976 1.00 11.50 C ATOM 229 CD2 TYR A 100 5.888 0.715 29.659 1.00 15.89 C ATOM 230 CE1 TYR A 100 6.364 -1.992 29.572 1.00 11.28 C ATOM 231 CE2 TYR A 100 7.120 0.252 29.255 1.00 16.40 C ATOM 232 CZ TYR A 100 7.353 -1.103 29.213 1.00 12.75 C ATOM 233 OH TYR A 100 8.582 -1.579 28.814 1.00 16.24 O ATOM 234 HH TYR A 100 8.576 -2.569 28.842 1.00 0.00 H ATOM 235 H TYR A 100 2.864 2.451 28.576 1.00 0.00 H ATOM 236 N THR A 101 0.580 -0.118 30.646 1.00 15.11 N ATOM 237 CA THR A 101 -0.725 0.092 31.249 1.00 12.90 C ATOM 238 C THR A 101 -0.552 0.220 32.758 1.00 14.97 C ATOM 239 O THR A 101 0.257 -0.496 33.351 1.00 17.05 O ATOM 240 CB THR A 101 -1.689 -1.061 30.905 1.00 12.53 C ATOM 241 OG1 THR A 101 -2.892 -0.925 31.664 1.00 15.14 O ATOM 242 CG2 THR A 101 -1.047 -2.413 31.222 1.00 13.27 C ATOM 243 HG1 THR A 101 -3.322 -0.060 31.446 1.00 0.00 H ATOM 244 H THR A 101 1.107 -0.987 30.867 1.00 0.00 H ATOM 245 N PRO A 102 -1.296 1.144 33.390 1.00 16.43 N ATOM 246 CA PRO A 102 -1.208 1.289 34.848 1.00 20.92 C ATOM 247 C PRO A 102 -1.759 0.073 35.596 1.00 17.27 C ATOM 248 O PRO A 102 -1.562 -0.048 36.802 1.00 21.46 O ATOM 249 CB PRO A 102 -2.052 2.538 35.131 1.00 21.52 C ATOM 250 CG PRO A 102 -2.952 2.676 33.949 1.00 25.79 C ATOM 251 CD PRO A 102 -2.182 2.149 32.779 1.00 18.52 C ATOM 252 N GLN A 103 -2.432 -0.821 34.876 1.00 16.63 N ATOM 253 CA GLN A 103 -3.053 -2.003 35.475 1.00 17.30 C ATOM 254 C GLN A 103 -2.050 -3.094 35.878 1.00 17.72 C ATOM 255 O GLN A 103 -2.374 -3.975 36.673 1.00 18.27 O ATOM 256 CB GLN A 103 -4.088 -2.586 34.507 1.00 15.93 C ATOM 257 CG GLN A 103 -5.303 -1.685 34.266 1.00 18.44 C ATOM 258 CD GLN A 103 -6.177 -1.549 35.496 1.00 25.28 C ATOM 259 OE1 GLN A 103 -6.404 -2.520 36.219 1.00 29.41 O ATOM 260 NE2 GLN A 103 -6.674 -0.342 35.740 1.00 27.73 N ATOM 261 HE22 GLN A 103 -6.455 0.449 35.101 1.00 0.00 H ATOM 262 HE21 GLN A 103 -7.282 -0.188 36.570 1.00 0.00 H ATOM 263 H GLN A 103 -2.520 -0.674 33.850 1.00 0.00 H ATOM 264 N LEU A 104 -0.835 -3.023 35.336 1.00 12.92 N ATOM 265 CA LEU A 104 0.193 -4.035 35.565 1.00 14.04 C ATOM 266 C LEU A 104 1.542 -3.367 35.750 1.00 13.94 C ATOM 267 O LEU A 104 1.726 -2.233 35.325 1.00 15.33 O ATOM 268 CB LEU A 104 0.264 -5.011 34.392 1.00 15.68 C ATOM 269 CG LEU A 104 -0.896 -5.979 34.195 1.00 14.12 C ATOM 270 CD1 LEU A 104 -0.753 -6.664 32.847 1.00 13.71 C ATOM 271 CD2 LEU A 104 -0.938 -6.999 35.328 1.00 16.01 C ATOM 272 H LEU A 104 -0.609 -2.213 34.724 1.00 0.00 H ATOM 273 N SER A 105 2.484 -4.061 36.372 1.00 13.11 N ATOM 274 CA SER A 105 3.851 -3.538 36.426 1.00 13.73 C ATOM 275 C SER A 105 4.486 -3.621 35.039 1.00 13.44 C ATOM 276 O SER A 105 4.009 -4.356 34.173 1.00 14.56 O ATOM 277 CB SER A 105 4.695 -4.306 37.440 1.00 15.11 C ATOM 278 OG SER A 105 5.016 -5.590 36.947 1.00 16.96 O ATOM 279 HG SER A 105 5.563 -6.072 37.617 1.00 0.00 H ATOM 280 H SER A 105 2.254 -4.971 36.819 1.00 0.00 H ATOM 281 N GLU A 106 5.562 -2.875 34.821 1.00 14.75 N ATOM 282 CA GLU A 106 6.247 -2.936 33.536 1.00 13.72 C ATOM 283 C GLU A 106 6.756 -4.345 33.261 1.00 14.12 C ATOM 284 O GLU A 106 6.638 -4.848 32.138 1.00 11.71 O ATOM 285 CB GLU A 106 7.398 -1.934 33.493 1.00 17.56 C ATOM 286 CG GLU A 106 6.939 -0.488 33.497 1.00 18.81 C ATOM 287 CD GLU A 106 8.086 0.486 33.341 1.00 24.39 C ATOM 288 OE1 GLU A 106 9.247 0.031 33.283 1.00 26.34 O ATOM 289 OE2 GLU A 106 7.826 1.703 33.265 1.00 30.34 O ATOM 290 H GLU A 106 5.917 -2.246 35.569 1.00 0.00 H ATOM 291 N ALA A 107 7.300 -4.989 34.293 1.00 12.66 N ATOM 292 CA ALA A 107 7.786 -6.360 34.166 1.00 12.93 C ATOM 293 C ALA A 107 6.663 -7.321 33.785 1.00 11.52 C ATOM 294 O ALA A 107 6.867 -8.228 32.984 1.00 11.23 O ATOM 295 CB ALA A 107 8.446 -6.820 35.460 1.00 14.57 C ATOM 296 H ALA A 107 7.380 -4.504 35.210 1.00 0.00 H ATOM 297 N GLU A 108 5.481 -7.126 34.363 1.00 11.63 N ATOM 298 CA GLU A 108 4.356 -8.004 34.056 1.00 11.72 C ATOM 299 C GLU A 108 3.893 -7.843 32.611 1.00 9.79 C ATOM 300 O GLU A 108 3.549 -8.822 31.952 1.00 9.76 O ATOM 301 CB GLU A 108 3.204 -7.748 35.022 1.00 13.14 C ATOM 302 CG GLU A 108 3.458 -8.331 36.401 1.00 14.13 C ATOM 303 CD GLU A 108 2.431 -7.907 37.431 1.00 17.27 C ATOM 304 OE1 GLU A 108 1.924 -6.765 37.354 1.00 17.92 O ATOM 305 OE2 GLU A 108 2.114 -8.735 38.315 1.00 22.14 O ATOM 306 H GLU A 108 5.358 -6.344 35.037 1.00 0.00 H ATOM 307 N VAL A 109 3.905 -6.615 32.109 1.00 8.89 N ATOM 308 CA VAL A 109 3.588 -6.396 30.702 1.00 9.14 C ATOM 309 C VAL A 109 4.654 -7.034 29.802 1.00 8.08 C ATOM 310 O VAL A 109 4.327 -7.731 28.838 1.00 8.50 O ATOM 311 CB VAL A 109 3.455 -4.896 30.378 1.00 9.08 C ATOM 312 CG1 VAL A 109 3.409 -4.659 28.877 1.00 9.25 C ATOM 313 CG2 VAL A 109 2.210 -4.323 31.053 1.00 11.05 C ATOM 314 H VAL A 109 4.141 -5.807 32.720 1.00 0.00 H ATOM 315 N GLU A 110 5.927 -6.825 30.130 1.00 8.22 N ATOM 316 CA GLU A 110 7.016 -7.404 29.336 1.00 7.52 C ATOM 317 C GLU A 110 6.893 -8.920 29.288 1.00 8.82 C ATOM 318 O GLU A 110 7.064 -9.529 28.238 1.00 8.55 O ATOM 319 CB GLU A 110 8.394 -6.990 29.895 1.00 10.23 C ATOM 320 CG GLU A 110 8.721 -5.503 29.735 1.00 9.94 C ATOM 321 CD GLU A 110 9.140 -5.122 28.328 1.00 11.87 C ATOM 322 OE1 GLU A 110 9.400 -6.020 27.503 1.00 12.28 O ATOM 323 OE2 GLU A 110 9.237 -3.903 28.046 1.00 13.04 O ATOM 324 H GLU A 110 6.153 -6.243 30.962 1.00 0.00 H ATOM 325 N ARG A 111 6.573 -9.527 30.421 1.00 8.43 N ATOM 326 CA ARG A 111 6.479 -10.979 30.500 1.00 8.15 C ATOM 327 C ARG A 111 5.265 -11.497 29.712 1.00 7.36 C ATOM 328 O ARG A 111 5.349 -12.515 29.022 1.00 8.10 O ATOM 329 CB ARG A 111 6.414 -11.406 31.968 1.00 9.78 C ATOM 330 CG ARG A 111 6.192 -12.888 32.197 1.00 10.04 C ATOM 331 CD ARG A 111 7.141 -13.746 31.401 1.00 11.63 C ATOM 332 NE ARG A 111 8.533 -13.517 31.759 1.00 13.56 N ATOM 333 CZ ARG A 111 9.540 -14.234 31.276 1.00 15.27 C ATOM 334 NH1 ARG A 111 9.304 -15.208 30.406 1.00 14.29 N ATOM 335 NH2 ARG A 111 10.784 -13.977 31.655 1.00 19.69 N ATOM 336 HE ARG A 111 8.750 -12.751 32.428 1.00 0.00 H ATOM 337 HH12 ARG A 111 10.093 -15.770 30.028 1.00 0.00 H ATOM 338 HH11 ARG A 111 8.330 -15.410 30.103 1.00 0.00 H ATOM 339 HH22 ARG A 111 11.571 -14.541 31.274 1.00 0.00 H ATOM 340 HH21 ARG A 111 10.973 -13.211 32.333 1.00 0.00 H ATOM 341 H ARG A 111 6.385 -8.957 31.270 1.00 0.00 H ATOM 342 N ALA A 112 4.133 -10.801 29.807 1.00 6.95 N ATOM 343 CA ALA A 112 2.952 -11.195 29.056 1.00 7.00 C ATOM 344 C ALA A 112 3.220 -11.198 27.551 1.00 7.25 C ATOM 345 O ALA A 112 2.870 -12.156 26.847 1.00 8.44 O ATOM 346 CB ALA A 112 1.799 -10.302 29.382 1.00 8.71 C ATOM 347 H ALA A 112 4.094 -9.966 30.426 1.00 0.00 H ATOM 348 N ILE A 113 3.837 -10.125 27.068 1.00 6.85 N ATOM 349 CA ILE A 113 4.119 -9.983 25.653 1.00 7.70 C ATOM 350 C ILE A 113 5.166 -11.003 25.176 1.00 8.53 C ATOM 351 O ILE A 113 4.981 -11.669 24.153 1.00 8.42 O ATOM 352 CB ILE A 113 4.594 -8.551 25.362 1.00 7.69 C ATOM 353 CG1 ILE A 113 3.475 -7.539 25.646 1.00 10.28 C ATOM 354 CG2 ILE A 113 5.089 -8.450 23.952 1.00 8.51 C ATOM 355 CD1 ILE A 113 2.175 -7.828 24.933 1.00 10.50 C ATOM 356 H ILE A 113 4.125 -9.368 27.721 1.00 0.00 H ATOM 357 N LYS A 114 6.254 -11.129 25.926 1.00 7.38 N ATOM 358 CA LYS A 114 7.289 -12.103 25.597 1.00 9.48 C ATOM 359 C LYS A 114 6.707 -13.513 25.482 1.00 8.19 C ATOM 360 O LYS A 114 6.956 -14.232 24.506 1.00 8.94 O ATOM 361 CB LYS A 114 8.399 -12.088 26.654 1.00 10.80 C ATOM 362 CG LYS A 114 9.486 -13.135 26.437 1.00 12.51 C ATOM 363 CD LYS A 114 10.413 -13.190 27.635 1.00 16.78 C ATOM 364 CE LYS A 114 11.328 -14.399 27.591 1.00 26.91 C ATOM 365 NZ LYS A 114 12.360 -14.273 26.529 1.00 31.10 N ATOM 366 HZ1 LYS A 114 11.894 -14.182 25.604 1.00 0.00 H ATOM 367 HZ2 LYS A 114 12.941 -13.430 26.710 1.00 0.00 H ATOM 368 HZ3 LYS A 114 12.964 -15.119 26.532 1.00 0.00 H ATOM 369 H LYS A 114 6.371 -10.523 26.763 1.00 0.00 H ATOM 370 N ASP A 115 5.925 -13.916 26.474 1.00 7.81 N ATOM 371 CA ASP A 115 5.399 -15.281 26.467 1.00 8.61 C ATOM 372 C ASP A 115 4.359 -15.485 25.364 1.00 8.00 C ATOM 373 O ASP A 115 4.241 -16.583 24.828 1.00 8.22 O ATOM 374 CB ASP A 115 4.797 -15.653 27.822 1.00 9.41 C ATOM 375 CG ASP A 115 5.845 -15.878 28.898 1.00 9.67 C ATOM 376 OD1 ASP A 115 7.051 -15.735 28.604 1.00 11.61 O ATOM 377 OD2 ASP A 115 5.439 -16.189 30.040 1.00 12.57 O ATOM 378 H ASP A 115 5.687 -13.267 27.251 1.00 0.00 H ATOM 379 N ALA A 116 3.618 -14.429 25.010 1.00 7.63 N ATOM 380 CA ALA A 116 2.682 -14.527 23.890 1.00 7.72 C ATOM 381 C ALA A 116 3.438 -14.778 22.576 1.00 8.50 C ATOM 382 O ALA A 116 3.009 -15.589 21.757 1.00 10.10 O ATOM 383 CB ALA A 116 1.824 -13.261 23.798 1.00 7.37 C ATOM 384 H ALA A 116 3.708 -13.535 25.533 1.00 0.00 H ATOM 385 N PHE A 117 4.560 -14.098 22.363 1.00 7.47 N ATOM 386 CA PHE A 117 5.382 -14.389 21.190 1.00 7.93 C ATOM 387 C PHE A 117 5.946 -15.814 21.239 1.00 9.03 C ATOM 388 O PHE A 117 6.004 -16.515 20.217 1.00 8.79 O ATOM 389 CB PHE A 117 6.523 -13.389 21.068 1.00 6.91 C ATOM 390 CG PHE A 117 6.127 -12.102 20.420 1.00 5.82 C ATOM 391 CD1 PHE A 117 5.619 -12.091 19.132 1.00 7.39 C ATOM 392 CD2 PHE A 117 6.274 -10.898 21.088 1.00 7.67 C ATOM 393 CE1 PHE A 117 5.259 -10.910 18.524 1.00 9.95 C ATOM 394 CE2 PHE A 117 5.914 -9.709 20.482 1.00 8.20 C ATOM 395 CZ PHE A 117 5.412 -9.720 19.191 1.00 9.01 C ATOM 396 H PHE A 117 4.853 -13.358 23.032 1.00 0.00 H ATOM 397 N GLU A 118 6.377 -16.233 22.421 1.00 9.18 N ATOM 398 CA GLU A 118 6.954 -17.565 22.584 1.00 8.15 C ATOM 399 C GLU A 118 5.991 -18.663 22.158 1.00 9.94 C ATOM 400 O GLU A 118 6.429 -19.661 21.589 1.00 9.31 O ATOM 401 CB GLU A 118 7.398 -17.795 24.030 1.00 10.90 C ATOM 402 CG GLU A 118 8.244 -19.058 24.228 1.00 16.22 C ATOM 403 CD GLU A 118 9.609 -18.981 23.556 1.00 21.49 C ATOM 404 OE1 GLU A 118 10.280 -20.034 23.469 1.00 29.38 O ATOM 405 OE2 GLU A 118 10.018 -17.880 23.124 1.00 22.58 O ATOM 406 H GLU A 118 6.303 -15.603 23.245 1.00 0.00 H ATOM 407 N LEU A 119 4.694 -18.488 22.424 1.00 8.56 N ATOM 408 CA LEU A 119 3.679 -19.452 21.994 1.00 9.39 C ATOM 409 C LEU A 119 3.797 -19.762 20.515 1.00 8.91 C ATOM 410 O LEU A 119 3.774 -20.921 20.097 1.00 11.96 O ATOM 411 CB LEU A 119 2.269 -18.935 22.273 1.00 12.85 C ATOM 412 CG LEU A 119 1.665 -19.120 23.652 1.00 16.68 C ATOM 413 CD1 LEU A 119 0.237 -18.620 23.621 1.00 12.88 C ATOM 414 CD2 LEU A 119 1.688 -20.574 24.039 1.00 17.90 C ATOM 415 H LEU A 119 4.396 -17.643 22.952 1.00 0.00 H ATOM 416 N TRP A 120 3.892 -18.708 19.715 1.00 7.96 N ATOM 417 CA TRP A 120 3.998 -18.875 18.285 1.00 7.77 C ATOM 418 C TRP A 120 5.382 -19.390 17.892 1.00 8.33 C ATOM 419 O TRP A 120 5.513 -20.185 16.955 1.00 9.48 O ATOM 420 CB TRP A 120 3.668 -17.556 17.575 1.00 8.61 C ATOM 421 CG TRP A 120 2.255 -17.117 17.850 1.00 7.06 C ATOM 422 CD1 TRP A 120 1.856 -16.097 18.664 1.00 6.99 C ATOM 423 CD2 TRP A 120 1.056 -17.710 17.336 1.00 7.38 C ATOM 424 NE1 TRP A 120 0.483 -16.011 18.678 1.00 8.36 N ATOM 425 CE2 TRP A 120 -0.032 -16.989 17.868 1.00 6.64 C ATOM 426 CE3 TRP A 120 0.798 -18.771 16.464 1.00 8.91 C ATOM 427 CZ2 TRP A 120 -1.356 -17.303 17.565 1.00 7.54 C ATOM 428 CZ3 TRP A 120 -0.513 -19.083 16.160 1.00 8.23 C ATOM 429 CH2 TRP A 120 -1.578 -18.347 16.707 1.00 8.64 C ATOM 430 HE1 TRP A 120 -0.074 -15.317 19.216 1.00 0.00 H ATOM 431 H TRP A 120 3.890 -17.751 20.122 1.00 0.00 H ATOM 432 N SER A 121 6.416 -18.929 18.592 1.00 7.49 N ATOM 433 CA SER A 121 7.772 -19.329 18.251 1.00 9.01 C ATOM 434 C SER A 121 7.990 -20.836 18.429 1.00 9.58 C ATOM 435 O SER A 121 8.703 -21.455 17.628 1.00 12.10 O ATOM 436 CB SER A 121 8.779 -18.546 19.089 1.00 13.03 C ATOM 437 OG SER A 121 8.735 -18.946 20.445 1.00 23.91 O ATOM 438 HG SER A 121 7.828 -18.784 20.806 1.00 0.00 H ATOM 439 H SER A 121 6.253 -18.279 19.387 1.00 0.00 H ATOM 440 N VAL A 122 7.381 -21.442 19.441 1.00 9.30 N ATOM 441 CA VAL A 122 7.660 -22.856 19.694 1.00 11.17 C ATOM 442 C VAL A 122 6.871 -23.782 18.764 1.00 11.29 C ATOM 443 O VAL A 122 7.062 -25.000 18.799 1.00 9.78 O ATOM 444 CB VAL A 122 7.399 -23.226 21.164 1.00 13.47 C ATOM 445 CG1 VAL A 122 8.335 -22.429 22.075 1.00 17.40 C ATOM 446 CG2 VAL A 122 5.963 -22.993 21.540 1.00 18.18 C ATOM 447 H VAL A 122 6.715 -20.919 20.045 1.00 0.00 H ATOM 448 N ALA A 123 6.028 -23.206 17.907 1.00 9.89 N ATOM 449 CA ALA A 123 5.246 -23.974 16.936 1.00 8.55 C ATOM 450 C ALA A 123 5.572 -23.601 15.484 1.00 7.89 C ATOM 451 O ALA A 123 4.856 -23.994 14.558 1.00 8.20 O ATOM 452 CB ALA A 123 3.759 -23.777 17.202 1.00 11.55 C ATOM 453 H ALA A 123 5.922 -22.172 17.929 1.00 0.00 H ATOM 454 N SER A 124 6.649 -22.848 15.277 1.00 7.57 N ATOM 455 CA SER A 124 6.989 -22.304 13.961 1.00 8.56 C ATOM 456 C SER A 124 8.498 -22.023 13.915 1.00 8.06 C ATOM 457 O SER A 124 9.171 -22.221 14.913 1.00 9.22 O ATOM 458 CB SER A 124 6.206 -21.016 13.700 1.00 10.13 C ATOM 459 OG SER A 124 6.741 -19.957 14.486 1.00 9.27 O ATOM 460 HG SER A 124 6.673 -20.193 15.445 1.00 0.00 H ATOM 461 H SER A 124 7.274 -22.638 16.081 1.00 0.00 H ATOM 462 N PRO A 125 9.031 -21.557 12.767 1.00 8.62 N ATOM 463 CA PRO A 125 10.451 -21.170 12.757 1.00 9.65 C ATOM 464 C PRO A 125 10.704 -19.740 13.233 1.00 9.61 C ATOM 465 O PRO A 125 11.837 -19.267 13.209 1.00 10.97 O ATOM 466 CB PRO A 125 10.845 -21.304 11.276 1.00 11.88 C ATOM 467 CG PRO A 125 9.688 -22.011 10.600 1.00 14.57 C ATOM 468 CD PRO A 125 8.488 -21.635 11.400 1.00 9.98 C ATOM 469 N LEU A 126 9.651 -19.046 13.637 1.00 9.01 N ATOM 470 CA LEU A 126 9.780 -17.632 13.954 1.00 9.72 C ATOM 471 C LEU A 126 10.558 -17.407 15.237 1.00 7.78 C ATOM 472 O LEU A 126 10.388 -18.127 16.227 1.00 9.42 O ATOM 473 CB LEU A 126 8.393 -16.995 14.051 1.00 8.34 C ATOM 474 CG LEU A 126 7.528 -17.160 12.798 1.00 11.59 C ATOM 475 CD1 LEU A 126 6.089 -16.767 13.094 1.00 14.96 C ATOM 476 CD2 LEU A 126 8.100 -16.342 11.659 1.00 17.27 C ATOM 477 H LEU A 126 8.727 -19.514 13.728 1.00 0.00 H ATOM 478 N ILE A 127 11.409 -16.388 15.206 1.00 7.36 N ATOM 479 CA ILE A 127 12.195 -15.969 16.357 1.00 8.10 C ATOM 480 C ILE A 127 11.912 -14.494 16.565 1.00 9.27 C ATOM 481 O ILE A 127 12.062 -13.700 15.640 1.00 9.47 O ATOM 482 CB ILE A 127 13.709 -16.198 16.136 1.00 9.22 C ATOM 483 CG1 ILE A 127 13.991 -17.679 15.879 1.00 9.99 C ATOM 484 CG2 ILE A 127 14.512 -15.680 17.325 1.00 12.09 C ATOM 485 CD1 ILE A 127 15.406 -17.961 15.391 1.00 12.37 C ATOM 486 H ILE A 127 11.519 -15.863 14.315 1.00 0.00 H ATOM 487 N PHE A 128 11.495 -14.136 17.771 1.00 7.79 N ATOM 488 CA PHE A 128 11.141 -12.759 18.072 1.00 7.83 C ATOM 489 C PHE A 128 12.205 -12.106 18.929 1.00 8.95 C ATOM 490 O PHE A 128 12.602 -12.640 19.961 1.00 9.52 O ATOM 491 CB PHE A 128 9.777 -12.723 18.744 1.00 9.28 C ATOM 492 CG PHE A 128 8.697 -13.273 17.877 1.00 7.57 C ATOM 493 CD1 PHE A 128 8.145 -12.500 16.870 1.00 8.72 C ATOM 494 CD2 PHE A 128 8.262 -14.582 18.038 1.00 7.83 C ATOM 495 CE1 PHE A 128 7.157 -13.010 16.051 1.00 9.78 C ATOM 496 CE2 PHE A 128 7.272 -15.100 17.219 1.00 8.06 C ATOM 497 CZ PHE A 128 6.724 -14.308 16.226 1.00 8.30 C ATOM 498 H PHE A 128 11.419 -14.856 18.518 1.00 0.00 H ATOM 499 N THR A 129 12.660 -10.943 18.488 1.00 9.08 N ATOM 500 CA THR A 129 13.733 -10.236 19.162 1.00 8.81 C ATOM 501 C THR A 129 13.240 -8.874 19.626 1.00 7.76 C ATOM 502 O THR A 129 12.755 -8.093 18.822 1.00 9.14 O ATOM 503 CB THR A 129 14.946 -10.074 18.229 1.00 8.65 C ATOM 504 OG1 THR A 129 15.457 -11.369 17.869 1.00 12.03 O ATOM 505 CG2 THR A 129 16.037 -9.259 18.917 1.00 13.73 C ATOM 506 HG1 THR A 129 16.237 -11.260 17.269 1.00 0.00 H ATOM 507 H THR A 129 12.237 -10.525 17.635 1.00 0.00 H ATOM 508 N ARG A 130 13.342 -8.613 20.921 1.00 8.77 N ATOM 509 CA ARG A 130 12.906 -7.341 21.507 1.00 7.61 C ATOM 510 C ARG A 130 13.906 -6.213 21.291 1.00 8.45 C ATOM 511 O ARG A 130 15.114 -6.405 21.452 1.00 9.55 O ATOM 512 CB ARG A 130 12.661 -7.527 23.006 1.00 9.90 C ATOM 513 CG ARG A 130 12.049 -6.334 23.698 1.00 10.67 C ATOM 514 CD ARG A 130 11.960 -6.557 25.197 1.00 10.55 C ATOM 515 NE ARG A 130 11.549 -5.352 25.900 1.00 12.54 N ATOM 516 CZ ARG A 130 12.353 -4.321 26.127 1.00 12.18 C ATOM 517 NH1 ARG A 130 11.900 -3.250 26.764 1.00 13.89 N ATOM 518 NH2 ARG A 130 13.609 -4.353 25.700 1.00 12.96 N ATOM 519 HE ARG A 130 10.569 -5.295 26.244 1.00 0.00 H ATOM 520 HH12 ARG A 130 12.533 -2.444 26.940 1.00 0.00 H ATOM 521 HH11 ARG A 130 10.912 -3.216 27.087 1.00 0.00 H ATOM 522 HH22 ARG A 130 14.239 -3.545 25.878 1.00 0.00 H ATOM 523 HH21 ARG A 130 13.963 -5.186 25.188 1.00 0.00 H ATOM 524 H ARG A 130 13.747 -9.338 21.546 1.00 0.00 H ATOM 525 N ILE A 131 13.396 -5.039 20.934 1.00 8.34 N ATOM 526 CA ILE A 131 14.213 -3.833 20.948 1.00 8.05 C ATOM 527 C ILE A 131 13.557 -2.854 21.909 1.00 8.05 C ATOM 528 O ILE A 131 12.346 -2.928 22.143 1.00 10.04 O ATOM 529 CB ILE A 131 14.399 -3.208 19.542 1.00 13.08 C ATOM 530 CG1 ILE A 131 13.076 -2.693 18.971 1.00 13.04 C ATOM 531 CG2 ILE A 131 15.087 -4.202 18.585 1.00 12.29 C ATOM 532 CD1 ILE A 131 13.246 -1.997 17.636 1.00 15.83 C ATOM 533 H ILE A 131 12.400 -4.980 20.641 1.00 0.00 H ATOM 534 N SER A 132 14.359 -1.951 22.473 1.00 7.37 N ATOM 535 CA SER A 132 13.877 -1.043 23.519 1.00 8.92 C ATOM 536 C SER A 132 13.450 0.313 22.980 1.00 11.28 C ATOM 537 O SER A 132 12.676 1.022 23.631 1.00 16.01 O ATOM 538 CB SER A 132 14.947 -0.834 24.597 1.00 10.65 C ATOM 539 OG SER A 132 15.165 -2.009 25.366 1.00 9.90 O ATOM 540 HG SER A 132 15.860 -1.831 26.048 1.00 0.00 H ATOM 541 H SER A 132 15.350 -1.889 22.164 1.00 0.00 H ATOM 542 N GLN A 133 13.973 0.676 21.818 1.00 12.97 N ATOM 543 CA GLN A 133 13.676 1.945 21.163 1.00 15.76 C ATOM 544 C GLN A 133 13.776 1.738 19.666 1.00 12.92 C ATOM 545 O GLN A 133 14.278 0.705 19.214 1.00 16.38 O ATOM 546 CB GLN A 133 14.646 3.048 21.595 1.00 18.40 C ATOM 547 CG GLN A 133 14.630 3.414 23.072 1.00 20.96 C ATOM 548 CD GLN A 133 13.311 4.006 23.523 1.00 24.77 C ATOM 549 OE1 GLN A 133 12.550 4.554 22.720 1.00 29.54 O ATOM 550 NE2 GLN A 133 13.027 3.892 24.816 1.00 27.04 N ATOM 551 HE22 GLN A 133 13.698 3.422 25.456 1.00 0.00 H ATOM 552 HE21 GLN A 133 12.133 4.273 25.188 1.00 0.00 H ATOM 553 H GLN A 133 14.630 0.021 21.348 1.00 0.00 H ATOM 554 N GLY A 134 13.284 2.702 18.891 1.00 17.63 N ATOM 555 CA GLY A 134 13.442 2.658 17.449 1.00 20.33 C ATOM 556 C GLY A 134 12.368 1.887 16.711 1.00 23.74 C ATOM 557 O GLY A 134 11.308 1.597 17.259 1.00 17.82 O ATOM 558 H GLY A 134 12.778 3.500 19.326 1.00 0.00 H ATOM 559 N GLU A 135 12.654 1.551 15.458 1.00 23.35 N ATOM 560 CA GLU A 135 11.666 0.915 14.597 1.00 22.67 C ATOM 561 C GLU A 135 11.755 -0.609 14.615 1.00 14.49 C ATOM 562 O GLU A 135 12.776 -1.191 14.247 1.00 21.21 O ATOM 563 CB GLU A 135 11.809 1.432 13.161 1.00 27.04 C ATOM 564 CG GLU A 135 11.410 2.891 12.971 1.00 30.04 C ATOM 565 CD GLU A 135 9.900 3.116 12.945 1.00 31.39 C ATOM 566 OE1 GLU A 135 9.145 2.304 13.520 1.00 35.16 O ATOM 567 OE2 GLU A 135 9.465 4.116 12.333 1.00 37.62 O ATOM 568 H GLU A 135 13.604 1.746 15.083 1.00 0.00 H ATOM 569 N ALA A 136 10.667 -1.233 15.056 1.00 15.99 N ATOM 570 CA ALA A 136 10.549 -2.684 15.099 1.00 13.11 C ATOM 571 C ALA A 136 9.574 -3.150 14.042 1.00 11.90 C ATOM 572 O ALA A 136 8.778 -2.364 13.540 1.00 14.34 O ATOM 573 CB ALA A 136 10.094 -3.132 16.461 1.00 13.10 C ATOM 574 H ALA A 136 9.864 -0.659 15.385 1.00 0.00 H ATOM 575 N ASP A 137 9.621 -4.434 13.711 1.00 10.80 N ATOM 576 CA ASP A 137 8.623 -4.997 12.810 1.00 11.15 C ATOM 577 C ASP A 137 7.240 -4.920 13.424 1.00 11.11 C ATOM 578 O ASP A 137 6.280 -4.548 12.756 1.00 10.72 O ATOM 579 CB ASP A 137 8.944 -6.455 12.477 1.00 10.31 C ATOM 580 CG ASP A 137 10.207 -6.602 11.663 1.00 11.44 C ATOM 581 OD1 ASP A 137 10.358 -5.877 10.660 1.00 14.80 O ATOM 582 OD2 ASP A 137 11.055 -7.452 12.017 1.00 11.41 O ATOM 583 H ASP A 137 10.373 -5.041 14.096 1.00 0.00 H ATOM 584 N ILE A 138 7.145 -5.311 14.691 1.00 9.64 N ATOM 585 CA ILE A 138 5.872 -5.342 15.397 1.00 9.09 C ATOM 586 C ILE A 138 5.892 -4.365 16.572 1.00 10.05 C ATOM 587 O ILE A 138 6.606 -4.570 17.561 1.00 9.70 O ATOM 588 CB ILE A 138 5.565 -6.768 15.878 1.00 7.72 C ATOM 589 CG1 ILE A 138 5.431 -7.698 14.667 1.00 10.82 C ATOM 590 CG2 ILE A 138 4.301 -6.784 16.719 1.00 10.60 C ATOM 591 CD1 ILE A 138 5.355 -9.180 15.019 1.00 10.03 C ATOM 592 H ILE A 138 8.007 -5.604 15.194 1.00 0.00 H ATOM 593 N ASN A 139 5.143 -3.274 16.440 1.00 8.96 N ATOM 594 CA ASN A 139 4.949 -2.331 17.534 1.00 9.06 C ATOM 595 C ASN A 139 3.777 -2.733 18.387 1.00 9.51 C ATOM 596 O ASN A 139 2.731 -3.078 17.854 1.00 12.58 O ATOM 597 CB ASN A 139 4.700 -0.923 17.007 1.00 12.63 C ATOM 598 CG ASN A 139 5.909 -0.329 16.355 1.00 17.93 C ATOM 599 OD1 ASN A 139 6.772 0.229 17.033 1.00 20.43 O ATOM 600 ND2 ASN A 139 5.983 -0.429 15.032 1.00 18.53 N ATOM 601 HD22 ASN A 139 5.227 -0.911 14.504 1.00 0.00 H ATOM 602 HD21 ASN A 139 6.796 -0.026 14.525 1.00 0.00 H ATOM 603 H ASN A 139 4.681 -3.088 15.527 1.00 0.00 H ATOM 604 N ILE A 140 3.957 -2.688 19.696 1.00 9.69 N ATOM 605 CA ILE A 140 2.903 -2.946 20.670 1.00 8.49 C ATOM 606 C ILE A 140 2.627 -1.677 21.462 1.00 7.55 C ATOM 607 O ILE A 140 3.563 -1.018 21.922 1.00 8.46 O ATOM 608 CB ILE A 140 3.313 -4.087 21.633 1.00 9.23 C ATOM 609 CG1 ILE A 140 3.307 -5.437 20.909 1.00 11.33 C ATOM 610 CG2 ILE A 140 2.436 -4.113 22.868 1.00 10.77 C ATOM 611 CD1 ILE A 140 4.651 -6.131 20.857 1.00 11.18 C ATOM 612 H ILE A 140 4.906 -2.455 20.052 1.00 0.00 H ATOM 613 N ALA A 141 1.356 -1.319 21.623 1.00 6.99 N ATOM 614 CA ALA A 141 1.048 -0.134 22.418 1.00 7.61 C ATOM 615 C ALA A 141 -0.349 -0.192 22.978 1.00 6.62 C ATOM 616 O ALA A 141 -1.219 -0.870 22.428 1.00 7.82 O ATOM 617 CB ALA A 141 1.228 1.129 21.597 1.00 8.82 C ATOM 618 H ALA A 141 0.592 -1.876 21.189 1.00 0.00 H ATOM 619 N PHE A 142 -0.529 0.522 24.083 1.00 7.83 N ATOM 620 CA PHE A 142 -1.826 0.734 24.706 1.00 7.91 C ATOM 621 C PHE A 142 -2.361 2.103 24.335 1.00 7.81 C ATOM 622 O PHE A 142 -1.705 3.120 24.619 1.00 8.35 O ATOM 623 CB PHE A 142 -1.697 0.613 26.220 1.00 7.90 C ATOM 624 CG PHE A 142 -1.224 -0.739 26.670 1.00 7.90 C ATOM 625 CD1 PHE A 142 0.139 -1.030 26.728 1.00 9.35 C ATOM 626 CD2 PHE A 142 -2.137 -1.727 26.991 1.00 7.60 C ATOM 627 CE1 PHE A 142 0.574 -2.276 27.131 1.00 11.71 C ATOM 628 CE2 PHE A 142 -1.704 -2.981 27.402 1.00 9.34 C ATOM 629 CZ PHE A 142 -0.346 -3.253 27.462 1.00 8.79 C ATOM 630 H PHE A 142 0.305 0.954 24.529 1.00 0.00 H ATOM 631 N TYR A 143 -3.530 2.135 23.696 1.00 7.83 N ATOM 632 CA TYR A 143 -4.162 3.383 23.273 1.00 7.04 C ATOM 633 C TYR A 143 -5.640 3.402 23.643 1.00 6.05 C ATOM 634 O TYR A 143 -6.245 2.346 23.821 1.00 7.61 O ATOM 635 CB TYR A 143 -4.025 3.560 21.766 1.00 8.23 C ATOM 636 CG TYR A 143 -2.618 3.705 21.244 1.00 7.18 C ATOM 637 CD1 TYR A 143 -1.721 4.584 21.834 1.00 9.57 C ATOM 638 CD2 TYR A 143 -2.193 2.964 20.146 1.00 11.25 C ATOM 639 CE1 TYR A 143 -0.434 4.721 21.343 1.00 8.83 C ATOM 640 CE2 TYR A 143 -0.913 3.082 19.657 1.00 10.04 C ATOM 641 CZ TYR A 143 -0.031 3.964 20.255 1.00 9.85 C ATOM 642 OH TYR A 143 1.250 4.081 19.757 1.00 12.20 O ATOM 643 HH TYR A 143 1.751 4.747 20.291 1.00 0.00 H ATOM 644 H TYR A 143 -4.012 1.236 23.490 1.00 0.00 H ATOM 645 N GLN A 144 -6.199 4.605 23.730 1.00 7.21 N ATOM 646 CA GLN A 144 -7.624 4.824 24.001 1.00 9.05 C ATOM 647 C GLN A 144 -8.342 5.401 22.785 1.00 8.21 C ATOM 648 O GLN A 144 -7.789 6.245 22.082 1.00 8.18 O ATOM 649 CB GLN A 144 -7.824 5.798 25.172 1.00 13.99 C ATOM 650 CG GLN A 144 -7.132 5.433 26.473 1.00 17.11 C ATOM 651 CD GLN A 144 -7.374 6.471 27.547 1.00 18.65 C ATOM 652 OE1 GLN A 144 -6.434 6.987 28.147 1.00 22.83 O ATOM 653 NE2 GLN A 144 -8.640 6.778 27.800 1.00 18.99 N ATOM 654 HE22 GLN A 144 -9.404 6.316 27.267 1.00 0.00 H ATOM 655 HE21 GLN A 144 -8.868 7.481 28.532 1.00 0.00 H ATOM 656 H GLN A 144 -5.591 5.439 23.598 1.00 0.00 H ATOM 657 N ARG A 145 -9.584 4.967 22.568 1.00 7.97 N ATOM 658 CA ARG A 145 -10.491 5.583 21.589 1.00 7.40 C ATOM 659 C ARG A 145 -9.779 5.822 20.247 1.00 7.39 C ATOM 660 O ARG A 145 -9.168 4.902 19.721 1.00 6.92 O ATOM 661 CB ARG A 145 -11.078 6.880 22.157 1.00 8.90 C ATOM 662 CG ARG A 145 -11.711 6.696 23.532 1.00 9.84 C ATOM 663 CD ARG A 145 -12.841 5.680 23.507 1.00 14.07 C ATOM 664 NE ARG A 145 -13.527 5.601 24.795 1.00 12.59 N ATOM 665 CZ ARG A 145 -14.848 5.691 24.941 1.00 20.50 C ATOM 666 NH1 ARG A 145 -15.392 5.608 26.145 1.00 29.45 N ATOM 667 NH2 ARG A 145 -15.624 5.834 23.876 1.00 23.56 N ATOM 668 HE ARG A 145 -12.949 5.466 25.649 1.00 0.00 H ATOM 669 HH12 ARG A 145 -16.424 5.679 26.255 1.00 0.00 H ATOM 670 HH11 ARG A 145 -14.788 5.472 26.980 1.00 0.00 H ATOM 671 HH22 ARG A 145 -16.655 5.904 23.990 1.00 0.00 H ATOM 672 HH21 ARG A 145 -15.202 5.876 22.927 1.00 0.00 H ATOM 673 H ARG A 145 -9.927 4.154 23.118 1.00 0.00 H ATOM 674 N ASP A 146 -9.876 7.028 19.689 1.00 8.34 N ATOM 675 CA ASP A 146 -9.168 7.329 18.446 1.00 8.68 C ATOM 676 C ASP A 146 -7.675 7.351 18.682 1.00 8.27 C ATOM 677 O ASP A 146 -7.219 8.062 19.571 1.00 8.41 O ATOM 678 CB ASP A 146 -9.554 8.698 17.893 1.00 8.46 C ATOM 679 CG ASP A 146 -11.008 8.802 17.520 1.00 15.72 C ATOM 680 OD1 ASP A 146 -11.574 7.852 16.937 1.00 14.64 O ATOM 681 OD2 ASP A 146 -11.576 9.879 17.792 1.00 18.60 O ATOM 682 H ASP A 146 -10.460 7.761 20.141 1.00 0.00 H ATOM 683 N HIS A 147 -6.908 6.636 17.866 1.00 6.97 N ATOM 684 CA HIS A 147 -5.464 6.607 18.091 1.00 7.20 C ATOM 685 C HIS A 147 -4.652 6.512 16.793 1.00 8.15 C ATOM 686 O HIS A 147 -3.569 5.913 16.761 1.00 8.15 O ATOM 687 CB HIS A 147 -5.118 5.465 19.058 1.00 8.06 C ATOM 688 CG HIS A 147 -5.537 4.112 18.575 1.00 7.04 C ATOM 689 ND1 HIS A 147 -6.800 3.600 18.787 1.00 8.12 N ATOM 690 CD2 HIS A 147 -4.861 3.175 17.867 1.00 7.82 C ATOM 691 CE1 HIS A 147 -6.875 2.399 18.241 1.00 6.67 C ATOM 692 NE2 HIS A 147 -5.712 2.118 17.680 1.00 7.09 N ATOM 693 H HIS A 147 -7.329 6.104 17.078 1.00 0.00 H ATOM 694 N GLY A 148 -5.165 7.125 15.727 1.00 9.45 N ATOM 695 CA GLY A 148 -4.366 7.384 14.544 1.00 13.37 C ATOM 696 C GLY A 148 -4.425 6.381 13.413 1.00 12.48 C ATOM 697 O GLY A 148 -3.698 6.535 12.425 1.00 15.33 O ATOM 698 H GLY A 148 -6.161 7.425 15.743 1.00 0.00 H ATOM 699 N ASP A 149 -5.273 5.362 13.525 1.00 11.65 N ATOM 700 CA ASP A 149 -5.314 4.342 12.478 1.00 13.47 C ATOM 701 C ASP A 149 -6.699 4.016 11.937 1.00 18.51 C ATOM 702 O ASP A 149 -6.862 2.987 11.282 1.00 20.60 O ATOM 703 CB ASP A 149 -4.643 3.046 12.961 1.00 12.33 C ATOM 704 CG ASP A 149 -5.393 2.354 14.093 1.00 11.19 C ATOM 705 OD1 ASP A 149 -6.542 2.722 14.414 1.00 11.24 O ATOM 706 OD2 ASP A 149 -4.811 1.407 14.658 1.00 10.59 O ATOM 707 H ASP A 149 -5.902 5.291 14.350 1.00 0.00 H ATOM 708 N ASN A 150 -7.682 4.868 12.215 1.00 17.56 N ATOM 709 CA ASN A 150 -9.020 4.721 11.623 1.00 17.74 C ATOM 710 C ASN A 150 -9.842 3.552 12.179 1.00 19.92 C ATOM 711 O ASN A 150 -10.942 3.276 11.694 1.00 19.91 O ATOM 712 CB ASN A 150 -8.907 4.577 10.099 1.00 22.66 C ATOM 713 CG ASN A 150 -9.946 5.379 9.355 1.00 30.13 C ATOM 714 OD1 ASN A 150 -10.733 6.111 9.956 1.00 31.47 O ATOM 715 ND2 ASN A 150 -9.966 5.233 8.034 1.00 35.52 N ATOM 716 HD22 ASN A 150 -9.281 4.603 7.570 1.00 0.00 H ATOM 717 HD21 ASN A 150 -10.667 5.749 7.464 1.00 0.00 H ATOM 718 H ASN A 150 -7.500 5.657 12.867 1.00 0.00 H ATOM 719 N SER A 151 -9.311 2.871 13.191 1.00 14.14 N ATOM 720 CA SER A 151 -10.056 1.839 13.912 1.00 12.78 C ATOM 721 C SER A 151 -10.067 2.168 15.396 1.00 12.59 C ATOM 722 O SER A 151 -9.288 1.631 16.181 1.00 11.68 O ATOM 723 CB SER A 151 -9.463 0.448 13.675 1.00 18.21 C ATOM 724 OG SER A 151 -9.874 -0.053 12.415 1.00 22.44 O ATOM 725 HG SER A 151 -9.484 -0.952 12.275 1.00 0.00 H ATOM 726 H SER A 151 -8.334 3.079 13.479 1.00 0.00 H ATOM 727 N PRO A 152 -10.959 3.070 15.794 1.00 10.88 N ATOM 728 CA PRO A 152 -10.984 3.526 17.185 1.00 8.92 C ATOM 729 C PRO A 152 -11.355 2.427 18.170 1.00 9.62 C ATOM 730 O PRO A 152 -12.182 1.556 17.856 1.00 10.81 O ATOM 731 CB PRO A 152 -12.062 4.619 17.170 1.00 12.81 C ATOM 732 CG PRO A 152 -12.966 4.230 16.030 1.00 18.35 C ATOM 733 CD PRO A 152 -12.042 3.668 14.987 1.00 15.23 C ATOM 734 N PHE A 153 -10.750 2.453 19.352 1.00 8.20 N ATOM 735 CA PHE A 153 -11.256 1.630 20.447 1.00 8.77 C ATOM 736 C PHE A 153 -12.528 2.243 21.051 1.00 9.45 C ATOM 737 O PHE A 153 -12.954 3.334 20.668 1.00 9.30 O ATOM 738 CB PHE A 153 -10.177 1.418 21.508 1.00 7.31 C ATOM 739 CG PHE A 153 -9.084 0.495 21.062 1.00 6.88 C ATOM 740 CD1 PHE A 153 -9.372 -0.712 20.436 1.00 8.35 C ATOM 741 CD2 PHE A 153 -7.761 0.845 21.252 1.00 8.97 C ATOM 742 CE1 PHE A 153 -8.342 -1.567 20.028 1.00 7.82 C ATOM 743 CE2 PHE A 153 -6.742 -0.004 20.850 1.00 8.27 C ATOM 744 CZ PHE A 153 -7.028 -1.197 20.238 1.00 7.80 C ATOM 745 H PHE A 153 -9.917 3.059 19.498 1.00 0.00 H ATOM 746 N ASP A 154 -13.132 1.520 21.986 1.00 7.77 N ATOM 747 CA ASP A 154 -14.526 1.742 22.365 1.00 8.31 C ATOM 748 C ASP A 154 -14.764 1.828 23.872 1.00 9.24 C ATOM 749 O ASP A 154 -15.895 1.682 24.333 1.00 9.35 O ATOM 750 CB ASP A 154 -15.412 0.628 21.760 1.00 8.13 C ATOM 751 CG ASP A 154 -15.005 -0.783 22.210 1.00 8.47 C ATOM 752 OD1 ASP A 154 -13.948 -0.947 22.861 1.00 7.42 O ATOM 753 OD2 ASP A 154 -15.744 -1.741 21.891 1.00 9.07 O ATOM 754 H ASP A 154 -12.595 0.770 22.465 1.00 0.00 H ATOM 755 N GLY A 155 -13.729 2.092 24.651 1.00 9.52 N ATOM 756 CA GLY A 155 -13.882 2.123 26.094 1.00 9.88 C ATOM 757 C GLY A 155 -13.883 0.731 26.697 1.00 8.72 C ATOM 758 O GLY A 155 -13.625 -0.251 25.996 1.00 9.23 O ATOM 759 H GLY A 155 -12.798 2.279 24.227 1.00 0.00 H ATOM 760 N PRO A 156 -14.167 0.631 28.003 1.00 9.39 N ATOM 761 CA PRO A 156 -14.131 -0.650 28.721 1.00 10.33 C ATOM 762 C PRO A 156 -14.962 -1.736 28.035 1.00 9.11 C ATOM 763 O PRO A 156 -16.074 -1.471 27.557 1.00 10.45 O ATOM 764 CB PRO A 156 -14.715 -0.300 30.090 1.00 13.03 C ATOM 765 CG PRO A 156 -14.396 1.152 30.263 1.00 15.74 C ATOM 766 CD PRO A 156 -14.506 1.758 28.891 1.00 12.48 C ATOM 767 N ASN A 157 -14.405 -2.944 27.991 1.00 9.92 N ATOM 768 CA ASN A 157 -15.022 -4.118 27.355 1.00 9.68 C ATOM 769 C ASN A 157 -15.167 -3.968 25.841 1.00 10.06 C ATOM 770 O ASN A 157 -14.516 -3.123 25.237 1.00 10.00 O ATOM 771 CB ASN A 157 -16.370 -4.418 28.016 1.00 10.64 C ATOM 772 CG ASN A 157 -16.245 -4.507 29.516 1.00 12.73 C ATOM 773 OD1 ASN A 157 -15.543 -5.378 30.036 1.00 14.09 O ATOM 774 ND2 ASN A 157 -16.901 -3.592 30.226 1.00 16.59 N ATOM 775 HD22 ASN A 157 -17.481 -2.877 29.743 1.00 0.00 H ATOM 776 HD21 ASN A 157 -16.833 -3.592 31.264 1.00 0.00 H ATOM 777 H ASN A 157 -13.473 -3.066 28.435 1.00 0.00 H ATOM 778 N GLY A 158 -15.997 -4.794 25.212 1.00 9.32 N ATOM 779 CA GLY A 158 -16.118 -4.738 23.766 1.00 7.80 C ATOM 780 C GLY A 158 -14.822 -5.135 23.065 1.00 8.84 C ATOM 781 O GLY A 158 -14.273 -6.204 23.341 1.00 9.53 O ATOM 782 H GLY A 158 -16.559 -5.480 25.755 1.00 0.00 H ATOM 783 N ILE A 159 -14.347 -4.285 22.153 1.00 8.70 N ATOM 784 CA ILE A 159 -13.059 -4.490 21.490 1.00 8.91 C ATOM 785 C ILE A 159 -11.947 -4.387 22.524 1.00 9.50 C ATOM 786 O ILE A 159 -11.822 -3.375 23.197 1.00 8.63 O ATOM 787 CB ILE A 159 -12.816 -3.450 20.373 1.00 10.43 C ATOM 788 CG1 ILE A 159 -13.973 -3.476 19.373 1.00 13.56 C ATOM 789 CG2 ILE A 159 -11.449 -3.672 19.682 1.00 10.54 C ATOM 790 CD1 ILE A 159 -14.142 -4.801 18.692 1.00 20.49 C ATOM 791 H ILE A 159 -14.912 -3.448 21.905 1.00 0.00 H ATOM 792 N LEU A 160 -11.141 -5.432 22.669 1.00 8.87 N ATOM 793 CA LEU A 160 -10.065 -5.383 23.654 1.00 7.80 C ATOM 794 C LEU A 160 -8.727 -4.949 23.051 1.00 7.39 C ATOM 795 O LEU A 160 -7.886 -4.379 23.739 1.00 7.68 O ATOM 796 CB LEU A 160 -9.883 -6.748 24.311 1.00 8.76 C ATOM 797 CG LEU A 160 -11.165 -7.355 24.882 1.00 7.60 C ATOM 798 CD1 LEU A 160 -10.832 -8.720 25.445 1.00 11.99 C ATOM 799 CD2 LEU A 160 -11.774 -6.437 25.944 1.00 8.26 C ATOM 800 H LEU A 160 -11.276 -6.281 22.084 1.00 0.00 H ATOM 801 N ALA A 161 -8.548 -5.236 21.765 1.00 7.45 N ATOM 802 CA ALA A 161 -7.273 -5.067 21.070 1.00 6.48 C ATOM 803 C ALA A 161 -7.494 -5.322 19.584 1.00 8.33 C ATOM 804 O ALA A 161 -8.537 -5.836 19.182 1.00 8.18 O ATOM 805 CB ALA A 161 -6.212 -6.015 21.641 1.00 8.28 C ATOM 806 H ALA A 161 -9.359 -5.600 21.225 1.00 0.00 H ATOM 807 N HIS A 162 -6.529 -4.948 18.756 1.00 7.20 N ATOM 808 CA HIS A 162 -6.544 -5.358 17.354 1.00 7.43 C ATOM 809 C HIS A 162 -5.133 -5.365 16.811 1.00 7.55 C ATOM 810 O HIS A 162 -4.221 -4.824 17.436 1.00 7.01 O ATOM 811 CB HIS A 162 -7.482 -4.474 16.494 1.00 8.49 C ATOM 812 CG HIS A 162 -7.163 -3.012 16.498 1.00 7.94 C ATOM 813 ND1 HIS A 162 -8.153 -2.053 16.490 1.00 8.94 N ATOM 814 CD2 HIS A 162 -5.987 -2.342 16.470 1.00 7.87 C ATOM 815 CE1 HIS A 162 -7.601 -0.852 16.483 1.00 9.60 C ATOM 816 NE2 HIS A 162 -6.287 -0.996 16.464 1.00 8.70 N ATOM 817 H HIS A 162 -5.751 -4.355 19.109 1.00 0.00 H ATOM 818 N ALA A 163 -4.955 -5.986 15.653 1.00 8.21 N ATOM 819 CA ALA A 163 -3.638 -6.054 15.024 1.00 7.66 C ATOM 820 C ALA A 163 -3.742 -6.051 13.514 1.00 9.10 C ATOM 821 O ALA A 163 -4.779 -6.382 12.941 1.00 13.66 O ATOM 822 CB ALA A 163 -2.872 -7.291 15.497 1.00 9.60 C ATOM 823 H ALA A 163 -5.768 -6.433 15.184 1.00 0.00 H ATOM 824 N PHE A 164 -2.636 -5.697 12.875 1.00 9.06 N ATOM 825 CA PHE A 164 -2.575 -5.581 11.435 1.00 10.66 C ATOM 826 C PHE A 164 -1.804 -6.737 10.828 1.00 10.55 C ATOM 827 O PHE A 164 -0.830 -7.213 11.411 1.00 9.12 O ATOM 828 CB PHE A 164 -1.939 -4.250 11.054 1.00 9.49 C ATOM 829 CG PHE A 164 -2.757 -3.069 11.467 1.00 12.81 C ATOM 830 CD1 PHE A 164 -3.653 -2.504 10.579 1.00 14.82 C ATOM 831 CD2 PHE A 164 -2.659 -2.544 12.748 1.00 11.10 C ATOM 832 CE1 PHE A 164 -4.427 -1.421 10.946 1.00 17.97 C ATOM 833 CE2 PHE A 164 -3.443 -1.463 13.125 1.00 14.14 C ATOM 834 CZ PHE A 164 -4.319 -0.899 12.217 1.00 17.97 C ATOM 835 H PHE A 164 -1.780 -5.495 13.430 1.00 0.00 H ATOM 836 N GLN A 165 -2.228 -7.162 9.644 1.00 11.23 N ATOM 837 CA GLN A 165 -1.589 -8.261 8.927 1.00 10.26 C ATOM 838 C GLN A 165 -0.129 -7.946 8.590 1.00 10.45 C ATOM 839 O GLN A 165 0.276 -6.776 8.584 1.00 11.10 O ATOM 840 CB GLN A 165 -2.383 -8.561 7.651 1.00 14.05 C ATOM 841 CG GLN A 165 -2.258 -7.497 6.579 1.00 20.89 C ATOM 842 CD GLN A 165 -3.211 -7.733 5.425 1.00 25.28 C ATOM 843 OE1 GLN A 165 -4.397 -7.996 5.632 1.00 32.58 O ATOM 844 NE2 GLN A 165 -2.699 -7.650 4.202 1.00 29.19 N ATOM 845 HE22 GLN A 165 -1.692 -7.425 4.074 1.00 0.00 H ATOM 846 HE21 GLN A 165 -3.306 -7.810 3.372 1.00 0.00 H ATOM 847 H GLN A 165 -3.048 -6.693 9.210 1.00 0.00 H ATOM 848 N PRO A 166 0.670 -8.982 8.298 1.00 10.50 N ATOM 849 CA PRO A 166 2.073 -8.753 7.935 1.00 11.32 C ATOM 850 C PRO A 166 2.232 -7.727 6.821 1.00 10.92 C ATOM 851 O PRO A 166 1.465 -7.724 5.848 1.00 12.81 O ATOM 852 CB PRO A 166 2.541 -10.127 7.465 1.00 11.91 C ATOM 853 CG PRO A 166 1.689 -11.095 8.241 1.00 10.63 C ATOM 854 CD PRO A 166 0.333 -10.421 8.328 1.00 10.74 C ATOM 855 N GLY A 167 3.232 -6.869 6.966 1.00 12.91 N ATOM 856 CA GLY A 167 3.492 -5.835 5.984 1.00 14.84 C ATOM 857 C GLY A 167 4.395 -4.780 6.576 1.00 14.69 C ATOM 858 O GLY A 167 4.712 -4.818 7.765 1.00 13.84 O ATOM 859 H GLY A 167 3.844 -6.939 7.804 1.00 0.00 H ATOM 860 N GLN A 168 4.816 -3.837 5.741 1.00 16.89 N ATOM 861 CA GLN A 168 5.636 -2.725 6.192 1.00 17.79 C ATOM 862 C GLN A 168 4.804 -1.724 6.981 1.00 13.33 C ATOM 863 O GLN A 168 3.570 -1.750 6.926 1.00 16.03 O ATOM 864 CB GLN A 168 6.290 -2.026 4.998 1.00 21.17 C ATOM 865 CG GLN A 168 7.134 -2.928 4.121 1.00 27.72 C ATOM 866 CD GLN A 168 7.990 -2.142 3.146 1.00 30.22 C ATOM 867 OE1 GLN A 168 9.084 -1.691 3.487 1.00 35.60 O ATOM 868 NE2 GLN A 168 7.493 -1.970 1.927 1.00 35.55 N ATOM 869 HE22 GLN A 168 6.564 -2.369 1.683 1.00 0.00 H ATOM 870 HE21 GLN A 168 8.033 -1.436 1.216 1.00 0.00 H ATOM 871 H GLN A 168 4.552 -3.896 4.737 1.00 0.00 H ATOM 872 N GLY A 169 5.480 -0.839 7.704 1.00 17.14 N ATOM 873 CA GLY A 169 4.801 0.220 8.429 1.00 16.69 C ATOM 874 C GLY A 169 3.922 -0.325 9.534 1.00 14.85 C ATOM 875 O GLY A 169 4.397 -1.060 10.401 1.00 15.69 O ATOM 876 H GLY A 169 6.517 -0.906 7.752 1.00 0.00 H ATOM 877 N ILE A 170 2.638 0.022 9.497 1.00 12.18 N ATOM 878 CA ILE A 170 1.710 -0.421 10.529 1.00 14.00 C ATOM 879 C ILE A 170 1.474 -1.937 10.467 1.00 13.08 C ATOM 880 O ILE A 170 0.972 -2.522 11.421 1.00 11.33 O ATOM 881 CB ILE A 170 0.354 0.335 10.436 1.00 14.75 C ATOM 882 CG1 ILE A 170 -0.382 0.274 11.775 1.00 16.61 C ATOM 883 CG2 ILE A 170 -0.501 -0.215 9.309 1.00 16.84 C ATOM 884 CD1 ILE A 170 -1.556 1.202 11.857 1.00 20.05 C ATOM 885 H ILE A 170 2.291 0.619 8.719 1.00 0.00 H ATOM 886 N GLY A 171 1.848 -2.571 9.356 1.00 10.50 N ATOM 887 CA GLY A 171 1.730 -4.016 9.228 1.00 10.95 C ATOM 888 C GLY A 171 2.351 -4.716 10.423 1.00 9.16 C ATOM 889 O GLY A 171 3.419 -4.338 10.897 1.00 10.42 O ATOM 890 H GLY A 171 2.233 -2.020 8.562 1.00 0.00 H ATOM 891 N GLY A 172 1.650 -5.718 10.944 1.00 8.92 N ATOM 892 CA GLY A 172 2.129 -6.447 12.106 1.00 10.26 C ATOM 893 C GLY A 172 1.818 -5.811 13.453 1.00 8.06 C ATOM 894 O GLY A 172 1.842 -6.495 14.470 1.00 9.17 O ATOM 895 H GLY A 172 0.742 -5.985 10.512 1.00 0.00 H ATOM 896 N ASP A 173 1.539 -4.512 13.482 1.00 8.01 N ATOM 897 CA ASP A 173 1.434 -3.825 14.764 1.00 8.13 C ATOM 898 C ASP A 173 0.208 -4.277 15.547 1.00 7.53 C ATOM 899 O ASP A 173 -0.815 -4.650 14.964 1.00 9.12 O ATOM 900 CB ASP A 173 1.395 -2.319 14.552 1.00 9.17 C ATOM 901 CG ASP A 173 2.734 -1.760 14.120 1.00 10.67 C ATOM 902 OD1 ASP A 173 3.696 -2.535 13.897 1.00 10.65 O ATOM 903 OD2 ASP A 173 2.829 -0.523 13.998 1.00 10.38 O ATOM 904 H ASP A 173 1.396 -3.988 12.595 1.00 0.00 H ATOM 905 N ALA A 174 0.328 -4.241 16.868 1.00 7.92 N ATOM 906 CA ALA A 174 -0.738 -4.675 17.757 1.00 7.88 C ATOM 907 C ALA A 174 -1.047 -3.588 18.771 1.00 6.67 C ATOM 908 O ALA A 174 -0.156 -3.106 19.482 1.00 7.92 O ATOM 909 CB ALA A 174 -0.360 -5.985 18.468 1.00 8.94 C ATOM 910 H ALA A 174 1.215 -3.890 17.282 1.00 0.00 H ATOM 911 N HIS A 175 -2.320 -3.200 18.834 1.00 6.66 N ATOM 912 CA HIS A 175 -2.780 -2.167 19.756 1.00 6.56 C ATOM 913 C HIS A 175 -3.743 -2.743 20.776 1.00 5.58 C ATOM 914 O HIS A 175 -4.590 -3.564 20.423 1.00 6.93 O ATOM 915 CB HIS A 175 -3.474 -1.035 18.996 1.00 7.86 C ATOM 916 CG HIS A 175 -2.612 -0.398 17.955 1.00 7.41 C ATOM 917 ND1 HIS A 175 -3.134 0.288 16.881 1.00 8.65 N ATOM 918 CD2 HIS A 175 -1.265 -0.352 17.817 1.00 8.35 C ATOM 919 CE1 HIS A 175 -2.144 0.745 16.132 1.00 8.42 C ATOM 920 NE2 HIS A 175 -1.001 0.360 16.671 1.00 8.52 N ATOM 921 H HIS A 175 -3.012 -3.651 18.202 1.00 0.00 H ATOM 922 N PHE A 176 -3.608 -2.313 22.030 1.00 6.52 N ATOM 923 CA PHE A 176 -4.425 -2.811 23.140 1.00 6.77 C ATOM 924 C PHE A 176 -5.212 -1.662 23.738 1.00 6.52 C ATOM 925 O PHE A 176 -4.680 -0.570 23.914 1.00 6.61 O ATOM 926 CB PHE A 176 -3.532 -3.494 24.183 1.00 7.50 C ATOM 927 CG PHE A 176 -2.803 -4.683 23.635 1.00 6.05 C ATOM 928 CD1 PHE A 176 -3.299 -5.962 23.839 1.00 7.23 C ATOM 929 CD2 PHE A 176 -1.652 -4.526 22.867 1.00 6.91 C ATOM 930 CE1 PHE A 176 -2.645 -7.071 23.309 1.00 7.22 C ATOM 931 CE2 PHE A 176 -1.003 -5.627 22.320 1.00 7.73 C ATOM 932 CZ PHE A 176 -1.495 -6.904 22.542 1.00 6.78 C ATOM 933 H PHE A 176 -2.888 -1.589 22.231 1.00 0.00 H ATOM 934 N ASP A 177 -6.488 -1.895 24.024 1.00 6.62 N ATOM 935 CA ASP A 177 -7.341 -0.831 24.534 1.00 7.06 C ATOM 936 C ASP A 177 -6.917 -0.472 25.949 1.00 6.92 C ATOM 937 O ASP A 177 -7.017 -1.284 26.869 1.00 7.18 O ATOM 938 CB ASP A 177 -8.810 -1.272 24.480 1.00 6.54 C ATOM 939 CG ASP A 177 -9.782 -0.143 24.751 1.00 8.39 C ATOM 940 OD1 ASP A 177 -9.392 0.857 25.398 1.00 8.10 O ATOM 941 OD2 ASP A 177 -10.952 -0.286 24.326 1.00 7.31 O ATOM 942 H ASP A 177 -6.882 -2.847 23.882 1.00 0.00 H ATOM 943 N ALA A 178 -6.441 0.759 26.115 1.00 6.81 N ATOM 944 CA ALA A 178 -5.892 1.205 27.386 1.00 7.27 C ATOM 945 C ALA A 178 -6.944 1.359 28.479 1.00 9.30 C ATOM 946 O ALA A 178 -6.601 1.555 29.649 1.00 11.68 O ATOM 947 CB ALA A 178 -5.155 2.517 27.191 1.00 9.31 C ATOM 948 H ALA A 178 -6.462 1.421 25.313 1.00 0.00 H ATOM 949 N GLU A 179 -8.217 1.284 28.102 1.00 7.56 N ATOM 950 CA GLU A 179 -9.294 1.433 29.084 1.00 8.95 C ATOM 951 C GLU A 179 -9.737 0.098 29.690 1.00 12.81 C ATOM 952 O GLU A 179 -10.661 0.063 30.510 1.00 13.78 O ATOM 953 CB GLU A 179 -10.489 2.151 28.459 1.00 9.51 C ATOM 954 CG GLU A 179 -10.215 3.638 28.259 1.00 11.46 C ATOM 955 CD GLU A 179 -11.413 4.393 27.732 1.00 13.09 C ATOM 956 OE1 GLU A 179 -12.355 4.631 28.513 1.00 15.74 O ATOM 957 OE2 GLU A 179 -11.417 4.735 26.537 1.00 12.91 O ATOM 958 H GLU A 179 -8.450 1.118 27.102 1.00 0.00 H ATOM 959 N GLU A 180 -9.081 -0.996 29.306 1.00 9.15 N ATOM 960 CA GLU A 180 -9.402 -2.296 29.894 1.00 9.92 C ATOM 961 C GLU A 180 -8.703 -2.530 31.219 1.00 9.63 C ATOM 962 O GLU A 180 -7.617 -1.999 31.469 1.00 11.78 O ATOM 963 CB GLU A 180 -9.024 -3.449 28.958 1.00 8.11 C ATOM 964 CG GLU A 180 -9.584 -3.374 27.547 1.00 7.66 C ATOM 965 CD GLU A 180 -11.082 -3.215 27.484 1.00 9.90 C ATOM 966 OE1 GLU A 180 -11.799 -3.514 28.465 1.00 11.47 O ATOM 967 OE2 GLU A 180 -11.540 -2.781 26.424 1.00 9.29 O ATOM 968 H GLU A 180 -8.336 -0.925 28.584 1.00 0.00 H ATOM 969 N THR A 181 -9.315 -3.375 32.047 1.00 13.47 N ATOM 970 CA THR A 181 -8.602 -3.970 33.158 1.00 13.20 C ATOM 971 C THR A 181 -7.754 -5.084 32.555 1.00 11.40 C ATOM 972 O THR A 181 -8.276 -6.044 31.996 1.00 17.76 O ATOM 973 CB THR A 181 -9.554 -4.516 34.252 1.00 13.72 C ATOM 974 OG1 THR A 181 -8.816 -5.305 35.193 1.00 28.41 O ATOM 975 CG2 THR A 181 -10.660 -5.358 33.657 1.00 19.30 C ATOM 976 HG1 THR A 181 -9.432 -5.649 35.888 1.00 0.00 H ATOM 977 H THR A 181 -10.316 -3.610 31.894 1.00 0.00 H ATOM 978 N TRP A 182 -6.443 -4.915 32.602 1.00 9.84 N ATOM 979 CA TRP A 182 -5.516 -5.919 32.104 1.00 8.12 C ATOM 980 C TRP A 182 -4.955 -6.689 33.281 1.00 9.84 C ATOM 981 O TRP A 182 -4.568 -6.099 34.291 1.00 12.82 O ATOM 982 CB TRP A 182 -4.392 -5.259 31.297 1.00 10.63 C ATOM 983 CG TRP A 182 -4.880 -4.664 29.999 1.00 8.03 C ATOM 984 CD1 TRP A 182 -4.952 -3.330 29.666 1.00 9.33 C ATOM 985 CD2 TRP A 182 -5.381 -5.384 28.873 1.00 8.29 C ATOM 986 NE1 TRP A 182 -5.461 -3.193 28.397 1.00 8.86 N ATOM 987 CE2 TRP A 182 -5.730 -4.437 27.886 1.00 8.62 C ATOM 988 CE3 TRP A 182 -5.561 -6.744 28.600 1.00 8.17 C ATOM 989 CZ2 TRP A 182 -6.260 -4.808 26.655 1.00 8.69 C ATOM 990 CZ3 TRP A 182 -6.082 -7.110 27.381 1.00 7.46 C ATOM 991 CH2 TRP A 182 -6.429 -6.149 26.416 1.00 7.80 C ATOM 992 HE1 TRP A 182 -5.617 -2.291 27.903 1.00 0.00 H ATOM 993 H TRP A 182 -6.063 -4.036 33.008 1.00 0.00 H ATOM 994 N THR A 183 -4.930 -8.010 33.162 1.00 9.01 N ATOM 995 CA THR A 183 -4.483 -8.852 34.269 1.00 9.52 C ATOM 996 C THR A 183 -3.490 -9.901 33.819 1.00 9.75 C ATOM 997 O THR A 183 -3.288 -10.115 32.623 1.00 9.13 O ATOM 998 CB THR A 183 -5.647 -9.616 34.928 1.00 10.00 C ATOM 999 OG1 THR A 183 -5.989 -10.731 34.096 1.00 11.08 O ATOM 1000 CG2 THR A 183 -6.867 -8.711 35.142 1.00 12.86 C ATOM 1001 HG1 THR A 183 -6.737 -11.232 34.508 1.00 0.00 H ATOM 1002 H THR A 183 -5.232 -8.451 32.270 1.00 0.00 H ATOM 1003 N ASN A 184 -2.886 -10.580 34.786 1.00 10.10 N ATOM 1004 CA ASN A 184 -2.209 -11.829 34.491 1.00 11.59 C ATOM 1005 C ASN A 184 -2.816 -12.944 35.347 1.00 12.16 C ATOM 1006 O ASN A 184 -2.125 -13.838 35.833 1.00 12.79 O ATOM 1007 CB ASN A 184 -0.695 -11.703 34.702 1.00 11.39 C ATOM 1008 CG ASN A 184 -0.330 -11.137 36.054 1.00 11.02 C ATOM 1009 OD1 ASN A 184 -1.156 -11.053 36.962 1.00 15.23 O ATOM 1010 ND2 ASN A 184 0.931 -10.749 36.196 1.00 15.13 N ATOM 1011 HD22 ASN A 184 1.595 -10.838 35.401 1.00 0.00 H ATOM 1012 HD21 ASN A 184 1.255 -10.355 37.102 1.00 0.00 H ATOM 1013 H ASN A 184 -2.898 -10.215 35.760 1.00 0.00 H ATOM 1014 N THR A 185 -4.131 -12.869 35.521 1.00 11.02 N ATOM 1015 CA THR A 185 -4.876 -13.862 36.285 1.00 13.34 C ATOM 1016 C THR A 185 -6.047 -14.346 35.449 1.00 9.67 C ATOM 1017 O THR A 185 -6.096 -14.107 34.249 1.00 10.80 O ATOM 1018 CB THR A 185 -5.399 -13.288 37.612 1.00 14.68 C ATOM 1019 OG1 THR A 185 -6.378 -12.273 37.349 1.00 13.26 O ATOM 1020 CG2 THR A 185 -4.260 -12.692 38.429 1.00 15.40 C ATOM 1021 HG1 THR A 185 -6.711 -11.907 38.207 1.00 0.00 H ATOM 1022 H THR A 185 -4.648 -12.073 35.097 1.00 0.00 H ATOM 1023 N SER A 186 -7.007 -15.009 36.087 1.00 11.36 N ATOM 1024 CA SER A 186 -8.203 -15.442 35.379 1.00 11.32 C ATOM 1025 C SER A 186 -9.282 -14.354 35.315 1.00 11.69 C ATOM 1026 O SER A 186 -10.316 -14.540 34.666 1.00 12.76 O ATOM 1027 CB SER A 186 -8.760 -16.709 36.030 1.00 13.34 C ATOM 1028 OG SER A 186 -9.172 -16.434 37.353 1.00 12.69 O ATOM 1029 HG SER A 186 -9.530 -17.260 37.764 1.00 0.00 H ATOM 1030 H SER A 186 -6.903 -15.220 37.100 1.00 0.00 H ATOM 1031 N ALA A 187 -9.035 -13.222 35.973 1.00 10.76 N ATOM 1032 CA ALA A 187 -9.967 -12.095 35.901 1.00 10.73 C ATOM 1033 C ALA A 187 -9.869 -11.403 34.546 1.00 14.15 C ATOM 1034 O ALA A 187 -8.813 -11.387 33.919 1.00 11.39 O ATOM 1035 CB ALA A 187 -9.718 -11.103 37.029 1.00 14.18 C ATOM 1036 H ALA A 187 -8.170 -13.138 36.544 1.00 0.00 H ATOM 1037 N ASN A 188 -10.954 -10.773 34.122 1.00 12.79 N ATOM 1038 CA ASN A 188 -11.120 -10.470 32.710 1.00 14.22 C ATOM 1039 C ASN A 188 -10.022 -9.722 31.988 1.00 26.84 C ATOM 1040 O ASN A 188 -9.500 -8.694 32.404 1.00 16.05 O ATOM 1041 CB ASN A 188 -12.446 -9.756 32.499 1.00 15.45 C ATOM 1042 CG ASN A 188 -13.481 -10.701 31.969 1.00 17.46 C ATOM 1043 OD1 ASN A 188 -13.190 -11.888 31.807 1.00 16.85 O ATOM 1044 ND2 ASN A 188 -14.685 -10.205 31.695 1.00 18.40 N ATOM 1045 HD22 ASN A 188 -14.879 -9.195 31.850 1.00 0.00 H ATOM 1046 HD21 ASN A 188 -15.432 -10.827 31.326 1.00 0.00 H ATOM 1047 H ASN A 188 -11.690 -10.494 34.802 1.00 0.00 H ATOM 1048 N TYR A 189 -9.678 -10.326 30.867 1.00 24.54 N ATOM 1049 CA TYR A 189 -8.735 -9.796 29.918 1.00 18.98 C ATOM 1050 C TYR A 189 -7.362 -9.891 30.558 1.00 9.66 C ATOM 1051 O TYR A 189 -6.658 -8.956 30.981 1.00 11.24 O ATOM 1052 CB TYR A 189 -9.136 -8.424 29.449 1.00 12.38 C ATOM 1053 CG TYR A 189 -10.640 -8.296 29.285 1.00 10.19 C ATOM 1054 CD1 TYR A 189 -11.260 -7.132 29.648 1.00 10.71 C ATOM 1055 CD2 TYR A 189 -11.434 -9.344 28.796 1.00 11.80 C ATOM 1056 CE1 TYR A 189 -12.613 -6.972 29.524 1.00 12.28 C ATOM 1057 CE2 TYR A 189 -12.809 -9.203 28.681 1.00 12.34 C ATOM 1058 CZ TYR A 189 -13.385 -8.002 29.049 1.00 11.82 C ATOM 1059 OH TYR A 189 -14.741 -7.794 28.946 1.00 14.06 O ATOM 1060 HH TYR A 189 -14.958 -6.879 29.256 1.00 0.00 H ATOM 1061 H TYR A 189 -10.117 -11.245 30.655 1.00 0.00 H ATOM 1062 N ASN A 190 -7.018 -11.149 30.612 1.00 8.59 N ATOM 1063 CA ASN A 190 -5.662 -11.580 30.674 1.00 7.40 C ATOM 1064 C ASN A 190 -4.893 -11.064 29.461 1.00 8.30 C ATOM 1065 O ASN A 190 -5.218 -11.388 28.318 1.00 7.73 O ATOM 1066 CB ASN A 190 -5.671 -13.094 30.719 1.00 9.08 C ATOM 1067 CG ASN A 190 -4.315 -13.662 30.932 1.00 8.74 C ATOM 1068 OD1 ASN A 190 -3.520 -13.761 29.994 1.00 9.17 O ATOM 1069 ND2 ASN A 190 -4.022 -14.048 32.178 1.00 10.72 N ATOM 1070 HD22 ASN A 190 -4.728 -13.943 32.934 1.00 0.00 H ATOM 1071 HD21 ASN A 190 -3.088 -14.453 32.391 1.00 0.00 H ATOM 1072 H ASN A 190 -7.768 -11.869 30.610 1.00 0.00 H ATOM 1073 N LEU A 191 -3.882 -10.242 29.718 1.00 7.71 N ATOM 1074 CA LEU A 191 -3.122 -9.599 28.651 1.00 7.42 C ATOM 1075 C LEU A 191 -2.365 -10.607 27.796 1.00 6.86 C ATOM 1076 O LEU A 191 -2.343 -10.487 26.569 1.00 7.55 O ATOM 1077 CB LEU A 191 -2.152 -8.566 29.234 1.00 8.12 C ATOM 1078 CG LEU A 191 -1.211 -7.890 28.240 1.00 8.59 C ATOM 1079 CD1 LEU A 191 -1.984 -7.107 27.206 1.00 8.74 C ATOM 1080 CD2 LEU A 191 -0.244 -6.972 28.980 1.00 8.43 C ATOM 1081 H LEU A 191 -3.625 -10.051 30.707 1.00 0.00 H ATOM 1082 N PHE A 192 -1.759 -11.603 28.436 1.00 7.69 N ATOM 1083 CA PHE A 192 -1.039 -12.647 27.707 1.00 7.73 C ATOM 1084 C PHE A 192 -1.938 -13.324 26.659 1.00 7.12 C ATOM 1085 O PHE A 192 -1.546 -13.496 25.496 1.00 6.55 O ATOM 1086 CB PHE A 192 -0.461 -13.671 28.699 1.00 8.12 C ATOM 1087 CG PHE A 192 -0.184 -15.028 28.094 1.00 8.21 C ATOM 1088 CD1 PHE A 192 0.869 -15.215 27.217 1.00 8.71 C ATOM 1089 CD2 PHE A 192 -0.981 -16.112 28.404 1.00 10.23 C ATOM 1090 CE1 PHE A 192 1.133 -16.457 26.664 1.00 9.28 C ATOM 1091 CE2 PHE A 192 -0.735 -17.362 27.854 1.00 11.06 C ATOM 1092 CZ PHE A 192 0.314 -17.533 26.968 1.00 8.38 C ATOM 1093 H PHE A 192 -1.798 -11.640 29.475 1.00 0.00 H ATOM 1094 N LEU A 193 -3.143 -13.701 27.055 1.00 7.68 N ATOM 1095 CA LEU A 193 -4.035 -14.374 26.124 1.00 8.00 C ATOM 1096 C LEU A 193 -4.480 -13.455 25.000 1.00 7.07 C ATOM 1097 O LEU A 193 -4.515 -13.883 23.849 1.00 7.48 O ATOM 1098 CB LEU A 193 -5.255 -14.939 26.852 1.00 9.68 C ATOM 1099 CG LEU A 193 -4.992 -16.073 27.843 1.00 10.54 C ATOM 1100 CD1 LEU A 193 -6.274 -16.417 28.591 1.00 10.69 C ATOM 1101 CD2 LEU A 193 -4.394 -17.297 27.149 1.00 12.51 C ATOM 1102 H LEU A 193 -3.452 -13.516 28.031 1.00 0.00 H ATOM 1103 N VAL A 194 -4.799 -12.205 25.310 1.00 7.83 N ATOM 1104 CA VAL A 194 -5.233 -11.301 24.253 1.00 7.83 C ATOM 1105 C VAL A 194 -4.070 -11.009 23.303 1.00 6.61 C ATOM 1106 O VAL A 194 -4.245 -11.016 22.084 1.00 6.58 O ATOM 1107 CB VAL A 194 -5.817 -10.000 24.828 1.00 7.19 C ATOM 1108 CG1 VAL A 194 -6.082 -8.994 23.721 1.00 8.67 C ATOM 1109 CG2 VAL A 194 -7.106 -10.323 25.573 1.00 9.41 C ATOM 1110 H VAL A 194 -4.740 -11.875 26.294 1.00 0.00 H ATOM 1111 N ALA A 195 -2.881 -10.803 23.857 1.00 6.22 N ATOM 1112 CA ALA A 195 -1.703 -10.543 23.031 1.00 7.81 C ATOM 1113 C ALA A 195 -1.393 -11.737 22.126 1.00 6.77 C ATOM 1114 O ALA A 195 -1.080 -11.579 20.945 1.00 6.84 O ATOM 1115 CB ALA A 195 -0.509 -10.224 23.905 1.00 7.46 C ATOM 1116 H ALA A 195 -2.786 -10.827 24.892 1.00 0.00 H ATOM 1117 N ALA A 196 -1.527 -12.947 22.663 1.00 6.50 N ATOM 1118 CA ALA A 196 -1.275 -14.129 21.845 1.00 7.23 C ATOM 1119 C ALA A 196 -2.233 -14.208 20.653 1.00 7.03 C ATOM 1120 O ALA A 196 -1.829 -14.522 19.534 1.00 7.41 O ATOM 1121 CB ALA A 196 -1.371 -15.383 22.695 1.00 9.88 C ATOM 1122 H ALA A 196 -1.809 -13.050 23.659 1.00 0.00 H ATOM 1123 N HIS A 197 -3.504 -13.897 20.886 1.00 6.58 N ATOM 1124 CA HIS A 197 -4.466 -13.831 19.802 1.00 6.91 C ATOM 1125 C HIS A 197 -4.065 -12.770 18.764 1.00 6.15 C ATOM 1126 O HIS A 197 -4.044 -13.027 17.563 1.00 7.46 O ATOM 1127 CB HIS A 197 -5.851 -13.532 20.392 1.00 8.26 C ATOM 1128 CG HIS A 197 -6.922 -13.274 19.376 1.00 6.94 C ATOM 1129 ND1 HIS A 197 -7.873 -14.219 19.045 1.00 9.66 N ATOM 1130 CD2 HIS A 197 -7.215 -12.173 18.643 1.00 7.28 C ATOM 1131 CE1 HIS A 197 -8.694 -13.711 18.140 1.00 10.08 C ATOM 1132 NE2 HIS A 197 -8.321 -12.471 17.883 1.00 9.81 N ATOM 1133 H HIS A 197 -3.813 -13.698 21.859 1.00 0.00 H ATOM 1134 N GLU A 198 -3.764 -11.563 19.225 1.00 6.03 N ATOM 1135 CA GLU A 198 -3.426 -10.490 18.299 1.00 6.53 C ATOM 1136 C GLU A 198 -2.194 -10.821 17.477 1.00 7.86 C ATOM 1137 O GLU A 198 -2.137 -10.539 16.271 1.00 6.73 O ATOM 1138 CB GLU A 198 -3.226 -9.175 19.058 1.00 6.57 C ATOM 1139 CG GLU A 198 -4.493 -8.684 19.787 1.00 8.32 C ATOM 1140 CD GLU A 198 -5.740 -8.609 18.912 1.00 9.16 C ATOM 1141 OE1 GLU A 198 -5.615 -8.455 17.674 1.00 9.99 O ATOM 1142 OE2 GLU A 198 -6.859 -8.692 19.488 1.00 11.18 O ATOM 1143 H GLU A 198 -3.769 -11.382 20.249 1.00 0.00 H ATOM 1144 N PHE A 199 -1.199 -11.424 18.117 1.00 7.23 N ATOM 1145 CA PHE A 199 0.011 -11.777 17.381 1.00 6.43 C ATOM 1146 C PHE A 199 -0.266 -12.829 16.295 1.00 7.14 C ATOM 1147 O PHE A 199 0.432 -12.847 15.279 1.00 7.43 O ATOM 1148 CB PHE A 199 1.100 -12.241 18.345 1.00 6.48 C ATOM 1149 CG PHE A 199 1.576 -11.163 19.295 1.00 6.83 C ATOM 1150 CD1 PHE A 199 1.379 -9.815 19.023 1.00 9.38 C ATOM 1151 CD2 PHE A 199 2.250 -11.518 20.452 1.00 8.44 C ATOM 1152 CE1 PHE A 199 1.822 -8.861 19.906 1.00 9.12 C ATOM 1153 CE2 PHE A 199 2.696 -10.564 21.331 1.00 7.07 C ATOM 1154 CZ PHE A 199 2.491 -9.239 21.058 1.00 8.09 C ATOM 1155 H PHE A 199 -1.281 -11.642 19.131 1.00 0.00 H ATOM 1156 N GLY A 200 -1.293 -13.671 16.474 1.00 7.43 N ATOM 1157 CA GLY A 200 -1.715 -14.547 15.389 1.00 8.57 C ATOM 1158 C GLY A 200 -2.061 -13.716 14.166 1.00 8.11 C ATOM 1159 O GLY A 200 -1.624 -14.010 13.057 1.00 8.90 O ATOM 1160 H GLY A 200 -1.789 -13.699 17.388 1.00 0.00 H ATOM 1161 N HIS A 201 -2.840 -12.655 14.361 1.00 7.86 N ATOM 1162 CA HIS A 201 -3.133 -11.728 13.264 1.00 8.57 C ATOM 1163 C HIS A 201 -1.870 -11.062 12.706 1.00 6.37 C ATOM 1164 O HIS A 201 -1.699 -10.961 11.487 1.00 9.75 O ATOM 1165 CB HIS A 201 -4.096 -10.621 13.710 1.00 9.40 C ATOM 1166 CG HIS A 201 -5.474 -11.094 14.045 1.00 9.26 C ATOM 1167 ND1 HIS A 201 -6.164 -12.015 13.280 1.00 9.55 N ATOM 1168 CD2 HIS A 201 -6.294 -10.764 15.069 1.00 8.81 C ATOM 1169 CE1 HIS A 201 -7.355 -12.218 13.815 1.00 10.24 C ATOM 1170 NE2 HIS A 201 -7.457 -11.479 14.905 1.00 8.81 N ATOM 1171 H HIS A 201 -3.246 -12.481 15.303 1.00 0.00 H ATOM 1172 N SER A 202 -0.982 -10.613 13.595 1.00 7.02 N ATOM 1173 CA SER A 202 0.282 -10.004 13.167 1.00 7.87 C ATOM 1174 C SER A 202 1.112 -10.916 12.262 1.00 7.77 C ATOM 1175 O SER A 202 1.943 -10.439 11.482 1.00 8.49 O ATOM 1176 CB SER A 202 1.150 -9.635 14.378 1.00 8.73 C ATOM 1177 OG SER A 202 0.493 -8.789 15.295 1.00 9.25 O ATOM 1178 HG SER A 202 0.238 -7.947 14.841 1.00 0.00 H ATOM 1179 H SER A 202 -1.190 -10.696 14.611 1.00 0.00 H ATOM 1180 N LEU A 203 0.911 -12.229 12.407 1.00 7.63 N ATOM 1181 CA LEU A 203 1.666 -13.226 11.653 1.00 7.97 C ATOM 1182 C LEU A 203 0.928 -13.742 10.415 1.00 8.10 C ATOM 1183 O LEU A 203 1.503 -14.462 9.587 1.00 9.80 O ATOM 1184 CB LEU A 203 2.015 -14.394 12.572 1.00 8.24 C ATOM 1185 CG LEU A 203 2.916 -13.949 13.721 1.00 7.53 C ATOM 1186 CD1 LEU A 203 3.132 -15.100 14.693 1.00 11.28 C ATOM 1187 CD2 LEU A 203 4.239 -13.441 13.174 1.00 9.79 C ATOM 1188 H LEU A 203 0.190 -12.553 13.082 1.00 0.00 H ATOM 1189 N GLY A 204 -0.345 -13.375 10.286 1.00 8.92 N ATOM 1190 CA GLY A 204 -1.088 -13.704 9.082 1.00 10.48 C ATOM 1191 C GLY A 204 -2.272 -14.642 9.243 1.00 10.50 C ATOM 1192 O GLY A 204 -2.824 -15.104 8.242 1.00 12.39 O ATOM 1193 H GLY A 204 -0.811 -12.849 11.053 1.00 0.00 H ATOM 1194 N LEU A 205 -2.673 -14.922 10.480 1.00 9.14 N ATOM 1195 CA LEU A 205 -3.821 -15.797 10.734 1.00 9.69 C ATOM 1196 C LEU A 205 -5.105 -14.983 10.841 1.00 9.62 C ATOM 1197 O LEU A 205 -5.100 -13.839 11.314 1.00 10.05 O ATOM 1198 CB LEU A 205 -3.613 -16.613 12.012 1.00 10.88 C ATOM 1199 CG LEU A 205 -2.530 -17.705 12.020 1.00 11.53 C ATOM 1200 CD1 LEU A 205 -1.123 -17.150 11.938 1.00 20.32 C ATOM 1201 CD2 LEU A 205 -2.655 -18.529 13.274 1.00 13.99 C ATOM 1202 H LEU A 205 -2.160 -14.510 11.286 1.00 0.00 H ATOM 1203 N ALA A 206 -6.204 -15.574 10.377 1.00 12.05 N ATOM 1204 CA ALA A 206 -7.531 -15.003 10.576 1.00 11.96 C ATOM 1205 C ALA A 206 -8.202 -15.696 11.753 1.00 11.07 C ATOM 1206 O ALA A 206 -7.583 -16.490 12.461 1.00 11.56 O ATOM 1207 CB ALA A 206 -8.384 -15.135 9.311 1.00 15.14 C ATOM 1208 H ALA A 206 -6.113 -16.470 9.857 1.00 0.00 H ATOM 1209 N HIS A 207 -9.472 -15.389 11.975 1.00 10.95 N ATOM 1210 CA HIS A 207 -10.189 -16.037 13.056 1.00 11.13 C ATOM 1211 C HIS A 207 -10.513 -17.481 12.724 1.00 13.65 C ATOM 1212 O HIS A 207 -10.673 -17.849 11.559 1.00 16.07 O ATOM 1213 CB HIS A 207 -11.471 -15.267 13.392 1.00 12.79 C ATOM 1214 CG HIS A 207 -11.214 -14.002 14.147 1.00 11.86 C ATOM 1215 ND1 HIS A 207 -11.999 -12.881 14.017 1.00 11.46 N ATOM 1216 CD2 HIS A 207 -10.240 -13.678 15.031 1.00 12.22 C ATOM 1217 CE1 HIS A 207 -11.529 -11.922 14.794 1.00 12.27 C ATOM 1218 NE2 HIS A 207 -10.459 -12.381 15.422 1.00 10.19 N ATOM 1219 H HIS A 207 -9.952 -14.687 11.377 1.00 0.00 H ATOM 1220 N SER A 208 -10.599 -18.288 13.773 1.00 11.69 N ATOM 1221 CA SER A 208 -10.983 -19.686 13.683 1.00 10.53 C ATOM 1222 C SER A 208 -12.394 -19.895 14.218 1.00 13.94 C ATOM 1223 O SER A 208 -12.819 -19.188 15.127 1.00 12.30 O ATOM 1224 CB SER A 208 -10.003 -20.538 14.477 1.00 10.17 C ATOM 1225 OG SER A 208 -10.412 -21.897 14.512 1.00 12.66 O ATOM 1226 HG SER A 208 -9.757 -22.424 15.034 1.00 0.00 H ATOM 1227 H SER A 208 -10.379 -17.898 14.712 1.00 0.00 H ATOM 1228 N SER A 209 -13.105 -20.874 13.662 1.00 13.51 N ATOM 1229 CA SER A 209 -14.430 -21.255 14.161 1.00 16.04 C ATOM 1230 C SER A 209 -14.341 -22.253 15.315 1.00 16.13 C ATOM 1231 O SER A 209 -15.355 -22.601 15.923 1.00 17.47 O ATOM 1232 CB SER A 209 -15.284 -21.854 13.032 1.00 16.97 C ATOM 1233 OG SER A 209 -14.710 -23.049 12.535 1.00 25.95 O ATOM 1234 HG SER A 209 -15.280 -23.411 11.811 1.00 0.00 H ATOM 1235 H SER A 209 -12.708 -21.385 12.848 1.00 0.00 H ATOM 1236 N ASP A 210 -13.130 -22.726 15.601 1.00 15.38 N ATOM 1237 CA ASP A 210 -12.883 -23.649 16.708 1.00 16.26 C ATOM 1238 C ASP A 210 -12.891 -22.900 18.040 1.00 16.79 C ATOM 1239 O ASP A 210 -11.988 -22.117 18.307 1.00 14.23 O ATOM 1240 CB ASP A 210 -11.538 -24.357 16.499 1.00 16.66 C ATOM 1241 CG ASP A 210 -11.295 -25.497 17.479 1.00 18.50 C ATOM 1242 OD1 ASP A 210 -11.957 -25.555 18.533 1.00 20.38 O ATOM 1243 OD2 ASP A 210 -10.395 -26.328 17.198 1.00 21.98 O ATOM 1244 H ASP A 210 -12.326 -22.427 15.013 1.00 0.00 H ATOM 1245 N PRO A 211 -13.908 -23.134 18.889 1.00 15.11 N ATOM 1246 CA PRO A 211 -13.965 -22.394 20.162 1.00 15.12 C ATOM 1247 C PRO A 211 -12.797 -22.668 21.116 1.00 17.86 C ATOM 1248 O PRO A 211 -12.565 -21.884 22.038 1.00 19.85 O ATOM 1249 CB PRO A 211 -15.288 -22.867 20.783 1.00 18.11 C ATOM 1250 CG PRO A 211 -15.610 -24.144 20.097 1.00 23.05 C ATOM 1251 CD PRO A 211 -15.076 -24.017 18.710 1.00 20.03 C ATOM 1252 N GLY A 212 -12.066 -23.755 20.894 1.00 15.69 N ATOM 1253 CA GLY A 212 -10.889 -24.048 21.697 1.00 15.26 C ATOM 1254 C GLY A 212 -9.641 -23.346 21.193 1.00 16.38 C ATOM 1255 O GLY A 212 -8.596 -23.376 21.849 1.00 17.56 O ATOM 1256 H GLY A 212 -12.340 -24.408 20.132 1.00 0.00 H ATOM 1257 N ALA A 213 -9.740 -22.718 20.025 1.00 13.70 N ATOM 1258 CA ALA A 213 -8.589 -22.060 19.412 1.00 12.02 C ATOM 1259 C ALA A 213 -8.363 -20.668 19.985 1.00 9.82 C ATOM 1260 O ALA A 213 -9.312 -19.935 20.270 1.00 10.71 O ATOM 1261 CB ALA A 213 -8.762 -21.975 17.908 1.00 12.61 C ATOM 1262 H ALA A 213 -10.658 -22.695 19.537 1.00 0.00 H ATOM 1263 N LEU A 214 -7.101 -20.294 20.134 1.00 9.82 N ATOM 1264 CA LEU A 214 -6.753 -18.934 20.511 1.00 10.39 C ATOM 1265 C LEU A 214 -7.323 -17.898 19.548 1.00 9.15 C ATOM 1266 O LEU A 214 -7.695 -16.785 19.944 1.00 9.92 O ATOM 1267 CB LEU A 214 -5.238 -18.814 20.571 1.00 14.83 C ATOM 1268 CG LEU A 214 -4.609 -17.543 21.076 1.00 16.77 C ATOM 1269 CD1 LEU A 214 -5.126 -17.247 22.465 1.00 17.51 C ATOM 1270 CD2 LEU A 214 -3.119 -17.810 21.082 1.00 15.95 C ATOM 1271 H LEU A 214 -6.343 -20.988 19.978 1.00 0.00 H ATOM 1272 N MET A 215 -7.385 -18.268 18.276 1.00 7.95 N ATOM 1273 CA MET A 215 -7.847 -17.354 17.246 1.00 9.23 C ATOM 1274 C MET A 215 -9.379 -17.310 17.109 1.00 10.00 C ATOM 1275 O MET A 215 -9.891 -16.706 16.163 1.00 10.30 O ATOM 1276 CB MET A 215 -7.217 -17.711 15.894 1.00 9.26 C ATOM 1277 CG MET A 215 -5.688 -17.543 15.832 1.00 7.72 C ATOM 1278 SD MET A 215 -5.085 -15.974 16.530 1.00 8.25 S ATOM 1279 CE MET A 215 -5.899 -14.774 15.470 1.00 10.90 C ATOM 1280 H MET A 215 -7.097 -19.232 18.011 1.00 0.00 H ATOM 1281 N TYR A 216 -10.104 -17.920 18.043 1.00 8.85 N ATOM 1282 CA TYR A 216 -11.563 -17.751 18.088 1.00 8.41 C ATOM 1283 C TYR A 216 -11.861 -16.253 18.283 1.00 11.45 C ATOM 1284 O TYR A 216 -11.100 -15.563 18.955 1.00 9.98 O ATOM 1285 CB TYR A 216 -12.148 -18.602 19.209 1.00 9.01 C ATOM 1286 CG TYR A 216 -13.649 -18.684 19.209 1.00 11.34 C ATOM 1287 CD1 TYR A 216 -14.323 -19.462 18.275 1.00 12.04 C ATOM 1288 CD2 TYR A 216 -14.391 -18.003 20.156 1.00 10.93 C ATOM 1289 CE1 TYR A 216 -15.716 -19.543 18.278 1.00 12.20 C ATOM 1290 CE2 TYR A 216 -15.778 -18.076 20.166 1.00 11.37 C ATOM 1291 CZ TYR A 216 -16.427 -18.842 19.224 1.00 10.48 C ATOM 1292 OH TYR A 216 -17.814 -18.906 19.252 1.00 14.28 O ATOM 1293 HH TYR A 216 -18.131 -19.491 18.519 1.00 0.00 H ATOM 1294 H TYR A 216 -9.633 -18.522 18.748 1.00 0.00 H ATOM 1295 N PRO A 217 -12.946 -15.725 17.674 1.00 8.85 N ATOM 1296 CA PRO A 217 -13.152 -14.270 17.703 1.00 9.03 C ATOM 1297 C PRO A 217 -13.372 -13.670 19.085 1.00 9.89 C ATOM 1298 O PRO A 217 -13.030 -12.501 19.293 1.00 12.99 O ATOM 1299 CB PRO A 217 -14.414 -14.081 16.858 1.00 12.65 C ATOM 1300 CG PRO A 217 -14.445 -15.271 15.981 1.00 15.19 C ATOM 1301 CD PRO A 217 -13.921 -16.394 16.798 1.00 11.19 C ATOM 1302 N ASN A 218 -13.962 -14.426 20.003 1.00 10.08 N ATOM 1303 CA ASN A 218 -14.338 -13.881 21.311 1.00 11.32 C ATOM 1304 C ASN A 218 -13.422 -14.335 22.430 1.00 11.88 C ATOM 1305 O ASN A 218 -12.983 -15.488 22.446 1.00 12.54 O ATOM 1306 CB ASN A 218 -15.777 -14.267 21.668 1.00 9.86 C ATOM 1307 CG ASN A 218 -16.796 -13.570 20.793 1.00 12.87 C ATOM 1308 OD1 ASN A 218 -16.532 -12.493 20.254 1.00 14.44 O ATOM 1309 ND2 ASN A 218 -17.973 -14.172 20.658 1.00 12.21 N ATOM 1310 HD22 ASN A 218 -18.150 -15.081 21.132 1.00 0.00 H ATOM 1311 HD21 ASN A 218 -18.717 -13.735 20.078 1.00 0.00 H ATOM 1312 H ASN A 218 -14.161 -15.424 19.790 1.00 0.00 H ATOM 1313 N TYR A 219 -13.158 -13.428 23.369 1.00 11.62 N ATOM 1314 CA TYR A 219 -12.323 -13.705 24.536 1.00 12.16 C ATOM 1315 C TYR A 219 -12.868 -14.801 25.427 1.00 12.07 C ATOM 1316 O TYR A 219 -14.040 -14.803 25.784 1.00 12.39 O ATOM 1317 CB TYR A 219 -12.100 -12.422 25.355 1.00 12.67 C ATOM 1318 CG TYR A 219 -11.306 -12.628 26.631 1.00 13.07 C ATOM 1319 CD1 TYR A 219 -9.923 -12.460 26.651 1.00 12.01 C ATOM 1320 CD2 TYR A 219 -11.938 -12.986 27.814 1.00 12.32 C ATOM 1321 CE1 TYR A 219 -9.200 -12.650 27.822 1.00 12.37 C ATOM 1322 CE2 TYR A 219 -11.226 -13.184 28.980 1.00 13.44 C ATOM 1323 CZ TYR A 219 -9.859 -13.012 28.979 1.00 11.88 C ATOM 1324 OH TYR A 219 -9.144 -13.196 30.137 1.00 11.24 O ATOM 1325 HH TYR A 219 -9.466 -12.562 30.826 1.00 0.00 H ATOM 1326 H TYR A 219 -13.566 -12.477 23.267 1.00 0.00 H ATOM 1327 N ALA A 220 -11.993 -15.730 25.788 1.00 12.65 N ATOM 1328 CA ALA A 220 -12.302 -16.709 26.811 1.00 13.79 C ATOM 1329 C ALA A 220 -11.032 -16.991 27.591 1.00 14.16 C ATOM 1330 O ALA A 220 -9.937 -16.997 27.017 1.00 18.40 O ATOM 1331 CB ALA A 220 -12.858 -17.987 26.192 1.00 16.94 C ATOM 1332 H ALA A 220 -11.062 -15.757 25.325 1.00 0.00 H ATOM 1333 N PHE A 221 -11.150 -17.190 28.897 1.00 13.51 N ATOM 1334 CA PHE A 221 -9.962 -17.549 29.654 1.00 12.38 C ATOM 1335 C PHE A 221 -9.587 -19.013 29.414 1.00 14.30 C ATOM 1336 O PHE A 221 -10.456 -19.882 29.286 1.00 17.70 O ATOM 1337 CB PHE A 221 -10.140 -17.299 31.152 1.00 14.04 C ATOM 1338 CG PHE A 221 -8.908 -17.615 31.950 1.00 13.51 C ATOM 1339 CD1 PHE A 221 -7.824 -16.752 31.948 1.00 12.73 C ATOM 1340 CD2 PHE A 221 -8.812 -18.803 32.657 1.00 16.65 C ATOM 1341 CE1 PHE A 221 -6.684 -17.052 32.660 1.00 13.90 C ATOM 1342 CE2 PHE A 221 -7.672 -19.109 33.366 1.00 15.67 C ATOM 1343 CZ PHE A 221 -6.610 -18.232 33.370 1.00 14.37 C ATOM 1344 H PHE A 221 -12.072 -17.091 29.369 1.00 0.00 H ATOM 1345 N ARG A 222 -8.279 -19.252 29.338 1.00 13.59 N ATOM 1346 CA ARG A 222 -7.690 -20.587 29.304 1.00 16.34 C ATOM 1347 C ARG A 222 -6.455 -20.552 30.188 1.00 18.08 C ATOM 1348 O ARG A 222 -5.859 -19.489 30.373 1.00 16.04 O ATOM 1349 CB ARG A 222 -7.307 -21.001 27.884 1.00 20.40 C ATOM 1350 CG ARG A 222 -6.488 -19.955 27.184 1.00 26.45 C ATOM 1351 CD ARG A 222 -6.797 -19.873 25.716 1.00 29.92 C ATOM 1352 NE ARG A 222 -8.232 -19.743 25.498 1.00 30.52 N ATOM 1353 CZ ARG A 222 -8.773 -19.364 24.347 1.00 28.69 C ATOM 1354 NH1 ARG A 222 -7.987 -19.043 23.333 1.00 29.89 N ATOM 1355 NH2 ARG A 222 -10.091 -19.275 24.217 1.00 32.23 N ATOM 1356 HE ARG A 222 -8.869 -19.960 26.291 1.00 0.00 H ATOM 1357 HH12 ARG A 222 -8.402 -18.745 22.427 1.00 0.00 H ATOM 1358 HH11 ARG A 222 -6.954 -19.089 23.441 1.00 0.00 H ATOM 1359 HH22 ARG A 222 -10.505 -18.977 23.311 1.00 0.00 H ATOM 1360 HH21 ARG A 222 -10.709 -19.503 25.021 1.00 0.00 H ATOM 1361 H ARG A 222 -7.636 -18.435 29.300 1.00 0.00 H ATOM 1362 N GLU A 223 -6.056 -21.701 30.724 1.00 19.62 N ATOM 1363 CA GLU A 223 -4.897 -21.759 31.616 1.00 15.98 C ATOM 1364 C GLU A 223 -3.612 -21.234 30.968 1.00 17.21 C ATOM 1365 O GLU A 223 -3.345 -21.498 29.796 1.00 19.52 O ATOM 1366 CB GLU A 223 -4.677 -23.188 32.106 1.00 19.09 C ATOM 1367 CG GLU A 223 -5.171 -23.410 33.518 1.00 26.22 C ATOM 1368 CD GLU A 223 -6.649 -23.147 33.652 1.00 27.44 C ATOM 1369 OE1 GLU A 223 -7.396 -23.489 32.711 1.00 33.66 O ATOM 1370 OE2 GLU A 223 -7.077 -22.602 34.692 1.00 21.32 O ATOM 1371 H GLU A 223 -6.577 -22.574 30.506 1.00 0.00 H ATOM 1372 N THR A 224 -2.828 -20.488 31.744 1.00 15.08 N ATOM 1373 CA THR A 224 -1.653 -19.785 31.226 1.00 14.35 C ATOM 1374 C THR A 224 -0.341 -20.267 31.861 1.00 16.30 C ATOM 1375 O THR A 224 0.613 -19.491 32.010 1.00 21.51 O ATOM 1376 CB THR A 224 -1.793 -18.270 31.454 1.00 16.39 C ATOM 1377 OG1 THR A 224 -1.864 -18.009 32.862 1.00 19.54 O ATOM 1378 CG2 THR A 224 -3.073 -17.752 30.795 1.00 14.06 C ATOM 1379 HG1 THR A 224 -1.954 -17.035 33.012 1.00 0.00 H ATOM 1380 H THR A 224 -3.059 -20.402 32.754 1.00 0.00 H ATOM 1381 N SER A 225 -0.293 -21.552 32.205 1.00 17.76 N ATOM 1382 CA SER A 225 0.815 -22.141 32.958 1.00 19.32 C ATOM 1383 C SER A 225 2.037 -22.535 32.117 1.00 18.45 C ATOM 1384 O SER A 225 3.140 -22.647 32.650 1.00 18.21 O ATOM 1385 CB SER A 225 0.314 -23.378 33.714 1.00 21.18 C ATOM 1386 OG SER A 225 -0.068 -24.404 32.804 1.00 30.76 O ATOM 1387 HG SER A 225 -0.388 -25.192 33.312 1.00 0.00 H ATOM 1388 H SER A 225 -1.082 -22.168 31.925 1.00 0.00 H ATOM 1389 N ASN A 226 1.852 -22.771 30.822 1.00 18.26 N ATOM 1390 CA ASN A 226 2.960 -23.178 29.962 1.00 19.98 C ATOM 1391 C ASN A 226 2.810 -22.648 28.541 1.00 17.78 C ATOM 1392 O ASN A 226 1.877 -21.900 28.252 1.00 17.14 O ATOM 1393 CB ASN A 226 3.095 -24.704 29.963 1.00 21.85 C ATOM 1394 CG ASN A 226 1.817 -25.410 29.538 1.00 26.52 C ATOM 1395 OD1 ASN A 226 1.074 -24.923 28.685 1.00 25.90 O ATOM 1396 ND2 ASN A 226 1.557 -26.569 30.133 1.00 27.72 N ATOM 1397 HD22 ASN A 226 2.212 -26.945 30.849 1.00 0.00 H ATOM 1398 HD21 ASN A 226 0.699 -27.101 29.883 1.00 0.00 H ATOM 1399 H ASN A 226 0.901 -22.664 30.414 1.00 0.00 H ATOM 1400 N TYR A 227 3.737 -23.026 27.665 1.00 16.05 N ATOM 1401 CA TYR A 227 3.763 -22.493 26.307 1.00 15.43 C ATOM 1402 C TYR A 227 2.989 -23.373 25.325 1.00 19.20 C ATOM 1403 O TYR A 227 3.397 -23.522 24.177 1.00 22.95 O ATOM 1404 CB TYR A 227 5.210 -22.313 25.816 1.00 16.05 C ATOM 1405 CG TYR A 227 6.085 -21.463 26.718 1.00 17.48 C ATOM 1406 CD1 TYR A 227 5.991 -20.077 26.719 1.00 17.50 C ATOM 1407 CD2 TYR A 227 7.009 -22.056 27.565 1.00 21.51 C ATOM 1408 CE1 TYR A 227 6.799 -19.308 27.552 1.00 17.61 C ATOM 1409 CE2 TYR A 227 7.814 -21.304 28.390 1.00 19.83 C ATOM 1410 CZ TYR A 227 7.704 -19.932 28.384 1.00 16.82 C ATOM 1411 OH TYR A 227 8.515 -19.189 29.218 1.00 20.03 O ATOM 1412 HH TYR A 227 8.317 -18.227 29.097 1.00 0.00 H ATOM 1413 H TYR A 227 4.459 -23.716 27.954 1.00 0.00 H ATOM 1414 N SER A 228 1.857 -23.917 25.763 1.00 20.33 N ATOM 1415 CA SER A 228 1.038 -24.768 24.901 1.00 24.20 C ATOM 1416 C SER A 228 0.011 -23.985 24.087 1.00 16.98 C ATOM 1417 O SER A 228 -0.918 -23.386 24.632 1.00 25.66 O ATOM 1418 CB SER A 228 0.316 -25.833 25.727 1.00 23.97 C ATOM 1419 OG SER A 228 1.152 -26.346 26.749 1.00 34.72 O ATOM 1420 HG SER A 228 1.424 -25.609 27.352 1.00 0.00 H ATOM 1421 H SER A 228 1.548 -23.733 26.739 1.00 0.00 H ATOM 1422 N LEU A 229 0.195 -24.003 22.772 1.00 15.41 N ATOM 1423 CA LEU A 229 -0.766 -23.437 21.834 1.00 14.40 C ATOM 1424 C LEU A 229 -1.841 -24.482 21.534 1.00 14.63 C ATOM 1425 O LEU A 229 -1.514 -25.658 21.386 1.00 14.31 O ATOM 1426 CB LEU A 229 -0.030 -23.023 20.563 1.00 22.23 C ATOM 1427 CG LEU A 229 -0.530 -21.984 19.573 1.00 21.82 C ATOM 1428 CD1 LEU A 229 -0.886 -20.681 20.272 1.00 12.90 C ATOM 1429 CD2 LEU A 229 0.556 -21.759 18.529 1.00 15.43 C ATOM 1430 H LEU A 229 1.061 -24.439 22.396 1.00 0.00 H ATOM 1431 N PRO A 230 -3.125 -24.081 21.462 1.00 13.31 N ATOM 1432 CA PRO A 230 -4.147 -25.049 21.050 1.00 11.91 C ATOM 1433 C PRO A 230 -3.825 -25.612 19.676 1.00 11.06 C ATOM 1434 O PRO A 230 -3.222 -24.936 18.846 1.00 9.67 O ATOM 1435 CB PRO A 230 -5.434 -24.222 21.028 1.00 12.27 C ATOM 1436 CG PRO A 230 -5.170 -23.116 21.990 1.00 12.23 C ATOM 1437 CD PRO A 230 -3.719 -22.778 21.807 1.00 12.54 C ATOM 1438 N GLN A 231 -4.222 -26.854 19.438 1.00 11.86 N ATOM 1439 CA GLN A 231 -3.802 -27.533 18.227 1.00 10.58 C ATOM 1440 C GLN A 231 -4.278 -26.835 16.951 1.00 8.96 C ATOM 1441 O GLN A 231 -3.572 -26.833 15.951 1.00 9.15 O ATOM 1442 CB GLN A 231 -4.279 -28.987 18.257 1.00 14.19 C ATOM 1443 CG GLN A 231 -3.353 -29.954 17.521 1.00 14.08 C ATOM 1444 CD GLN A 231 -1.979 -30.082 18.171 1.00 12.93 C ATOM 1445 OE1 GLN A 231 -1.864 -30.238 19.389 1.00 17.09 O ATOM 1446 NE2 GLN A 231 -0.931 -30.036 17.356 1.00 13.95 N ATOM 1447 HE22 GLN A 231 -1.072 -29.903 16.334 1.00 0.00 H ATOM 1448 HE21 GLN A 231 0.031 -30.133 17.740 1.00 0.00 H ATOM 1449 H GLN A 231 -4.836 -27.343 20.121 1.00 0.00 H ATOM 1450 N ASP A 232 -5.457 -26.219 16.974 1.00 9.76 N ATOM 1451 CA ASP A 232 -5.917 -25.525 15.779 1.00 9.26 C ATOM 1452 C ASP A 232 -5.001 -24.361 15.395 1.00 9.28 C ATOM 1453 O ASP A 232 -4.794 -24.091 14.211 1.00 9.31 O ATOM 1454 CB ASP A 232 -7.347 -25.005 15.955 1.00 11.50 C ATOM 1455 CG ASP A 232 -7.898 -24.381 14.685 1.00 12.70 C ATOM 1456 OD1 ASP A 232 -8.164 -25.129 13.721 1.00 16.24 O ATOM 1457 OD2 ASP A 232 -8.074 -23.144 14.652 1.00 14.01 O ATOM 1458 H ASP A 232 -6.042 -26.233 17.834 1.00 0.00 H ATOM 1459 N ASP A 233 -4.465 -23.660 16.392 1.00 8.51 N ATOM 1460 CA ASP A 233 -3.539 -22.567 16.136 1.00 8.52 C ATOM 1461 C ASP A 233 -2.178 -23.053 15.621 1.00 8.58 C ATOM 1462 O ASP A 233 -1.555 -22.397 14.779 1.00 8.59 O ATOM 1463 CB ASP A 233 -3.373 -21.740 17.407 1.00 9.42 C ATOM 1464 CG ASP A 233 -4.709 -21.230 17.952 1.00 10.34 C ATOM 1465 OD1 ASP A 233 -5.416 -20.474 17.236 1.00 9.66 O ATOM 1466 OD2 ASP A 233 -5.041 -21.582 19.100 1.00 14.12 O ATOM 1467 H ASP A 233 -4.713 -23.898 17.373 1.00 0.00 H ATOM 1468 N ILE A 234 -1.743 -24.216 16.107 1.00 8.95 N ATOM 1469 CA ILE A 234 -0.539 -24.861 15.586 1.00 8.12 C ATOM 1470 C ILE A 234 -0.754 -25.191 14.113 1.00 7.99 C ATOM 1471 O ILE A 234 0.092 -24.902 13.276 1.00 9.10 O ATOM 1472 CB ILE A 234 -0.182 -26.131 16.376 1.00 7.34 C ATOM 1473 CG1 ILE A 234 0.205 -25.769 17.812 1.00 9.40 C ATOM 1474 CG2 ILE A 234 0.954 -26.892 15.688 1.00 8.46 C ATOM 1475 CD1 ILE A 234 0.374 -26.964 18.745 1.00 10.33 C ATOM 1476 H ILE A 234 -2.273 -24.675 16.875 1.00 0.00 H ATOM 1477 N ASP A 235 -1.919 -25.758 13.790 1.00 7.34 N ATOM 1478 CA ASP A 235 -2.229 -26.027 12.388 1.00 9.75 C ATOM 1479 C ASP A 235 -2.145 -24.761 11.527 1.00 9.04 C ATOM 1480 O ASP A 235 -1.605 -24.773 10.413 1.00 9.91 O ATOM 1481 CB ASP A 235 -3.625 -26.651 12.249 1.00 9.10 C ATOM 1482 CG ASP A 235 -3.727 -28.016 12.891 1.00 11.95 C ATOM 1483 OD1 ASP A 235 -2.679 -28.648 13.125 1.00 14.95 O ATOM 1484 OD2 ASP A 235 -4.872 -28.450 13.153 1.00 14.35 O ATOM 1485 H ASP A 235 -2.603 -26.007 14.533 1.00 0.00 H ATOM 1486 N GLY A 236 -2.671 -23.659 12.053 1.00 8.15 N ATOM 1487 CA GLY A 236 -2.670 -22.400 11.335 1.00 9.33 C ATOM 1488 C GLY A 236 -1.287 -21.832 11.075 1.00 8.28 C ATOM 1489 O GLY A 236 -0.957 -21.465 9.948 1.00 11.56 O ATOM 1490 H GLY A 236 -3.093 -23.701 13.002 1.00 0.00 H ATOM 1491 N ILE A 237 -0.463 -21.744 12.114 1.00 8.20 N ATOM 1492 CA ILE A 237 0.844 -21.120 11.923 1.00 8.84 C ATOM 1493 C ILE A 237 1.760 -22.023 11.075 1.00 8.13 C ATOM 1494 O ILE A 237 2.546 -21.523 10.263 1.00 10.02 O ATOM 1495 CB ILE A 237 1.499 -20.738 13.282 1.00 8.63 C ATOM 1496 CG1 ILE A 237 2.637 -19.741 13.063 1.00 7.09 C ATOM 1497 CG2 ILE A 237 2.005 -21.968 14.044 1.00 8.38 C ATOM 1498 CD1 ILE A 237 2.133 -18.349 12.688 1.00 11.87 C ATOM 1499 H ILE A 237 -0.743 -22.112 13.045 1.00 0.00 H ATOM 1500 N GLN A 238 1.625 -23.339 11.226 1.00 9.04 N ATOM 1501 CA GLN A 238 2.342 -24.301 10.384 1.00 9.75 C ATOM 1502 C GLN A 238 1.944 -24.193 8.910 1.00 9.36 C ATOM 1503 O GLN A 238 2.776 -24.353 8.021 1.00 10.85 O ATOM 1504 CB GLN A 238 2.092 -25.719 10.891 1.00 9.75 C ATOM 1505 CG GLN A 238 2.903 -26.083 12.130 1.00 8.18 C ATOM 1506 CD GLN A 238 4.264 -26.669 11.782 1.00 8.02 C ATOM 1507 OE1 GLN A 238 4.399 -27.437 10.826 1.00 8.46 O ATOM 1508 NE2 GLN A 238 5.277 -26.318 12.563 1.00 9.50 N ATOM 1509 HE22 GLN A 238 5.119 -25.667 13.359 1.00 0.00 H ATOM 1510 HE21 GLN A 238 6.229 -26.693 12.380 1.00 0.00 H ATOM 1511 H GLN A 238 0.989 -23.697 11.967 1.00 0.00 H ATOM 1512 N ALA A 239 0.668 -23.919 8.645 1.00 8.50 N ATOM 1513 CA ALA A 239 0.212 -23.788 7.265 1.00 11.58 C ATOM 1514 C ALA A 239 0.825 -22.573 6.552 1.00 13.22 C ATOM 1515 O ALA A 239 0.926 -22.554 5.323 1.00 16.45 O ATOM 1516 CB ALA A 239 -1.307 -23.714 7.222 1.00 11.56 C ATOM 1517 H ALA A 239 -0.008 -23.798 9.426 1.00 0.00 H ATOM 1518 N ILE A 240 1.249 -21.568 7.314 1.00 10.74 N ATOM 1519 CA ILE A 240 1.867 -20.386 6.730 1.00 13.23 C ATOM 1520 C ILE A 240 3.388 -20.486 6.670 1.00 12.85 C ATOM 1521 O ILE A 240 3.994 -20.191 5.647 1.00 12.77 O ATOM 1522 CB ILE A 240 1.493 -19.117 7.516 1.00 12.17 C ATOM 1523 CG1 ILE A 240 -0.025 -18.965 7.600 1.00 11.29 C ATOM 1524 CG2 ILE A 240 2.069 -17.893 6.844 1.00 11.84 C ATOM 1525 CD1 ILE A 240 -0.481 -17.809 8.486 1.00 13.70 C ATOM 1526 H ILE A 240 1.137 -21.628 8.346 1.00 0.00 H ATOM 1527 N TYR A 241 3.994 -20.926 7.768 1.00 10.55 N ATOM 1528 CA TYR A 241 5.452 -20.862 7.921 1.00 10.64 C ATOM 1529 C TYR A 241 6.152 -22.207 8.052 1.00 9.97 C ATOM 1530 O TYR A 241 7.376 -22.254 8.063 1.00 11.47 O ATOM 1531 CB TYR A 241 5.808 -20.023 9.152 1.00 10.23 C ATOM 1532 CG TYR A 241 5.331 -18.600 9.067 1.00 9.59 C ATOM 1533 CD1 TYR A 241 6.007 -17.672 8.288 1.00 12.37 C ATOM 1534 CD2 TYR A 241 4.194 -18.183 9.748 1.00 11.32 C ATOM 1535 CE1 TYR A 241 5.569 -16.355 8.197 1.00 11.10 C ATOM 1536 CE2 TYR A 241 3.751 -16.868 9.664 1.00 10.44 C ATOM 1537 CZ TYR A 241 4.436 -15.963 8.887 1.00 10.28 C ATOM 1538 OH TYR A 241 3.980 -14.659 8.802 1.00 9.70 O ATOM 1539 HH TYR A 241 3.062 -14.655 8.432 1.00 0.00 H ATOM 1540 H TYR A 241 3.420 -21.326 8.538 1.00 0.00 H ATOM 1541 N GLY A 242 5.397 -23.290 8.165 1.00 10.81 N ATOM 1542 CA GLY A 242 6.010 -24.557 8.517 1.00 9.23 C ATOM 1543 C GLY A 242 6.566 -24.478 9.924 1.00 9.30 C ATOM 1544 O GLY A 242 7.574 -25.122 10.231 1.00 10.62 O ATOM 1545 OXT GLY A 242 6.031 -23.738 10.766 1.00 11.80 O ATOM 1546 H GLY A 242 4.371 -23.232 8.002 1.00 0.00 H TER 1547 GLY A 242 HETATM 1548 CA CA A 1 5.005 -2.877 11.746 1.00 13.22 CA HETATM 1549 CA CA A 2 -12.687 -1.803 24.671 1.00 7.41 CA HETATM 1550 ZN ZN A 3 -5.129 0.641 16.427 1.00 8.99 ZN HETATM 1551 ZN ZN A 4 -8.992 -11.373 16.286 1.00 9.79 ZN HETATM 1552 O HOH 5 -3.679 -10.840 9.668 1.00 21.29 O HETATM 1553 O HOH 6 10.517 -22.211 16.847 1.00 8.06 O HETATM 1554 O HOH 7 -13.973 -9.273 21.267 1.00 29.44 O HETATM 1555 O HOH 8 -6.889 -18.941 7.694 1.00 29.06 O HETATM 1556 O HOH 9 -6.259 7.715 30.199 1.00 28.22 O HETATM 1557 O HOH 10 -12.265 7.554 10.559 1.00 40.07 O HETATM 1558 O HOH 11 -9.544 -23.618 33.129 1.00 24.93 O HETATM 1559 O HOH 12 -10.961 -20.237 21.706 1.00 29.98 O HETATM 1560 O HOH 13 -12.677 11.467 18.896 1.00 28.69 O HETATM 1561 O HOH 14 18.181 -14.276 13.081 1.00 32.52 O HETATM 1562 O HOH 15 -1.753 -15.425 33.480 1.00 17.58 O HETATM 1563 O HOH 16 -14.216 -7.770 19.823 1.00 31.65 O HETATM 1564 O HOH 17 8.868 0.731 15.982 1.00 23.95 O HETATM 1565 O HOH 18 -10.562 -16.620 21.075 1.00 23.94 O HETATM 1566 O HOH 19 7.962 -14.039 -1.461 1.00 43.97 O HETATM 1567 O HOH 20 6.781 -1.406 12.308 1.00 16.26 O HETATM 1568 O HOH 21 -2.521 8.782 12.269 1.00 25.24 O HETATM 1569 O HOH 22 10.630 -8.693 6.922 1.00 20.14 O HETATM 1570 O HOH 23 -7.171 0.856 32.040 1.00 23.33 O HETATM 1571 O HOH 24 -9.811 -28.820 17.252 1.00 27.71 O HETATM 1572 O HOH 25 8.445 -24.850 12.657 1.00 9.40 O HETATM 1573 O HOH 26 6.572 -6.843 38.600 1.00 27.54 O HETATM 1574 O HOH 27 1.352 1.104 15.377 1.00 13.71 O HETATM 1575 O HOH 28 -5.357 -0.473 30.871 1.00 22.75 O HETATM 1576 O HOH 29 -1.466 -15.436 5.711 1.00 23.69 O HETATM 1577 O HOH 30 8.748 3.738 15.699 1.00 30.30 O HETATM 1578 O HOH 31 8.061 4.617 23.181 1.00 26.26 O HETATM 1579 O HOH 32 -11.960 -4.785 15.339 1.00 33.95 O HETATM 1580 O HOH 33 -3.106 -17.398 2.454 1.00 40.23 O HETATM 1581 O HOH 34 -6.328 -9.892 38.534 1.00 21.74 O HETATM 1582 O HOH 35 -7.280 -27.505 12.513 1.00 24.21 O HETATM 1583 O HOH 36 -10.859 -13.740 32.107 1.00 14.12 O HETATM 1584 O HOH 37 -4.058 -6.023 36.973 1.00 23.18 O HETATM 1585 O HOH 38 8.742 -8.379 26.313 1.00 11.37 O HETATM 1586 O HOH 39 8.827 -4.340 9.088 1.00 18.93 O HETATM 1587 O HOH 40 -11.876 -4.009 31.097 1.00 14.50 O HETATM 1588 O HOH 41 2.603 -1.645 32.755 1.00 19.69 O HETATM 1589 O HOH 42 2.726 -13.979 28.810 1.00 27.10 O HETATM 1590 O HOH 43 9.189 -20.428 7.298 1.00 26.26 O HETATM 1591 O HOH 44 -4.611 -23.122 28.056 1.00 31.39 O HETATM 1592 O HOH 45 9.284 -16.812 27.534 1.00 23.11 O HETATM 1593 O HOH 46 14.001 -3.682 14.064 1.00 19.77 O HETATM 1594 O HOH 47 -12.697 4.413 31.193 1.00 25.51 O HETATM 1595 O HOH 48 -6.617 -18.120 9.538 1.00 21.58 O HETATM 1596 O HOH 49 -3.989 1.125 30.242 1.00 17.98 O HETATM 1597 O HOH 50 10.321 -2.723 23.944 1.00 15.33 O HETATM 1598 O HOH 51 -6.384 -20.932 14.732 1.00 13.16 O HETATM 1599 O HOH 52 -17.900 0.476 28.102 1.00 21.46 O HETATM 1600 O HOH 53 9.341 -9.765 5.621 1.00 27.82 O HETATM 1601 O HOH 54 9.630 -0.963 26.156 1.00 18.22 O HETATM 1602 O HOH 55 10.594 -16.630 5.399 1.00 35.97 O HETATM 1603 O HOH 56 0.484 -27.282 22.331 1.00 25.85 O HETATM 1604 O HOH 57 11.782 -20.474 16.592 1.00 21.00 O HETATM 1605 O HOH 58 16.972 -8.263 22.277 1.00 26.89 O HETATM 1606 O HOH 59 0.136 -24.645 3.714 1.00 32.20 O HETATM 1607 O HOH 60 6.251 -3.586 9.692 1.00 14.31 O HETATM 1608 O HOH 61 9.730 1.594 23.550 1.00 17.08 O HETATM 1609 O HOH 62 -13.250 -10.314 17.626 1.00 22.68 O HETATM 1610 O HOH 63 -17.438 2.697 26.386 1.00 20.43 O HETATM 1611 O HOH 64 -13.923 10.464 16.436 1.00 28.82 O HETATM 1612 O HOH 65 -10.790 3.053 24.422 1.00 8.54 O HETATM 1613 O HOH 66 -0.780 -22.937 28.124 1.00 30.57 O HETATM 1614 O HOH 67 -18.811 -21.039 17.782 1.00 24.32 O HETATM 1615 O HOH 68 -17.639 -6.924 25.929 1.00 13.20 O HETATM 1616 O HOH 69 14.055 -20.948 13.260 1.00 24.28 O HETATM 1617 O HOH 70 -6.927 -25.098 35.916 1.00 26.93 O HETATM 1618 O HOH 71 4.133 -27.790 8.077 1.00 20.09 O HETATM 1619 O HOH 72 -1.821 -9.437 39.135 1.00 28.23 O HETATM 1620 O HOH 73 -12.128 -1.367 32.402 1.00 23.41 O HETATM 1621 O HOH 74 -18.025 -21.775 15.783 1.00 26.77 O HETATM 1622 O HOH 75 -1.284 -28.458 21.514 1.00 29.82 O HETATM 1623 O HOH 76 12.465 5.349 19.408 1.00 29.05 O HETATM 1624 O HOH 77 -0.434 -21.092 26.854 1.00 26.59 O HETATM 1625 O HOH 78 -6.887 -19.227 12.412 1.00 15.29 O HETATM 1626 O HOH 79 -10.935 -2.523 16.350 1.00 20.64 O HETATM 1627 O HOH 80 -8.818 -23.603 11.431 1.00 22.36 O HETATM 1628 O HOH 81 -19.009 -17.024 20.994 1.00 19.02 O HETATM 1629 O HOH 82 -1.837 3.974 15.637 1.00 13.77 O HETATM 1630 O HOH 83 -7.817 4.806 15.853 1.00 10.92 O HETATM 1631 O HOH 84 -8.371 0.883 33.827 1.00 29.87 O HETATM 1632 O HOH 85 -12.418 -0.225 15.662 1.00 19.51 O HETATM 1633 O HOH 86 -12.069 -16.625 33.845 1.00 23.68 O HETATM 1634 O HOH 87 -3.059 -20.479 34.580 1.00 24.68 O HETATM 1635 O HOH 88 -6.905 -17.153 -3.467 1.00 41.27 O HETATM 1636 O HOH 89 -2.053 2.981 29.186 1.00 16.99 O HETATM 1637 O HOH 90 1.879 1.969 7.555 1.00 23.14 O HETATM 1638 O HOH 91 -6.191 -8.519 11.672 1.00 27.47 O HETATM 1639 O HOH 92 -9.797 -27.451 14.637 1.00 24.47 O HETATM 1640 O HOH 93 -1.144 -11.406 31.224 1.00 11.48 O HETATM 1641 O HOH 94 8.164 -26.835 20.700 1.00 17.99 O HETATM 1642 O HOH 95 6.337 5.945 23.649 1.00 27.88 O HETATM 1643 O HOH 96 -3.519 -19.678 6.588 1.00 32.37 O HETATM 1644 O HOH 97 15.643 -11.108 10.223 1.00 27.55 O HETATM 1645 O HOH 98 -5.461 -28.374 21.544 1.00 24.28 O HETATM 1646 O HOH 99 -0.744 2.167 38.450 1.00 34.84 O HETATM 1647 O HOH 100 3.049 -23.485 21.194 1.00 20.02 O HETATM 1648 O HOH 101 -1.564 -27.289 9.008 1.00 14.94 O HETATM 1649 O HOH 102 -7.673 -11.798 9.442 1.00 27.99 O HETATM 1650 O HOH 103 -2.156 4.678 27.005 1.00 17.85 O HETATM 1651 O HOH 104 -14.224 -12.642 12.196 1.00 19.52 O HETATM 1652 O HOH 105 11.357 -16.201 19.782 1.00 13.08 O HETATM 1653 O HOH 106 2.966 -19.533 3.032 1.00 30.66 O HETATM 1654 O HOH 107 -13.765 -10.639 22.904 1.00 25.94 O HETATM 1655 O HOH 108 14.967 -10.484 22.436 1.00 21.58 O HETATM 1656 O HOH 109 5.700 -25.127 28.081 1.00 21.32 O HETATM 1657 O HOH 110 -11.447 2.473 31.944 1.00 29.02 O HETATM 1658 O HOH 111 -16.018 -12.694 25.405 1.00 27.53 O HETATM 1659 O HOH 112 -7.663 -26.368 18.878 1.00 19.20 O HETATM 1660 O HOH 113 6.470 -1.063 36.924 1.00 24.95 O HETATM 1661 O HOH 114 -11.072 9.654 20.662 1.00 11.05 O HETATM 1662 O HOH 115 3.873 3.967 29.538 1.00 21.92 O HETATM 1663 O HOH 116 3.656 -3.950 3.040 1.00 32.73 O HETATM 1664 O HOH 117 2.769 -11.072 33.684 1.00 14.96 O HETATM 1665 O HOH 118 -3.391 -20.258 8.804 1.00 25.83 O HETATM 1666 O HOH 119 10.977 -21.482 25.952 1.00 35.21 O HETATM 1667 O HOH 120 12.405 -17.248 26.489 1.00 34.23 O HETATM 1668 O HOH 121 -15.197 -7.390 32.518 1.00 25.51 O HETATM 1669 O HOH 122 12.211 -11.150 24.257 1.00 28.04 O HETATM 1670 O HOH 123 13.942 -5.992 11.538 1.00 30.44 O HETATM 1671 O HOH 124 13.750 -1.861 28.667 1.00 21.20 O HETATM 1672 O HOH 125 4.890 2.205 33.612 1.00 32.82 O HETATM 1673 O HOH 126 8.310 -3.607 36.758 1.00 19.92 O HETATM 1674 O HOH 127 -10.084 6.141 14.958 1.00 22.78 O HETATM 1675 O HOH 128 14.819 -15.318 7.562 1.00 30.99 O HETATM 1676 O HOH 129 -2.418 -13.576 0.603 1.00 37.10 O HETATM 1677 O HOH 130 -14.424 8.294 15.802 1.00 29.45 O HETATM 1678 O HOH 131 -9.656 -18.709 8.739 1.00 27.06 O HETATM 1679 O HOH 132 15.441 -13.729 9.313 1.00 30.11 O HETATM 1680 O HOH 133 -4.887 -5.862 8.564 1.00 25.29 O HETATM 1681 O HOH 134 -15.282 -17.323 23.617 1.00 28.61 O HETATM 1682 O HOH 135 -11.421 -13.374 10.488 1.00 27.40 O HETATM 1683 O HOH 136 -3.466 -8.900 37.597 1.00 19.32 O HETATM 1684 O HOH 137 -14.133 -16.339 29.816 1.00 27.12 O HETATM 1685 O HOH 138 -3.896 7.466 30.096 1.00 31.26 O HETATM 1686 O HOH 139 -1.017 4.724 12.733 1.00 30.29 O HETATM 1687 O HOH 140 -18.522 -14.011 23.877 1.00 30.40 O HETATM 1688 O HOH 141 -5.487 -9.539 9.785 1.00 25.12 O HETATM 1689 O HOH 142 8.358 7.101 13.239 1.00 32.11 O HETATM 1690 O HOH 143 -10.825 -7.627 36.467 1.00 27.43 O HETATM 1691 O HOH 144 -5.330 5.113 30.687 1.00 30.43 O HETATM 1692 O HOH 145 11.702 -13.604 23.163 1.00 26.80 O HETATM 1693 O HOH 146 -9.595 -11.886 11.323 1.00 26.98 O HETATM 1694 O HOH 147 13.210 -16.163 23.226 1.00 33.73 O HETATM 1695 O HOH 148 -5.996 -23.740 10.574 1.00 21.50 O HETATM 1696 O HOH 149 6.700 2.945 10.234 1.00 34.95 O HETATM 1697 O HOH 150 4.700 -12.057 35.403 1.00 27.70 O HETATM 1698 O HOH 151 7.902 0.558 10.187 1.00 31.60 O HETATM 1699 O HOH 152 5.432 2.974 13.482 1.00 29.56 O HETATM 1700 O HOH 153 -10.252 0.673 34.981 1.00 36.56 O HETATM 1701 O HOH 154 0.408 -27.376 7.058 1.00 23.34 O HETATM 1702 O HOH 155 -14.455 -10.008 14.816 1.00 29.64 O HETATM 1703 O HOH 156 16.791 0.589 16.121 1.00 32.45 O HETATM 1704 O HOH 157 16.808 4.419 18.086 1.00 29.71 O HETATM 1705 O HOH 158 -7.885 5.409 31.573 1.00 32.10 O HETATM 1706 O HOH 159 -8.044 -20.269 9.430 1.00 26.59 O HETATM 1707 O HOH 160 16.933 -0.430 14.070 1.00 37.89 O HETATM 1708 O HOH 161 -16.103 -17.441 28.411 1.00 36.22 O HETATM 1709 O HOH 162 -5.614 -22.508 8.971 1.00 15.07 O HETATM 1710 O HOH 163 11.205 -7.214 32.532 1.00 29.29 O HETATM 1711 O HOH 164 3.354 -21.667 1.206 1.00 38.35 O HETATM 1712 O HOH 165 -9.029 -22.290 9.314 1.00 25.56 O HETATM 1713 CAG UNN A 166 -10.622 -7.308 17.041 1.00 -0.03 C HETATM 1714 CAW UNN A 166 -9.628 -7.130 16.074 1.00 0.10 C HETATM 1715 OAD UNN A 166 -9.689 -6.125 15.074 1.00 -0.34 O HETATM 1716 H2 UNN A 166 -8.916 -6.180 14.524 1.00 0.24 H HETATM 1717 CAR UNN A 166 -8.526 -7.963 16.046 1.00 0.10 C HETATM 1718 OAA UNN A 166 -7.525 -7.744 15.053 1.00 -0.35 O HETATM 1719 H3 UNN A 166 -6.833 -8.387 15.155 1.00 0.24 H HETATM 1720 CAE UNN A 166 -8.421 -8.981 17.005 1.00 -0.06 C HETATM 1721 CAF UNN A 166 -9.406 -9.148 17.981 1.00 -0.06 C HETATM 1722 CAS UNN A 166 -10.505 -8.321 18.000 1.00 0.04 C HETATM 1723 NAQ UNN A 166 -11.538 -8.482 18.996 1.00 -0.20 N HETATM 1724 SAX UNN A 166 -11.196 -8.200 20.607 1.00 0.09 S HETATM 1725 OAB UNN A 166 -10.196 -7.075 20.750 1.00 -0.15 O HETATM 1726 OAC UNN A 166 -12.441 -7.795 21.345 1.00 -0.15 O HETATM 1727 CAV UNN A 166 -10.535 -9.731 21.318 1.00 0.11 C HETATM 1728 CAP UNN A 166 -11.277 -10.905 21.230 1.00 -0.03 C HETATM 1729 CAN UNN A 166 -10.787 -12.096 21.776 1.00 -0.05 C HETATM 1730 CAU UNN A 166 -9.545 -12.127 22.402 1.00 -0.02 C HETATM 1731 CAM UNN A 166 -8.807 -10.951 22.503 1.00 -0.05 C HETATM 1732 CAO UNN A 166 -9.299 -9.753 21.954 1.00 -0.03 C HETATM 1733 H9 UNN A 166 -8.713 -8.844 22.027 1.00 0.06 H HETATM 1734 H10 UNN A 166 -7.848 -10.959 23.008 1.00 0.06 H HETATM 1735 CAT UNN A 166 -9.036 -13.448 23.025 1.00 -0.02 C HETATM 1736 CAK UNN A 166 -9.935 -14.490 23.308 1.00 -0.05 C HETATM 1737 CAI UNN A 166 -9.523 -15.687 23.912 1.00 -0.06 C HETATM 1738 CAH UNN A 166 -8.178 -15.861 24.213 1.00 -0.06 C HETATM 1739 CAJ UNN A 166 -7.273 -14.828 23.931 1.00 -0.06 C HETATM 1740 CAL UNN A 166 -7.696 -13.628 23.347 1.00 -0.05 C HETATM 1741 H15 UNN A 166 -6.979 -12.840 23.146 1.00 0.06 H HETATM 1742 H14 UNN A 166 -6.224 -14.961 24.170 1.00 0.06 H HETATM 1743 H13 UNN A 166 -7.832 -16.785 24.661 1.00 0.06 H HETATM 1744 H12 UNN A 166 -10.243 -16.464 24.140 1.00 0.06 H HETATM 1745 H11 UNN A 166 -10.981 -14.365 23.051 1.00 0.06 H HETATM 1746 H8 UNN A 166 -11.379 -13.002 21.711 1.00 0.06 H HETATM 1747 H7 UNN A 166 -12.241 -10.896 20.735 1.00 0.06 H HETATM 1748 H6 UNN A 166 -12.458 -8.762 18.722 1.00 0.21 H HETATM 1749 H5 UNN A 166 -9.304 -9.930 18.724 1.00 0.04 H HETATM 1750 H4 UNN A 166 -7.565 -9.646 16.988 1.00 0.05 H HETATM 1751 H1 UNN A 166 -11.489 -6.657 17.048 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 578 577 1548 CONECT 692 690 691 1550 CONECT 706 704 1550 CONECT 752 751 1549 CONECT 758 757 1549 CONECT 770 769 1549 CONECT 786 785 1549 CONECT 816 814 815 1550 CONECT 875 874 1548 CONECT 889 888 1548 CONECT 902 901 1548 CONECT 917 916 919 1550 CONECT 1132 1130 1131 1551 CONECT 1170 1168 1169 1551 CONECT 1218 1216 1217 1551 CONECT 1548 578 875 889 902 CONECT 1549 752 758 770 786 CONECT 1550 692 706 816 917 CONECT 1551 1132 1170 1218 CONECT 1713 1714 1722 1751 CONECT 1714 1713 1715 1717 CONECT 1715 1714 1716 CONECT 1716 1715 CONECT 1717 1714 1718 1720 CONECT 1718 1717 1719 CONECT 1719 1718 CONECT 1720 1717 1721 1750 CONECT 1721 1720 1722 1749 CONECT 1722 1713 1721 1723 CONECT 1723 1722 1724 1748 CONECT 1724 1723 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 1728 1732 CONECT 1728 1727 1729 1747 CONECT 1729 1728 1730 1746 CONECT 1730 1729 1731 1735 CONECT 1731 1730 1732 1734 CONECT 1732 1727 1731 1733 CONECT 1733 1732 CONECT 1734 1731 CONECT 1735 1730 1736 1740 CONECT 1736 1735 1737 1745 CONECT 1737 1736 1738 1744 CONECT 1738 1737 1739 1743 CONECT 1739 1738 1740 1742 CONECT 1740 1735 1739 1741 CONECT 1741 1740 CONECT 1742 1739 CONECT 1743 1738 CONECT 1744 1737 CONECT 1745 1736 CONECT 1746 1729 CONECT 1747 1728 CONECT 1748 1723 CONECT 1749 1721 CONECT 1750 1720 CONECT 1751 1713 MASTER 0 0 0 0 0 0 0 0 1750 1 62 13 END
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Structure:
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Related entries of code: 5h8x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a85
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PDBbind
158aa, >1A85_1|Chain... at 100%
1a86
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PDBbind
158aa, >1A86_1|Chain... at 100%
1bzs
RCSB PDB
PDBbind
165aa, >1BZS_1|Chain... *
1jao
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PDBbind
163aa, >1JAO_1|Chain... at 100%
1jaq
RCSB PDB
PDBbind
163aa, >1JAQ_1|Chain... at 100%
1jh1
RCSB PDB
PDBbind
158aa, >1JH1_1|Chain... at 100%
1jj9
RCSB PDB
PDBbind
163aa, >1JJ9_1|Chain... at 100%
1mnc
RCSB PDB
PDBbind
163aa, >1MNC_1|Chain... at 97%
1zp5
RCSB PDB
PDBbind
163aa, >1ZP5_1|Chain... at 100%
1zs0
RCSB PDB
PDBbind
163aa, >1ZS0_1|Chain... at 100%
1zvx
RCSB PDB
PDBbind
163aa, >1ZVX_1|Chain... at 100%
3dng
RCSB PDB
PDBbind
163aa, >3DNG_1|Chains... at 100%
3dpe
RCSB PDB
PDBbind
163aa, >3DPE_1|Chain... at 100%
3dpf
RCSB PDB
PDBbind
163aa, >3DPF_1|Chains... at 100%
3tt4
RCSB PDB
PDBbind
159aa, >3TT4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5h8x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix metalloproteinases, MMP-8
Ligand Name
5XT
EC.Number
E.C.3.4.24.34
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
IC50=3.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J Enzyme Inhib Med Chem Vol. 31: pp. 25-37
Ligand Properties
Formula
C
1
8
H
1
5
NO
4
S
Molecular Weight
341.381
Exact Mass
341.072
No. of atoms
39
No. of bonds
41
Polar Surface Area
95.01
LOGP Value
3.36 (
Computed with XLOGP3
)
4.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Oc1ccc(cc1O)NS(=O)(=O)c1ccc(cc1)c1ccccc1
InChI String
InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,19-21H
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22894
Entrez Gene ID
NCBI Entrez Gene ID:
4317
ASD
Information of known allosteric effects of PDB entries
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