Browse entries in the PDBbind-CN Database
HEADER 4O62_COMPLEX COMPND 4O62_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 GLU ASN MET TYR VAL ASN LYS VAL TRP VAL GLN CYS GLU SEQRES 2 A 56 ASN GLU ASN CYS LEU LYS TRP ARG LEU LEU SER SER GLU SEQRES 3 A 56 ASP SER ALA LYS VAL ASP HIS ASP GLU PRO TRP TYR CYS SEQRES 4 A 56 PHE MET ASN THR ASP SER ARG TYR ASN ASN CYS SER ILE SEQRES 5 A 56 SER GLU GLU ASP SEQRES 1 B 57 GLU ASN MET TYR VAL ASN LYS VAL TRP VAL GLN CYS GLU SEQRES 2 B 57 ASN GLU ASN CYS LEU LYS TRP ARG LEU LEU SER SER GLU SEQRES 3 B 57 ASP SER ALA LYS VAL ASP HIS ASP GLU PRO TRP TYR CYS SEQRES 4 B 57 PHE MET ASN THR ASP SER ARG TYR ASN ASN CYS SER ILE SEQRES 5 B 57 SER GLU GLU ASP PHE SEQRES 1 C 57 VAL GLU ASN MET TYR VAL ASN LYS VAL TRP VAL GLN CYS SEQRES 2 C 57 GLU ASN GLU ASN CYS LEU LYS TRP ARG LEU LEU SER SER SEQRES 3 C 57 GLU ASP SER ALA LYS VAL ASP HIS ASP GLU PRO TRP TYR SEQRES 4 C 57 CYS PHE MET ASN THR ASP SER ARG TYR ASN ASN CYS SER SEQRES 5 C 57 ILE SER GLU GLU ASP HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ALA A 343 113 ATOM 1 N GLU A 22 10.778 46.820 33.436 1.00 56.46 N ATOM 2 CA GLU A 22 12.095 46.336 32.945 1.00 48.63 C ATOM 3 C GLU A 22 12.051 44.826 32.679 1.00 41.07 C ATOM 4 O GLU A 22 11.598 44.045 33.507 1.00 38.74 O ATOM 5 CB GLU A 22 13.195 46.662 33.936 1.00 54.14 C ATOM 6 CG GLU A 22 14.576 46.283 33.440 1.00 58.65 C ATOM 7 CD GLU A 22 15.681 46.472 34.496 1.00 72.42 C ATOM 8 OE1 GLU A 22 15.422 47.244 35.465 1.00 62.31 O ATOM 9 OE2 GLU A 22 16.800 45.846 34.347 1.00 64.01 O ATOM 10 HN3 GLU A 22 10.537 46.329 34.320 1.00 0.00 H ATOM 11 HN2 GLU A 22 10.049 46.625 32.720 1.00 0.00 H ATOM 12 HN1 GLU A 22 10.829 47.844 33.610 1.00 0.00 H ATOM 13 N ASN A 23 12.503 44.424 31.502 1.00 37.25 N ATOM 14 CA ASN A 23 12.449 43.020 31.096 1.00 33.44 C ATOM 15 C ASN A 23 13.474 42.252 31.918 1.00 29.89 C ATOM 16 O ASN A 23 14.639 42.640 32.028 1.00 29.31 O ATOM 17 CB ASN A 23 12.722 42.911 29.585 1.00 33.22 C ATOM 18 CG ASN A 23 12.282 41.595 28.987 1.00 29.33 C ATOM 19 OD1 ASN A 23 12.124 40.596 29.669 1.00 26.88 O ATOM 20 ND2 ASN A 23 12.145 41.579 27.669 1.00 30.52 N ATOM 21 HD22 ASN A 23 12.288 42.451 27.121 1.00 0.00 H ATOM 22 HD21 ASN A 23 11.895 40.694 27.183 1.00 0.00 H ATOM 23 H ASN A 23 12.907 45.125 30.849 1.00 0.00 H ATOM 24 N MET A 24 13.024 41.145 32.483 1.00 28.17 N ATOM 25 CA MET A 24 13.855 40.233 33.254 1.00 25.94 C ATOM 26 C MET A 24 14.337 39.021 32.454 1.00 25.41 C ATOM 27 O MET A 24 15.118 38.186 32.957 1.00 24.24 O ATOM 28 CB MET A 24 13.057 39.789 34.504 1.00 25.54 C ATOM 29 CG MET A 24 12.683 40.878 35.475 1.00 28.07 C ATOM 30 SD MET A 24 14.126 41.453 36.411 1.00 31.00 S ATOM 31 CE MET A 24 14.697 42.894 35.497 1.00 35.09 C ATOM 32 H MET A 24 12.017 40.912 32.370 1.00 0.00 H ATOM 33 N TYR A 25 13.938 38.927 31.178 1.00 23.65 N ATOM 34 CA TYR A 25 14.469 37.926 30.243 1.00 21.50 C ATOM 35 C TYR A 25 14.304 36.520 30.824 1.00 22.28 C ATOM 36 O TYR A 25 15.266 35.720 30.901 1.00 22.20 O ATOM 37 CB TYR A 25 15.926 38.209 29.852 1.00 22.76 C ATOM 38 CG TYR A 25 16.160 39.637 29.415 1.00 22.48 C ATOM 39 CD1 TYR A 25 15.497 40.162 28.292 1.00 22.61 C ATOM 40 CD2 TYR A 25 17.061 40.480 30.105 1.00 23.48 C ATOM 41 CE1 TYR A 25 15.697 41.467 27.892 1.00 23.97 C ATOM 42 CE2 TYR A 25 17.252 41.810 29.711 1.00 24.18 C ATOM 43 CZ TYR A 25 16.582 42.297 28.619 1.00 23.91 C ATOM 44 OH TYR A 25 16.808 43.580 28.240 1.00 25.35 O ATOM 45 HH TYR A 25 16.259 43.789 27.443 1.00 0.00 H ATOM 46 H TYR A 25 13.218 39.594 30.833 1.00 0.00 H ATOM 47 N VAL A 26 13.058 36.224 31.185 1.00 22.07 N ATOM 48 CA VAL A 26 12.719 34.928 31.778 1.00 22.24 C ATOM 49 C VAL A 26 12.180 33.984 30.665 1.00 20.76 C ATOM 50 O VAL A 26 11.328 34.390 29.829 1.00 21.86 O ATOM 51 CB VAL A 26 11.657 35.089 32.897 1.00 23.14 C ATOM 52 CG1 VAL A 26 11.378 33.724 33.552 1.00 23.35 C ATOM 53 CG2 VAL A 26 12.153 36.109 33.921 1.00 24.46 C ATOM 54 H VAL A 26 12.307 36.929 31.043 1.00 0.00 H ATOM 55 N ASN A 27 12.722 32.785 30.641 1.00 20.25 N ATOM 56 CA ASN A 27 12.342 31.807 29.639 1.00 21.66 C ATOM 57 C ASN A 27 10.881 31.385 29.774 1.00 21.93 C ATOM 58 O ASN A 27 10.304 31.538 30.846 1.00 23.24 O ATOM 59 CB ASN A 27 13.259 30.623 29.693 1.00 20.80 C ATOM 60 CG ASN A 27 14.694 30.980 29.420 1.00 22.54 C ATOM 61 OD1 ASN A 27 15.001 32.053 28.864 1.00 22.82 O ATOM 62 ND2 ASN A 27 15.586 30.122 29.835 1.00 22.02 N ATOM 63 HD22 ASN A 27 15.284 29.239 30.294 1.00 0.00 H ATOM 64 HD21 ASN A 27 16.599 30.322 29.707 1.00 0.00 H ATOM 65 H ASN A 27 13.436 32.534 31.354 1.00 0.00 H ATOM 66 N LYS A 28 10.304 30.841 28.688 1.00 21.47 N ATOM 67 CA LYS A 28 8.918 30.278 28.710 1.00 22.56 C ATOM 68 C LYS A 28 9.113 28.800 28.762 1.00 21.75 C ATOM 69 O LYS A 28 9.743 28.219 27.868 1.00 23.68 O ATOM 70 CB LYS A 28 8.119 30.717 27.495 1.00 23.58 C ATOM 71 CG LYS A 28 7.910 32.238 27.422 1.00 26.11 C ATOM 72 CD LYS A 28 7.236 32.673 26.158 1.00 30.59 C ATOM 73 CE LYS A 28 7.097 34.209 26.149 1.00 36.14 C ATOM 74 NZ LYS A 28 6.449 34.763 24.936 1.00 40.67 N ATOM 75 HZ1 LYS A 28 7.008 34.505 24.098 1.00 0.00 H ATOM 76 HZ2 LYS A 28 5.489 34.372 24.848 1.00 0.00 H ATOM 77 HZ3 LYS A 28 6.397 35.799 25.015 1.00 0.00 H ATOM 78 H LYS A 28 10.842 30.810 27.798 1.00 0.00 H ATOM 79 N VAL A 29 8.715 28.195 29.884 1.00 22.44 N ATOM 80 CA VAL A 29 9.092 26.825 30.128 1.00 21.73 C ATOM 81 C VAL A 29 7.863 25.864 30.129 1.00 22.47 C ATOM 82 O VAL A 29 6.756 26.252 30.494 1.00 22.76 O ATOM 83 CB VAL A 29 9.903 26.610 31.413 1.00 23.31 C ATOM 84 CG1 VAL A 29 11.125 27.571 31.422 1.00 24.62 C ATOM 85 CG2 VAL A 29 9.074 26.756 32.673 1.00 25.42 C ATOM 86 H VAL A 29 8.136 28.709 30.578 1.00 0.00 H ATOM 87 N TRP A 30 8.156 24.632 29.716 1.00 21.16 N ATOM 88 CA TRP A 30 7.213 23.522 29.832 1.00 23.53 C ATOM 89 C TRP A 30 7.310 22.838 31.184 1.00 22.71 C ATOM 90 O TRP A 30 8.417 22.527 31.668 1.00 23.71 O ATOM 91 CB TRP A 30 7.533 22.500 28.732 1.00 23.54 C ATOM 92 CG TRP A 30 7.141 22.924 27.364 1.00 24.26 C ATOM 93 CD1 TRP A 30 7.930 23.498 26.436 1.00 25.00 C ATOM 94 CD2 TRP A 30 5.838 22.772 26.738 1.00 25.12 C ATOM 95 NE1 TRP A 30 7.228 23.721 25.262 1.00 26.58 N ATOM 96 CE2 TRP A 30 5.946 23.285 25.420 1.00 26.71 C ATOM 97 CE3 TRP A 30 4.620 22.271 27.163 1.00 25.16 C ATOM 98 CZ2 TRP A 30 4.859 23.298 24.520 1.00 28.60 C ATOM 99 CZ3 TRP A 30 3.556 22.282 26.299 1.00 25.73 C ATOM 100 CH2 TRP A 30 3.667 22.806 24.990 1.00 26.79 C ATOM 101 HE1 TRP A 30 7.617 24.152 24.399 1.00 0.00 H ATOM 102 H TRP A 30 9.090 24.454 29.296 1.00 0.00 H ATOM 103 N VAL A 31 6.161 22.606 31.789 1.00 22.56 N ATOM 104 CA VAL A 31 6.047 21.892 33.042 1.00 21.98 C ATOM 105 C VAL A 31 4.954 20.809 32.887 1.00 25.15 C ATOM 106 O VAL A 31 3.963 21.033 32.209 1.00 24.05 O ATOM 107 CB VAL A 31 5.707 22.834 34.227 1.00 22.32 C ATOM 108 CG1 VAL A 31 6.823 23.838 34.478 1.00 20.33 C ATOM 109 CG2 VAL A 31 4.390 23.559 34.016 1.00 23.57 C ATOM 110 H VAL A 31 5.290 22.955 31.341 1.00 0.00 H ATOM 111 N GLN A 32 5.170 19.663 33.497 1.00 25.42 N ATOM 112 CA GLN A 32 4.179 18.589 33.502 1.00 27.19 C ATOM 113 C GLN A 32 3.352 18.554 34.799 1.00 27.36 C ATOM 114 O GLN A 32 3.891 18.556 35.910 1.00 28.16 O ATOM 115 CB GLN A 32 4.884 17.257 33.287 1.00 28.27 C ATOM 116 CG GLN A 32 3.923 16.156 32.879 1.00 29.06 C ATOM 117 CD GLN A 32 4.615 14.821 32.721 1.00 32.37 C ATOM 118 OE1 GLN A 32 5.793 14.668 33.050 1.00 32.32 O ATOM 119 NE2 GLN A 32 3.903 13.862 32.169 1.00 33.32 N ATOM 120 HE22 GLN A 32 2.912 14.035 31.907 1.00 0.00 H ATOM 121 HE21 GLN A 32 4.332 12.931 31.995 1.00 0.00 H ATOM 122 H GLN A 32 6.074 19.517 33.991 1.00 0.00 H ATOM 123 N CYS A 33 2.032 18.465 34.630 1.00 27.27 N ATOM 124 CA CYS A 33 1.108 18.340 35.718 1.00 28.76 C ATOM 125 C CYS A 33 1.431 17.058 36.493 1.00 30.89 C ATOM 126 O CYS A 33 1.746 16.002 35.893 1.00 31.91 O ATOM 127 CB CYS A 33 -0.311 18.278 35.198 1.00 29.03 C ATOM 128 SG CYS A 33 -1.551 18.122 36.478 1.00 30.69 S ATOM 129 H CYS A 33 1.655 18.487 33.661 1.00 0.00 H ATOM 130 N GLU A 34 1.404 17.175 37.816 1.00 30.70 N ATOM 131 CA GLU A 34 1.717 16.052 38.679 1.00 33.99 C ATOM 132 C GLU A 34 0.486 15.343 39.205 1.00 36.96 C ATOM 133 O GLU A 34 0.611 14.432 40.025 1.00 39.81 O ATOM 134 CB GLU A 34 2.676 16.481 39.805 1.00 35.98 C ATOM 135 CG GLU A 34 4.065 16.856 39.257 1.00 34.78 C ATOM 136 CD GLU A 34 4.991 17.426 40.308 1.00 37.58 C ATOM 137 OE1 GLU A 34 5.181 16.771 41.333 1.00 41.01 O ATOM 138 OE2 GLU A 34 5.536 18.515 40.075 1.00 35.02 O ATOM 139 H GLU A 34 1.153 18.090 38.242 1.00 0.00 H ATOM 140 N ASN A 35 -0.707 15.735 38.747 1.00 35.15 N ATOM 141 CA ASN A 35 -1.926 14.918 38.995 1.00 37.86 C ATOM 142 C ASN A 35 -1.757 13.636 38.154 1.00 36.49 C ATOM 143 O ASN A 35 -1.683 13.690 36.942 1.00 32.10 O ATOM 144 CB ASN A 35 -3.182 15.711 38.616 1.00 36.80 C ATOM 145 CG ASN A 35 -4.465 14.906 38.700 1.00 39.35 C ATOM 146 OD1 ASN A 35 -4.486 13.779 39.190 1.00 41.71 O ATOM 147 ND2 ASN A 35 -5.559 15.515 38.277 1.00 39.04 N ATOM 148 HD22 ASN A 35 -5.498 16.469 37.868 1.00 0.00 H ATOM 149 HD21 ASN A 35 -6.481 15.040 38.353 1.00 0.00 H ATOM 150 H ASN A 35 -0.784 16.622 38.210 1.00 0.00 H ATOM 151 N GLU A 36 -1.587 12.508 38.834 1.00 39.54 N ATOM 152 CA GLU A 36 -1.346 11.198 38.213 1.00 40.97 C ATOM 153 C GLU A 36 -2.492 10.815 37.248 1.00 40.60 C ATOM 154 O GLU A 36 -2.281 10.025 36.338 1.00 41.45 O ATOM 155 CB GLU A 36 -1.181 10.087 39.312 1.00 44.51 C ATOM 156 H GLU A 36 -1.627 12.555 39.872 1.00 0.00 H ATOM 157 N ASN A 37 -3.687 11.378 37.439 1.00 38.83 N ATOM 158 CA ASN A 37 -4.794 11.161 36.496 1.00 41.20 C ATOM 159 C ASN A 37 -4.640 11.970 35.202 1.00 39.86 C ATOM 160 O ASN A 37 -5.352 11.710 34.245 1.00 39.85 O ATOM 161 CB ASN A 37 -6.125 11.583 37.100 1.00 43.00 C ATOM 162 CG ASN A 37 -6.579 10.683 38.218 1.00 51.08 C ATOM 163 OD1 ASN A 37 -6.180 9.507 38.335 1.00 50.39 O ATOM 164 ND2 ASN A 37 -7.457 11.219 39.030 1.00 52.51 N ATOM 165 HD22 ASN A 37 -7.759 12.205 38.892 1.00 0.00 H ATOM 166 HD21 ASN A 37 -7.852 10.659 39.812 1.00 0.00 H ATOM 167 H ASN A 37 -3.838 11.982 38.272 1.00 0.00 H ATOM 168 N CYS A 38 -3.746 12.972 35.211 1.00 34.88 N ATOM 169 CA CYS A 38 -3.666 13.961 34.138 1.00 31.84 C ATOM 170 C CYS A 38 -2.346 13.868 33.414 1.00 31.42 C ATOM 171 O CYS A 38 -2.319 13.453 32.258 1.00 29.61 O ATOM 172 CB CYS A 38 -3.894 15.370 34.698 1.00 32.34 C ATOM 173 SG CYS A 38 -3.653 16.720 33.492 1.00 31.60 S ATOM 174 H CYS A 38 -3.086 13.047 36.011 1.00 0.00 H ATOM 175 N LEU A 39 -1.245 14.291 34.058 1.00 29.13 N ATOM 176 CA LEU A 39 0.102 14.203 33.450 1.00 30.67 C ATOM 177 C LEU A 39 0.297 15.002 32.141 1.00 28.21 C ATOM 178 O LEU A 39 1.250 14.781 31.422 1.00 30.16 O ATOM 179 CB LEU A 39 0.509 12.733 33.233 1.00 33.21 C ATOM 180 CG LEU A 39 0.473 11.891 34.532 1.00 35.99 C ATOM 181 CD1 LEU A 39 0.753 10.427 34.212 1.00 39.78 C ATOM 182 CD2 LEU A 39 1.473 12.426 35.573 1.00 38.38 C ATOM 183 H LEU A 39 -1.342 14.692 35.012 1.00 0.00 H ATOM 184 N LYS A 40 -0.578 15.978 31.886 1.00 27.87 N ATOM 185 CA LYS A 40 -0.440 16.841 30.725 1.00 26.31 C ATOM 186 C LYS A 40 0.708 17.870 30.885 1.00 25.51 C ATOM 187 O LYS A 40 0.992 18.325 31.976 1.00 25.12 O ATOM 188 CB LYS A 40 -1.752 17.565 30.441 1.00 26.98 C ATOM 189 CG LYS A 40 -2.932 16.653 30.022 1.00 27.98 C ATOM 190 CD LYS A 40 -4.213 17.458 29.906 1.00 29.10 C ATOM 191 CE LYS A 40 -5.467 16.637 29.686 1.00 31.58 C ATOM 192 NZ LYS A 40 -5.773 15.734 30.820 1.00 31.33 N ATOM 193 HZ1 LYS A 40 -4.982 15.073 30.959 1.00 0.00 H ATOM 194 HZ2 LYS A 40 -5.911 16.298 31.683 1.00 0.00 H ATOM 195 HZ3 LYS A 40 -6.640 15.199 30.612 1.00 0.00 H ATOM 196 H LYS A 40 -1.378 16.124 32.534 1.00 0.00 H ATOM 197 N TRP A 41 1.306 18.232 29.758 1.00 26.09 N ATOM 198 CA TRP A 41 2.361 19.226 29.666 1.00 25.25 C ATOM 199 C TRP A 41 1.763 20.602 29.332 1.00 25.71 C ATOM 200 O TRP A 41 0.833 20.723 28.504 1.00 26.21 O ATOM 201 CB TRP A 41 3.322 18.821 28.601 1.00 25.53 C ATOM 202 CG TRP A 41 4.235 17.727 29.009 1.00 26.53 C ATOM 203 CD1 TRP A 41 4.041 16.370 28.835 1.00 28.34 C ATOM 204 CD2 TRP A 41 5.526 17.877 29.638 1.00 26.92 C ATOM 205 NE1 TRP A 41 5.148 15.682 29.299 1.00 30.12 N ATOM 206 CE2 TRP A 41 6.065 16.571 29.806 1.00 27.72 C ATOM 207 CE3 TRP A 41 6.290 18.985 30.048 1.00 26.74 C ATOM 208 CZ2 TRP A 41 7.311 16.339 30.390 1.00 27.78 C ATOM 209 CZ3 TRP A 41 7.560 18.754 30.627 1.00 27.33 C ATOM 210 CH2 TRP A 41 8.056 17.425 30.779 1.00 29.76 C ATOM 211 HE1 TRP A 41 5.268 14.649 29.269 1.00 0.00 H ATOM 212 H TRP A 41 0.998 17.772 28.878 1.00 0.00 H ATOM 213 N ARG A 42 2.321 21.629 29.972 1.00 24.03 N ATOM 214 CA ARG A 42 1.778 22.981 29.927 1.00 24.13 C ATOM 215 C ARG A 42 2.944 23.925 29.667 1.00 23.36 C ATOM 216 O ARG A 42 3.994 23.797 30.316 1.00 23.31 O ATOM 217 CB ARG A 42 1.116 23.373 31.254 1.00 25.14 C ATOM 218 CG ARG A 42 -0.114 22.549 31.662 1.00 25.64 C ATOM 219 CD ARG A 42 -1.145 22.450 30.560 1.00 26.48 C ATOM 220 NE ARG A 42 -2.355 21.766 31.024 1.00 26.58 N ATOM 221 CZ ARG A 42 -3.371 21.397 30.234 1.00 28.31 C ATOM 222 NH1 ARG A 42 -3.333 21.646 28.923 1.00 27.06 N ATOM 223 NH2 ARG A 42 -4.458 20.808 30.782 1.00 29.12 N ATOM 224 HE ARG A 42 -2.430 21.552 32.039 1.00 0.00 H ATOM 225 HH12 ARG A 42 -4.126 21.356 28.316 1.00 0.00 H ATOM 226 HH11 ARG A 42 -2.510 22.130 28.509 1.00 0.00 H ATOM 227 HH22 ARG A 42 -5.253 20.518 30.177 1.00 0.00 H ATOM 228 HH21 ARG A 42 -4.499 20.645 31.808 1.00 0.00 H ATOM 229 H ARG A 42 3.183 21.458 30.529 1.00 0.00 H ATOM 230 N LEU A 43 2.733 24.855 28.744 1.00 23.67 N ATOM 231 CA LEU A 43 3.769 25.866 28.453 1.00 23.72 C ATOM 232 C LEU A 43 3.399 27.139 29.213 1.00 25.82 C ATOM 233 O LEU A 43 2.301 27.690 29.004 1.00 28.03 O ATOM 234 CB LEU A 43 3.817 26.124 26.964 1.00 26.73 C ATOM 235 CG LEU A 43 4.767 27.245 26.502 1.00 28.93 C ATOM 236 CD1 LEU A 43 6.195 26.954 26.899 1.00 27.62 C ATOM 237 CD2 LEU A 43 4.577 27.416 24.995 1.00 31.49 C ATOM 238 H LEU A 43 1.833 24.872 28.223 1.00 0.00 H ATOM 239 N LEU A 44 4.321 27.591 30.056 1.00 26.23 N ATOM 240 CA LEU A 44 4.080 28.713 30.973 1.00 25.40 C ATOM 241 C LEU A 44 4.526 30.043 30.356 1.00 25.17 C ATOM 242 O LEU A 44 5.496 30.111 29.584 1.00 24.83 O ATOM 243 CB LEU A 44 4.803 28.501 32.276 1.00 26.33 C ATOM 244 CG LEU A 44 4.461 27.230 33.074 1.00 25.85 C ATOM 245 CD1 LEU A 44 5.146 27.232 34.434 1.00 26.22 C ATOM 246 CD2 LEU A 44 2.967 27.162 33.202 1.00 28.78 C ATOM 247 H LEU A 44 5.254 27.131 30.067 1.00 0.00 H ATOM 248 N SER A 45 3.803 31.076 30.707 1.00 25.26 N ATOM 249 CA SER A 45 4.290 32.453 30.483 1.00 26.76 C ATOM 250 C SER A 45 5.634 32.664 31.182 1.00 24.29 C ATOM 251 O SER A 45 6.038 31.921 32.082 1.00 24.84 O ATOM 252 CB SER A 45 3.263 33.439 31.044 1.00 29.49 C ATOM 253 OG SER A 45 3.178 33.362 32.480 1.00 27.79 O ATOM 254 HG SER A 45 2.909 32.447 32.745 1.00 0.00 H ATOM 255 H SER A 45 2.874 30.926 31.149 1.00 0.00 H ATOM 256 N SER A 46 6.345 33.703 30.760 1.00 25.21 N ATOM 257 CA SER A 46 7.587 34.101 31.416 1.00 26.23 C ATOM 258 C SER A 46 7.353 34.377 32.896 1.00 25.70 C ATOM 259 O SER A 46 8.137 33.950 33.728 1.00 26.10 O ATOM 260 CB SER A 46 8.221 35.329 30.699 1.00 25.33 C ATOM 261 OG SER A 46 8.784 34.894 29.456 1.00 25.61 O ATOM 262 HG SER A 46 9.191 35.667 28.991 1.00 0.00 H ATOM 263 H SER A 46 6.008 34.248 29.941 1.00 0.00 H ATOM 264 N GLU A 47 6.289 35.092 33.214 1.00 27.56 N ATOM 265 CA GLU A 47 6.012 35.415 34.609 1.00 30.69 C ATOM 266 C GLU A 47 5.753 34.171 35.457 1.00 29.44 C ATOM 267 O GLU A 47 6.319 34.015 36.530 1.00 27.12 O ATOM 268 CB GLU A 47 4.858 36.363 34.705 1.00 35.13 C ATOM 269 CG GLU A 47 4.583 36.788 36.126 1.00 45.00 C ATOM 270 CD GLU A 47 3.760 38.055 36.212 1.00 53.80 C ATOM 271 OE1 GLU A 47 2.545 37.913 36.410 1.00 51.30 O ATOM 272 OE2 GLU A 47 4.337 39.174 36.100 1.00 64.27 O ATOM 273 H GLU A 47 5.647 35.426 32.467 1.00 0.00 H ATOM 274 N ASP A 48 4.934 33.248 34.949 1.00 27.92 N ATOM 275 CA ASP A 48 4.647 32.016 35.689 1.00 27.94 C ATOM 276 C ASP A 48 5.885 31.149 35.811 1.00 25.34 C ATOM 277 O ASP A 48 6.063 30.474 36.836 1.00 26.77 O ATOM 278 CB ASP A 48 3.496 31.218 35.035 1.00 28.30 C ATOM 279 CG ASP A 48 2.149 31.782 35.356 1.00 32.62 C ATOM 280 OD1 ASP A 48 2.049 32.622 36.280 1.00 34.47 O ATOM 281 OD2 ASP A 48 1.168 31.413 34.664 1.00 34.06 O ATOM 282 H ASP A 48 4.495 33.404 34.019 1.00 0.00 H ATOM 283 N SER A 49 6.740 31.180 34.792 1.00 23.02 N ATOM 284 CA SER A 49 7.967 30.420 34.769 1.00 23.81 C ATOM 285 C SER A 49 8.926 30.873 35.918 1.00 23.20 C ATOM 286 O SER A 49 9.557 30.049 36.569 1.00 24.28 O ATOM 287 CB SER A 49 8.679 30.497 33.385 1.00 22.60 C ATOM 288 OG SER A 49 7.851 29.957 32.330 1.00 23.11 O ATOM 289 HG SER A 49 7.008 30.473 32.277 1.00 0.00 H ATOM 290 H SER A 49 6.514 31.780 33.973 1.00 0.00 H ATOM 291 N ALA A 50 9.029 32.188 36.121 1.00 24.49 N ATOM 292 CA ALA A 50 9.776 32.733 37.262 1.00 25.03 C ATOM 293 C ALA A 50 9.195 32.338 38.607 1.00 25.92 C ATOM 294 O ALA A 50 9.928 32.127 39.555 1.00 25.66 O ATOM 295 CB ALA A 50 9.825 34.248 37.181 1.00 25.73 C ATOM 296 H ALA A 50 8.570 32.842 35.456 1.00 0.00 H ATOM 297 N LYS A 51 7.856 32.274 38.682 1.00 26.04 N ATOM 298 CA LYS A 51 7.192 32.096 39.952 1.00 29.18 C ATOM 299 C LYS A 51 7.123 30.634 40.401 1.00 30.36 C ATOM 300 O LYS A 51 6.857 30.367 41.569 1.00 31.34 O ATOM 301 CB LYS A 51 5.782 32.687 39.882 1.00 30.20 C ATOM 302 CG LYS A 51 5.722 34.208 39.811 1.00 35.46 C ATOM 303 CD LYS A 51 4.244 34.626 39.650 1.00 39.48 C ATOM 304 CE LYS A 51 4.065 36.126 39.634 1.00 46.14 C ATOM 305 H LYS A 51 7.289 32.354 37.814 1.00 0.00 H ATOM 306 N VAL A 52 7.328 29.689 39.487 1.00 27.34 N ATOM 307 CA VAL A 52 7.254 28.273 39.867 1.00 29.95 C ATOM 308 C VAL A 52 8.154 27.975 41.075 1.00 31.58 C ATOM 309 O VAL A 52 9.344 28.295 41.070 1.00 29.28 O ATOM 310 CB VAL A 52 7.664 27.322 38.736 1.00 29.57 C ATOM 311 CG1 VAL A 52 7.860 25.892 39.270 1.00 34.31 C ATOM 312 CG2 VAL A 52 6.625 27.341 37.646 1.00 29.48 C ATOM 313 H VAL A 52 7.541 29.953 38.504 1.00 0.00 H ATOM 314 N ASP A 53 7.556 27.346 42.090 1.00 32.09 N ATOM 315 CA ASP A 53 8.279 26.807 43.228 1.00 36.46 C ATOM 316 C ASP A 53 8.673 25.378 42.873 1.00 36.07 C ATOM 317 O ASP A 53 7.837 24.472 42.811 1.00 35.93 O ATOM 318 CB ASP A 53 7.378 26.790 44.480 1.00 41.54 C ATOM 319 CG ASP A 53 8.147 26.460 45.774 1.00 47.96 C ATOM 320 OD1 ASP A 53 9.297 25.962 45.725 1.00 44.90 O ATOM 321 OD2 ASP A 53 7.591 26.752 46.842 1.00 55.31 O ATOM 322 H ASP A 53 6.522 27.237 42.064 1.00 0.00 H ATOM 323 N HIS A 54 9.954 25.188 42.638 1.00 36.46 N ATOM 324 CA HIS A 54 10.507 23.884 42.264 1.00 37.79 C ATOM 325 C HIS A 54 10.593 22.898 43.418 1.00 40.19 C ATOM 326 O HIS A 54 10.956 21.774 43.193 1.00 43.09 O ATOM 327 CB HIS A 54 11.890 24.089 41.636 1.00 37.20 C ATOM 328 CG HIS A 54 11.836 24.916 40.389 1.00 36.74 C ATOM 329 ND1 HIS A 54 11.631 24.366 39.140 1.00 39.12 N ATOM 330 CD2 HIS A 54 11.823 26.263 40.209 1.00 35.45 C ATOM 331 CE1 HIS A 54 11.545 25.333 38.236 1.00 38.17 C ATOM 332 NE2 HIS A 54 11.684 26.495 38.857 1.00 33.81 N ATOM 333 H HIS A 54 10.601 25.998 42.721 1.00 0.00 H ATOM 334 N ASP A 55 10.278 23.329 44.648 1.00 42.34 N ATOM 335 CA ASP A 55 10.275 22.451 45.818 1.00 46.53 C ATOM 336 C ASP A 55 8.881 21.904 46.109 1.00 46.61 C ATOM 337 O ASP A 55 8.718 21.157 47.065 1.00 47.69 O ATOM 338 CB ASP A 55 10.731 23.199 47.069 1.00 48.66 C ATOM 339 CG ASP A 55 12.212 23.528 47.058 1.00 54.84 C ATOM 340 OD1 ASP A 55 12.946 23.026 46.182 1.00 53.13 O ATOM 341 OD2 ASP A 55 12.643 24.288 47.957 1.00 60.05 O ATOM 342 H ASP A 55 10.025 24.330 44.776 1.00 0.00 H ATOM 343 N GLU A 56 7.884 22.322 45.321 1.00 43.85 N ATOM 344 CA GLU A 56 6.515 21.895 45.475 1.00 46.24 C ATOM 345 C GLU A 56 6.000 21.237 44.164 1.00 41.65 C ATOM 346 O GLU A 56 6.472 21.546 43.074 1.00 39.88 O ATOM 347 CB GLU A 56 5.606 23.100 45.790 1.00 48.70 C ATOM 348 CG GLU A 56 5.977 23.898 47.024 1.00 57.36 C ATOM 349 CD GLU A 56 5.871 23.094 48.307 1.00 63.78 C ATOM 350 OE1 GLU A 56 4.994 22.210 48.404 1.00 63.39 O ATOM 351 OE2 GLU A 56 6.679 23.348 49.225 1.00 71.35 O ATOM 352 H GLU A 56 8.108 22.991 44.557 1.00 0.00 H ATOM 353 N PRO A 57 4.998 20.351 44.281 1.00 41.73 N ATOM 354 CA PRO A 57 4.290 19.820 43.097 1.00 39.36 C ATOM 355 C PRO A 57 3.633 20.914 42.284 1.00 36.29 C ATOM 356 O PRO A 57 3.227 21.936 42.836 1.00 38.62 O ATOM 357 CB PRO A 57 3.203 18.907 43.689 1.00 41.46 C ATOM 358 CG PRO A 57 3.580 18.673 45.088 1.00 45.11 C ATOM 359 CD PRO A 57 4.531 19.750 45.537 1.00 44.91 C ATOM 360 N TRP A 58 3.563 20.704 40.978 1.00 34.05 N ATOM 361 CA TRP A 58 2.894 21.609 40.067 1.00 31.81 C ATOM 362 C TRP A 58 1.728 20.878 39.394 1.00 33.58 C ATOM 363 O TRP A 58 1.868 19.715 39.014 1.00 31.70 O ATOM 364 CB TRP A 58 3.878 22.129 39.015 1.00 30.78 C ATOM 365 CG TRP A 58 3.293 23.272 38.260 1.00 29.06 C ATOM 366 CD1 TRP A 58 3.434 24.622 38.572 1.00 30.09 C ATOM 367 CD2 TRP A 58 2.451 23.214 37.100 1.00 28.49 C ATOM 368 NE1 TRP A 58 2.725 25.389 37.674 1.00 29.68 N ATOM 369 CE2 TRP A 58 2.101 24.565 36.768 1.00 28.45 C ATOM 370 CE3 TRP A 58 1.928 22.160 36.308 1.00 27.10 C ATOM 371 CZ2 TRP A 58 1.295 24.888 35.679 1.00 29.42 C ATOM 372 CZ3 TRP A 58 1.109 22.490 35.203 1.00 26.81 C ATOM 373 CH2 TRP A 58 0.786 23.838 34.907 1.00 29.46 C ATOM 374 HE1 TRP A 58 2.670 26.428 37.680 1.00 0.00 H ATOM 375 H TRP A 58 4.009 19.849 40.589 1.00 0.00 H ATOM 376 N TYR A 59 0.604 21.579 39.274 1.00 32.22 N ATOM 377 CA TYR A 59 -0.656 21.052 38.707 1.00 32.12 C ATOM 378 C TYR A 59 -1.255 22.097 37.793 1.00 32.94 C ATOM 379 O TYR A 59 -1.025 23.299 37.950 1.00 29.27 O ATOM 380 CB TYR A 59 -1.657 20.756 39.819 1.00 33.37 C ATOM 381 CG TYR A 59 -1.137 19.853 40.924 1.00 37.00 C ATOM 382 CD1 TYR A 59 -0.922 18.504 40.694 1.00 40.06 C ATOM 383 CD2 TYR A 59 -0.881 20.346 42.204 1.00 39.84 C ATOM 384 CE1 TYR A 59 -0.449 17.662 41.701 1.00 40.62 C ATOM 385 CE2 TYR A 59 -0.427 19.511 43.229 1.00 41.53 C ATOM 386 CZ TYR A 59 -0.207 18.181 42.966 1.00 41.18 C ATOM 387 OH TYR A 59 0.240 17.349 43.944 1.00 46.10 O ATOM 388 HH TYR A 59 0.341 16.435 43.577 1.00 0.00 H ATOM 389 H TYR A 59 0.612 22.566 39.602 1.00 0.00 H ATOM 390 N CYS A 60 -2.092 21.633 36.877 1.00 31.30 N ATOM 391 CA CYS A 60 -2.671 22.464 35.838 1.00 30.11 C ATOM 392 C CYS A 60 -3.312 23.739 36.343 1.00 30.41 C ATOM 393 O CYS A 60 -3.184 24.809 35.693 1.00 31.68 O ATOM 394 CB CYS A 60 -3.750 21.648 35.048 1.00 30.35 C ATOM 395 SG CYS A 60 -3.062 20.437 33.914 1.00 29.28 S ATOM 396 H CYS A 60 -2.346 20.625 36.904 1.00 0.00 H ATOM 397 N PHE A 61 -4.014 23.642 37.467 1.00 31.14 N ATOM 398 CA PHE A 61 -4.774 24.771 37.985 1.00 35.78 C ATOM 399 C PHE A 61 -3.871 25.935 38.401 1.00 35.95 C ATOM 400 O PHE A 61 -4.360 27.029 38.610 1.00 36.66 O ATOM 401 CB PHE A 61 -5.713 24.387 39.136 1.00 40.01 C ATOM 402 CG PHE A 61 -5.012 24.021 40.424 1.00 43.83 C ATOM 403 CD1 PHE A 61 -4.738 24.997 41.382 1.00 45.96 C ATOM 404 CD2 PHE A 61 -4.669 22.696 40.698 1.00 45.86 C ATOM 405 CE1 PHE A 61 -4.117 24.665 42.573 1.00 48.32 C ATOM 406 CE2 PHE A 61 -4.043 22.360 41.890 1.00 48.54 C ATOM 407 CZ PHE A 61 -3.755 23.348 42.818 1.00 49.38 C ATOM 408 H PHE A 61 -4.021 22.742 37.987 1.00 0.00 H ATOM 409 N MET A 62 -2.591 25.654 38.547 1.00 32.68 N ATOM 410 CA MET A 62 -1.588 26.686 38.955 1.00 35.08 C ATOM 411 C MET A 62 -1.112 27.526 37.772 1.00 34.97 C ATOM 412 O MET A 62 -0.463 28.557 37.966 1.00 33.62 O ATOM 413 CB MET A 62 -0.416 26.021 39.678 1.00 34.02 C ATOM 414 CG MET A 62 -0.845 25.354 40.994 1.00 37.51 C ATOM 415 SD MET A 62 0.351 24.162 41.639 1.00 39.87 S ATOM 416 CE MET A 62 1.743 25.244 41.978 1.00 39.12 C ATOM 417 H MET A 62 -2.268 24.681 38.372 1.00 0.00 H ATOM 418 N ASN A 63 -1.464 27.111 36.554 1.00 33.32 N ATOM 419 CA ASN A 63 -1.206 27.883 35.342 1.00 33.81 C ATOM 420 C ASN A 63 -2.150 29.103 35.293 1.00 35.24 C ATOM 421 O ASN A 63 -3.371 28.954 35.401 1.00 36.57 O ATOM 422 CB ASN A 63 -1.442 26.967 34.120 1.00 33.95 C ATOM 423 CG ASN A 63 -0.904 27.527 32.828 1.00 34.91 C ATOM 424 OD1 ASN A 63 -0.430 28.678 32.762 1.00 33.53 O ATOM 425 ND2 ASN A 63 -0.950 26.713 31.776 1.00 31.69 N ATOM 426 HD22 ASN A 63 -1.354 25.760 31.873 1.00 0.00 H ATOM 427 HD21 ASN A 63 -0.582 27.030 30.856 1.00 0.00 H ATOM 428 H ASN A 63 -1.945 26.194 36.463 1.00 0.00 H ATOM 429 N THR A 64 -1.621 30.314 35.154 1.00 33.15 N ATOM 430 CA THR A 64 -2.518 31.479 35.001 1.00 38.38 C ATOM 431 C THR A 64 -3.012 31.674 33.549 1.00 40.26 C ATOM 432 O THR A 64 -3.862 32.521 33.305 1.00 37.33 O ATOM 433 CB THR A 64 -1.898 32.785 35.558 1.00 43.78 C ATOM 434 OG1 THR A 64 -0.835 33.230 34.707 1.00 41.28 O ATOM 435 CG2 THR A 64 -1.395 32.566 37.006 1.00 41.58 C ATOM 436 HG1 THR A 64 -0.135 32.531 34.663 1.00 0.00 H ATOM 437 H THR A 64 -0.589 30.441 35.153 1.00 0.00 H ATOM 438 N ASP A 65 -2.499 30.869 32.601 1.00 39.46 N ATOM 439 CA ASP A 65 -3.008 30.845 31.237 1.00 37.75 C ATOM 440 C ASP A 65 -4.425 30.234 31.248 1.00 37.84 C ATOM 441 O ASP A 65 -4.585 29.030 31.399 1.00 36.05 O ATOM 442 CB ASP A 65 -2.102 30.028 30.345 1.00 37.65 C ATOM 443 CG ASP A 65 -2.584 29.950 28.937 1.00 39.31 C ATOM 444 OD1 ASP A 65 -3.691 30.467 28.603 1.00 41.23 O ATOM 445 OD2 ASP A 65 -1.834 29.364 28.154 1.00 40.27 O ATOM 446 H ASP A 65 -1.709 30.240 32.852 1.00 0.00 H ATOM 447 N SER A 66 -5.434 31.069 31.104 1.00 41.07 N ATOM 448 CA SER A 66 -6.789 30.595 31.285 1.00 46.38 C ATOM 449 C SER A 66 -7.252 29.651 30.148 1.00 44.97 C ATOM 450 O SER A 66 -8.324 29.075 30.241 1.00 47.84 O ATOM 451 CB SER A 66 -7.768 31.750 31.517 1.00 53.03 C ATOM 452 OG SER A 66 -7.909 32.548 30.369 1.00 57.02 O ATOM 453 HG SER A 66 -7.029 32.929 30.123 1.00 0.00 H ATOM 454 H SER A 66 -5.257 32.065 30.861 1.00 0.00 H ATOM 455 N ARG A 67 -6.437 29.489 29.099 1.00 44.76 N ATOM 456 CA ARG A 67 -6.751 28.574 27.999 1.00 47.36 C ATOM 457 C ARG A 67 -6.398 27.139 28.370 1.00 40.82 C ATOM 458 O ARG A 67 -6.995 26.201 27.830 1.00 39.75 O ATOM 459 CB ARG A 67 -5.999 28.941 26.713 1.00 50.63 C ATOM 460 CG ARG A 67 -6.345 30.302 26.093 1.00 60.32 C ATOM 461 CD ARG A 67 -5.265 30.742 25.091 1.00 66.84 C ATOM 462 NE ARG A 67 -3.895 30.629 25.661 1.00 70.59 N ATOM 463 CZ ARG A 67 -2.768 30.434 24.954 1.00 72.23 C ATOM 464 NH1 ARG A 67 -2.793 30.332 23.621 1.00 72.40 N ATOM 465 NH2 ARG A 67 -1.600 30.326 25.584 1.00 65.62 N ATOM 466 HE ARG A 67 -3.801 30.708 26.694 1.00 0.00 H ATOM 467 HH12 ARG A 67 -1.909 30.181 23.094 1.00 0.00 H ATOM 468 HH11 ARG A 67 -3.696 30.403 23.111 1.00 0.00 H ATOM 469 HH22 ARG A 67 -0.727 30.175 25.039 1.00 0.00 H ATOM 470 HH21 ARG A 67 -1.560 30.392 26.621 1.00 0.00 H ATOM 471 H ARG A 67 -5.550 30.031 29.064 1.00 0.00 H ATOM 472 N TYR A 68 -5.427 26.964 29.257 1.00 37.72 N ATOM 473 CA TYR A 68 -4.829 25.622 29.522 1.00 35.87 C ATOM 474 C TYR A 68 -4.639 25.360 31.015 1.00 34.00 C ATOM 475 O TYR A 68 -3.674 24.723 31.419 1.00 44.16 O ATOM 476 CB TYR A 68 -3.494 25.455 28.758 1.00 33.96 C ATOM 477 CG TYR A 68 -3.636 25.521 27.247 1.00 36.39 C ATOM 478 CD1 TYR A 68 -4.231 24.476 26.541 1.00 36.85 C ATOM 479 CD2 TYR A 68 -3.197 26.618 26.525 1.00 37.44 C ATOM 480 CE1 TYR A 68 -4.398 24.534 25.171 1.00 42.47 C ATOM 481 CE2 TYR A 68 -3.345 26.676 25.148 1.00 40.05 C ATOM 482 CZ TYR A 68 -3.945 25.630 24.481 1.00 42.83 C ATOM 483 OH TYR A 68 -4.121 25.652 23.126 1.00 48.28 O ATOM 484 HH TYR A 68 -4.567 24.816 22.839 1.00 0.00 H ATOM 485 H TYR A 68 -5.071 27.787 29.784 1.00 0.00 H ATOM 486 N ASN A 69 -5.546 25.897 31.836 1.00 34.07 N ATOM 487 CA ASN A 69 -5.336 25.940 33.293 1.00 36.49 C ATOM 488 C ASN A 69 -6.211 24.939 34.047 1.00 36.38 C ATOM 489 O ASN A 69 -6.662 25.228 35.160 1.00 34.97 O ATOM 490 CB ASN A 69 -5.622 27.361 33.826 1.00 39.98 C ATOM 491 CG ASN A 69 -7.066 27.792 33.568 1.00 45.40 C ATOM 492 OD1 ASN A 69 -7.827 27.122 32.851 1.00 46.56 O ATOM 493 ND2 ASN A 69 -7.453 28.890 34.156 1.00 53.64 N ATOM 494 HD22 ASN A 69 -6.787 29.425 34.749 1.00 0.00 H ATOM 495 HD21 ASN A 69 -8.428 29.231 34.032 1.00 0.00 H ATOM 496 H ASN A 69 -6.421 26.294 31.437 1.00 0.00 H ATOM 497 N ASN A 70 -6.506 23.784 33.435 1.00 34.80 N ATOM 498 CA ASN A 70 -7.309 22.777 34.114 1.00 36.45 C ATOM 499 C ASN A 70 -6.967 21.408 33.510 1.00 34.14 C ATOM 500 O ASN A 70 -6.733 21.295 32.298 1.00 33.24 O ATOM 501 CB ASN A 70 -8.791 23.126 34.023 1.00 39.38 C ATOM 502 CG ASN A 70 -9.626 22.421 35.083 1.00 43.68 C ATOM 503 OD1 ASN A 70 -9.983 21.259 34.927 1.00 39.45 O ATOM 504 ND2 ASN A 70 -9.938 23.123 36.170 1.00 44.06 N ATOM 505 HD22 ASN A 70 -9.615 24.107 36.264 1.00 0.00 H ATOM 506 HD21 ASN A 70 -10.505 22.687 36.926 1.00 0.00 H ATOM 507 H ASN A 70 -6.160 23.606 32.471 1.00 0.00 H ATOM 508 N CYS A 71 -6.905 20.395 34.375 1.00 33.34 N ATOM 509 CA CYS A 71 -6.620 19.009 33.977 1.00 32.16 C ATOM 510 C CYS A 71 -7.604 18.486 32.929 1.00 32.76 C ATOM 511 O CYS A 71 -7.262 17.611 32.144 1.00 32.39 O ATOM 512 CB CYS A 71 -6.633 18.106 35.220 1.00 34.13 C ATOM 513 SG CYS A 71 -5.313 18.414 36.443 1.00 33.36 S ATOM 514 H CYS A 71 -7.067 20.596 35.383 1.00 0.00 H ATOM 515 N SER A 72 -8.812 19.036 32.900 1.00 31.55 N ATOM 516 CA SER A 72 -9.841 18.601 31.951 1.00 34.77 C ATOM 517 C SER A 72 -9.649 19.209 30.549 1.00 34.30 C ATOM 518 O SER A 72 -10.301 18.796 29.623 1.00 34.70 O ATOM 519 CB SER A 72 -11.216 18.921 32.511 1.00 37.12 C ATOM 520 OG SER A 72 -11.456 20.302 32.454 1.00 42.10 O ATOM 521 HG SER A 72 -10.771 20.777 32.988 1.00 0.00 H ATOM 522 H SER A 72 -9.035 19.799 33.571 1.00 0.00 H ATOM 523 N ILE A 73 -8.726 20.165 30.408 1.00 32.82 N ATOM 524 CA ILE A 73 -8.412 20.783 29.130 1.00 33.25 C ATOM 525 C ILE A 73 -7.272 20.047 28.417 1.00 31.39 C ATOM 526 O ILE A 73 -6.239 19.764 29.042 1.00 30.83 O ATOM 527 CB ILE A 73 -8.041 22.278 29.302 1.00 35.11 C ATOM 528 CG1 ILE A 73 -9.201 23.033 29.990 1.00 37.74 C ATOM 529 CG2 ILE A 73 -7.720 22.923 27.949 1.00 36.96 C ATOM 530 CD1 ILE A 73 -8.815 24.401 30.539 1.00 38.70 C ATOM 531 H ILE A 73 -8.208 20.482 31.252 1.00 0.00 H ATOM 532 N SER A 74 -7.454 19.782 27.106 1.00 32.53 N ATOM 533 CA SER A 74 -6.446 19.089 26.299 1.00 33.91 C ATOM 534 C SER A 74 -5.119 19.819 26.325 1.00 33.83 C ATOM 535 O SER A 74 -5.077 21.039 26.500 1.00 32.32 O ATOM 536 CB SER A 74 -6.899 18.954 24.850 1.00 38.79 C ATOM 537 OG SER A 74 -5.950 18.202 24.114 1.00 41.00 O ATOM 538 HG SER A 74 -6.253 18.120 23.175 1.00 0.00 H ATOM 539 H SER A 74 -8.341 20.080 26.653 1.00 0.00 H ATOM 540 N GLU A 75 -4.043 19.068 26.140 1.00 33.70 N ATOM 541 CA GLU A 75 -2.717 19.630 25.988 1.00 33.58 C ATOM 542 C GLU A 75 -2.701 20.480 24.711 1.00 34.82 C ATOM 543 O GLU A 75 -3.336 20.139 23.709 1.00 35.36 O ATOM 544 CB GLU A 75 -1.752 18.455 25.893 1.00 34.71 C ATOM 545 CG GLU A 75 -0.332 18.770 26.022 1.00 33.28 C ATOM 546 CD GLU A 75 0.520 17.511 26.130 1.00 31.23 C ATOM 547 OE1 GLU A 75 0.555 16.829 27.208 1.00 28.71 O ATOM 548 OE2 GLU A 75 1.206 17.290 25.158 1.00 32.44 O ATOM 549 H GLU A 75 -4.155 18.035 26.103 1.00 0.00 H ATOM 550 N GLU A 76 -2.013 21.612 24.769 1.00 34.37 N ATOM 551 CA GLU A 76 -1.850 22.524 23.630 1.00 39.61 C ATOM 552 C GLU A 76 -1.162 21.846 22.428 1.00 44.99 C ATOM 553 O GLU A 76 -0.249 21.077 22.620 1.00 46.61 O ATOM 554 CB GLU A 76 -0.971 23.678 24.103 1.00 44.68 C ATOM 555 CG GLU A 76 -0.467 24.613 23.037 1.00 53.45 C ATOM 556 CD GLU A 76 0.103 25.897 23.638 1.00 56.99 C ATOM 557 OE1 GLU A 76 0.637 25.860 24.799 1.00 40.16 O ATOM 558 OE2 GLU A 76 -0.035 26.944 22.941 1.00 61.76 O ATOM 559 H GLU A 76 -1.564 21.868 25.671 1.00 0.00 H ATOM 560 N ASP A 77 -1.571 22.170 21.206 1.00 51.28 N ATOM 561 CA ASP A 77 -0.729 21.878 20.031 1.00 63.91 C ATOM 562 C ASP A 77 0.447 22.838 19.959 1.00 66.77 C ATOM 563 O ASP A 77 1.423 22.573 19.270 1.00 82.32 O ATOM 564 CB ASP A 77 -1.531 21.984 18.756 1.00 68.61 C ATOM 565 CG ASP A 77 -2.728 21.061 18.756 1.00 69.05 C ATOM 566 OD1 ASP A 77 -2.622 19.925 19.268 1.00 71.81 O ATOM 567 OD2 ASP A 77 -3.782 21.480 18.274 1.00 73.97 O ATOM 568 H ASP A 77 -2.493 22.634 21.077 1.00 0.00 H TER 569 ASP A 77 ATOM 570 N GLU B 22 16.354 -4.750 47.601 1.00 92.51 N ATOM 571 CA GLU B 22 17.826 -4.654 47.821 1.00 90.67 C ATOM 572 C GLU B 22 18.433 -3.668 46.804 1.00 83.09 C ATOM 573 O GLU B 22 17.709 -2.998 46.058 1.00 77.04 O ATOM 574 CB GLU B 22 18.478 -6.053 47.728 1.00 88.52 C ATOM 575 HN3 GLU B 22 16.170 -5.090 46.635 1.00 0.00 H ATOM 576 HN2 GLU B 22 15.924 -3.812 47.727 1.00 0.00 H ATOM 577 HN1 GLU B 22 15.945 -5.415 48.288 1.00 0.00 H ATOM 578 N ASN B 23 19.758 -3.565 46.790 1.00 82.89 N ATOM 579 CA ASN B 23 20.460 -2.782 45.765 1.00 79.70 C ATOM 580 C ASN B 23 20.465 -3.572 44.446 1.00 73.63 C ATOM 581 O ASN B 23 20.823 -4.765 44.429 1.00 73.22 O ATOM 582 CB ASN B 23 21.900 -2.475 46.221 1.00 82.47 C ATOM 583 CG ASN B 23 22.676 -1.609 45.225 1.00 81.60 C ATOM 584 OD1 ASN B 23 22.110 -0.974 44.337 1.00 74.74 O ATOM 585 ND2 ASN B 23 23.991 -1.586 45.383 1.00 89.29 N ATOM 586 HD22 ASN B 23 24.433 -2.137 46.146 1.00 0.00 H ATOM 587 HD21 ASN B 23 24.582 -1.017 44.744 1.00 0.00 H ATOM 588 H ASN B 23 20.312 -4.051 47.524 1.00 0.00 H ATOM 589 N MET B 24 20.057 -2.910 43.359 1.00 67.26 N ATOM 590 CA MET B 24 20.034 -3.524 42.025 1.00 61.57 C ATOM 591 C MET B 24 21.350 -3.353 41.218 1.00 61.10 C ATOM 592 O MET B 24 21.498 -3.953 40.138 1.00 58.97 O ATOM 593 CB MET B 24 18.843 -2.990 41.222 1.00 56.04 C ATOM 594 CG MET B 24 17.474 -3.413 41.736 1.00 56.05 C ATOM 595 SD MET B 24 17.234 -5.205 41.668 1.00 55.19 S ATOM 596 CE MET B 24 17.690 -5.773 43.299 1.00 59.96 C ATOM 597 H MET B 24 19.744 -1.923 43.462 1.00 0.00 H ATOM 598 N TYR B 25 22.293 -2.554 41.735 1.00 59.28 N ATOM 599 CA TYR B 25 23.617 -2.366 41.106 1.00 56.21 C ATOM 600 C TYR B 25 23.510 -1.966 39.626 1.00 50.48 C ATOM 601 O TYR B 25 24.220 -2.487 38.773 1.00 48.12 O ATOM 602 CB TYR B 25 24.458 -3.635 41.236 1.00 57.66 C ATOM 603 CG TYR B 25 24.743 -4.060 42.658 1.00 64.38 C ATOM 604 CD1 TYR B 25 25.770 -3.463 43.383 1.00 66.88 C ATOM 605 CD2 TYR B 25 23.999 -5.074 43.280 1.00 65.66 C ATOM 606 CE1 TYR B 25 26.046 -3.854 44.682 1.00 72.44 C ATOM 607 CE2 TYR B 25 24.263 -5.462 44.584 1.00 69.84 C ATOM 608 CZ TYR B 25 25.294 -4.847 45.272 1.00 72.84 C ATOM 609 OH TYR B 25 25.590 -5.204 46.550 1.00 81.45 O ATOM 610 HH TYR B 25 26.351 -4.660 46.876 1.00 0.00 H ATOM 611 H TYR B 25 22.084 -2.044 42.617 1.00 0.00 H ATOM 612 N VAL B 26 22.622 -1.037 39.323 1.00 45.88 N ATOM 613 CA VAL B 26 22.406 -0.644 37.936 1.00 43.78 C ATOM 614 C VAL B 26 23.399 0.444 37.567 1.00 44.81 C ATOM 615 O VAL B 26 23.546 1.406 38.312 1.00 45.56 O ATOM 616 CB VAL B 26 20.975 -0.136 37.723 1.00 40.51 C ATOM 617 CG1 VAL B 26 20.724 0.217 36.256 1.00 38.41 C ATOM 618 CG2 VAL B 26 19.974 -1.171 38.250 1.00 42.09 C ATOM 619 H VAL B 26 22.072 -0.582 40.080 1.00 0.00 H ATOM 620 N ASN B 27 24.045 0.323 36.414 1.00 44.17 N ATOM 621 CA ASN B 27 24.936 1.366 35.931 1.00 45.94 C ATOM 622 C ASN B 27 24.172 2.458 35.251 1.00 44.48 C ATOM 623 O ASN B 27 23.122 2.230 34.620 1.00 42.21 O ATOM 624 CB ASN B 27 25.968 0.811 34.967 1.00 47.14 C ATOM 625 CG ASN B 27 26.924 -0.118 35.647 1.00 54.94 C ATOM 626 OD1 ASN B 27 27.064 -0.092 36.870 1.00 57.82 O ATOM 627 ND2 ASN B 27 27.560 -0.985 34.873 1.00 58.79 N ATOM 628 HD22 ASN B 27 27.411 -0.970 33.844 1.00 0.00 H ATOM 629 HD21 ASN B 27 28.208 -1.680 35.295 1.00 0.00 H ATOM 630 H ASN B 27 23.911 -0.536 35.844 1.00 0.00 H ATOM 631 N LYS B 28 24.706 3.675 35.381 1.00 42.40 N ATOM 632 CA LYS B 28 24.205 4.811 34.654 1.00 39.52 C ATOM 633 C LYS B 28 24.640 4.706 33.179 1.00 36.93 C ATOM 634 O LYS B 28 25.774 4.275 32.878 1.00 38.26 O ATOM 635 CB LYS B 28 24.751 6.104 35.287 1.00 42.29 C ATOM 636 CG LYS B 28 24.284 6.283 36.723 1.00 47.56 C ATOM 637 CD LYS B 28 25.021 7.402 37.461 1.00 55.66 C ATOM 638 CE LYS B 28 24.709 8.733 36.832 1.00 56.52 C ATOM 639 NZ LYS B 28 25.102 9.829 37.757 1.00 65.60 N ATOM 640 HZ1 LYS B 28 24.573 9.736 38.648 1.00 0.00 H ATOM 641 HZ2 LYS B 28 26.122 9.769 37.950 1.00 0.00 H ATOM 642 HZ3 LYS B 28 24.884 10.746 37.318 1.00 0.00 H ATOM 643 H LYS B 28 25.509 3.806 36.028 1.00 0.00 H ATOM 644 N VAL B 29 23.755 5.071 32.267 1.00 34.63 N ATOM 645 CA VAL B 29 24.106 5.110 30.833 1.00 37.01 C ATOM 646 C VAL B 29 23.894 6.526 30.292 1.00 34.60 C ATOM 647 O VAL B 29 23.073 7.279 30.812 1.00 34.49 O ATOM 648 CB VAL B 29 23.251 4.178 29.918 1.00 38.64 C ATOM 649 CG1 VAL B 29 23.566 2.733 30.210 1.00 44.66 C ATOM 650 CG2 VAL B 29 21.751 4.472 30.047 1.00 38.58 C ATOM 651 H VAL B 29 22.794 5.335 32.565 1.00 0.00 H ATOM 652 N TRP B 30 24.617 6.839 29.225 1.00 36.87 N ATOM 653 CA TRP B 30 24.263 7.982 28.375 1.00 37.62 C ATOM 654 C TRP B 30 23.225 7.534 27.353 1.00 36.21 C ATOM 655 O TRP B 30 23.316 6.416 26.784 1.00 35.76 O ATOM 656 CB TRP B 30 25.479 8.517 27.622 1.00 39.95 C ATOM 657 CG TRP B 30 26.533 9.115 28.496 1.00 41.58 C ATOM 658 CD1 TRP B 30 27.612 8.471 29.051 1.00 44.33 C ATOM 659 CD2 TRP B 30 26.655 10.507 28.868 1.00 41.18 C ATOM 660 NE1 TRP B 30 28.380 9.365 29.766 1.00 45.12 N ATOM 661 CE2 TRP B 30 27.823 10.623 29.665 1.00 44.75 C ATOM 662 CE3 TRP B 30 25.898 11.653 28.604 1.00 38.92 C ATOM 663 CZ2 TRP B 30 28.237 11.851 30.225 1.00 45.95 C ATOM 664 CZ3 TRP B 30 26.310 12.875 29.159 1.00 41.75 C ATOM 665 CH2 TRP B 30 27.471 12.960 29.960 1.00 42.48 C ATOM 666 HE1 TRP B 30 29.242 9.129 30.297 1.00 0.00 H ATOM 667 H TRP B 30 25.450 6.264 28.986 1.00 0.00 H ATOM 668 N VAL B 31 22.261 8.403 27.103 1.00 32.89 N ATOM 669 CA VAL B 31 21.264 8.215 26.046 1.00 32.61 C ATOM 670 C VAL B 31 21.197 9.484 25.201 1.00 35.03 C ATOM 671 O VAL B 31 21.348 10.608 25.748 1.00 32.26 O ATOM 672 CB VAL B 31 19.869 7.849 26.657 1.00 33.46 C ATOM 673 CG1 VAL B 31 19.321 8.939 27.565 1.00 31.30 C ATOM 674 CG2 VAL B 31 18.873 7.520 25.573 1.00 33.51 C ATOM 675 H VAL B 31 22.208 9.263 27.685 1.00 0.00 H ATOM 676 N GLN B 32 21.002 9.318 23.900 1.00 32.28 N ATOM 677 CA GLN B 32 20.911 10.462 22.991 1.00 33.83 C ATOM 678 C GLN B 32 19.467 10.855 22.726 1.00 33.15 C ATOM 679 O GLN B 32 18.605 10.023 22.350 1.00 31.45 O ATOM 680 CB GLN B 32 21.614 10.179 21.680 1.00 35.00 C ATOM 681 CG GLN B 32 21.793 11.418 20.836 1.00 36.14 C ATOM 682 CD GLN B 32 22.565 11.178 19.572 1.00 40.29 C ATOM 683 OE1 GLN B 32 22.527 10.083 18.985 1.00 40.03 O ATOM 684 NE2 GLN B 32 23.266 12.201 19.124 1.00 40.97 N ATOM 685 HE22 GLN B 32 23.269 13.099 19.648 1.00 0.00 H ATOM 686 HE21 GLN B 32 23.816 12.110 18.246 1.00 0.00 H ATOM 687 H GLN B 32 20.912 8.355 23.517 1.00 0.00 H ATOM 688 N CYS B 33 19.196 12.140 22.861 1.00 30.35 N ATOM 689 CA CYS B 33 17.927 12.702 22.397 1.00 29.94 C ATOM 690 C CYS B 33 17.736 12.532 20.868 1.00 30.87 C ATOM 691 O CYS B 33 18.653 12.780 20.064 1.00 34.38 O ATOM 692 CB CYS B 33 17.834 14.188 22.787 1.00 29.39 C ATOM 693 SG CYS B 33 16.261 14.907 22.335 1.00 29.34 S ATOM 694 H CYS B 33 19.898 12.765 23.306 1.00 0.00 H ATOM 695 N GLU B 34 16.531 12.110 20.476 1.00 32.33 N ATOM 696 CA GLU B 34 16.200 11.904 19.078 1.00 33.66 C ATOM 697 C GLU B 34 15.433 13.065 18.462 1.00 35.94 C ATOM 698 O GLU B 34 15.005 12.977 17.325 1.00 35.92 O ATOM 699 CB GLU B 34 15.487 10.557 18.889 1.00 37.36 C ATOM 700 CG GLU B 34 16.434 9.446 19.213 1.00 36.15 C ATOM 701 CD GLU B 34 15.824 8.077 19.081 1.00 39.23 C ATOM 702 OE1 GLU B 34 15.086 7.847 18.119 1.00 39.01 O ATOM 703 OE2 GLU B 34 16.113 7.256 19.941 1.00 37.54 O ATOM 704 H GLU B 34 15.805 11.923 21.197 1.00 0.00 H ATOM 705 N ASN B 35 15.310 14.184 19.191 1.00 31.41 N ATOM 706 CA ASN B 35 14.825 15.420 18.568 1.00 31.52 C ATOM 707 C ASN B 35 15.945 15.842 17.587 1.00 34.33 C ATOM 708 O ASN B 35 17.094 16.084 18.017 1.00 32.23 O ATOM 709 CB ASN B 35 14.598 16.472 19.629 1.00 29.76 C ATOM 710 CG ASN B 35 14.182 17.814 19.051 1.00 30.40 C ATOM 711 OD1 ASN B 35 14.018 17.962 17.845 1.00 33.32 O ATOM 712 ND2 ASN B 35 13.998 18.781 19.912 1.00 30.30 N ATOM 713 HD22 ASN B 35 14.149 18.610 20.927 1.00 0.00 H ATOM 714 HD21 ASN B 35 13.701 19.721 19.582 1.00 0.00 H ATOM 715 H ASN B 35 15.559 14.175 20.201 1.00 0.00 H ATOM 716 N GLU B 36 15.617 15.879 16.286 1.00 35.69 N ATOM 717 CA GLU B 36 16.595 16.169 15.206 1.00 39.80 C ATOM 718 C GLU B 36 17.235 17.555 15.443 1.00 38.71 C ATOM 719 O GLU B 36 18.347 17.812 15.028 1.00 39.44 O ATOM 720 CB GLU B 36 15.917 16.125 13.809 1.00 41.27 C ATOM 721 H GLU B 36 14.628 15.695 16.021 1.00 0.00 H ATOM 722 N ASN B 37 16.519 18.428 16.141 1.00 37.10 N ATOM 723 CA ASN B 37 17.028 19.761 16.464 1.00 38.63 C ATOM 724 C ASN B 37 17.994 19.771 17.621 1.00 36.25 C ATOM 725 O ASN B 37 18.664 20.787 17.856 1.00 34.81 O ATOM 726 CB ASN B 37 15.878 20.677 16.838 1.00 37.54 C ATOM 727 CG ASN B 37 14.975 20.969 15.676 1.00 39.94 C ATOM 728 OD1 ASN B 37 15.401 21.011 14.515 1.00 41.66 O ATOM 729 ND2 ASN B 37 13.725 21.182 15.975 1.00 39.19 N ATOM 730 HD22 ASN B 37 13.412 21.136 16.966 1.00 0.00 H ATOM 731 HD21 ASN B 37 13.040 21.398 15.223 1.00 0.00 H ATOM 732 H ASN B 37 15.570 18.157 16.467 1.00 0.00 H ATOM 733 N CYS B 38 18.031 18.672 18.375 1.00 32.52 N ATOM 734 CA CYS B 38 18.760 18.619 19.624 1.00 31.59 C ATOM 735 C CYS B 38 19.942 17.673 19.557 1.00 32.57 C ATOM 736 O CYS B 38 21.088 18.123 19.476 1.00 32.39 O ATOM 737 CB CYS B 38 17.807 18.229 20.759 1.00 27.84 C ATOM 738 SG CYS B 38 18.568 18.061 22.355 1.00 28.33 S ATOM 739 H CYS B 38 17.519 17.825 18.055 1.00 0.00 H ATOM 740 N LEU B 39 19.668 16.363 19.611 1.00 33.33 N ATOM 741 CA LEU B 39 20.683 15.311 19.478 1.00 33.71 C ATOM 742 C LEU B 39 21.700 15.310 20.601 1.00 34.11 C ATOM 743 O LEU B 39 22.805 14.739 20.471 1.00 34.75 O ATOM 744 CB LEU B 39 21.387 15.390 18.125 1.00 38.39 C ATOM 745 CG LEU B 39 20.502 15.281 16.878 1.00 39.29 C ATOM 746 CD1 LEU B 39 21.376 15.335 15.618 1.00 44.81 C ATOM 747 CD2 LEU B 39 19.690 13.995 16.940 1.00 40.56 C ATOM 748 H LEU B 39 18.679 16.075 19.755 1.00 0.00 H ATOM 749 N LYS B 40 21.339 15.914 21.726 1.00 31.49 N ATOM 750 CA LYS B 40 22.238 15.949 22.894 1.00 30.93 C ATOM 751 C LYS B 40 22.265 14.598 23.642 1.00 31.61 C ATOM 752 O LYS B 40 21.286 13.884 23.677 1.00 29.53 O ATOM 753 CB LYS B 40 21.822 17.035 23.878 1.00 30.13 C ATOM 754 CG LYS B 40 21.994 18.483 23.335 1.00 31.05 C ATOM 755 CD LYS B 40 21.434 19.480 24.347 1.00 29.37 C ATOM 756 CE LYS B 40 21.492 20.923 23.847 1.00 29.31 C ATOM 757 NZ LYS B 40 20.496 21.245 22.791 1.00 28.64 N ATOM 758 HZ1 LYS B 40 20.655 20.630 21.967 1.00 0.00 H ATOM 759 HZ2 LYS B 40 19.537 21.089 23.162 1.00 0.00 H ATOM 760 HZ3 LYS B 40 20.602 22.240 22.508 1.00 0.00 H ATOM 761 H LYS B 40 20.406 16.370 21.785 1.00 0.00 H ATOM 762 N TRP B 41 23.406 14.320 24.254 1.00 33.15 N ATOM 763 CA TRP B 41 23.600 13.154 25.104 1.00 34.37 C ATOM 764 C TRP B 41 23.315 13.514 26.540 1.00 35.65 C ATOM 765 O TRP B 41 23.784 14.552 27.039 1.00 35.62 O ATOM 766 CB TRP B 41 25.032 12.655 24.961 1.00 36.11 C ATOM 767 CG TRP B 41 25.288 11.983 23.707 1.00 37.76 C ATOM 768 CD1 TRP B 41 25.824 12.517 22.573 1.00 40.75 C ATOM 769 CD2 TRP B 41 25.069 10.586 23.428 1.00 40.94 C ATOM 770 NE1 TRP B 41 25.953 11.543 21.603 1.00 42.57 N ATOM 771 CE2 TRP B 41 25.493 10.353 22.099 1.00 42.68 C ATOM 772 CE3 TRP B 41 24.556 9.517 24.175 1.00 38.08 C ATOM 773 CZ2 TRP B 41 25.407 9.089 21.492 1.00 44.43 C ATOM 774 CZ3 TRP B 41 24.475 8.273 23.576 1.00 39.28 C ATOM 775 CH2 TRP B 41 24.900 8.064 22.250 1.00 40.80 C ATOM 776 HE1 TRP B 41 26.338 11.690 20.648 1.00 0.00 H ATOM 777 H TRP B 41 24.207 14.970 24.120 1.00 0.00 H ATOM 778 N ARG B 42 22.534 12.664 27.196 1.00 31.33 N ATOM 779 CA ARG B 42 22.086 12.845 28.576 1.00 30.42 C ATOM 780 C ARG B 42 22.499 11.670 29.441 1.00 33.00 C ATOM 781 O ARG B 42 22.304 10.514 29.051 1.00 33.52 O ATOM 782 CB ARG B 42 20.590 12.917 28.607 1.00 29.58 C ATOM 783 CG ARG B 42 20.008 14.053 27.785 1.00 29.72 C ATOM 784 CD ARG B 42 20.621 15.373 28.194 1.00 27.93 C ATOM 785 NE ARG B 42 19.871 16.478 27.612 1.00 26.91 N ATOM 786 CZ ARG B 42 20.268 17.757 27.653 1.00 27.85 C ATOM 787 NH1 ARG B 42 21.402 18.084 28.258 1.00 29.05 N ATOM 788 NH2 ARG B 42 19.497 18.689 27.137 1.00 28.12 N ATOM 789 HE ARG B 42 18.972 16.261 27.136 1.00 0.00 H ATOM 790 HH12 ARG B 42 21.708 19.078 28.288 1.00 0.00 H ATOM 791 HH11 ARG B 42 21.986 17.347 28.702 1.00 0.00 H ATOM 792 HH22 ARG B 42 19.796 19.685 27.164 1.00 0.00 H ATOM 793 HH21 ARG B 42 18.588 18.430 26.702 1.00 0.00 H ATOM 794 H ARG B 42 22.219 11.810 26.693 1.00 0.00 H ATOM 795 N LEU B 43 23.044 11.961 30.612 1.00 32.45 N ATOM 796 CA LEU B 43 23.513 10.909 31.552 1.00 35.03 C ATOM 797 C LEU B 43 22.395 10.537 32.525 1.00 34.76 C ATOM 798 O LEU B 43 21.973 11.347 33.349 1.00 34.27 O ATOM 799 CB LEU B 43 24.733 11.402 32.333 1.00 36.70 C ATOM 800 CG LEU B 43 25.325 10.423 33.349 1.00 39.24 C ATOM 801 CD1 LEU B 43 25.634 9.078 32.693 1.00 38.99 C ATOM 802 CD2 LEU B 43 26.568 11.032 33.991 1.00 44.18 C ATOM 803 H LEU B 43 23.148 12.960 30.884 1.00 0.00 H ATOM 804 N LEU B 44 21.874 9.319 32.410 1.00 32.96 N ATOM 805 CA LEU B 44 20.714 8.942 33.211 1.00 32.55 C ATOM 806 C LEU B 44 21.076 8.408 34.569 1.00 34.38 C ATOM 807 O LEU B 44 22.130 7.762 34.745 1.00 37.70 O ATOM 808 CB LEU B 44 19.898 7.890 32.470 1.00 35.10 C ATOM 809 CG LEU B 44 19.399 8.221 31.080 1.00 32.93 C ATOM 810 CD1 LEU B 44 18.614 7.061 30.497 1.00 36.47 C ATOM 811 CD2 LEU B 44 18.524 9.471 31.137 1.00 35.90 C ATOM 812 H LEU B 44 22.294 8.635 31.749 1.00 0.00 H ATOM 813 N SER B 45 20.191 8.629 35.533 1.00 33.95 N ATOM 814 CA SER B 45 20.306 7.972 36.830 1.00 36.81 C ATOM 815 C SER B 45 20.283 6.459 36.627 1.00 35.85 C ATOM 816 O SER B 45 19.868 5.966 35.568 1.00 34.80 O ATOM 817 CB SER B 45 19.145 8.340 37.754 1.00 37.41 C ATOM 818 OG SER B 45 17.891 7.969 37.185 1.00 37.72 O ATOM 819 HG SER B 45 17.161 8.220 37.805 1.00 0.00 H ATOM 820 H SER B 45 19.401 9.283 35.360 1.00 0.00 H ATOM 821 N SER B 46 20.723 5.744 37.653 1.00 39.08 N ATOM 822 CA SER B 46 20.634 4.265 37.672 1.00 39.88 C ATOM 823 C SER B 46 19.205 3.827 37.424 1.00 40.10 C ATOM 824 O SER B 46 18.944 2.964 36.580 1.00 38.76 O ATOM 825 CB SER B 46 21.109 3.744 39.000 1.00 42.97 C ATOM 826 OG SER B 46 22.501 3.969 39.097 1.00 44.65 O ATOM 827 HG SER B 46 22.963 3.494 38.362 1.00 0.00 H ATOM 828 H SER B 46 21.143 6.235 38.468 1.00 0.00 H ATOM 829 N GLU B 47 18.274 4.454 38.131 1.00 40.81 N ATOM 830 CA GLU B 47 16.864 4.101 38.016 1.00 43.77 C ATOM 831 C GLU B 47 16.326 4.335 36.609 1.00 39.65 C ATOM 832 O GLU B 47 15.656 3.480 36.033 1.00 37.15 O ATOM 833 CB GLU B 47 16.030 4.870 39.053 1.00 50.87 C ATOM 834 CG GLU B 47 14.531 4.779 38.817 1.00 58.18 C ATOM 835 CD GLU B 47 13.707 4.783 40.101 1.00 66.58 C ATOM 836 OE1 GLU B 47 13.473 3.680 40.666 1.00 74.39 O ATOM 837 OE2 GLU B 47 13.267 5.869 40.519 1.00 68.13 O ATOM 838 H GLU B 47 18.556 5.214 38.782 1.00 0.00 H ATOM 839 N ASP B 48 16.605 5.507 36.038 1.00 36.57 N ATOM 840 CA ASP B 48 16.174 5.759 34.659 1.00 34.17 C ATOM 841 C ASP B 48 16.875 4.860 33.656 1.00 31.17 C ATOM 842 O ASP B 48 16.283 4.503 32.623 1.00 32.01 O ATOM 843 CB ASP B 48 16.397 7.234 34.289 1.00 33.55 C ATOM 844 CG ASP B 48 15.311 8.149 34.856 1.00 38.31 C ATOM 845 OD1 ASP B 48 14.279 7.630 35.359 1.00 42.37 O ATOM 846 OD2 ASP B 48 15.497 9.407 34.792 1.00 37.33 O ATOM 847 H ASP B 48 17.124 6.237 36.566 1.00 0.00 H ATOM 848 N SER B 49 18.122 4.469 33.956 1.00 31.23 N ATOM 849 CA SER B 49 18.914 3.663 33.052 1.00 32.16 C ATOM 850 C SER B 49 18.319 2.222 32.945 1.00 35.30 C ATOM 851 O SER B 49 18.304 1.625 31.851 1.00 35.00 O ATOM 852 CB SER B 49 20.373 3.601 33.498 1.00 35.23 C ATOM 853 OG SER B 49 20.954 4.918 33.459 1.00 34.35 O ATOM 854 HG SER B 49 20.452 5.517 34.066 1.00 0.00 H ATOM 855 H SER B 49 18.533 4.754 34.868 1.00 0.00 H ATOM 856 N ALA B 50 17.810 1.708 34.062 1.00 35.34 N ATOM 857 CA ALA B 50 17.120 0.391 34.077 1.00 35.67 C ATOM 858 C ALA B 50 15.818 0.435 33.285 1.00 36.74 C ATOM 859 O ALA B 50 15.443 -0.530 32.636 1.00 36.51 O ATOM 860 CB ALA B 50 16.824 -0.007 35.511 1.00 38.51 C ATOM 861 H ALA B 50 17.897 2.243 34.950 1.00 0.00 H ATOM 862 N LYS B 51 15.134 1.591 33.331 1.00 36.07 N ATOM 863 CA LYS B 51 13.803 1.723 32.761 1.00 36.72 C ATOM 864 C LYS B 51 13.804 2.005 31.279 1.00 35.83 C ATOM 865 O LYS B 51 12.802 1.750 30.602 1.00 36.39 O ATOM 866 CB LYS B 51 13.036 2.837 33.441 1.00 38.87 C ATOM 867 CG LYS B 51 12.679 2.566 34.873 1.00 44.19 C ATOM 868 CD LYS B 51 12.023 3.806 35.436 1.00 47.87 C ATOM 869 CE LYS B 51 11.536 3.544 36.831 1.00 53.30 C ATOM 870 NZ LYS B 51 11.182 4.805 37.526 1.00 59.84 N ATOM 871 HZ1 LYS B 51 12.021 5.418 37.578 1.00 0.00 H ATOM 872 HZ2 LYS B 51 10.429 5.290 36.998 1.00 0.00 H ATOM 873 HZ3 LYS B 51 10.849 4.588 38.487 1.00 0.00 H ATOM 874 H LYS B 51 15.570 2.417 33.789 1.00 0.00 H ATOM 875 N VAL B 52 14.909 2.529 30.762 1.00 33.98 N ATOM 876 CA VAL B 52 14.984 2.967 29.361 1.00 34.03 C ATOM 877 C VAL B 52 14.512 1.858 28.445 1.00 35.59 C ATOM 878 O VAL B 52 14.999 0.754 28.543 1.00 36.13 O ATOM 879 CB VAL B 52 16.434 3.371 28.966 1.00 33.17 C ATOM 880 CG1 VAL B 52 16.636 3.358 27.450 1.00 32.44 C ATOM 881 CG2 VAL B 52 16.754 4.745 29.515 1.00 32.74 C ATOM 882 H VAL B 52 15.748 2.633 31.368 1.00 0.00 H ATOM 883 N ASP B 53 13.577 2.146 27.555 1.00 35.94 N ATOM 884 CA ASP B 53 13.170 1.148 26.566 1.00 39.83 C ATOM 885 C ASP B 53 14.094 1.308 25.363 1.00 38.56 C ATOM 886 O ASP B 53 13.965 2.260 24.573 1.00 36.56 O ATOM 887 CB ASP B 53 11.709 1.355 26.142 1.00 40.59 C ATOM 888 CG ASP B 53 11.222 0.273 25.181 1.00 45.35 C ATOM 889 OD1 ASP B 53 12.049 -0.409 24.559 1.00 42.61 O ATOM 890 OD2 ASP B 53 10.001 0.128 25.049 1.00 48.85 O ATOM 891 H ASP B 53 13.130 3.085 27.558 1.00 0.00 H ATOM 892 N HIS B 54 15.006 0.348 25.209 1.00 38.08 N ATOM 893 CA HIS B 54 15.991 0.428 24.132 1.00 40.68 C ATOM 894 C HIS B 54 15.378 0.321 22.712 1.00 42.79 C ATOM 895 O HIS B 54 16.041 0.636 21.733 1.00 41.89 O ATOM 896 CB HIS B 54 17.083 -0.648 24.350 1.00 43.03 C ATOM 897 CG HIS B 54 17.851 -0.452 25.622 1.00 44.84 C ATOM 898 ND1 HIS B 54 19.064 0.206 25.666 1.00 44.65 N ATOM 899 CD2 HIS B 54 17.545 -0.762 26.906 1.00 44.37 C ATOM 900 CE1 HIS B 54 19.489 0.250 26.916 1.00 44.04 C ATOM 901 NE2 HIS B 54 18.575 -0.307 27.689 1.00 43.89 N ATOM 902 H HIS B 54 15.017 -0.463 25.860 1.00 0.00 H ATOM 903 N ASP B 55 14.123 -0.138 22.609 1.00 42.98 N ATOM 904 CA ASP B 55 13.487 -0.335 21.321 1.00 45.56 C ATOM 905 C ASP B 55 12.641 0.841 20.904 1.00 46.07 C ATOM 906 O ASP B 55 12.015 0.774 19.866 1.00 44.88 O ATOM 907 CB ASP B 55 12.598 -1.602 21.338 1.00 47.98 C ATOM 908 CG ASP B 55 13.395 -2.894 21.576 1.00 53.47 C ATOM 909 OD1 ASP B 55 14.520 -3.042 21.054 1.00 53.89 O ATOM 910 OD2 ASP B 55 12.879 -3.785 22.268 1.00 52.01 O ATOM 911 H ASP B 55 13.592 -0.359 23.475 1.00 0.00 H ATOM 912 N GLU B 56 12.609 1.913 21.706 1.00 41.40 N ATOM 913 CA GLU B 56 11.775 3.074 21.423 1.00 42.64 C ATOM 914 C GLU B 56 12.621 4.334 21.415 1.00 38.06 C ATOM 915 O GLU B 56 13.675 4.377 22.038 1.00 36.76 O ATOM 916 CB GLU B 56 10.686 3.240 22.502 1.00 43.46 C ATOM 917 CG GLU B 56 9.741 2.049 22.613 1.00 49.88 C ATOM 918 CD GLU B 56 8.852 1.869 21.395 1.00 52.39 C ATOM 919 OE1 GLU B 56 8.566 2.865 20.718 1.00 57.16 O ATOM 920 OE2 GLU B 56 8.432 0.722 21.125 1.00 62.12 O ATOM 921 H GLU B 56 13.201 1.917 22.561 1.00 0.00 H ATOM 922 N PRO B 57 12.130 5.382 20.738 1.00 37.69 N ATOM 923 CA PRO B 57 12.798 6.677 20.753 1.00 35.63 C ATOM 924 C PRO B 57 12.950 7.211 22.161 1.00 33.78 C ATOM 925 O PRO B 57 12.156 6.880 23.052 1.00 34.81 O ATOM 926 CB PRO B 57 11.865 7.591 19.958 1.00 35.85 C ATOM 927 CG PRO B 57 10.793 6.735 19.385 1.00 40.30 C ATOM 928 CD PRO B 57 10.943 5.341 19.867 1.00 40.35 C ATOM 929 N TRP B 58 13.979 8.033 22.363 1.00 32.86 N ATOM 930 CA TRP B 58 14.172 8.719 23.628 1.00 30.35 C ATOM 931 C TRP B 58 14.366 10.202 23.327 1.00 30.50 C ATOM 932 O TRP B 58 14.995 10.546 22.317 1.00 29.63 O ATOM 933 CB TRP B 58 15.384 8.142 24.407 1.00 31.71 C ATOM 934 CG TRP B 58 15.428 8.621 25.837 1.00 32.21 C ATOM 935 CD1 TRP B 58 14.851 8.038 26.933 1.00 31.92 C ATOM 936 CD2 TRP B 58 16.055 9.825 26.311 1.00 31.62 C ATOM 937 NE1 TRP B 58 15.098 8.783 28.057 1.00 34.19 N ATOM 938 CE2 TRP B 58 15.841 9.886 27.703 1.00 31.52 C ATOM 939 CE3 TRP B 58 16.800 10.835 25.695 1.00 31.68 C ATOM 940 CZ2 TRP B 58 16.313 10.916 28.474 1.00 30.80 C ATOM 941 CZ3 TRP B 58 17.285 11.866 26.476 1.00 29.04 C ATOM 942 CH2 TRP B 58 17.040 11.898 27.844 1.00 29.63 C ATOM 943 HE1 TRP B 58 14.777 8.553 29.019 1.00 0.00 H ATOM 944 H TRP B 58 14.662 8.187 21.594 1.00 0.00 H ATOM 945 N TYR B 59 13.791 11.049 24.181 1.00 28.40 N ATOM 946 CA TYR B 59 13.918 12.523 24.071 1.00 29.37 C ATOM 947 C TYR B 59 14.196 13.131 25.450 1.00 27.06 C ATOM 948 O TYR B 59 13.824 12.572 26.473 1.00 25.92 O ATOM 949 CB TYR B 59 12.613 13.088 23.545 1.00 30.56 C ATOM 950 CG TYR B 59 12.113 12.415 22.299 1.00 32.73 C ATOM 951 CD1 TYR B 59 12.666 12.711 21.053 1.00 34.12 C ATOM 952 CD2 TYR B 59 11.089 11.470 22.354 1.00 33.70 C ATOM 953 CE1 TYR B 59 12.210 12.091 19.893 1.00 37.55 C ATOM 954 CE2 TYR B 59 10.639 10.842 21.198 1.00 37.74 C ATOM 955 CZ TYR B 59 11.216 11.171 19.971 1.00 36.88 C ATOM 956 OH TYR B 59 10.777 10.592 18.831 1.00 40.58 O ATOM 957 HH TYR B 59 9.818 10.801 18.704 1.00 0.00 H ATOM 958 H TYR B 59 13.226 10.658 24.962 1.00 0.00 H ATOM 959 N CYS B 60 14.803 14.326 25.483 1.00 27.54 N ATOM 960 CA CYS B 60 15.227 14.940 26.732 1.00 25.97 C ATOM 961 C CYS B 60 14.109 15.043 27.743 1.00 26.21 C ATOM 962 O CYS B 60 14.361 14.859 28.938 1.00 26.79 O ATOM 963 CB CYS B 60 15.767 16.371 26.480 1.00 25.74 C ATOM 964 SG CYS B 60 17.304 16.487 25.591 1.00 28.31 S ATOM 965 H CYS B 60 14.976 14.829 24.589 1.00 0.00 H ATOM 966 N PHE B 61 12.862 15.288 27.301 1.00 24.62 N ATOM 967 CA PHE B 61 11.767 15.477 28.265 1.00 26.19 C ATOM 968 C PHE B 61 11.478 14.230 29.094 1.00 29.05 C ATOM 969 O PHE B 61 10.810 14.310 30.124 1.00 28.43 O ATOM 970 CB PHE B 61 10.477 15.964 27.618 1.00 28.39 C ATOM 971 CG PHE B 61 9.695 14.889 26.848 1.00 29.36 C ATOM 972 CD1 PHE B 61 8.782 14.082 27.493 1.00 32.95 C ATOM 973 CD2 PHE B 61 9.862 14.743 25.472 1.00 31.57 C ATOM 974 CE1 PHE B 61 8.044 13.116 26.782 1.00 34.23 C ATOM 975 CE2 PHE B 61 9.132 13.790 24.752 1.00 33.50 C ATOM 976 CZ PHE B 61 8.237 12.980 25.409 1.00 32.56 C ATOM 977 H PHE B 61 12.673 15.344 26.280 1.00 0.00 H ATOM 978 N MET B 62 11.942 13.094 28.595 1.00 29.52 N ATOM 979 CA MET B 62 11.788 11.814 29.282 1.00 30.67 C ATOM 980 C MET B 62 12.769 11.591 30.428 1.00 34.26 C ATOM 981 O MET B 62 12.568 10.697 31.242 1.00 32.75 O ATOM 982 CB MET B 62 11.899 10.666 28.271 1.00 29.94 C ATOM 983 CG MET B 62 10.797 10.709 27.250 1.00 29.94 C ATOM 984 SD MET B 62 11.074 9.646 25.821 1.00 31.59 S ATOM 985 CE MET B 62 11.028 8.010 26.577 1.00 34.54 C ATOM 986 H MET B 62 12.435 13.114 27.679 1.00 0.00 H ATOM 987 N ASN B 63 13.819 12.412 30.502 1.00 31.02 N ATOM 988 CA ASN B 63 14.758 12.407 31.630 1.00 31.28 C ATOM 989 C ASN B 63 14.057 12.868 32.927 1.00 33.39 C ATOM 990 O ASN B 63 13.410 13.943 32.944 1.00 33.43 O ATOM 991 CB ASN B 63 15.964 13.305 31.245 1.00 30.22 C ATOM 992 CG ASN B 63 17.195 13.065 32.096 1.00 31.29 C ATOM 993 OD1 ASN B 63 17.164 12.314 33.081 1.00 31.75 O ATOM 994 ND2 ASN B 63 18.294 13.724 31.730 1.00 29.76 N ATOM 995 HD22 ASN B 63 18.275 14.344 30.895 1.00 0.00 H ATOM 996 HD21 ASN B 63 19.171 13.618 32.279 1.00 0.00 H ATOM 997 H ASN B 63 13.979 13.085 29.726 1.00 0.00 H ATOM 998 N THR B 64 14.151 12.082 34.011 1.00 31.12 N ATOM 999 CA THR B 64 13.621 12.544 35.285 1.00 35.36 C ATOM 1000 C THR B 64 14.625 13.478 35.989 1.00 35.78 C ATOM 1001 O THR B 64 14.283 14.099 36.962 1.00 39.36 O ATOM 1002 CB THR B 64 13.168 11.411 36.240 1.00 39.77 C ATOM 1003 OG1 THR B 64 14.308 10.719 36.736 1.00 40.54 O ATOM 1004 CG2 THR B 64 12.208 10.437 35.524 1.00 38.78 C ATOM 1005 HG1 THR B 64 14.811 10.329 35.978 1.00 0.00 H ATOM 1006 H THR B 64 14.601 11.147 33.941 1.00 0.00 H ATOM 1007 N ASP B 65 15.846 13.576 35.480 1.00 37.08 N ATOM 1008 CA ASP B 65 16.829 14.523 36.003 1.00 35.65 C ATOM 1009 C ASP B 65 16.386 15.964 35.616 1.00 35.88 C ATOM 1010 O ASP B 65 16.556 16.370 34.482 1.00 32.32 O ATOM 1011 CB ASP B 65 18.203 14.194 35.430 1.00 36.09 C ATOM 1012 CG ASP B 65 19.345 15.069 36.029 1.00 37.70 C ATOM 1013 OD1 ASP B 65 19.060 16.040 36.766 1.00 38.77 O ATOM 1014 OD2 ASP B 65 20.521 14.777 35.710 1.00 38.47 O ATOM 1015 H ASP B 65 16.112 12.961 34.685 1.00 0.00 H ATOM 1016 N SER B 66 15.838 16.710 36.575 1.00 37.90 N ATOM 1017 CA SER B 66 15.244 17.992 36.268 1.00 39.83 C ATOM 1018 C SER B 66 16.303 19.064 35.895 1.00 40.87 C ATOM 1019 O SER B 66 15.939 20.155 35.419 1.00 37.90 O ATOM 1020 CB SER B 66 14.342 18.467 37.414 1.00 43.85 C ATOM 1021 OG SER B 66 15.114 18.728 38.553 1.00 46.68 O ATOM 1022 HG SER B 66 14.524 19.034 39.287 1.00 0.00 H ATOM 1023 H SER B 66 15.838 16.366 37.556 1.00 0.00 H ATOM 1024 N ARG B 67 17.591 18.748 36.095 1.00 37.91 N ATOM 1025 CA ARG B 67 18.703 19.579 35.593 1.00 37.58 C ATOM 1026 C ARG B 67 19.029 19.431 34.130 1.00 33.69 C ATOM 1027 O ARG B 67 19.710 20.282 33.591 1.00 32.16 O ATOM 1028 CB ARG B 67 20.008 19.267 36.348 1.00 42.75 C ATOM 1029 CG ARG B 67 19.949 19.518 37.832 1.00 49.66 C ATOM 1030 CD ARG B 67 19.760 21.006 38.078 1.00 54.59 C ATOM 1031 NE ARG B 67 19.529 21.261 39.485 1.00 61.70 N ATOM 1032 CZ ARG B 67 18.988 22.367 39.968 1.00 59.82 C ATOM 1033 NH1 ARG B 67 18.824 22.453 41.283 1.00 59.86 N ATOM 1034 NH2 ARG B 67 18.608 23.373 39.133 1.00 56.76 N ATOM 1035 HE ARG B 67 19.808 20.523 40.163 1.00 0.00 H ATOM 1036 HH12 ARG B 67 18.402 23.307 41.700 1.00 0.00 H ATOM 1037 HH11 ARG B 67 19.118 21.666 41.896 1.00 0.00 H ATOM 1038 HH22 ARG B 67 18.183 24.239 39.522 1.00 0.00 H ATOM 1039 HH21 ARG B 67 18.742 23.275 38.106 1.00 0.00 H ATOM 1040 H ARG B 67 17.816 17.882 36.625 1.00 0.00 H ATOM 1041 N TYR B 68 18.571 18.360 33.468 1.00 31.05 N ATOM 1042 CA TYR B 68 18.960 18.089 32.077 1.00 32.19 C ATOM 1043 C TYR B 68 17.780 17.474 31.289 1.00 31.49 C ATOM 1044 O TYR B 68 17.952 16.538 30.510 1.00 41.12 O ATOM 1045 CB TYR B 68 20.135 17.084 32.044 1.00 34.54 C ATOM 1046 CG TYR B 68 21.435 17.624 32.545 1.00 36.68 C ATOM 1047 CD1 TYR B 68 22.209 18.473 31.749 1.00 37.76 C ATOM 1048 CD2 TYR B 68 21.891 17.314 33.811 1.00 37.99 C ATOM 1049 CE1 TYR B 68 23.393 19.009 32.206 1.00 40.66 C ATOM 1050 CE2 TYR B 68 23.082 17.834 34.271 1.00 42.44 C ATOM 1051 CZ TYR B 68 23.833 18.674 33.453 1.00 41.84 C ATOM 1052 OH TYR B 68 25.026 19.199 33.895 1.00 49.46 O ATOM 1053 HH TYR B 68 25.418 19.768 33.186 1.00 0.00 H ATOM 1054 H TYR B 68 17.924 17.704 33.951 1.00 0.00 H ATOM 1055 N ASN B 69 16.581 17.926 31.591 1.00 30.28 N ATOM 1056 CA ASN B 69 15.383 17.304 31.059 1.00 29.77 C ATOM 1057 C ASN B 69 14.668 18.158 30.008 1.00 27.69 C ATOM 1058 O ASN B 69 13.442 18.096 29.868 1.00 27.29 O ATOM 1059 CB ASN B 69 14.423 16.911 32.194 1.00 32.91 C ATOM 1060 CG ASN B 69 13.787 18.099 32.877 1.00 37.39 C ATOM 1061 OD1 ASN B 69 12.672 17.990 33.418 1.00 45.49 O ATOM 1062 ND2 ASN B 69 14.435 19.233 32.831 1.00 32.55 N ATOM 1063 HD22 ASN B 69 15.365 19.282 32.369 1.00 0.00 H ATOM 1064 HD21 ASN B 69 14.020 20.087 33.256 1.00 0.00 H ATOM 1065 H ASN B 69 16.491 18.746 32.224 1.00 0.00 H ATOM 1066 N ASN B 70 15.436 18.928 29.247 1.00 26.59 N ATOM 1067 CA ASN B 70 14.848 19.816 28.241 1.00 25.68 C ATOM 1068 C ASN B 70 15.870 20.001 27.143 1.00 24.78 C ATOM 1069 O ASN B 70 17.062 20.151 27.408 1.00 25.60 O ATOM 1070 CB ASN B 70 14.465 21.194 28.866 1.00 25.94 C ATOM 1071 CG ASN B 70 13.435 21.923 28.026 1.00 26.49 C ATOM 1072 OD1 ASN B 70 13.777 22.593 27.011 1.00 24.83 O ATOM 1073 ND2 ASN B 70 12.140 21.737 28.391 1.00 25.82 N ATOM 1074 HD22 ASN B 70 11.914 21.176 29.237 1.00 0.00 H ATOM 1075 HD21 ASN B 70 11.375 22.156 27.825 1.00 0.00 H ATOM 1076 H ASN B 70 16.469 18.901 29.366 1.00 0.00 H ATOM 1077 N CYS B 71 15.419 19.978 25.899 1.00 24.34 N ATOM 1078 CA CYS B 71 16.354 20.105 24.768 1.00 24.35 C ATOM 1079 C CYS B 71 17.093 21.453 24.802 1.00 24.97 C ATOM 1080 O CYS B 71 18.148 21.583 24.208 1.00 26.13 O ATOM 1081 CB CYS B 71 15.622 19.968 23.446 1.00 25.41 C ATOM 1082 SG CYS B 71 14.890 18.311 23.175 1.00 27.07 S ATOM 1083 H CYS B 71 14.400 19.870 25.719 1.00 0.00 H ATOM 1084 N SER B 72 16.530 22.432 25.500 1.00 23.98 N ATOM 1085 CA SER B 72 17.176 23.792 25.586 1.00 26.41 C ATOM 1086 C SER B 72 18.388 23.816 26.502 1.00 27.73 C ATOM 1087 O SER B 72 19.136 24.789 26.514 1.00 27.28 O ATOM 1088 CB SER B 72 16.165 24.838 26.035 1.00 27.12 C ATOM 1089 OG SER B 72 15.677 24.582 27.342 1.00 27.88 O ATOM 1090 HG SER B 72 15.234 23.697 27.360 1.00 0.00 H ATOM 1091 H SER B 72 15.631 22.259 25.994 1.00 0.00 H ATOM 1092 N ILE B 73 18.559 22.768 27.310 1.00 28.04 N ATOM 1093 CA ILE B 73 19.586 22.754 28.333 1.00 28.67 C ATOM 1094 C ILE B 73 20.851 22.198 27.773 1.00 29.38 C ATOM 1095 O ILE B 73 20.842 21.132 27.151 1.00 29.03 O ATOM 1096 CB ILE B 73 19.159 21.913 29.567 1.00 28.58 C ATOM 1097 CG1 ILE B 73 17.908 22.532 30.195 1.00 29.59 C ATOM 1098 CG2 ILE B 73 20.319 21.815 30.582 1.00 32.52 C ATOM 1099 CD1 ILE B 73 17.279 21.699 31.282 1.00 32.16 C ATOM 1100 H ILE B 73 17.939 21.940 27.203 1.00 0.00 H ATOM 1101 N SER B 74 21.976 22.876 28.027 1.00 30.01 N ATOM 1102 CA SER B 74 23.200 22.457 27.387 1.00 32.92 C ATOM 1103 C SER B 74 23.604 21.038 27.886 1.00 34.17 C ATOM 1104 O SER B 74 23.235 20.605 28.999 1.00 32.08 O ATOM 1105 CB SER B 74 24.327 23.465 27.602 1.00 39.85 C ATOM 1106 OG SER B 74 24.801 23.376 28.910 1.00 43.54 O ATOM 1107 HG SER B 74 24.063 23.571 29.541 1.00 0.00 H ATOM 1108 H SER B 74 21.969 23.690 28.674 1.00 0.00 H ATOM 1109 N GLU B 75 24.360 20.350 27.034 1.00 35.52 N ATOM 1110 CA GLU B 75 24.862 19.015 27.294 1.00 37.88 C ATOM 1111 C GLU B 75 25.884 19.071 28.430 1.00 40.94 C ATOM 1112 O GLU B 75 26.737 19.955 28.482 1.00 42.51 O ATOM 1113 CB GLU B 75 25.482 18.508 25.997 1.00 41.65 C ATOM 1114 CG GLU B 75 25.591 17.040 25.794 1.00 45.99 C ATOM 1115 CD GLU B 75 26.254 16.697 24.459 1.00 49.17 C ATOM 1116 OE1 GLU B 75 25.580 16.093 23.594 1.00 45.03 O ATOM 1117 OE2 GLU B 75 27.449 17.034 24.270 1.00 51.28 O ATOM 1118 H GLU B 75 24.605 20.797 26.127 1.00 0.00 H ATOM 1119 N GLU B 76 25.747 18.160 29.388 1.00 41.60 N ATOM 1120 CA GLU B 76 26.735 17.942 30.440 1.00 45.76 C ATOM 1121 C GLU B 76 28.116 17.563 29.825 1.00 47.54 C ATOM 1122 O GLU B 76 28.190 16.917 28.771 1.00 45.60 O ATOM 1123 CB GLU B 76 26.210 16.810 31.342 1.00 48.34 C ATOM 1124 CG GLU B 76 27.061 16.430 32.545 1.00 50.26 C ATOM 1125 CD GLU B 76 26.338 15.475 33.510 1.00 49.50 C ATOM 1126 OE1 GLU B 76 25.264 14.910 33.171 1.00 42.01 O ATOM 1127 OE2 GLU B 76 26.858 15.280 34.629 1.00 54.13 O ATOM 1128 H GLU B 76 24.890 17.571 29.388 1.00 0.00 H ATOM 1129 N ASP B 77 29.188 17.975 30.488 1.00 50.31 N ATOM 1130 CA ASP B 77 30.557 17.649 30.051 1.00 58.50 C ATOM 1131 C ASP B 77 30.832 16.161 29.960 1.00 59.95 C ATOM 1132 O ASP B 77 30.377 15.390 30.812 1.00 56.22 O ATOM 1133 CB ASP B 77 31.583 18.197 31.034 1.00 63.45 C ATOM 1134 CG ASP B 77 31.681 19.675 31.005 1.00 65.93 C ATOM 1135 OD1 ASP B 77 30.907 20.327 30.274 1.00 69.51 O ATOM 1136 OD2 ASP B 77 32.541 20.187 31.738 1.00 78.15 O ATOM 1137 H ASP B 77 29.058 18.548 31.346 1.00 0.00 H ATOM 1138 N PHE B 78 31.571 15.770 28.920 1.00 65.96 N ATOM 1139 CA PHE B 78 32.233 14.459 28.879 1.00 73.92 C ATOM 1140 C PHE B 78 33.609 14.557 28.208 1.00 82.34 C ATOM 1141 O PHE B 78 34.096 15.640 27.849 1.00 86.44 O ATOM 1142 CB PHE B 78 31.347 13.359 28.239 1.00 69.54 C ATOM 1143 CG PHE B 78 30.634 13.762 26.953 1.00 69.72 C ATOM 1144 CD1 PHE B 78 31.247 13.597 25.703 1.00 71.68 C ATOM 1145 CD2 PHE B 78 29.317 14.234 26.987 1.00 65.56 C ATOM 1146 CE1 PHE B 78 30.572 13.927 24.530 1.00 68.76 C ATOM 1147 CE2 PHE B 78 28.643 14.557 25.820 1.00 65.49 C ATOM 1148 CZ PHE B 78 29.273 14.407 24.589 1.00 67.65 C ATOM 1149 OXT PHE B 78 34.289 13.554 28.039 1.00 84.18 O ATOM 1150 H PHE B 78 31.682 16.415 28.112 1.00 0.00 H TER 1151 PHE B 78 ATOM 1152 C VAL C 21 4.621 15.760 15.885 1.00 78.63 C ATOM 1153 O VAL C 21 4.664 16.980 15.762 1.00 74.78 O ATOM 1154 N GLU C 22 5.446 15.096 16.690 1.00 69.83 N ATOM 1155 CA GLU C 22 5.202 14.929 18.132 1.00 60.62 C ATOM 1156 C GLU C 22 5.856 16.091 18.930 1.00 47.61 C ATOM 1157 O GLU C 22 6.889 16.620 18.530 1.00 45.40 O ATOM 1158 CB GLU C 22 5.761 13.586 18.576 1.00 64.41 C ATOM 1159 CG GLU C 22 5.650 13.298 20.071 1.00 69.65 C ATOM 1160 CD GLU C 22 6.435 12.053 20.470 1.00 75.27 C ATOM 1161 OE1 GLU C 22 6.851 11.339 19.531 1.00 78.59 O ATOM 1162 OE2 GLU C 22 6.633 11.791 21.697 1.00 65.92 O ATOM 1163 H GLU C 22 6.304 14.675 16.281 1.00 0.00 H ATOM 1164 N ASN C 23 5.234 16.517 20.031 1.00 42.48 N ATOM 1165 CA ASN C 23 5.750 17.691 20.771 1.00 38.37 C ATOM 1166 C ASN C 23 6.917 17.218 21.656 1.00 34.87 C ATOM 1167 O ASN C 23 6.790 16.204 22.394 1.00 34.86 O ATOM 1168 CB ASN C 23 4.635 18.284 21.638 1.00 38.32 C ATOM 1169 CG ASN C 23 4.950 19.669 22.195 1.00 32.14 C ATOM 1170 OD1 ASN C 23 6.088 20.178 22.218 1.00 30.79 O ATOM 1171 ND2 ASN C 23 3.896 20.296 22.669 1.00 32.90 N ATOM 1172 HD22 ASN C 23 2.961 19.842 22.634 1.00 0.00 H ATOM 1173 HD21 ASN C 23 3.997 21.246 23.079 1.00 0.00 H ATOM 1174 H ASN C 23 4.384 16.023 20.370 1.00 0.00 H ATOM 1175 N MET C 24 8.016 17.951 21.555 1.00 34.89 N ATOM 1176 CA MET C 24 9.263 17.676 22.274 1.00 34.26 C ATOM 1177 C MET C 24 9.363 18.495 23.573 1.00 30.27 C ATOM 1178 O MET C 24 10.300 18.336 24.348 1.00 29.14 O ATOM 1179 CB MET C 24 10.450 17.977 21.337 1.00 35.66 C ATOM 1180 CG MET C 24 10.478 17.165 20.022 1.00 38.92 C ATOM 1181 SD MET C 24 11.030 15.499 20.348 1.00 42.41 S ATOM 1182 CE MET C 24 9.502 14.595 20.514 1.00 45.58 C ATOM 1183 H MET C 24 7.992 18.777 20.923 1.00 0.00 H ATOM 1184 N TYR C 25 8.409 19.400 23.788 1.00 29.26 N ATOM 1185 CA TYR C 25 8.309 20.225 25.006 1.00 27.86 C ATOM 1186 C TYR C 25 9.588 21.014 25.282 1.00 28.03 C ATOM 1187 O TYR C 25 10.126 20.977 26.399 1.00 28.68 O ATOM 1188 CB TYR C 25 7.921 19.378 26.222 1.00 28.25 C ATOM 1189 CG TYR C 25 6.697 18.494 25.975 1.00 28.87 C ATOM 1190 CD1 TYR C 25 5.452 19.059 25.636 1.00 28.04 C ATOM 1191 CD2 TYR C 25 6.782 17.109 26.026 1.00 28.40 C ATOM 1192 CE1 TYR C 25 4.361 18.287 25.364 1.00 29.22 C ATOM 1193 CE2 TYR C 25 5.688 16.313 25.758 1.00 30.31 C ATOM 1194 CZ TYR C 25 4.460 16.881 25.439 1.00 30.62 C ATOM 1195 OH TYR C 25 3.381 16.043 25.229 1.00 31.36 O ATOM 1196 HH TYR C 25 2.581 16.585 25.012 1.00 0.00 H ATOM 1197 H TYR C 25 7.689 19.533 23.050 1.00 0.00 H ATOM 1198 N VAL C 26 10.037 21.736 24.262 1.00 26.56 N ATOM 1199 CA VAL C 26 11.274 22.481 24.341 1.00 25.63 C ATOM 1200 C VAL C 26 10.971 23.915 24.748 1.00 25.44 C ATOM 1201 O VAL C 26 10.093 24.566 24.171 1.00 25.15 O ATOM 1202 CB VAL C 26 12.027 22.469 23.001 1.00 26.77 C ATOM 1203 CG1 VAL C 26 13.367 23.208 23.146 1.00 26.50 C ATOM 1204 CG2 VAL C 26 12.199 21.025 22.519 1.00 30.17 C ATOM 1205 H VAL C 26 9.484 21.767 23.382 1.00 0.00 H ATOM 1206 N ASN C 27 11.708 24.392 25.736 1.00 23.02 N ATOM 1207 CA ASN C 27 11.526 25.734 26.296 1.00 23.73 C ATOM 1208 C ASN C 27 11.966 26.790 25.268 1.00 23.48 C ATOM 1209 O ASN C 27 12.735 26.510 24.368 1.00 24.71 O ATOM 1210 CB ASN C 27 12.276 25.913 27.612 1.00 22.21 C ATOM 1211 CG ASN C 27 11.829 24.943 28.701 1.00 24.03 C ATOM 1212 OD1 ASN C 27 10.771 24.317 28.642 1.00 23.81 O ATOM 1213 ND2 ASN C 27 12.651 24.796 29.677 1.00 25.55 N ATOM 1214 HD22 ASN C 27 13.537 25.340 29.697 1.00 0.00 H ATOM 1215 HD21 ASN C 27 12.431 24.133 30.447 1.00 0.00 H ATOM 1216 H ASN C 27 12.453 23.786 26.135 1.00 0.00 H ATOM 1217 N LYS C 28 11.395 27.979 25.398 1.00 23.19 N ATOM 1218 CA LYS C 28 11.750 29.159 24.569 1.00 22.05 C ATOM 1219 C LYS C 28 12.659 29.978 25.419 1.00 20.37 C ATOM 1220 O LYS C 28 12.276 30.446 26.484 1.00 22.47 O ATOM 1221 CB LYS C 28 10.503 29.922 24.181 1.00 24.92 C ATOM 1222 CG LYS C 28 9.502 29.064 23.419 1.00 28.71 C ATOM 1223 CD LYS C 28 8.179 29.720 23.156 1.00 34.55 C ATOM 1224 CE LYS C 28 7.292 28.788 22.311 1.00 42.23 C ATOM 1225 NZ LYS C 28 5.872 29.253 22.174 1.00 47.39 N ATOM 1226 HZ1 LYS C 28 5.438 29.319 23.117 1.00 0.00 H ATOM 1227 HZ2 LYS C 28 5.857 30.188 21.718 1.00 0.00 H ATOM 1228 HZ3 LYS C 28 5.341 28.574 21.593 1.00 0.00 H ATOM 1229 H LYS C 28 10.657 28.092 26.122 1.00 0.00 H ATOM 1230 N VAL C 29 13.912 30.061 25.011 1.00 20.51 N ATOM 1231 CA VAL C 29 14.925 30.648 25.848 1.00 21.31 C ATOM 1232 C VAL C 29 15.468 31.999 25.293 1.00 20.80 C ATOM 1233 O VAL C 29 15.617 32.209 24.064 1.00 23.58 O ATOM 1234 CB VAL C 29 16.112 29.692 26.124 1.00 24.47 C ATOM 1235 CG1 VAL C 29 15.590 28.342 26.660 1.00 24.07 C ATOM 1236 CG2 VAL C 29 16.992 29.524 24.924 1.00 27.35 C ATOM 1237 H VAL C 29 14.171 29.697 24.072 1.00 0.00 H ATOM 1238 N TRP C 30 15.847 32.828 26.229 1.00 20.67 N ATOM 1239 CA TRP C 30 16.485 34.120 25.921 1.00 21.14 C ATOM 1240 C TRP C 30 18.005 33.942 25.764 1.00 23.57 C ATOM 1241 O TRP C 30 18.644 33.239 26.561 1.00 23.31 O ATOM 1242 CB TRP C 30 16.234 35.088 27.032 1.00 21.28 C ATOM 1243 CG TRP C 30 14.875 35.611 27.136 1.00 22.50 C ATOM 1244 CD1 TRP C 30 13.870 35.134 27.910 1.00 24.35 C ATOM 1245 CD2 TRP C 30 14.340 36.753 26.436 1.00 23.16 C ATOM 1246 NE1 TRP C 30 12.735 35.918 27.750 1.00 24.78 N ATOM 1247 CE2 TRP C 30 13.000 36.914 26.855 1.00 24.66 C ATOM 1248 CE3 TRP C 30 14.864 37.649 25.502 1.00 22.89 C ATOM 1249 CZ2 TRP C 30 12.172 37.986 26.387 1.00 24.56 C ATOM 1250 CZ3 TRP C 30 14.047 38.682 25.025 1.00 22.14 C ATOM 1251 CH2 TRP C 30 12.714 38.832 25.462 1.00 22.68 C ATOM 1252 HE1 TRP C 30 11.827 35.770 28.235 1.00 0.00 H ATOM 1253 H TRP C 30 15.693 32.567 27.224 1.00 0.00 H ATOM 1254 N VAL C 31 18.564 34.538 24.730 1.00 21.67 N ATOM 1255 CA VAL C 31 20.004 34.542 24.509 1.00 22.74 C ATOM 1256 C VAL C 31 20.424 35.952 24.188 1.00 22.66 C ATOM 1257 O VAL C 31 19.627 36.752 23.665 1.00 21.49 O ATOM 1258 CB VAL C 31 20.452 33.590 23.396 1.00 23.84 C ATOM 1259 CG1 VAL C 31 20.081 32.166 23.748 1.00 25.10 C ATOM 1260 CG2 VAL C 31 19.849 33.970 22.045 1.00 23.52 C ATOM 1261 H VAL C 31 17.953 35.025 24.044 1.00 0.00 H ATOM 1262 N GLN C 32 21.654 36.281 24.554 1.00 20.78 N ATOM 1263 CA GLN C 32 22.132 37.649 24.371 1.00 22.89 C ATOM 1264 C GLN C 32 23.109 37.708 23.182 1.00 22.89 C ATOM 1265 O GLN C 32 24.055 36.892 23.106 1.00 24.65 O ATOM 1266 CB GLN C 32 22.827 38.176 25.641 1.00 24.87 C ATOM 1267 CG GLN C 32 23.070 39.703 25.627 1.00 23.99 C ATOM 1268 CD GLN C 32 23.764 40.233 26.884 1.00 27.98 C ATOM 1269 OE1 GLN C 32 24.286 39.460 27.700 1.00 29.66 O ATOM 1270 NE2 GLN C 32 23.762 41.537 27.051 1.00 28.02 N ATOM 1271 HE22 GLN C 32 23.313 42.151 26.342 1.00 0.00 H ATOM 1272 HE21 GLN C 32 24.210 41.954 27.892 1.00 0.00 H ATOM 1273 H GLN C 32 22.280 35.564 24.972 1.00 0.00 H ATOM 1274 N CYS C 33 22.922 38.715 22.318 1.00 22.00 N ATOM 1275 CA CYS C 33 23.806 38.980 21.222 1.00 20.74 C ATOM 1276 C CYS C 33 25.176 39.331 21.783 1.00 22.59 C ATOM 1277 O CYS C 33 25.279 40.117 22.727 1.00 23.09 O ATOM 1278 CB CYS C 33 23.298 40.171 20.413 1.00 22.25 C ATOM 1279 SG CYS C 33 24.302 40.514 18.989 1.00 22.99 S ATOM 1280 H CYS C 33 22.096 39.333 22.449 1.00 0.00 H ATOM 1281 N GLU C 34 26.218 38.770 21.190 1.00 25.12 N ATOM 1282 CA GLU C 34 27.600 39.033 21.650 1.00 27.28 C ATOM 1283 C GLU C 34 28.334 40.092 20.810 1.00 28.99 C ATOM 1284 O GLU C 34 29.532 40.287 20.964 1.00 28.94 O ATOM 1285 CB GLU C 34 28.395 37.726 21.729 1.00 30.85 C ATOM 1286 CG GLU C 34 27.775 36.746 22.689 1.00 30.39 C ATOM 1287 CD GLU C 34 28.462 35.402 22.739 1.00 33.85 C ATOM 1288 OE1 GLU C 34 29.708 35.333 22.715 1.00 36.12 O ATOM 1289 OE2 GLU C 34 27.764 34.397 22.848 1.00 33.68 O ATOM 1290 H GLU C 34 26.062 38.131 20.384 1.00 0.00 H ATOM 1291 N ASN C 35 27.622 40.777 19.920 1.00 25.01 N ATOM 1292 CA ASN C 35 28.166 41.969 19.283 1.00 26.69 C ATOM 1293 C ASN C 35 28.244 43.065 20.361 1.00 28.12 C ATOM 1294 O ASN C 35 27.220 43.453 20.918 1.00 26.42 O ATOM 1295 CB ASN C 35 27.275 42.382 18.118 1.00 25.54 C ATOM 1296 CG ASN C 35 27.704 43.691 17.449 1.00 26.21 C ATOM 1297 OD1 ASN C 35 28.768 44.250 17.735 1.00 27.00 O ATOM 1298 ND2 ASN C 35 26.911 44.133 16.517 1.00 25.08 N ATOM 1299 HD22 ASN C 35 26.024 43.632 16.308 1.00 0.00 H ATOM 1300 HD21 ASN C 35 27.164 44.988 15.981 1.00 0.00 H ATOM 1301 H ASN C 35 26.663 40.457 19.675 1.00 0.00 H ATOM 1302 N GLU C 36 29.463 43.529 20.670 1.00 29.05 N ATOM 1303 CA GLU C 36 29.658 44.502 21.723 1.00 32.78 C ATOM 1304 C GLU C 36 28.912 45.821 21.445 1.00 31.08 C ATOM 1305 O GLU C 36 28.606 46.538 22.364 1.00 33.04 O ATOM 1306 CB GLU C 36 31.170 44.795 21.958 1.00 38.93 C ATOM 1307 CG GLU C 36 31.900 43.680 22.713 1.00 53.28 C ATOM 1308 CD GLU C 36 31.323 43.406 24.116 1.00 61.80 C ATOM 1309 OE1 GLU C 36 31.086 44.378 24.884 1.00 70.55 O ATOM 1310 OE2 GLU C 36 31.105 42.218 24.456 1.00 66.61 O ATOM 1311 H GLU C 36 30.288 43.182 20.140 1.00 0.00 H ATOM 1312 N ASN C 37 28.634 46.119 20.188 1.00 28.32 N ATOM 1313 CA ASN C 37 27.845 47.285 19.819 1.00 30.04 C ATOM 1314 C ASN C 37 26.350 47.103 20.033 1.00 30.18 C ATOM 1315 O ASN C 37 25.600 48.076 19.936 1.00 30.00 O ATOM 1316 CB ASN C 37 28.062 47.615 18.363 1.00 31.42 C ATOM 1317 CG ASN C 37 29.449 48.118 18.085 1.00 36.93 C ATOM 1318 OD1 ASN C 37 30.040 48.792 18.901 1.00 38.12 O ATOM 1319 ND2 ASN C 37 29.972 47.771 16.929 1.00 39.40 N ATOM 1320 HD22 ASN C 37 29.423 47.191 16.263 1.00 0.00 H ATOM 1321 HD21 ASN C 37 30.935 48.077 16.681 1.00 0.00 H ATOM 1322 H ASN C 37 28.992 45.498 19.435 1.00 0.00 H ATOM 1323 N CYS C 38 25.925 45.875 20.310 1.00 25.57 N ATOM 1324 CA CYS C 38 24.491 45.548 20.333 1.00 23.79 C ATOM 1325 C CYS C 38 24.083 45.090 21.714 1.00 25.41 C ATOM 1326 O CYS C 38 23.394 45.823 22.427 1.00 24.54 O ATOM 1327 CB CYS C 38 24.211 44.476 19.297 1.00 23.67 C ATOM 1328 SG CYS C 38 22.506 43.912 19.302 1.00 22.91 S ATOM 1329 H CYS C 38 26.621 45.130 20.515 1.00 0.00 H ATOM 1330 N LEU C 39 24.481 43.872 22.095 1.00 25.06 N ATOM 1331 CA LEU C 39 24.197 43.293 23.437 1.00 25.68 C ATOM 1332 C LEU C 39 22.715 43.117 23.741 1.00 23.57 C ATOM 1333 O LEU C 39 22.338 42.962 24.874 1.00 24.87 O ATOM 1334 CB LEU C 39 24.908 44.095 24.552 1.00 26.51 C ATOM 1335 CG LEU C 39 26.425 44.121 24.397 1.00 27.82 C ATOM 1336 CD1 LEU C 39 27.044 44.912 25.548 1.00 34.47 C ATOM 1337 CD2 LEU C 39 27.019 42.735 24.361 1.00 29.82 C ATOM 1338 H LEU C 39 25.019 43.297 21.416 1.00 0.00 H ATOM 1339 N LYS C 40 21.892 43.074 22.694 1.00 21.38 N ATOM 1340 CA LYS C 40 20.475 42.885 22.852 1.00 21.09 C ATOM 1341 C LYS C 40 20.105 41.404 23.149 1.00 18.57 C ATOM 1342 O LYS C 40 20.769 40.472 22.717 1.00 20.84 O ATOM 1343 CB LYS C 40 19.726 43.326 21.621 1.00 21.30 C ATOM 1344 CG LYS C 40 19.745 44.849 21.396 1.00 22.19 C ATOM 1345 CD LYS C 40 18.990 45.128 20.068 1.00 21.96 C ATOM 1346 CE LYS C 40 19.131 46.588 19.651 1.00 24.04 C ATOM 1347 NZ LYS C 40 20.507 46.949 19.249 1.00 21.96 N ATOM 1348 HZ1 LYS C 40 21.154 46.786 20.047 1.00 0.00 H ATOM 1349 HZ2 LYS C 40 20.796 46.362 18.441 1.00 0.00 H ATOM 1350 HZ3 LYS C 40 20.536 47.953 18.978 1.00 0.00 H ATOM 1351 H LYS C 40 22.285 43.180 21.737 1.00 0.00 H ATOM 1352 N TRP C 41 19.055 41.239 23.922 1.00 21.33 N ATOM 1353 CA TRP C 41 18.520 39.935 24.285 1.00 21.20 C ATOM 1354 C TRP C 41 17.430 39.563 23.290 1.00 22.13 C ATOM 1355 O TRP C 41 16.559 40.412 22.983 1.00 21.18 O ATOM 1356 CB TRP C 41 17.922 39.992 25.649 1.00 22.43 C ATOM 1357 CG TRP C 41 18.963 40.038 26.763 1.00 24.69 C ATOM 1358 CD1 TRP C 41 19.561 41.132 27.306 1.00 25.66 C ATOM 1359 CD2 TRP C 41 19.545 38.886 27.386 1.00 24.10 C ATOM 1360 NE1 TRP C 41 20.463 40.733 28.285 1.00 26.86 N ATOM 1361 CE2 TRP C 41 20.474 39.352 28.336 1.00 25.45 C ATOM 1362 CE3 TRP C 41 19.371 37.501 27.220 1.00 23.53 C ATOM 1363 CZ2 TRP C 41 21.208 38.462 29.162 1.00 26.75 C ATOM 1364 CZ3 TRP C 41 20.080 36.625 28.024 1.00 25.73 C ATOM 1365 CH2 TRP C 41 21.006 37.123 28.977 1.00 26.00 C ATOM 1366 HE1 TRP C 41 21.034 41.367 28.879 1.00 0.00 H ATOM 1367 H TRP C 41 18.581 42.086 24.295 1.00 0.00 H ATOM 1368 N ARG C 42 17.416 38.288 22.926 1.00 20.17 N ATOM 1369 CA ARG C 42 16.514 37.735 21.921 1.00 17.68 C ATOM 1370 C ARG C 42 15.884 36.470 22.464 1.00 22.27 C ATOM 1371 O ARG C 42 16.582 35.643 23.072 1.00 21.37 O ATOM 1372 CB ARG C 42 17.272 37.405 20.657 1.00 20.45 C ATOM 1373 CG ARG C 42 18.030 38.585 20.024 1.00 19.66 C ATOM 1374 CD ARG C 42 17.051 39.654 19.629 1.00 20.33 C ATOM 1375 NE ARG C 42 17.727 40.677 18.831 1.00 19.83 N ATOM 1376 CZ ARG C 42 17.186 41.872 18.584 1.00 19.86 C ATOM 1377 NH1 ARG C 42 15.997 42.184 19.090 1.00 21.93 N ATOM 1378 NH2 ARG C 42 17.840 42.710 17.820 1.00 21.74 N ATOM 1379 HE ARG C 42 18.667 40.465 18.440 1.00 0.00 H ATOM 1380 HH12 ARG C 42 15.578 43.116 18.896 1.00 0.00 H ATOM 1381 HH11 ARG C 42 15.486 41.496 19.680 1.00 0.00 H ATOM 1382 HH22 ARG C 42 17.439 43.647 17.613 1.00 0.00 H ATOM 1383 HH21 ARG C 42 18.761 42.439 17.420 1.00 0.00 H ATOM 1384 H ARG C 42 18.090 37.642 23.385 1.00 0.00 H ATOM 1385 N LEU C 43 14.574 36.348 22.271 1.00 20.25 N ATOM 1386 CA LEU C 43 13.836 35.151 22.701 1.00 22.45 C ATOM 1387 C LEU C 43 13.692 34.173 21.550 1.00 24.54 C ATOM 1388 O LEU C 43 13.066 34.484 20.511 1.00 24.18 O ATOM 1389 CB LEU C 43 12.484 35.546 23.285 1.00 23.27 C ATOM 1390 CG LEU C 43 11.574 34.388 23.736 1.00 23.47 C ATOM 1391 CD1 LEU C 43 12.250 33.607 24.875 1.00 22.79 C ATOM 1392 CD2 LEU C 43 10.203 34.952 24.117 1.00 28.91 C ATOM 1393 H LEU C 43 14.057 37.120 21.803 1.00 0.00 H ATOM 1394 N LEU C 44 14.291 32.983 21.716 1.00 23.46 N ATOM 1395 CA LEU C 44 14.334 31.996 20.664 1.00 22.84 C ATOM 1396 C LEU C 44 13.081 31.126 20.617 1.00 25.69 C ATOM 1397 O LEU C 44 12.453 30.866 21.659 1.00 24.27 O ATOM 1398 CB LEU C 44 15.549 31.117 20.862 1.00 25.23 C ATOM 1399 CG LEU C 44 16.902 31.838 20.839 1.00 26.17 C ATOM 1400 CD1 LEU C 44 17.990 30.805 21.002 1.00 26.32 C ATOM 1401 CD2 LEU C 44 17.057 32.603 19.527 1.00 26.15 C ATOM 1402 H LEU C 44 14.737 32.766 22.630 1.00 0.00 H ATOM 1403 N SER C 45 12.725 30.692 19.405 1.00 24.97 N ATOM 1404 CA SER C 45 11.697 29.674 19.202 1.00 25.12 C ATOM 1405 C SER C 45 12.158 28.380 19.918 1.00 22.59 C ATOM 1406 O SER C 45 13.344 28.203 20.245 1.00 23.03 O ATOM 1407 CB SER C 45 11.487 29.370 17.702 1.00 29.51 C ATOM 1408 OG SER C 45 12.678 28.816 17.131 1.00 28.45 O ATOM 1409 HG SER C 45 12.526 28.628 16.171 1.00 0.00 H ATOM 1410 H SER C 45 13.199 31.095 18.572 1.00 0.00 H ATOM 1411 N SER C 46 11.244 27.444 20.094 1.00 24.57 N ATOM 1412 CA SER C 46 11.605 26.145 20.687 1.00 25.58 C ATOM 1413 C SER C 46 12.657 25.434 19.812 1.00 27.96 C ATOM 1414 O SER C 46 13.603 24.806 20.289 1.00 29.19 O ATOM 1415 CB SER C 46 10.331 25.318 20.869 1.00 27.88 C ATOM 1416 OG SER C 46 9.530 25.909 21.914 1.00 27.41 O ATOM 1417 HG SER C 46 8.704 25.377 22.036 1.00 0.00 H ATOM 1418 H SER C 46 10.260 27.625 19.811 1.00 0.00 H ATOM 1419 N GLU C 47 12.479 25.544 18.503 1.00 28.96 N ATOM 1420 CA GLU C 47 13.387 24.967 17.544 1.00 31.27 C ATOM 1421 C GLU C 47 14.786 25.540 17.666 1.00 29.90 C ATOM 1422 O GLU C 47 15.757 24.794 17.761 1.00 29.43 O ATOM 1423 CB GLU C 47 12.802 25.127 16.129 1.00 38.43 C ATOM 1424 CG GLU C 47 13.693 24.628 15.025 1.00 47.09 C ATOM 1425 CD GLU C 47 12.947 24.441 13.687 1.00 59.85 C ATOM 1426 OE1 GLU C 47 13.406 25.043 12.706 1.00 56.59 O ATOM 1427 OE2 GLU C 47 11.918 23.705 13.621 1.00 62.82 O ATOM 1428 H GLU C 47 11.651 26.068 18.154 1.00 0.00 H ATOM 1429 N ASP C 48 14.918 26.875 17.661 1.00 27.57 N ATOM 1430 CA ASP C 48 16.217 27.469 17.825 1.00 26.60 C ATOM 1431 C ASP C 48 16.811 27.245 19.217 1.00 24.74 C ATOM 1432 O ASP C 48 18.008 27.142 19.344 1.00 28.33 O ATOM 1433 CB ASP C 48 16.166 28.966 17.528 1.00 26.24 C ATOM 1434 CG ASP C 48 16.085 29.282 16.018 1.00 33.22 C ATOM 1435 OD1 ASP C 48 16.323 28.381 15.183 1.00 33.04 O ATOM 1436 OD2 ASP C 48 15.749 30.456 15.681 1.00 35.65 O ATOM 1437 H ASP C 48 14.081 27.480 17.539 1.00 0.00 H ATOM 1438 N SER C 49 15.957 27.157 20.254 1.00 23.50 N ATOM 1439 CA SER C 49 16.416 26.916 21.617 1.00 24.04 C ATOM 1440 C SER C 49 17.068 25.535 21.748 1.00 25.78 C ATOM 1441 O SER C 49 17.972 25.361 22.543 1.00 28.32 O ATOM 1442 CB SER C 49 15.268 27.053 22.617 1.00 25.56 C ATOM 1443 OG SER C 49 14.698 28.388 22.596 1.00 23.61 O ATOM 1444 HG SER C 49 14.349 28.582 21.690 1.00 0.00 H ATOM 1445 H SER C 49 14.938 27.264 20.077 1.00 0.00 H ATOM 1446 N ALA C 50 16.548 24.554 20.999 1.00 24.98 N ATOM 1447 CA ALA C 50 17.142 23.212 20.943 1.00 27.20 C ATOM 1448 C ALA C 50 18.437 23.188 20.125 1.00 28.24 C ATOM 1449 O ALA C 50 19.345 22.451 20.442 1.00 31.73 O ATOM 1450 CB ALA C 50 16.126 22.222 20.348 1.00 29.53 C ATOM 1451 H ALA C 50 15.694 24.749 20.438 1.00 0.00 H ATOM 1452 N LYS C 51 18.490 23.996 19.063 1.00 29.85 N ATOM 1453 CA LYS C 51 19.617 24.017 18.128 1.00 35.01 C ATOM 1454 C LYS C 51 20.823 24.772 18.627 1.00 35.72 C ATOM 1455 O LYS C 51 21.945 24.458 18.239 1.00 37.03 O ATOM 1456 CB LYS C 51 19.201 24.651 16.799 1.00 35.59 C ATOM 1457 CG LYS C 51 18.295 23.778 15.949 1.00 42.89 C ATOM 1458 CD LYS C 51 18.045 24.420 14.598 1.00 49.42 C ATOM 1459 CE LYS C 51 17.069 23.580 13.806 1.00 60.82 C ATOM 1460 NZ LYS C 51 16.906 24.072 12.410 1.00 69.51 N ATOM 1461 HZ1 LYS C 51 16.551 25.050 12.427 1.00 0.00 H ATOM 1462 HZ2 LYS C 51 17.825 24.044 11.924 1.00 0.00 H ATOM 1463 HZ3 LYS C 51 16.228 23.465 11.907 1.00 0.00 H ATOM 1464 H LYS C 51 17.693 24.641 18.892 1.00 0.00 H ATOM 1465 N VAL C 52 20.604 25.779 19.454 1.00 30.02 N ATOM 1466 CA VAL C 52 21.693 26.699 19.783 1.00 33.92 C ATOM 1467 C VAL C 52 22.792 25.979 20.539 1.00 42.60 C ATOM 1468 O VAL C 52 22.527 25.099 21.362 1.00 37.49 O ATOM 1469 CB VAL C 52 21.201 27.969 20.542 1.00 35.88 C ATOM 1470 CG1 VAL C 52 20.563 27.644 21.887 1.00 35.30 C ATOM 1471 CG2 VAL C 52 22.343 28.962 20.728 1.00 41.05 C ATOM 1472 H VAL C 52 19.661 25.917 19.870 1.00 0.00 H ATOM 1473 N ASP C 53 24.034 26.338 20.246 1.00 43.73 N ATOM 1474 CA ASP C 53 25.191 25.832 21.017 1.00 47.34 C ATOM 1475 C ASP C 53 25.754 26.995 21.816 1.00 49.56 C ATOM 1476 O ASP C 53 26.392 27.870 21.232 1.00 38.53 O ATOM 1477 CB ASP C 53 26.216 25.294 20.049 1.00 54.70 C ATOM 1478 CG ASP C 53 27.554 24.907 20.714 1.00 62.67 C ATOM 1479 OD1 ASP C 53 27.754 24.958 21.973 1.00 56.27 O ATOM 1480 OD2 ASP C 53 28.429 24.581 19.911 1.00 66.16 O ATOM 1481 H ASP C 53 24.199 26.992 19.454 1.00 0.00 H ATOM 1482 N HIS C 54 25.505 26.998 23.139 1.00 48.79 N ATOM 1483 CA HIS C 54 25.894 28.115 24.038 1.00 51.84 C ATOM 1484 C HIS C 54 27.399 28.174 24.345 1.00 55.03 C ATOM 1485 O HIS C 54 27.827 29.203 24.896 1.00 52.63 O ATOM 1486 CB HIS C 54 25.121 28.133 25.393 1.00 54.16 C ATOM 1487 CG HIS C 54 23.651 28.420 25.274 1.00 53.87 C ATOM 1488 ND1 HIS C 54 23.149 29.661 24.892 1.00 47.55 N ATOM 1489 CD2 HIS C 54 22.571 27.626 25.508 1.00 52.88 C ATOM 1490 CE1 HIS C 54 21.825 29.604 24.889 1.00 53.65 C ATOM 1491 NE2 HIS C 54 21.448 28.385 25.258 1.00 48.90 N ATOM 1492 H HIS C 54 25.016 26.178 23.552 1.00 0.00 H ATOM 1493 N ASP C 55 28.175 27.120 23.992 1.00 44.29 N ATOM 1494 CA ASP C 55 29.650 27.210 23.946 1.00 54.28 C ATOM 1495 C ASP C 55 30.247 27.878 22.641 1.00 54.79 C ATOM 1496 O ASP C 55 31.461 27.890 22.462 1.00 54.32 O ATOM 1497 CB ASP C 55 30.307 25.827 24.179 1.00 58.53 C ATOM 1498 H ASP C 55 27.718 26.219 23.746 1.00 0.00 H ATOM 1499 N GLU C 56 29.407 28.377 21.724 1.00 44.45 N ATOM 1500 CA GLU C 56 29.876 29.192 20.578 1.00 46.26 C ATOM 1501 C GLU C 56 29.226 30.556 20.686 1.00 36.74 C ATOM 1502 O GLU C 56 28.182 30.693 21.315 1.00 35.30 O ATOM 1503 CB GLU C 56 29.486 28.581 19.228 1.00 47.82 C ATOM 1504 CG GLU C 56 30.078 27.209 18.969 1.00 58.75 C ATOM 1505 CD GLU C 56 31.557 27.261 18.577 1.00 60.36 C ATOM 1506 OE1 GLU C 56 31.989 28.218 17.905 1.00 65.42 O ATOM 1507 OE2 GLU C 56 32.283 26.327 18.929 1.00 73.94 O ATOM 1508 H GLU C 56 28.389 28.186 21.820 1.00 0.00 H ATOM 1509 N PRO C 57 29.848 31.573 20.087 1.00 34.23 N ATOM 1510 CA PRO C 57 29.255 32.905 20.110 1.00 31.64 C ATOM 1511 C PRO C 57 27.895 32.924 19.409 1.00 28.95 C ATOM 1512 O PRO C 57 27.646 32.112 18.532 1.00 30.43 O ATOM 1513 CB PRO C 57 30.296 33.773 19.403 1.00 32.83 C ATOM 1514 CG PRO C 57 31.542 33.021 19.429 1.00 37.77 C ATOM 1515 CD PRO C 57 31.164 31.570 19.411 1.00 39.48 C ATOM 1516 N TRP C 58 26.988 33.755 19.918 1.00 27.56 N ATOM 1517 CA TRP C 58 25.662 33.937 19.382 1.00 25.42 C ATOM 1518 C TRP C 58 25.479 35.443 19.094 1.00 24.89 C ATOM 1519 O TRP C 58 25.879 36.302 19.905 1.00 25.43 O ATOM 1520 CB TRP C 58 24.556 33.465 20.335 1.00 24.53 C ATOM 1521 CG TRP C 58 23.274 33.337 19.655 1.00 23.07 C ATOM 1522 CD1 TRP C 58 22.797 32.246 18.998 1.00 25.76 C ATOM 1523 CD2 TRP C 58 22.283 34.364 19.471 1.00 23.72 C ATOM 1524 NE1 TRP C 58 21.568 32.499 18.463 1.00 24.47 N ATOM 1525 CE2 TRP C 58 21.242 33.803 18.702 1.00 23.05 C ATOM 1526 CE3 TRP C 58 22.181 35.697 19.871 1.00 22.51 C ATOM 1527 CZ2 TRP C 58 20.123 34.520 18.347 1.00 23.48 C ATOM 1528 CZ3 TRP C 58 21.058 36.412 19.487 1.00 22.46 C ATOM 1529 CH2 TRP C 58 20.050 35.821 18.772 1.00 22.63 C ATOM 1530 HE1 TRP C 58 20.976 31.811 17.956 1.00 0.00 H ATOM 1531 H TRP C 58 27.253 34.309 20.757 1.00 0.00 H ATOM 1532 N TYR C 59 24.893 35.716 17.917 1.00 24.05 N ATOM 1533 CA TYR C 59 24.660 37.095 17.394 1.00 21.62 C ATOM 1534 C TYR C 59 23.269 37.161 16.818 1.00 21.36 C ATOM 1535 O TYR C 59 22.710 36.137 16.372 1.00 20.41 O ATOM 1536 CB TYR C 59 25.647 37.449 16.328 1.00 24.93 C ATOM 1537 CG TYR C 59 27.074 37.257 16.741 1.00 24.80 C ATOM 1538 CD1 TYR C 59 27.697 38.156 17.615 1.00 28.26 C ATOM 1539 CD2 TYR C 59 27.799 36.189 16.265 1.00 26.56 C ATOM 1540 CE1 TYR C 59 29.025 37.961 17.973 1.00 28.71 C ATOM 1541 CE2 TYR C 59 29.142 35.978 16.634 1.00 30.01 C ATOM 1542 CZ TYR C 59 29.725 36.886 17.484 1.00 30.37 C ATOM 1543 OH TYR C 59 31.037 36.701 17.842 1.00 34.60 O ATOM 1544 HH TYR C 59 31.604 36.714 17.031 1.00 0.00 H ATOM 1545 H TYR C 59 24.581 34.915 17.332 1.00 0.00 H ATOM 1546 N CYS C 60 22.678 38.358 16.849 1.00 19.65 N ATOM 1547 CA CYS C 60 21.291 38.554 16.354 1.00 21.36 C ATOM 1548 C CYS C 60 21.005 37.916 15.007 1.00 21.35 C ATOM 1549 O CYS C 60 19.910 37.388 14.807 1.00 22.02 O ATOM 1550 CB CYS C 60 20.963 40.075 16.260 1.00 20.65 C ATOM 1551 SG CYS C 60 20.807 40.927 17.781 1.00 21.25 S ATOM 1552 H CYS C 60 23.201 39.173 17.229 1.00 0.00 H ATOM 1553 N PHE C 61 21.949 37.955 14.069 1.00 20.95 N ATOM 1554 CA PHE C 61 21.712 37.470 12.728 1.00 24.49 C ATOM 1555 C PHE C 61 21.461 35.979 12.714 1.00 28.01 C ATOM 1556 O PHE C 61 20.928 35.456 11.739 1.00 26.89 O ATOM 1557 CB PHE C 61 22.818 37.842 11.725 1.00 25.57 C ATOM 1558 CG PHE C 61 24.158 37.198 11.986 1.00 27.73 C ATOM 1559 CD1 PHE C 61 24.423 35.940 11.510 1.00 30.45 C ATOM 1560 CD2 PHE C 61 25.171 37.884 12.690 1.00 31.79 C ATOM 1561 CE1 PHE C 61 25.673 35.320 11.695 1.00 35.30 C ATOM 1562 CE2 PHE C 61 26.426 37.264 12.881 1.00 32.22 C ATOM 1563 CZ PHE C 61 26.654 35.987 12.413 1.00 34.70 C ATOM 1564 H PHE C 61 22.883 38.345 14.308 1.00 0.00 H ATOM 1565 N MET C 62 21.844 35.294 13.794 1.00 26.40 N ATOM 1566 CA MET C 62 21.635 33.840 13.893 1.00 26.40 C ATOM 1567 C MET C 62 20.222 33.437 14.302 1.00 26.85 C ATOM 1568 O MET C 62 19.848 32.228 14.273 1.00 26.01 O ATOM 1569 CB MET C 62 22.650 33.250 14.884 1.00 28.20 C ATOM 1570 CG MET C 62 24.078 33.389 14.368 1.00 31.93 C ATOM 1571 SD MET C 62 25.291 33.065 15.668 1.00 30.60 S ATOM 1572 CE MET C 62 24.996 31.313 15.988 1.00 31.48 C ATOM 1573 H MET C 62 22.299 35.798 14.582 1.00 0.00 H ATOM 1574 N ASN C 63 19.434 34.419 14.715 1.00 25.81 N ATOM 1575 CA ASN C 63 18.050 34.214 15.073 1.00 24.87 C ATOM 1576 C ASN C 63 17.190 33.934 13.841 1.00 29.10 C ATOM 1577 O ASN C 63 17.144 34.745 12.932 1.00 31.30 O ATOM 1578 CB ASN C 63 17.560 35.456 15.830 1.00 22.97 C ATOM 1579 CG ASN C 63 16.262 35.237 16.550 1.00 25.69 C ATOM 1580 OD1 ASN C 63 15.645 34.147 16.501 1.00 23.81 O ATOM 1581 ND2 ASN C 63 15.816 36.270 17.222 1.00 23.19 N ATOM 1582 HD22 ASN C 63 16.361 37.156 17.236 1.00 0.00 H ATOM 1583 HD21 ASN C 63 14.918 36.204 17.742 1.00 0.00 H ATOM 1584 H ASN C 63 19.829 35.379 14.784 1.00 0.00 H ATOM 1585 N THR C 64 16.505 32.789 13.796 1.00 29.12 N ATOM 1586 CA THR C 64 15.623 32.521 12.648 1.00 32.57 C ATOM 1587 C THR C 64 14.253 33.236 12.779 1.00 34.51 C ATOM 1588 O THR C 64 13.463 33.170 11.868 1.00 35.55 O ATOM 1589 CB THR C 64 15.404 31.012 12.411 1.00 38.19 C ATOM 1590 OG1 THR C 64 14.564 30.496 13.426 1.00 36.85 O ATOM 1591 CG2 THR C 64 16.728 30.272 12.402 1.00 39.15 C ATOM 1592 HG1 THR C 64 14.991 30.635 14.308 1.00 0.00 H ATOM 1593 H THR C 64 16.594 32.093 14.564 1.00 0.00 H ATOM 1594 N ASP C 65 13.995 33.930 13.894 1.00 30.64 N ATOM 1595 CA ASP C 65 12.827 34.835 14.041 1.00 32.12 C ATOM 1596 C ASP C 65 13.049 36.073 13.198 1.00 33.38 C ATOM 1597 O ASP C 65 13.823 36.989 13.579 1.00 31.43 O ATOM 1598 CB ASP C 65 12.636 35.216 15.505 1.00 33.25 C ATOM 1599 CG ASP C 65 11.356 36.054 15.780 1.00 33.60 C ATOM 1600 OD1 ASP C 65 10.626 36.471 14.846 1.00 31.71 O ATOM 1601 OD2 ASP C 65 11.100 36.245 16.986 1.00 34.89 O ATOM 1602 H ASP C 65 14.646 33.830 14.699 1.00 0.00 H ATOM 1603 N SER C 66 12.390 36.130 12.052 1.00 34.62 N ATOM 1604 CA SER C 66 12.627 37.252 11.140 1.00 38.03 C ATOM 1605 C SER C 66 12.150 38.612 11.700 1.00 34.21 C ATOM 1606 O SER C 66 12.474 39.640 11.130 1.00 38.62 O ATOM 1607 CB SER C 66 12.025 36.985 9.738 1.00 45.84 C ATOM 1608 OG SER C 66 10.682 36.603 9.839 1.00 52.06 O ATOM 1609 HG SER C 66 10.615 35.776 10.379 1.00 0.00 H ATOM 1610 H SER C 66 11.710 35.385 11.801 1.00 0.00 H ATOM 1611 N ARG C 67 11.420 38.633 12.819 1.00 32.38 N ATOM 1612 CA ARG C 67 11.022 39.922 13.428 1.00 33.66 C ATOM 1613 C ARG C 67 12.157 40.552 14.233 1.00 30.15 C ATOM 1614 O ARG C 67 12.141 41.784 14.463 1.00 29.45 O ATOM 1615 CB ARG C 67 9.820 39.757 14.360 1.00 36.49 C ATOM 1616 CG ARG C 67 8.520 39.364 13.656 1.00 43.52 C ATOM 1617 CD ARG C 67 7.495 38.872 14.677 1.00 49.58 C ATOM 1618 NE ARG C 67 8.105 37.856 15.549 1.00 53.69 N ATOM 1619 CZ ARG C 67 7.664 37.508 16.763 1.00 58.34 C ATOM 1620 NH1 ARG C 67 6.575 38.061 17.287 1.00 57.34 N ATOM 1621 NH2 ARG C 67 8.321 36.596 17.463 1.00 56.16 N ATOM 1622 HE ARG C 67 8.950 37.367 15.191 1.00 0.00 H ATOM 1623 HH12 ARG C 67 6.250 37.775 18.233 1.00 0.00 H ATOM 1624 HH11 ARG C 67 6.048 38.780 16.751 1.00 0.00 H ATOM 1625 HH22 ARG C 67 7.982 36.322 18.407 1.00 0.00 H ATOM 1626 HH21 ARG C 67 9.176 36.154 17.068 1.00 0.00 H ATOM 1627 H ARG C 67 11.130 37.739 13.264 1.00 0.00 H ATOM 1628 N TYR C 68 13.110 39.719 14.687 1.00 27.11 N ATOM 1629 CA TYR C 68 14.107 40.139 15.677 1.00 24.27 C ATOM 1630 C TYR C 68 15.473 39.559 15.367 1.00 26.59 C ATOM 1631 O TYR C 68 16.162 39.036 16.269 1.00 29.71 O ATOM 1632 CB TYR C 68 13.700 39.696 17.077 1.00 25.12 C ATOM 1633 CG TYR C 68 12.424 40.325 17.524 1.00 27.52 C ATOM 1634 CD1 TYR C 68 12.407 41.639 17.926 1.00 29.87 C ATOM 1635 CD2 TYR C 68 11.235 39.607 17.577 1.00 31.98 C ATOM 1636 CE1 TYR C 68 11.253 42.253 18.314 1.00 33.96 C ATOM 1637 CE2 TYR C 68 10.056 40.222 17.984 1.00 36.25 C ATOM 1638 CZ TYR C 68 10.088 41.564 18.336 1.00 36.74 C ATOM 1639 OH TYR C 68 8.987 42.247 18.776 1.00 45.74 O ATOM 1640 HH TYR C 68 8.643 41.820 19.600 1.00 0.00 H ATOM 1641 H TYR C 68 13.141 38.745 14.324 1.00 0.00 H ATOM 1642 N ASN C 69 15.830 39.589 14.096 1.00 21.63 N ATOM 1643 CA ASN C 69 17.050 38.898 13.608 1.00 21.71 C ATOM 1644 C ASN C 69 18.190 39.834 13.072 1.00 22.08 C ATOM 1645 O ASN C 69 18.896 39.494 12.134 1.00 22.94 O ATOM 1646 CB ASN C 69 16.659 37.904 12.519 1.00 27.49 C ATOM 1647 CG ASN C 69 16.099 38.573 11.282 1.00 29.72 C ATOM 1648 OD1 ASN C 69 15.794 39.758 11.287 1.00 32.88 O ATOM 1649 ND2 ASN C 69 15.964 37.825 10.233 1.00 36.81 N ATOM 1650 HD22 ASN C 69 16.236 36.822 10.271 1.00 0.00 H ATOM 1651 HD21 ASN C 69 15.584 38.228 9.353 1.00 0.00 H ATOM 1652 H ASN C 69 15.240 40.112 13.418 1.00 0.00 H ATOM 1653 N ASN C 70 18.314 41.011 13.650 1.00 21.55 N ATOM 1654 CA ASN C 70 19.333 41.978 13.274 1.00 20.60 C ATOM 1655 C ASN C 70 19.637 42.885 14.432 1.00 20.49 C ATOM 1656 O ASN C 70 18.720 43.273 15.177 1.00 21.11 O ATOM 1657 CB ASN C 70 18.846 42.787 12.059 1.00 21.63 C ATOM 1658 CG ASN C 70 19.986 43.424 11.305 1.00 21.60 C ATOM 1659 OD1 ASN C 70 20.386 44.553 11.600 1.00 22.39 O ATOM 1660 ND2 ASN C 70 20.554 42.684 10.337 1.00 21.51 N ATOM 1661 HD22 ASN C 70 20.183 41.736 10.122 1.00 0.00 H ATOM 1662 HD21 ASN C 70 21.364 43.059 9.803 1.00 0.00 H ATOM 1663 H ASN C 70 17.651 41.261 14.412 1.00 0.00 H ATOM 1664 N CYS C 71 20.921 43.243 14.620 1.00 21.66 N ATOM 1665 CA CYS C 71 21.290 44.100 15.720 1.00 22.76 C ATOM 1666 C CYS C 71 20.647 45.486 15.641 1.00 25.43 C ATOM 1667 O CYS C 71 20.567 46.175 16.662 1.00 23.56 O ATOM 1668 CB CYS C 71 22.799 44.269 15.854 1.00 20.62 C ATOM 1669 SG CYS C 71 23.765 42.749 16.004 1.00 23.06 S ATOM 1670 H CYS C 71 21.653 42.899 13.967 1.00 0.00 H ATOM 1671 N SER C 72 20.182 45.884 14.452 1.00 23.08 N ATOM 1672 CA SER C 72 19.485 47.190 14.286 1.00 22.94 C ATOM 1673 C SER C 72 18.064 47.191 14.844 1.00 23.36 C ATOM 1674 O SER C 72 17.400 48.220 14.870 1.00 24.65 O ATOM 1675 CB SER C 72 19.486 47.576 12.807 1.00 25.18 C ATOM 1676 OG SER C 72 18.671 46.701 12.033 1.00 23.50 O ATOM 1677 HG SER C 72 19.013 45.775 12.114 1.00 0.00 H ATOM 1678 H SER C 72 20.310 45.268 13.624 1.00 0.00 H ATOM 1679 N ILE C 73 17.515 46.036 15.172 1.00 21.21 N ATOM 1680 CA ILE C 73 16.125 45.932 15.569 1.00 22.95 C ATOM 1681 C ILE C 73 16.016 45.971 17.100 1.00 22.85 C ATOM 1682 O ILE C 73 16.766 45.268 17.801 1.00 22.97 O ATOM 1683 CB ILE C 73 15.463 44.636 15.028 1.00 24.42 C ATOM 1684 CG1 ILE C 73 15.529 44.609 13.496 1.00 27.67 C ATOM 1685 CG2 ILE C 73 14.039 44.490 15.548 1.00 26.09 C ATOM 1686 CD1 ILE C 73 15.043 43.277 12.916 1.00 31.76 C ATOM 1687 H ILE C 73 18.097 45.175 15.145 1.00 0.00 H ATOM 1688 N SER C 74 15.082 46.759 17.595 1.00 23.79 N ATOM 1689 CA SER C 74 14.836 46.871 19.019 1.00 26.65 C ATOM 1690 C SER C 74 14.567 45.497 19.664 1.00 26.97 C ATOM 1691 O SER C 74 14.028 44.569 19.016 1.00 24.25 O ATOM 1692 CB SER C 74 13.626 47.750 19.241 1.00 31.46 C ATOM 1693 OG SER C 74 13.372 47.936 20.613 1.00 32.99 O ATOM 1694 HG SER C 74 12.576 48.514 20.725 1.00 0.00 H ATOM 1695 H SER C 74 14.501 47.320 16.940 1.00 0.00 H ATOM 1696 N GLU C 75 14.907 45.367 20.931 1.00 27.15 N ATOM 1697 CA GLU C 75 14.442 44.220 21.731 1.00 26.96 C ATOM 1698 C GLU C 75 12.928 44.137 21.754 1.00 28.31 C ATOM 1699 O GLU C 75 12.227 45.150 21.787 1.00 29.13 O ATOM 1700 CB GLU C 75 14.905 44.345 23.174 1.00 29.94 C ATOM 1701 CG GLU C 75 16.306 43.908 23.399 1.00 29.84 C ATOM 1702 CD GLU C 75 16.708 43.901 24.883 1.00 27.26 C ATOM 1703 OE1 GLU C 75 17.891 43.662 25.066 1.00 24.95 O ATOM 1704 OE2 GLU C 75 15.911 44.130 25.786 1.00 27.26 O ATOM 1705 H GLU C 75 15.514 46.086 21.374 1.00 0.00 H ATOM 1706 N GLU C 76 12.444 42.918 21.749 1.00 27.37 N ATOM 1707 CA GLU C 76 11.021 42.600 21.899 1.00 32.35 C ATOM 1708 C GLU C 76 10.430 43.207 23.184 1.00 38.98 C ATOM 1709 O GLU C 76 11.125 43.253 24.193 1.00 44.41 O ATOM 1710 CB GLU C 76 10.985 41.084 22.007 1.00 37.04 C ATOM 1711 CG GLU C 76 9.677 40.409 22.077 1.00 46.75 C ATOM 1712 CD GLU C 76 9.932 38.931 22.313 1.00 47.37 C ATOM 1713 OE1 GLU C 76 10.703 38.307 21.514 1.00 34.49 O ATOM 1714 OE2 GLU C 76 9.411 38.434 23.334 1.00 61.81 O ATOM 1715 H GLU C 76 13.111 42.129 21.631 1.00 0.00 H ATOM 1716 N ASP C 77 9.162 43.659 23.135 1.00 46.34 N ATOM 1717 CA ASP C 77 8.459 44.349 24.288 1.00 56.45 C ATOM 1718 C ASP C 77 8.190 43.544 25.558 1.00 55.29 C ATOM 1719 O ASP C 77 8.238 42.329 25.525 1.00 49.34 O ATOM 1720 CB ASP C 77 7.116 44.918 23.810 1.00 68.08 C ATOM 1721 CG ASP C 77 7.251 46.292 23.143 1.00 73.56 C ATOM 1722 OD1 ASP C 77 8.382 46.803 22.939 1.00 68.32 O ATOM 1723 OD2 ASP C 77 6.194 46.862 22.830 1.00 88.89 O ATOM 1724 H ASP C 77 8.632 43.526 22.250 1.00 0.00 H TER 1725 ASP C 77 HETATM 1726 ZN ZN A 1 -3.373 18.415 35.083 1.00 33.18 ZN HETATM 1727 ZN ZN A 2 16.764 16.978 23.374 1.00 27.88 ZN HETATM 1728 ZN ZN A 3 22.852 42.038 18.017 1.00 22.43 ZN HETATM 1729 O HOH 4 4.808 26.568 42.149 1.00 33.10 O HETATM 1730 O HOH 5 -0.933 22.421 27.325 1.00 25.67 O HETATM 1731 O HOH 6 10.258 40.489 32.596 1.00 32.80 O HETATM 1732 O HOH 7 -0.319 27.169 29.036 1.00 31.86 O HETATM 1733 O HOH 8 6.101 18.907 37.244 1.00 33.15 O HETATM 1734 O HOH 9 2.212 28.294 37.149 1.00 31.69 O HETATM 1735 O HOH 10 0.158 24.922 27.302 1.00 25.87 O HETATM 1736 O HOH 11 10.847 29.206 38.919 1.00 24.34 O HETATM 1737 O HOH 12 10.950 38.102 30.183 1.00 27.73 O HETATM 1738 O HOH 13 1.336 30.660 32.114 1.00 26.46 O HETATM 1739 O HOH 14 8.032 15.978 33.941 1.00 32.42 O HETATM 1740 O HOH 15 7.886 18.816 34.312 1.00 31.01 O HETATM 1741 O HOH 16 -9.829 20.672 25.598 1.00 36.31 O HETATM 1742 O HOH 17 3.254 28.050 40.284 1.00 36.23 O HETATM 1743 O HOH 18 4.341 30.987 27.028 1.00 35.13 O HETATM 1744 O HOH 19 -4.273 16.103 25.784 1.00 33.37 O HETATM 1745 O HOH 20 14.551 27.577 30.670 1.00 33.87 O HETATM 1746 O HOH 21 3.940 29.867 38.476 1.00 31.57 O HETATM 1747 O HOH 22 4.938 12.905 28.661 1.00 33.96 O HETATM 1748 O HOH 23 1.795 29.838 27.457 1.00 37.72 O HETATM 1749 O HOH 24 -4.708 13.238 30.941 1.00 39.44 O HETATM 1750 O HOH 25 4.254 14.738 36.177 1.00 34.63 O HETATM 1751 O HOH 26 9.727 20.384 33.052 1.00 34.31 O HETATM 1752 O HOH 27 1.273 19.006 22.893 1.00 41.25 O HETATM 1753 O HOH 28 6.556 16.109 36.746 1.00 38.38 O HETATM 1754 O HOH 29 4.537 11.090 32.021 1.00 43.00 O HETATM 1755 O HOH 30 0.652 28.576 25.361 1.00 42.93 O HETATM 1756 O HOH 31 1.339 35.270 36.562 1.00 43.24 O HETATM 1757 O HOH 32 5.163 24.210 41.971 1.00 36.25 O HETATM 1758 O HOH 33 -8.627 25.947 36.492 1.00 46.16 O HETATM 1759 O HOH 34 2.086 31.935 39.012 1.00 37.89 O HETATM 1760 O HOH 35 9.415 36.974 28.073 1.00 38.42 O HETATM 1761 O HOH 36 6.612 38.535 32.235 1.00 39.18 O HETATM 1762 O HOH 37 -4.107 23.661 21.115 1.00 50.25 O HETATM 1763 O HOH 38 4.299 12.882 38.106 1.00 49.68 O HETATM 1764 O HOH 39 1.164 28.951 41.314 1.00 49.66 O HETATM 1765 O HOH 40 3.789 26.947 44.627 1.00 48.59 O HETATM 1766 O HOH 41 5.314 27.978 46.739 1.00 49.19 O HETATM 1767 O HOH 42 -4.840 33.867 30.544 1.00 48.85 O HETATM 1768 O HOH 43 1.949 22.498 44.973 1.00 48.88 O HETATM 1769 O HOH 44 7.555 33.267 22.330 1.00 46.53 O HETATM 1770 O HOH 45 13.193 21.965 38.516 1.00 45.03 O HETATM 1771 O HOH 46 9.102 37.774 33.169 1.00 45.86 O HETATM 1772 O HOH 47 2.721 12.841 40.283 1.00 34.47 O HETATM 1773 O HOH 48 -0.236 30.619 39.602 1.00 51.32 O HETATM 1774 O HOH 49 -3.807 33.337 28.058 1.00 56.29 O HETATM 1775 O HOH 50 -7.936 25.502 25.065 1.00 46.97 O HETATM 1776 O HOH 51 -5.328 21.146 22.035 1.00 53.18 O HETATM 1777 O HOH 52 -3.169 17.944 22.238 1.00 50.75 O HETATM 1778 O HOH 53 -7.188 17.734 21.669 1.00 38.83 O HETATM 1779 O HOH 54 4.814 36.729 31.180 1.00 31.08 O HETATM 1780 O HOH 55 5.166 35.476 28.690 1.00 30.12 O HETATM 1781 O HOH 56 3.497 33.861 27.153 1.00 41.41 O HETATM 1782 O HOH 57 7.082 17.147 43.239 1.00 51.97 O HETATM 1783 O HOH 58 9.832 19.118 44.234 1.00 62.97 O HETATM 1784 O HOH 59 -9.844 19.307 23.001 1.00 49.62 O HETATM 1785 O HOH 60 11.494 20.527 35.561 1.00 53.71 O HETATM 1786 O HOH 61 -0.065 32.783 30.659 1.00 35.97 O HETATM 1787 O HOH 62 23.208 14.746 31.389 1.00 32.17 O HETATM 1788 O HOH 63 17.305 -0.292 30.089 1.00 31.09 O HETATM 1789 O HOH 64 17.930 10.512 35.032 1.00 32.66 O HETATM 1790 O HOH 65 16.055 25.695 30.095 1.00 42.42 O HETATM 1791 O HOH 66 23.562 16.347 29.203 1.00 29.10 O HETATM 1792 O HOH 67 20.866 13.859 32.975 1.00 38.25 O HETATM 1793 O HOH 68 21.493 20.775 20.063 1.00 34.49 O HETATM 1794 O HOH 69 12.798 6.517 29.284 1.00 34.80 O HETATM 1795 O HOH 70 14.733 -2.271 26.483 1.00 35.27 O HETATM 1796 O HOH 71 11.327 20.156 30.722 1.00 34.86 O HETATM 1797 O HOH 72 12.961 15.251 15.364 1.00 39.27 O HETATM 1798 O HOH 73 14.051 6.088 31.577 1.00 36.49 O HETATM 1799 O HOH 74 12.133 6.874 33.598 1.00 44.48 O HETATM 1800 O HOH 75 14.534 8.601 30.957 1.00 35.32 O HETATM 1801 O HOH 76 10.786 15.546 32.339 1.00 38.65 O HETATM 1802 O HOH 77 19.090 26.774 24.687 1.00 30.37 O HETATM 1803 O HOH 78 18.704 6.133 40.445 1.00 43.24 O HETATM 1804 O HOH 79 14.224 5.449 17.391 1.00 46.27 O HETATM 1805 O HOH 80 9.534 6.792 23.110 1.00 38.22 O HETATM 1806 O HOH 81 18.264 7.645 21.179 1.00 37.41 O HETATM 1807 O HOH 82 19.821 8.454 18.706 1.00 46.08 O HETATM 1808 O HOH 83 9.586 4.208 26.964 1.00 45.81 O HETATM 1809 O HOH 84 10.350 7.837 30.100 1.00 51.66 O HETATM 1810 O HOH 85 17.581 11.409 37.654 1.00 46.45 O HETATM 1811 O HOH 86 15.803 8.890 38.762 1.00 47.54 O HETATM 1812 O HOH 87 12.775 7.176 37.365 1.00 53.19 O HETATM 1813 O HOH 88 25.394 21.394 24.642 1.00 44.46 O HETATM 1814 O HOH 89 9.444 23.684 17.349 1.00 42.00 O HETATM 1815 O HOH 90 19.444 6.861 16.681 1.00 55.86 O HETATM 1816 O HOH 91 8.285 12.688 31.174 1.00 49.44 O HETATM 1817 O HOH 92 25.641 15.727 20.914 1.00 48.51 O HETATM 1818 O HOH 93 13.098 21.469 19.098 1.00 42.85 O HETATM 1819 O HOH 94 24.157 14.014 35.245 1.00 51.22 O HETATM 1820 O HOH 95 15.227 24.323 32.671 1.00 42.84 O HETATM 1821 O HOH 96 8.576 -1.252 23.503 1.00 43.19 O HETATM 1822 O HOH 97 8.364 1.980 26.207 1.00 51.90 O HETATM 1823 O HOH 98 20.437 23.769 36.638 1.00 36.00 O HETATM 1824 O HOH 99 19.557 16.622 12.858 1.00 51.50 O HETATM 1825 O HOH 100 21.991 25.575 28.682 1.00 39.60 O HETATM 1826 O HOH 101 10.467 21.925 19.206 1.00 43.15 O HETATM 1827 O HOH 102 22.217 21.993 33.623 1.00 43.71 O HETATM 1828 O HOH 103 23.654 22.301 31.523 1.00 36.96 O HETATM 1829 O HOH 104 12.224 4.664 27.350 1.00 31.21 O HETATM 1830 O HOH 105 13.248 5.012 24.980 1.00 31.42 O HETATM 1831 O HOH 106 16.403 4.607 19.029 1.00 51.77 O HETATM 1832 O HOH 107 14.410 40.775 21.269 1.00 19.78 O HETATM 1833 O HOH 108 12.550 19.417 26.003 1.00 27.71 O HETATM 1834 O HOH 109 12.537 16.758 24.678 1.00 25.62 O HETATM 1835 O HOH 110 13.269 36.479 18.715 1.00 23.53 O HETATM 1836 O HOH 111 24.476 36.785 28.203 1.00 33.82 O HETATM 1837 O HOH 112 19.545 28.376 17.103 1.00 34.17 O HETATM 1838 O HOH 113 22.607 41.772 12.757 1.00 23.09 O HETATM 1839 O HOH 114 20.533 24.009 22.832 1.00 27.79 O HETATM 1840 O HOH 115 14.037 32.000 17.109 1.00 23.57 O HETATM 1841 O HOH 116 13.108 38.429 20.803 1.00 23.75 O HETATM 1842 O HOH 117 25.217 34.729 24.130 1.00 30.94 O HETATM 1843 O HOH 118 22.159 47.925 21.437 1.00 34.20 O HETATM 1844 O HOH 119 8.152 22.187 21.979 1.00 32.94 O HETATM 1845 O HOH 120 18.491 50.763 14.966 1.00 25.01 O HETATM 1846 O HOH 121 31.817 42.664 19.346 1.00 34.22 O HETATM 1847 O HOH 122 26.601 39.197 25.224 1.00 33.82 O HETATM 1848 O HOH 123 21.633 42.901 29.704 1.00 34.65 O HETATM 1849 O HOH 124 19.544 40.231 9.112 1.00 34.27 O HETATM 1850 O HOH 125 28.146 46.259 14.921 1.00 32.15 O HETATM 1851 O HOH 126 23.045 34.735 26.604 1.00 29.41 O HETATM 1852 O HOH 127 9.767 32.086 21.216 1.00 35.89 O HETATM 1853 O HOH 128 7.116 24.845 22.301 1.00 34.77 O HETATM 1854 O HOH 129 18.838 27.952 14.185 1.00 37.96 O HETATM 1855 O HOH 130 24.513 28.213 17.904 1.00 35.07 O HETATM 1856 O HOH 131 25.325 43.196 28.848 1.00 42.02 O HETATM 1857 O HOH 132 8.351 20.067 19.573 1.00 42.50 O HETATM 1858 O HOH 133 10.544 34.104 19.775 1.00 37.12 O HETATM 1859 O HOH 134 24.812 31.855 24.274 1.00 43.23 O HETATM 1860 O HOH 135 30.169 46.904 24.684 1.00 45.95 O HETATM 1861 O HOH 136 19.605 30.975 16.829 1.00 36.59 O HETATM 1862 O HOH 137 8.460 9.414 18.874 1.00 45.01 O HETATM 1863 O HOH 138 27.546 31.876 23.575 1.00 45.70 O HETATM 1864 O HOH 139 4.178 13.017 25.973 1.00 50.79 O HETATM 1865 O HOH 140 11.813 31.967 15.428 1.00 45.52 O HETATM 1866 O HOH 141 9.936 32.742 17.344 1.00 45.92 O HETATM 1867 O HOH 142 13.329 48.305 15.859 1.00 29.48 O HETATM 1868 O HOH 143 32.538 34.976 16.588 1.00 43.36 O HETATM 1869 O HOH 144 29.010 31.288 16.415 1.00 42.51 O HETATM 1870 O HOH 145 30.960 33.085 23.479 1.00 41.94 O HETATM 1871 O HOH 146 26.308 36.597 26.292 1.00 40.04 O HETATM 1872 O HOH 147 13.091 43.976 26.123 1.00 34.59 O HETATM 1873 O HOH 148 30.757 45.022 14.496 1.00 48.02 O HETATM 1874 O HOH 149 7.765 43.588 20.585 1.00 46.57 O HETATM 1875 O HOH 150 9.402 36.197 20.532 1.00 46.60 O HETATM 1876 O HOH 151 20.034 33.282 10.588 1.00 48.18 O HETATM 1877 O HOH 152 24.243 39.944 30.773 1.00 50.35 O HETATM 1878 O HOH 153 9.662 37.576 7.309 1.00 50.81 O HETATM 1879 O HOH 154 4.613 30.817 24.209 1.00 40.48 O HETATM 1880 O HOH 155 19.456 44.512 30.698 1.00 46.72 O HETATM 1881 O HOH 156 21.211 32.954 27.869 1.00 45.98 O HETATM 1882 O HOH 157 22.219 29.159 16.848 1.00 50.67 O HETATM 1883 O HOH 158 22.790 29.472 13.823 1.00 51.83 O HETATM 1884 O HOH 159 20.446 30.188 12.930 1.00 45.58 O HETATM 1885 O HOH 160 5.772 21.273 18.667 1.00 56.73 O HETATM 1886 O HOH 161 12.489 28.664 14.536 1.00 39.54 O HETATM 1887 O HOH 162 11.290 49.699 21.360 1.00 32.91 O HETATM 1888 O HOH 163 23.489 22.379 20.669 1.00 46.92 O HETATM 1889 O HOH 164 14.426 41.257 9.696 1.00 41.85 O HETATM 1890 O HOH 165 10.374 34.157 11.300 1.00 45.55 O HETATM 1891 O HOH 166 31.379 44.586 17.027 1.00 52.01 O HETATM 1892 O HOH 167 15.316 49.183 13.638 1.00 47.21 O HETATM 1893 O HOH 168 8.860 35.061 13.257 1.00 55.36 O HETATM 1894 O HOH 169 29.178 39.777 25.227 1.00 49.82 O HETATM 1895 O HOH 170 28.820 34.908 26.527 1.00 55.06 O HETATM 1896 O HOH 171 20.543 1.303 23.686 1.00 43.96 O HETATM 1897 O HOH 172 22.798 2.140 21.412 1.00 45.42 O HETATM 1898 N ALA A 173 16.128 3.532 21.544 1.00 0.24 N HETATM 1899 CA ALA A 173 17.076 4.437 22.294 1.00 0.06 C HETATM 1900 C ALA A 173 18.518 4.066 21.996 1.00 0.23 C HETATM 1901 O ALA A 173 18.883 2.890 21.991 1.00 -0.39 O HETATM 1902 N ALA A 173 19.332 5.081 21.739 1.00 -0.26 N HETATM 1903 CA ALA A 173 20.753 4.922 21.495 1.00 0.13 C HETATM 1904 C ALA A 173 21.452 5.278 22.791 1.00 0.20 C HETATM 1905 O ALA A 173 21.211 6.376 23.342 1.00 -0.39 O HETATM 1906 N ALA A 173 22.275 4.350 23.313 1.00 -0.26 N HETATM 1907 CA ALA A 173 22.856 4.498 24.653 1.00 0.16 C HETATM 1908 C ALA A 173 24.369 4.201 24.662 1.00 0.21 C HETATM 1909 O ALA A 173 24.877 3.581 23.728 1.00 -0.39 O HETATM 1910 N ALA A 173 25.069 4.664 25.702 1.00 -0.26 N HETATM 1911 CA ALA A 173 26.493 4.364 25.897 1.00 0.13 C HETATM 1912 CB ALA A 173 27.483 5.533 25.648 1.00 -0.01 C HETATM 1913 CG ALA A 173 27.552 6.127 24.236 1.00 -0.04 C HETATM 1914 CD ALA A 173 28.618 7.242 24.151 1.00 -0.01 C HETATM 1915 CE ALA A 173 28.218 8.544 24.901 1.00 -0.03 C HETATM 1916 NZ ALA A 173 29.126 9.720 24.710 1.00 0.24 N HETATM 1917 CM1 ALA A 173 30.543 9.365 24.908 1.00 -0.04 C HETATM 1918 H38 ALA A 173 31.169 10.257 24.758 1.00 0.08 H HETATM 1919 H39 ALA A 173 30.831 8.589 24.184 1.00 0.08 H HETATM 1920 H40 ALA A 173 30.686 8.984 25.930 1.00 0.08 H HETATM 1921 CM2 ALA A 173 28.776 10.749 25.705 1.00 -0.04 C HETATM 1922 H41 ALA A 173 27.721 11.035 25.581 1.00 0.08 H HETATM 1923 H42 ALA A 173 29.415 11.633 25.559 1.00 0.08 H HETATM 1924 H43 ALA A 173 28.931 10.348 26.717 1.00 0.08 H HETATM 1925 CM3 ALA A 173 28.967 10.296 23.361 1.00 -0.04 C HETATM 1926 H44 ALA A 173 29.225 9.539 22.606 1.00 0.08 H HETATM 1927 H45 ALA A 173 29.634 11.164 23.252 1.00 0.08 H HETATM 1928 H46 ALA A 173 27.924 10.615 23.219 1.00 0.08 H HETATM 1929 H36 ALA A 173 28.185 8.316 25.977 1.00 0.08 H HETATM 1930 H37 ALA A 173 27.214 8.835 24.557 1.00 0.08 H HETATM 1931 H34 ALA A 173 28.781 7.487 23.091 1.00 0.03 H HETATM 1932 H35 ALA A 173 29.554 6.863 24.588 1.00 0.03 H HETATM 1933 H32 ALA A 173 26.570 6.549 23.976 1.00 0.03 H HETATM 1934 H33 ALA A 173 27.809 5.330 23.523 1.00 0.03 H HETATM 1935 H30 ALA A 173 28.490 5.169 25.899 1.00 0.03 H HETATM 1936 H31 ALA A 173 27.206 6.348 26.333 1.00 0.03 H HETATM 1937 C ALA A 173 26.659 4.022 27.346 1.00 0.20 C HETATM 1938 O ALA A 173 26.217 4.783 28.228 1.00 -0.39 O HETATM 1939 N ALA A 173 27.317 2.885 27.629 1.00 -0.26 N HETATM 1940 CA ALA A 173 27.627 2.468 29.040 1.00 0.13 C HETATM 1941 C ALA A 173 28.666 3.436 29.641 1.00 0.20 C HETATM 1942 O ALA A 173 29.490 3.965 28.907 1.00 -0.39 O HETATM 1943 N ALA A 173 28.624 3.696 30.950 1.00 -0.27 N HETATM 1944 CA ALA A 173 29.674 4.543 31.573 1.00 0.12 C HETATM 1945 C ALA A 173 30.839 3.682 32.090 1.00 0.06 C HETATM 1946 O ALA A 173 31.982 4.150 32.176 1.00 -0.57 O HETATM 1947 O1 ALA A 173 30.628 2.487 32.430 1.00 -0.57 O HETATM 1948 CB ALA A 173 29.143 5.430 32.730 1.00 0.09 C HETATM 1949 OG1 ALA A 173 28.337 4.647 33.625 1.00 -0.39 O HETATM 1950 H58 ALA A 173 27.600 4.282 33.149 1.00 0.21 H HETATM 1951 CG2 ALA A 173 28.333 6.598 32.194 1.00 -0.04 C HETATM 1952 H59 ALA A 173 27.970 7.208 33.034 1.00 0.03 H HETATM 1953 H60 ALA A 173 27.475 6.217 31.620 1.00 0.03 H HETATM 1954 H61 ALA A 173 28.967 7.215 31.540 1.00 0.03 H HETATM 1955 H57 ALA A 173 30.004 5.828 33.287 1.00 0.06 H HETATM 1956 H56 ALA A 173 30.062 5.212 30.791 1.00 0.08 H HETATM 1957 H55 ALA A 173 27.886 3.321 31.511 1.00 0.19 H HETATM 1958 CB ALA A 173 28.153 1.005 29.097 1.00 0.00 C HETATM 1959 CG ALA A 173 27.214 -0.055 28.501 1.00 0.04 C HETATM 1960 CD ALA A 173 25.800 -0.039 29.102 1.00 0.17 C HETATM 1961 OE1 ALA A 173 25.619 -0.075 30.348 1.00 -0.40 O HETATM 1962 NE2 ALA A 173 24.775 0.003 28.214 1.00 -0.30 N HETATM 1963 H53 ALA A 173 23.830 0.015 28.541 1.00 0.18 H HETATM 1964 H54 ALA A 173 24.964 0.022 27.232 1.00 0.18 H HETATM 1965 H51 ALA A 173 27.655 -1.047 28.677 1.00 0.05 H HETATM 1966 H52 ALA A 173 27.133 0.123 27.419 1.00 0.05 H HETATM 1967 H49 ALA A 173 28.329 0.748 30.152 1.00 0.03 H HETATM 1968 H50 ALA A 173 29.104 0.964 28.546 1.00 0.03 H HETATM 1969 H48 ALA A 173 26.703 2.527 29.634 1.00 0.08 H HETATM 1970 H47 ALA A 173 27.610 2.296 26.876 1.00 0.19 H HETATM 1971 H29 ALA A 173 26.768 3.515 25.254 1.00 0.08 H HETATM 1972 H28 ALA A 173 24.604 5.239 26.375 1.00 0.19 H HETATM 1973 CB ALA A 173 22.166 3.576 25.674 1.00 0.09 C HETATM 1974 OG1 ALA A 173 22.374 2.212 25.282 1.00 -0.39 O HETATM 1975 H24 ALA A 173 22.003 2.072 24.419 1.00 0.21 H HETATM 1976 CG2 ALA A 173 20.667 3.863 25.749 1.00 -0.03 C HETATM 1977 H25 ALA A 173 20.201 3.191 26.485 1.00 0.03 H HETATM 1978 H26 ALA A 173 20.212 3.697 24.761 1.00 0.03 H HETATM 1979 H27 ALA A 173 20.509 4.908 26.055 1.00 0.03 H HETATM 1980 H23 ALA A 173 22.611 3.742 26.666 1.00 0.06 H HETATM 1981 H22 ALA A 173 22.706 5.541 24.970 1.00 0.08 H HETATM 1982 H21 ALA A 173 22.497 3.538 22.774 1.00 0.19 H HETATM 1983 CB ALA A 173 21.165 5.845 20.354 1.00 -0.01 C HETATM 1984 CG ALA A 173 22.526 5.565 19.777 1.00 -0.02 C HETATM 1985 CD ALA A 173 23.019 6.771 18.995 1.00 0.06 C HETATM 1986 NE ALA A 173 24.440 6.646 18.671 1.00 -0.27 N HETATM 1987 CZ ALA A 173 25.196 7.615 18.145 1.00 0.29 C HETATM 1988 NH1 ALA A 173 24.685 8.816 17.862 1.00 -0.28 N HETATM 1989 H17 ALA A 173 25.285 9.549 17.457 1.00 0.26 H HETATM 1990 H18 ALA A 173 23.691 9.010 18.049 1.00 0.26 H HETATM 1991 NH2 ALA A 173 26.481 7.378 17.895 1.00 -0.28 N HETATM 1992 H19 ALA A 173 26.886 6.455 18.109 1.00 0.26 H HETATM 1993 H20 ALA A 173 27.071 8.117 17.487 1.00 0.26 H HETATM 1994 H16 ALA A 173 24.893 5.741 18.863 1.00 0.26 H HETATM 1995 H14 ALA A 173 22.867 7.677 19.600 1.00 0.07 H HETATM 1996 H15 ALA A 173 22.444 6.853 18.061 1.00 0.07 H HETATM 1997 H12 ALA A 173 22.465 4.696 19.105 1.00 0.03 H HETATM 1998 H13 ALA A 173 23.230 5.348 20.594 1.00 0.03 H HETATM 1999 H10 ALA A 173 21.159 6.878 20.730 1.00 0.03 H HETATM 2000 H11 ALA A 173 20.424 5.744 19.547 1.00 0.03 H HETATM 2001 H9 ALA A 173 20.982 3.881 21.222 1.00 0.08 H HETATM 2002 H8 ALA A 173 18.946 6.003 21.712 1.00 0.19 H HETATM 2003 CB ALA A 173 16.827 4.388 23.794 1.00 -0.00 C HETATM 2004 H5 ALA A 173 17.534 5.058 24.305 1.00 0.03 H HETATM 2005 H6 ALA A 173 16.970 3.359 24.156 1.00 0.03 H HETATM 2006 H7 ALA A 173 15.797 4.712 24.006 1.00 0.03 H HETATM 2007 H4 ALA A 173 16.905 5.468 21.951 1.00 0.11 H HETATM 2008 H1 ALA A 173 15.177 3.793 21.754 1.00 0.20 H HETATM 2009 H2 ALA A 173 16.284 2.576 21.824 1.00 0.20 H HETATM 2010 H3 ALA A 173 16.290 3.623 20.553 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 128 127 1726 CONECT 173 172 1726 CONECT 395 394 1726 CONECT 513 512 1726 CONECT 570 571 575 576 577 CONECT 575 570 CONECT 576 570 CONECT 577 570 CONECT 693 692 1727 CONECT 738 737 1727 CONECT 964 963 1727 CONECT 1082 1081 1727 CONECT 1279 1278 1728 CONECT 1328 1327 1728 CONECT 1551 1550 1728 CONECT 1669 1668 1728 CONECT 1726 128 173 395 513 CONECT 1727 693 738 964 1082 CONECT 1728 1279 1328 1551 1669 CONECT 1898 1899 2008 2009 2010 CONECT 1899 1898 1900 2003 2007 CONECT 1900 1899 1901 1902 CONECT 1901 1900 CONECT 1902 1900 1903 2002 CONECT 1903 1902 1904 1983 2001 CONECT 1904 1903 1905 1906 CONECT 1905 1904 CONECT 1906 1904 1907 1982 CONECT 1907 1906 1908 1973 1981 CONECT 1908 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 1911 1972 CONECT 1911 1910 1912 1937 1971 CONECT 1912 1911 1913 1935 1936 CONECT 1913 1912 1914 1933 1934 CONECT 1914 1913 1915 1931 1932 CONECT 1915 1914 1916 1929 1930 CONECT 1916 1915 1917 1921 1925 CONECT 1917 1916 1918 1919 1920 CONECT 1918 1917 CONECT 1919 1917 CONECT 1920 1917 CONECT 1921 1916 1922 1923 1924 CONECT 1922 1921 CONECT 1923 1921 CONECT 1924 1921 CONECT 1925 1916 1926 1927 1928 CONECT 1926 1925 CONECT 1927 1925 CONECT 1928 1925 CONECT 1929 1915 CONECT 1930 1915 CONECT 1931 1914 CONECT 1932 1914 CONECT 1933 1913 CONECT 1934 1913 CONECT 1935 1912 CONECT 1936 1912 CONECT 1937 1911 1938 1939 CONECT 1938 1937 CONECT 1939 1937 1940 1970 CONECT 1940 1939 1941 1958 1969 CONECT 1941 1940 1942 1943 CONECT 1942 1941 CONECT 1943 1941 1944 1957 CONECT 1944 1943 1945 1948 1956 CONECT 1945 1944 1946 1947 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1944 1949 1951 1955 CONECT 1949 1948 1950 CONECT 1950 1949 CONECT 1951 1948 1952 1953 1954 CONECT 1952 1951 CONECT 1953 1951 CONECT 1954 1951 CONECT 1955 1948 CONECT 1956 1944 CONECT 1957 1943 CONECT 1958 1940 1959 1967 1968 CONECT 1959 1958 1960 1965 1966 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 1964 CONECT 1963 1962 CONECT 1964 1962 CONECT 1965 1959 CONECT 1966 1959 CONECT 1967 1958 CONECT 1968 1958 CONECT 1969 1940 CONECT 1970 1939 CONECT 1971 1911 CONECT 1972 1910 CONECT 1973 1907 1974 1976 1980 CONECT 1974 1973 1975 CONECT 1975 1974 CONECT 1976 1973 1977 1978 1979 CONECT 1977 1976 CONECT 1978 1976 CONECT 1979 1976 CONECT 1980 1973 CONECT 1981 1907 CONECT 1982 1906 CONECT 1983 1903 1984 1999 2000 CONECT 1984 1983 1985 1997 1998 CONECT 1985 1984 1986 1995 1996 CONECT 1986 1985 1987 1994 CONECT 1987 1986 1988 1991 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 CONECT 1991 1987 1992 1993 CONECT 1992 1991 CONECT 1993 1991 CONECT 1994 1986 CONECT 1995 1985 CONECT 1996 1985 CONECT 1997 1984 CONECT 1998 1984 CONECT 1999 1983 CONECT 2000 1983 CONECT 2001 1903 CONECT 2002 1902 CONECT 2003 1899 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 1899 CONECT 2008 1898 CONECT 2009 1898 CONECT 2010 1898 MASTER 0 0 0 0 0 0 0 0 2007 3 136 15 END
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RCSB PDB
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11-mer
1h25
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1h26
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11-mer
1h28
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1irs
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RCSB PDB
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11-mer
1l2z
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11-mer
1lcj
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
1om2
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RCSB PDB
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RCSB PDB
PDBbind
11-mer
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RCSB PDB
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11-mer
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11-mer
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RCSB PDB
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RCSB PDB
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2h2h
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PDBbind
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2h9m
RCSB PDB
PDBbind
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2hdx
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
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PDBbind
11-mer
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2ksb
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RCSB PDB
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11-mer
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RCSB PDB
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11-mer
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11-mer
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11-mer
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PDBbind
11-mer
4hyb
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PDBbind
11-mer
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11-mer
4j8g
RCSB PDB
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11-mer
4jjm
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RCSB PDB
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11-mer
4n7g
RCSB PDB
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11-mer
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11-mer
4o3t
RCSB PDB
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11-mer
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RCSB PDB
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11-mer
4pli
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11-mer
4pr5
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11-mer
4pra
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11-mer
4prb
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PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
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PDBbind
11-mer
4pri
RCSB PDB
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11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
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11-mer
4qyo
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4tk1
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11-mer
4tk2
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PDBbind
11-mer
4tk3
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PDBbind
11-mer
4tk4
RCSB PDB
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11-mer
4tmp
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11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
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11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
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11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4o62
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Zinc finger CW-type PWWP domain protein 2 (ZCWPW2 cw)
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Kd=9.9uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 9000-9013
Ligand Properties
Formula
C
3
1
H
6
2
N
1
1
O
1
0
Molecular Weight
748.892
Exact Mass
748.468
No. of atoms
114
No. of bonds
113
Polar Surface Area
360
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C31H59N11O10/c1-16(32)25(46)37-20(11-9-14-36-31(34)35)27(48)40-23(17(2)43)29(50)39-19(10-7-8-15-42(4,5)6)26(47)38-21(12-13-22(33)45)28(49)41-24(18(3)44)30(51)52/h16-21,23-24,43-44H,7-15,32H2,1-6H3,(H11-,33,34,35,36,37,38,39,40,41,45,46,47,48,49,50,51,52)/p+3/t16-,17+,18+,19-,20-,21-,23-,24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q504Y3
P84243
Entrez Gene ID
NCBI Entrez Gene ID:
152098
3020
3021
ASD
Information of known allosteric effects of PDB entries
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