Browse entries in the PDBbind-CN Database
HEADER 5DAH_COMPLEX COMPND 5DAH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 179 MET ILE GLY GLY CYS CYS VAL CYS SER ASP GLU ARG GLY SEQRES 2 A 179 TRP ALA GLU ASN PRO LEU VAL TYR CYS ASP GLY HIS GLY SEQRES 3 A 179 CYS SER VAL ALA VAL HIS GLN ALA CYS TYR GLY ILE VAL SEQRES 4 A 179 GLN VAL PRO THR GLY PRO TRP PHE CYS ARG LYS CYS GLU SEQRES 5 A 179 SER GLN GLU ARG ALA ALA ARG VAL ARG CYS GLU LEU CYS SEQRES 6 A 179 PRO HIS LYS ASP GLY ALA LEU LYS ARG THR ASP ASN GLY SEQRES 7 A 179 GLY TRP ALA HIS VAL VAL CYS ALA LEU TYR ILE PRO GLU SEQRES 8 A 179 VAL GLN PHE ALA ASN VAL SER THR MET GLU PRO ILE VAL SEQRES 9 A 179 LEU GLN SER VAL PRO HIS ASP ARG TYR ASN LYS THR CYS SEQRES 10 A 179 TYR ILE CYS ASP GLU GLN GLY ARG GLU SER LYS ALA ALA SEQRES 11 A 179 THR GLY ALA CYS MET THR CYS ASN LYS HIS GLY CYS ARG SEQRES 12 A 179 GLN ALA PHE HIS VAL THR CYS ALA GLN PHE ALA GLY LEU SEQRES 13 A 179 LEU CYS GLU GLU GLU GLY ASN GLY ALA ASP ASN VAL GLN SEQRES 14 A 179 TYR CYS GLY TYR CYS LYS TYR HIS PHE SER HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ZN A 5 1 HET LEU A 225 136 ATOM 1 N MET A 21 5.396 8.673 -15.277 1.00 52.47 N ATOM 2 CA MET A 21 4.538 7.610 -15.792 1.00 47.97 C ATOM 3 C MET A 21 3.204 8.150 -16.307 1.00 43.00 C ATOM 4 O MET A 21 2.484 7.452 -17.014 1.00 47.66 O ATOM 5 CB MET A 21 4.302 6.541 -14.715 1.00 46.56 C ATOM 6 CG MET A 21 4.387 5.120 -15.269 1.00 55.38 C ATOM 7 SD MET A 21 4.092 3.767 -14.105 1.00 79.83 S ATOM 8 CE MET A 21 5.095 4.313 -12.704 1.00 52.81 C ATOM 9 HN3 MET A 21 4.915 9.155 -14.491 1.00 0.00 H ATOM 10 HN2 MET A 21 5.593 9.356 -16.036 1.00 0.00 H ATOM 11 HN1 MET A 21 6.289 8.262 -14.938 1.00 0.00 H ATOM 12 N ILE A 22 2.873 9.380 -15.928 1.00 43.07 N ATOM 13 CA ILE A 22 1.768 10.090 -16.552 1.00 41.04 C ATOM 14 C ILE A 22 2.307 11.294 -17.346 1.00 46.51 C ATOM 15 O ILE A 22 3.265 11.948 -16.930 1.00 51.61 O ATOM 16 CB ILE A 22 0.724 10.549 -15.511 1.00 39.61 C ATOM 17 CG1 ILE A 22 -0.140 9.372 -15.076 1.00 37.01 C ATOM 18 CG2 ILE A 22 -0.164 11.650 -16.068 1.00 42.75 C ATOM 19 CD1 ILE A 22 -1.321 9.800 -14.285 1.00 33.51 C ATOM 20 H ILE A 22 3.415 9.844 -15.171 1.00 0.00 H ATOM 21 N GLY A 23 1.702 11.575 -18.496 1.00 42.77 N ATOM 22 CA GLY A 23 2.177 12.641 -19.359 1.00 39.34 C ATOM 23 C GLY A 23 1.960 14.063 -18.877 1.00 43.76 C ATOM 24 O GLY A 23 2.923 14.784 -18.592 1.00 46.78 O ATOM 25 H GLY A 23 0.871 11.019 -18.783 1.00 0.00 H ATOM 26 N GLY A 24 0.704 14.489 -18.806 1.00 34.11 N ATOM 27 CA GLY A 24 0.409 15.838 -18.357 1.00 31.54 C ATOM 28 C GLY A 24 0.424 15.938 -16.846 1.00 33.44 C ATOM 29 O GLY A 24 1.307 15.395 -16.181 1.00 36.54 O ATOM 30 H GLY A 24 -0.073 13.852 -19.074 1.00 0.00 H ATOM 31 N CYS A 25 -0.559 16.636 -16.294 1.00 29.31 N ATOM 32 CA CYS A 25 -0.704 16.684 -14.853 1.00 26.02 C ATOM 33 C CYS A 25 -0.922 15.278 -14.299 1.00 26.98 C ATOM 34 O CYS A 25 -1.711 14.511 -14.830 1.00 29.99 O ATOM 35 CB CYS A 25 -1.877 17.586 -14.460 1.00 25.09 C ATOM 36 SG CYS A 25 -2.117 17.790 -12.670 1.00 16.50 S ATOM 37 H CYS A 25 -1.230 17.152 -16.899 1.00 0.00 H ATOM 38 N CYS A 26 -0.248 14.934 -13.218 1.00 22.79 N ATOM 39 CA CYS A 26 -0.392 13.593 -12.698 1.00 22.82 C ATOM 40 C CYS A 26 -1.495 13.522 -11.640 1.00 25.92 C ATOM 41 O CYS A 26 -1.670 12.500 -10.970 1.00 24.36 O ATOM 42 CB CYS A 26 0.940 13.105 -12.130 1.00 24.61 C ATOM 43 SG CYS A 26 1.461 13.992 -10.658 1.00 29.37 S ATOM 44 H CYS A 26 0.378 15.618 -12.747 1.00 0.00 H ATOM 45 N VAL A 27 -2.246 14.605 -11.497 1.00 26.56 N ATOM 46 CA VAL A 27 -3.339 14.612 -10.545 1.00 23.93 C ATOM 47 C VAL A 27 -4.667 14.507 -11.264 1.00 23.23 C ATOM 48 O VAL A 27 -5.524 13.702 -10.877 1.00 22.80 O ATOM 49 CB VAL A 27 -3.326 15.877 -9.658 1.00 23.55 C ATOM 50 CG1 VAL A 27 -4.573 15.918 -8.771 1.00 21.95 C ATOM 51 CG2 VAL A 27 -2.083 15.892 -8.803 1.00 18.52 C ATOM 52 H VAL A 27 -2.051 15.451 -12.069 1.00 0.00 H ATOM 53 N CYS A 28 -4.831 15.312 -12.311 1.00 20.17 N ATOM 54 CA CYS A 28 -6.092 15.381 -13.034 1.00 20.65 C ATOM 55 C CYS A 28 -5.968 14.856 -14.444 1.00 24.81 C ATOM 56 O CYS A 28 -6.974 14.736 -15.145 1.00 26.88 O ATOM 57 CB CYS A 28 -6.605 16.820 -13.069 1.00 26.57 C ATOM 58 SG CYS A 28 -5.674 17.950 -14.133 1.00 30.73 S ATOM 59 H CYS A 28 -4.037 15.908 -12.621 1.00 0.00 H ATOM 60 N SER A 29 -4.728 14.581 -14.849 1.00 23.74 N ATOM 61 CA SER A 29 -4.368 14.063 -16.183 1.00 33.56 C ATOM 62 C SER A 29 -4.534 15.043 -17.354 1.00 35.31 C ATOM 63 O SER A 29 -4.108 14.734 -18.468 1.00 39.10 O ATOM 64 CB SER A 29 -5.143 12.780 -16.499 1.00 29.17 C ATOM 65 OG SER A 29 -4.447 11.651 -15.993 1.00 41.22 O ATOM 66 HG SER A 29 -4.957 10.829 -16.203 1.00 0.00 H ATOM 67 H SER A 29 -3.955 14.744 -14.173 1.00 0.00 H ATOM 68 N ASP A 30 -5.133 16.209 -17.116 1.00 31.75 N ATOM 69 CA ASP A 30 -5.260 17.229 -18.159 1.00 31.83 C ATOM 70 C ASP A 30 -3.860 17.581 -18.693 1.00 32.63 C ATOM 71 O ASP A 30 -2.892 17.641 -17.924 1.00 33.48 O ATOM 72 CB ASP A 30 -5.976 18.463 -17.602 1.00 31.02 C ATOM 73 CG ASP A 30 -6.692 19.271 -18.667 1.00 39.31 C ATOM 74 OD1 ASP A 30 -7.807 19.763 -18.375 1.00 47.42 O ATOM 75 OD2 ASP A 30 -6.142 19.443 -19.777 1.00 37.78 O ATOM 76 H ASP A 30 -5.519 16.399 -16.169 1.00 0.00 H ATOM 77 N GLU A 31 -3.736 17.772 -20.003 1.00 32.12 N ATOM 78 CA GLU A 31 -2.427 18.048 -20.582 1.00 28.59 C ATOM 79 C GLU A 31 -2.260 19.507 -20.917 1.00 28.20 C ATOM 80 O GLU A 31 -1.159 19.957 -21.231 1.00 28.99 O ATOM 81 CB GLU A 31 -2.198 17.196 -21.825 1.00 31.94 C ATOM 82 CG GLU A 31 -2.373 15.699 -21.541 1.00 43.98 C ATOM 83 CD GLU A 31 -2.271 14.822 -22.783 1.00 47.27 C ATOM 84 OE1 GLU A 31 -2.878 13.730 -22.797 1.00 54.55 O ATOM 85 OE2 GLU A 31 -1.568 15.206 -23.739 1.00 54.77 O ATOM 86 H GLU A 31 -4.575 17.724 -20.616 1.00 0.00 H ATOM 87 N ARG A 32 -3.346 20.257 -20.838 1.00 24.79 N ATOM 88 CA ARG A 32 -3.269 21.662 -21.153 1.00 28.93 C ATOM 89 C ARG A 32 -3.069 22.522 -19.901 1.00 28.19 C ATOM 90 O ARG A 32 -3.625 22.254 -18.843 1.00 33.14 O ATOM 91 CB ARG A 32 -4.515 22.086 -21.934 1.00 27.76 C ATOM 92 CG ARG A 32 -4.216 22.303 -23.413 1.00 36.86 C ATOM 93 CD ARG A 32 -5.226 23.188 -24.103 1.00 46.46 C ATOM 94 NE ARG A 32 -5.207 24.544 -23.557 1.00 46.16 N ATOM 95 CZ ARG A 32 -6.283 25.320 -23.488 1.00 49.33 C ATOM 96 NH1 ARG A 32 -7.444 24.877 -23.956 1.00 48.26 N ATOM 97 NH2 ARG A 32 -6.204 26.532 -22.964 1.00 47.50 N ATOM 98 HE ARG A 32 -4.304 24.921 -23.204 1.00 0.00 H ATOM 99 HH12 ARG A 32 -8.290 25.480 -23.905 1.00 0.00 H ATOM 100 HH11 ARG A 32 -7.508 23.927 -24.374 1.00 0.00 H ATOM 101 HH22 ARG A 32 -7.051 27.133 -22.914 1.00 0.00 H ATOM 102 HH21 ARG A 32 -5.295 26.884 -22.602 1.00 0.00 H ATOM 103 H ARG A 32 -4.252 19.835 -20.550 1.00 0.00 H ATOM 104 N GLY A 33 -2.241 23.547 -20.028 1.00 24.86 N ATOM 105 CA GLY A 33 -2.036 24.505 -18.953 1.00 25.52 C ATOM 106 C GLY A 33 -2.905 25.727 -19.166 1.00 26.50 C ATOM 107 O GLY A 33 -3.607 25.813 -20.170 1.00 30.86 O ATOM 108 H GLY A 33 -1.723 23.671 -20.921 1.00 0.00 H ATOM 109 N TRP A 34 -2.876 26.671 -18.232 1.00 23.47 N ATOM 110 CA TRP A 34 -3.744 27.843 -18.317 1.00 22.78 C ATOM 111 C TRP A 34 -3.056 29.054 -17.718 1.00 25.87 C ATOM 112 O TRP A 34 -2.209 28.918 -16.846 1.00 23.41 O ATOM 113 CB TRP A 34 -5.058 27.605 -17.595 1.00 27.95 C ATOM 114 CG TRP A 34 -5.606 26.224 -17.759 1.00 32.97 C ATOM 115 CD1 TRP A 34 -5.330 25.126 -16.984 1.00 32.24 C ATOM 116 CD2 TRP A 34 -6.539 25.794 -18.759 1.00 32.90 C ATOM 117 NE1 TRP A 34 -6.032 24.038 -17.450 1.00 40.28 N ATOM 118 CE2 TRP A 34 -6.771 24.415 -18.522 1.00 37.41 C ATOM 119 CE3 TRP A 34 -7.186 26.433 -19.807 1.00 34.93 C ATOM 120 CZ2 TRP A 34 -7.646 23.677 -19.330 1.00 38.16 C ATOM 121 CZ3 TRP A 34 -8.045 25.695 -20.597 1.00 46.52 C ATOM 122 CH2 TRP A 34 -8.268 24.327 -20.354 1.00 43.97 C ATOM 123 HE1 TRP A 34 -6.001 23.081 -17.045 1.00 0.00 H ATOM 124 H TRP A 34 -2.225 26.574 -17.427 1.00 0.00 H ATOM 125 N ALA A 35 -3.437 30.238 -18.181 1.00 31.99 N ATOM 126 CA ALA A 35 -2.720 31.458 -17.851 1.00 27.68 C ATOM 127 C ALA A 35 -2.567 31.652 -16.342 1.00 31.60 C ATOM 128 O ALA A 35 -1.466 31.949 -15.857 1.00 35.46 O ATOM 129 CB ALA A 35 -3.410 32.644 -18.479 1.00 20.24 C ATOM 130 H ALA A 35 -4.273 30.294 -18.798 1.00 0.00 H ATOM 131 N GLU A 36 -3.658 31.465 -15.604 1.00 30.85 N ATOM 132 CA GLU A 36 -3.609 31.569 -14.151 1.00 33.63 C ATOM 133 C GLU A 36 -3.753 30.208 -13.473 1.00 29.65 C ATOM 134 O GLU A 36 -4.160 30.128 -12.319 1.00 31.63 O ATOM 135 CB GLU A 36 -4.697 32.521 -13.639 1.00 48.34 C ATOM 136 CG GLU A 36 -4.549 33.983 -14.104 1.00 55.86 C ATOM 137 CD GLU A 36 -3.218 34.635 -13.702 1.00 68.05 C ATOM 138 OE1 GLU A 36 -2.753 34.416 -12.559 1.00 75.95 O ATOM 139 OE2 GLU A 36 -2.639 35.371 -14.539 1.00 64.19 O ATOM 140 H GLU A 36 -4.560 31.241 -16.071 1.00 0.00 H ATOM 141 N ASN A 37 -3.418 29.145 -14.199 1.00 28.30 N ATOM 142 CA ASN A 37 -3.384 27.790 -13.663 1.00 21.87 C ATOM 143 C ASN A 37 -2.432 26.919 -14.482 1.00 22.70 C ATOM 144 O ASN A 37 -2.859 25.986 -15.166 1.00 21.16 O ATOM 145 CB ASN A 37 -4.777 27.178 -13.654 1.00 20.65 C ATOM 146 CG ASN A 37 -4.829 25.883 -12.880 1.00 21.42 C ATOM 147 OD1 ASN A 37 -3.923 25.577 -12.101 1.00 19.15 O ATOM 148 ND2 ASN A 37 -5.886 25.115 -13.087 1.00 21.63 N ATOM 149 HD22 ASN A 37 -6.625 25.416 -13.754 1.00 0.00 H ATOM 150 HD21 ASN A 37 -5.978 24.210 -12.582 1.00 0.00 H ATOM 151 H ASN A 37 -3.168 29.288 -15.198 1.00 0.00 H ATOM 152 N PRO A 38 -1.132 27.219 -14.409 1.00 22.73 N ATOM 153 CA PRO A 38 -0.143 26.618 -15.300 1.00 19.25 C ATOM 154 C PRO A 38 0.286 25.246 -14.842 1.00 21.43 C ATOM 155 O PRO A 38 0.194 24.938 -13.651 1.00 21.65 O ATOM 156 CB PRO A 38 1.030 27.591 -15.206 1.00 21.22 C ATOM 157 CG PRO A 38 0.969 28.060 -13.813 1.00 19.95 C ATOM 158 CD PRO A 38 -0.493 28.103 -13.420 1.00 20.75 C ATOM 159 N LEU A 39 0.753 24.439 -15.784 1.00 23.00 N ATOM 160 CA LEU A 39 1.464 23.215 -15.463 1.00 20.87 C ATOM 161 C LEU A 39 2.791 23.606 -14.833 1.00 20.31 C ATOM 162 O LEU A 39 3.519 24.427 -15.371 1.00 24.89 O ATOM 163 CB LEU A 39 1.680 22.365 -16.718 1.00 20.65 C ATOM 164 CG LEU A 39 0.392 21.793 -17.303 1.00 22.88 C ATOM 165 CD1 LEU A 39 0.637 21.351 -18.722 1.00 24.94 C ATOM 166 CD2 LEU A 39 -0.089 20.624 -16.456 1.00 21.75 C ATOM 167 H LEU A 39 0.606 24.690 -16.782 1.00 0.00 H ATOM 168 N VAL A 40 3.083 23.036 -13.671 1.00 25.24 N ATOM 169 CA VAL A 40 4.349 23.272 -12.994 1.00 24.11 C ATOM 170 C VAL A 40 5.112 21.955 -12.869 1.00 24.25 C ATOM 171 O VAL A 40 4.548 20.923 -12.468 1.00 19.96 O ATOM 172 CB VAL A 40 4.157 23.893 -11.595 1.00 21.99 C ATOM 173 CG1 VAL A 40 5.481 24.436 -11.085 1.00 24.04 C ATOM 174 CG2 VAL A 40 3.110 25.002 -11.626 1.00 19.83 C ATOM 175 H VAL A 40 2.386 22.402 -13.231 1.00 0.00 H ATOM 176 N TYR A 41 6.395 22.003 -13.217 1.00 22.53 N ATOM 177 CA TYR A 41 7.224 20.808 -13.305 1.00 21.88 C ATOM 178 C TYR A 41 8.277 20.803 -12.223 1.00 23.58 C ATOM 179 O TYR A 41 8.918 21.817 -11.973 1.00 28.49 O ATOM 180 CB TYR A 41 7.874 20.724 -14.690 1.00 28.03 C ATOM 181 CG TYR A 41 6.849 20.611 -15.801 1.00 28.50 C ATOM 182 CD1 TYR A 41 6.183 21.739 -16.282 1.00 28.98 C ATOM 183 CD2 TYR A 41 6.539 19.385 -16.356 1.00 23.81 C ATOM 184 CE1 TYR A 41 5.236 21.641 -17.278 1.00 25.25 C ATOM 185 CE2 TYR A 41 5.594 19.278 -17.351 1.00 28.70 C ATOM 186 CZ TYR A 41 4.945 20.415 -17.812 1.00 26.79 C ATOM 187 OH TYR A 41 3.996 20.315 -18.807 1.00 28.19 O ATOM 188 HH TYR A 41 3.638 21.215 -19.012 1.00 0.00 H ATOM 189 H TYR A 41 6.822 22.926 -13.434 1.00 0.00 H ATOM 190 N CYS A 42 8.453 19.666 -11.563 1.00 22.89 N ATOM 191 CA CYS A 42 9.428 19.582 -10.488 1.00 22.82 C ATOM 192 C CYS A 42 10.815 19.327 -11.059 1.00 22.38 C ATOM 193 O CYS A 42 11.000 18.442 -11.880 1.00 25.61 O ATOM 194 CB CYS A 42 9.025 18.488 -9.493 1.00 24.69 C ATOM 195 SG CYS A 42 10.182 18.157 -8.148 1.00 23.32 S ATOM 196 H CYS A 42 7.890 18.829 -11.816 1.00 0.00 H ATOM 197 N ASP A 43 11.791 20.100 -10.605 1.00 25.76 N ATOM 198 CA ASP A 43 13.154 19.991 -11.091 1.00 27.80 C ATOM 199 C ASP A 43 13.927 19.051 -10.193 1.00 30.17 C ATOM 200 O ASP A 43 15.156 18.986 -10.241 1.00 30.19 O ATOM 201 CB ASP A 43 13.825 21.361 -11.120 1.00 35.19 C ATOM 202 CG ASP A 43 14.710 21.560 -12.337 1.00 44.97 C ATOM 203 OD1 ASP A 43 15.297 20.568 -12.850 1.00 48.82 O ATOM 204 OD2 ASP A 43 14.815 22.724 -12.782 1.00 50.41 O ATOM 205 H ASP A 43 11.573 20.809 -9.876 1.00 0.00 H ATOM 206 N GLY A 44 13.189 18.331 -9.358 1.00 31.78 N ATOM 207 CA GLY A 44 13.791 17.385 -8.448 1.00 34.10 C ATOM 208 C GLY A 44 14.574 16.349 -9.219 1.00 32.93 C ATOM 209 O GLY A 44 14.077 15.777 -10.187 1.00 32.71 O ATOM 210 H GLY A 44 12.156 18.450 -9.359 1.00 0.00 H ATOM 211 N HIS A 45 15.811 16.125 -8.801 1.00 36.27 N ATOM 212 CA HIS A 45 16.601 15.065 -9.386 1.00 42.66 C ATOM 213 C HIS A 45 15.844 13.746 -9.291 1.00 39.36 C ATOM 214 O HIS A 45 15.408 13.343 -8.213 1.00 34.44 O ATOM 215 CB HIS A 45 17.958 14.943 -8.702 1.00 42.51 C ATOM 216 CG HIS A 45 18.777 13.805 -9.233 1.00 48.51 C ATOM 217 ND1 HIS A 45 19.140 12.725 -8.451 1.00 50.59 N ATOM 218 CD2 HIS A 45 19.253 13.561 -10.469 1.00 46.42 C ATOM 219 CE1 HIS A 45 19.831 11.876 -9.192 1.00 53.19 C ATOM 220 NE2 HIS A 45 19.917 12.350 -10.416 1.00 54.40 N ATOM 221 H HIS A 45 16.216 16.716 -8.047 1.00 0.00 H ATOM 222 N GLY A 46 15.670 13.093 -10.436 1.00 36.85 N ATOM 223 CA GLY A 46 14.986 11.815 -10.491 1.00 36.81 C ATOM 224 C GLY A 46 13.481 11.896 -10.308 1.00 39.87 C ATOM 225 O GLY A 46 12.824 10.881 -10.080 1.00 39.18 O ATOM 226 H GLY A 46 16.034 13.510 -11.316 1.00 0.00 H ATOM 227 N CYS A 47 12.930 13.101 -10.413 1.00 39.39 N ATOM 228 CA CYS A 47 11.503 13.305 -10.226 1.00 33.14 C ATOM 229 C CYS A 47 10.836 13.797 -11.513 1.00 28.51 C ATOM 230 O CYS A 47 11.375 14.645 -12.227 1.00 31.93 O ATOM 231 CB CYS A 47 11.271 14.287 -9.079 1.00 30.16 C ATOM 232 SG CYS A 47 9.538 14.612 -8.741 1.00 25.89 S ATOM 233 H CYS A 47 13.535 13.918 -10.634 1.00 0.00 H ATOM 234 N SER A 48 9.664 13.247 -11.809 1.00 27.99 N ATOM 235 CA SER A 48 8.965 13.559 -13.053 1.00 30.83 C ATOM 236 C SER A 48 7.556 14.054 -12.760 1.00 29.30 C ATOM 237 O SER A 48 6.669 13.995 -13.616 1.00 29.86 O ATOM 238 CB SER A 48 8.894 12.334 -13.963 1.00 38.68 C ATOM 239 OG SER A 48 8.191 11.291 -13.314 1.00 40.37 O ATOM 240 HG SER A 48 7.273 11.595 -13.103 1.00 0.00 H ATOM 241 H SER A 48 9.234 12.578 -11.139 1.00 0.00 H ATOM 242 N VAL A 49 7.350 14.517 -11.535 1.00 23.84 N ATOM 243 CA VAL A 49 6.100 15.132 -11.162 1.00 21.30 C ATOM 244 C VAL A 49 5.828 16.399 -11.965 1.00 22.41 C ATOM 245 O VAL A 49 6.680 17.304 -12.061 1.00 21.22 O ATOM 246 CB VAL A 49 6.064 15.470 -9.655 1.00 20.50 C ATOM 247 CG1 VAL A 49 5.056 16.561 -9.382 1.00 17.92 C ATOM 248 CG2 VAL A 49 5.711 14.236 -8.870 1.00 19.27 C ATOM 249 H VAL A 49 8.107 14.435 -10.827 1.00 0.00 H ATOM 250 N ALA A 50 4.626 16.430 -12.541 1.00 18.62 N ATOM 251 CA ALA A 50 4.055 17.605 -13.170 1.00 19.61 C ATOM 252 C ALA A 50 2.608 17.741 -12.671 1.00 22.59 C ATOM 253 O ALA A 50 1.831 16.772 -12.698 1.00 19.18 O ATOM 254 CB ALA A 50 4.120 17.496 -14.725 1.00 19.61 C ATOM 255 H ALA A 50 4.062 15.556 -12.539 1.00 0.00 H ATOM 256 N VAL A 51 2.272 18.938 -12.191 1.00 18.51 N ATOM 257 CA VAL A 51 0.955 19.233 -11.645 1.00 16.44 C ATOM 258 C VAL A 51 0.505 20.652 -11.973 1.00 21.66 C ATOM 259 O VAL A 51 1.329 21.560 -12.055 1.00 19.44 O ATOM 260 CB VAL A 51 0.940 19.110 -10.137 1.00 17.80 C ATOM 261 CG1 VAL A 51 0.886 17.663 -9.707 1.00 21.00 C ATOM 262 CG2 VAL A 51 2.164 19.846 -9.547 1.00 22.54 C ATOM 263 H VAL A 51 2.983 19.696 -12.207 1.00 0.00 H ATOM 264 N HIS A 52 -0.800 20.847 -12.151 1.00 21.17 N ATOM 265 CA HIS A 52 -1.337 22.197 -12.210 1.00 20.60 C ATOM 266 C HIS A 52 -1.121 22.855 -10.855 1.00 23.09 C ATOM 267 O HIS A 52 -1.108 22.165 -9.830 1.00 24.79 O ATOM 268 CB HIS A 52 -2.830 22.206 -12.566 1.00 22.89 C ATOM 269 CG HIS A 52 -3.112 21.832 -13.982 1.00 24.86 C ATOM 270 ND1 HIS A 52 -3.677 20.620 -14.328 1.00 20.26 N ATOM 271 CD2 HIS A 52 -2.882 22.482 -15.148 1.00 25.71 C ATOM 272 CE1 HIS A 52 -3.794 20.552 -15.643 1.00 27.23 C ATOM 273 NE2 HIS A 52 -3.315 21.673 -16.162 1.00 27.39 N ATOM 274 H HIS A 52 -1.437 20.031 -12.248 1.00 0.00 H ATOM 275 N GLN A 53 -0.934 24.175 -10.855 1.00 20.71 N ATOM 276 CA GLN A 53 -0.867 24.951 -9.621 1.00 19.90 C ATOM 277 C GLN A 53 -2.062 24.611 -8.727 1.00 20.17 C ATOM 278 O GLN A 53 -1.905 24.346 -7.529 1.00 17.07 O ATOM 279 CB GLN A 53 -0.828 26.453 -9.930 1.00 18.14 C ATOM 280 CG GLN A 53 -0.867 27.321 -8.705 1.00 20.83 C ATOM 281 CD GLN A 53 -0.782 28.818 -9.009 1.00 25.48 C ATOM 282 OE1 GLN A 53 -0.862 29.244 -10.161 1.00 26.23 O ATOM 283 NE2 GLN A 53 -0.638 29.618 -7.963 1.00 18.87 N ATOM 284 HE22 GLN A 53 -0.574 29.216 -7.006 1.00 0.00 H ATOM 285 HE21 GLN A 53 -0.589 30.648 -8.099 1.00 0.00 H ATOM 286 H GLN A 53 -0.832 24.668 -11.765 1.00 0.00 H ATOM 287 N ALA A 54 -3.247 24.572 -9.328 1.00 17.38 N ATOM 288 CA ALA A 54 -4.475 24.352 -8.572 1.00 20.00 C ATOM 289 C ALA A 54 -4.672 22.868 -8.193 1.00 21.84 C ATOM 290 O ALA A 54 -5.565 22.529 -7.411 1.00 21.72 O ATOM 291 CB ALA A 54 -5.667 24.874 -9.362 1.00 15.52 C ATOM 292 H ALA A 54 -3.300 24.701 -10.359 1.00 0.00 H ATOM 293 N CYS A 55 -3.827 21.986 -8.717 1.00 21.77 N ATOM 294 CA CYS A 55 -3.966 20.569 -8.402 1.00 22.48 C ATOM 295 C CYS A 55 -3.045 20.160 -7.246 1.00 22.57 C ATOM 296 O CYS A 55 -3.164 19.038 -6.722 1.00 22.55 O ATOM 297 CB CYS A 55 -3.688 19.690 -9.650 1.00 19.92 C ATOM 298 SG CYS A 55 -5.051 19.616 -10.890 1.00 24.12 S ATOM 299 H CYS A 55 -3.067 22.306 -9.351 1.00 0.00 H ATOM 300 N TYR A 56 -2.156 21.065 -6.832 1.00 19.15 N ATOM 301 CA TYR A 56 -1.167 20.756 -5.792 1.00 19.73 C ATOM 302 C TYR A 56 -1.147 21.847 -4.716 1.00 20.67 C ATOM 303 O TYR A 56 -0.389 21.769 -3.754 1.00 22.70 O ATOM 304 CB TYR A 56 0.214 20.590 -6.432 1.00 15.69 C ATOM 305 CG TYR A 56 1.283 19.870 -5.643 1.00 18.12 C ATOM 306 CD1 TYR A 56 1.187 18.503 -5.355 1.00 29.22 C ATOM 307 CD2 TYR A 56 2.436 20.527 -5.252 1.00 19.43 C ATOM 308 CE1 TYR A 56 2.215 17.818 -4.639 1.00 22.20 C ATOM 309 CE2 TYR A 56 3.461 19.861 -4.550 1.00 20.26 C ATOM 310 CZ TYR A 56 3.349 18.515 -4.249 1.00 20.02 C ATOM 311 OH TYR A 56 4.375 17.885 -3.574 1.00 20.09 O ATOM 312 HH TYR A 56 4.142 16.933 -3.437 1.00 0.00 H ATOM 313 H TYR A 56 -2.164 22.014 -7.257 1.00 0.00 H ATOM 314 N GLY A 57 -1.984 22.866 -4.872 1.00 20.09 N ATOM 315 CA GLY A 57 -2.019 23.956 -3.912 1.00 17.47 C ATOM 316 C GLY A 57 -0.712 24.730 -3.840 1.00 18.64 C ATOM 317 O GLY A 57 -0.202 25.026 -2.761 1.00 21.16 O ATOM 318 H GLY A 57 -2.623 22.884 -5.692 1.00 0.00 H ATOM 319 N ILE A 58 -0.153 25.062 -4.995 1.00 23.92 N ATOM 320 CA ILE A 58 1.048 25.876 -5.032 1.00 18.30 C ATOM 321 C ILE A 58 0.656 27.328 -4.810 1.00 21.46 C ATOM 322 O ILE A 58 -0.174 27.878 -5.529 1.00 22.64 O ATOM 323 CB ILE A 58 1.794 25.711 -6.359 1.00 25.07 C ATOM 324 CG1 ILE A 58 2.197 24.238 -6.539 1.00 20.98 C ATOM 325 CG2 ILE A 58 3.013 26.639 -6.421 1.00 18.11 C ATOM 326 CD1 ILE A 58 2.776 23.929 -7.870 1.00 21.31 C ATOM 327 H ILE A 58 -0.580 24.735 -5.885 1.00 0.00 H ATOM 328 N VAL A 59 1.228 27.938 -3.785 1.00 18.51 N ATOM 329 CA VAL A 59 0.872 29.299 -3.433 1.00 21.78 C ATOM 330 C VAL A 59 1.357 30.310 -4.484 1.00 27.31 C ATOM 331 O VAL A 59 0.596 31.170 -4.950 1.00 22.31 O ATOM 332 CB VAL A 59 1.460 29.688 -2.062 1.00 20.72 C ATOM 333 CG1 VAL A 59 1.101 31.113 -1.743 1.00 25.27 C ATOM 334 CG2 VAL A 59 0.944 28.763 -0.979 1.00 24.45 C ATOM 335 H VAL A 59 1.944 27.434 -3.223 1.00 0.00 H ATOM 336 N GLN A 60 2.635 30.209 -4.835 1.00 25.61 N ATOM 337 CA GLN A 60 3.208 31.083 -5.839 1.00 28.61 C ATOM 338 C GLN A 60 4.207 30.332 -6.722 1.00 30.14 C ATOM 339 O GLN A 60 5.265 29.903 -6.249 1.00 26.88 O ATOM 340 CB GLN A 60 3.882 32.288 -5.185 1.00 26.78 C ATOM 341 CG GLN A 60 4.567 33.197 -6.206 1.00 28.04 C ATOM 342 CD GLN A 60 5.121 34.486 -5.608 1.00 32.41 C ATOM 343 OE1 GLN A 60 4.708 34.928 -4.529 1.00 28.48 O ATOM 344 NE2 GLN A 60 6.090 35.079 -6.301 1.00 29.51 N ATOM 345 HE22 GLN A 60 6.407 34.673 -7.204 1.00 0.00 H ATOM 346 HE21 GLN A 60 6.531 35.949 -5.939 1.00 0.00 H ATOM 347 H GLN A 60 3.234 29.490 -4.381 1.00 0.00 H ATOM 348 N VAL A 61 3.859 30.188 -8.002 1.00 25.97 N ATOM 349 CA VAL A 61 4.727 29.556 -8.991 1.00 26.89 C ATOM 350 C VAL A 61 6.025 30.354 -9.184 1.00 26.82 C ATOM 351 O VAL A 61 5.987 31.517 -9.598 1.00 26.38 O ATOM 352 CB VAL A 61 4.021 29.426 -10.349 1.00 25.90 C ATOM 353 CG1 VAL A 61 4.812 28.504 -11.262 1.00 30.58 C ATOM 354 CG2 VAL A 61 2.586 28.933 -10.177 1.00 23.21 C ATOM 355 H VAL A 61 2.930 30.541 -8.308 1.00 0.00 H ATOM 356 N PRO A 62 7.175 29.733 -8.877 1.00 26.23 N ATOM 357 CA PRO A 62 8.484 30.388 -8.949 1.00 28.97 C ATOM 358 C PRO A 62 8.872 30.745 -10.381 1.00 30.82 C ATOM 359 O PRO A 62 8.386 30.133 -11.328 1.00 29.74 O ATOM 360 CB PRO A 62 9.451 29.330 -8.392 1.00 29.17 C ATOM 361 CG PRO A 62 8.600 28.260 -7.789 1.00 25.22 C ATOM 362 CD PRO A 62 7.303 28.308 -8.534 1.00 31.47 C ATOM 363 N THR A 63 9.740 31.736 -10.532 1.00 37.74 N ATOM 364 CA THR A 63 10.315 32.064 -11.838 1.00 41.91 C ATOM 365 C THR A 63 11.657 31.371 -11.943 1.00 36.51 C ATOM 366 O THR A 63 12.680 31.992 -12.205 1.00 43.19 O ATOM 367 CB THR A 63 10.460 33.589 -12.040 1.00 35.99 C ATOM 368 OG1 THR A 63 9.211 34.212 -11.715 1.00 44.41 O ATOM 369 CG2 THR A 63 10.798 33.928 -13.483 1.00 38.10 C ATOM 370 HG1 THR A 63 9.289 35.191 -11.840 1.00 0.00 H ATOM 371 H THR A 63 10.020 32.295 -9.701 1.00 0.00 H ATOM 372 N GLY A 64 11.638 30.068 -11.703 1.00 34.92 N ATOM 373 CA GLY A 64 12.820 29.243 -11.832 1.00 36.83 C ATOM 374 C GLY A 64 12.479 27.821 -11.447 1.00 35.53 C ATOM 375 O GLY A 64 11.355 27.363 -11.662 1.00 33.94 O ATOM 376 H GLY A 64 10.744 29.623 -11.412 1.00 0.00 H ATOM 377 N PRO A 65 13.444 27.116 -10.857 1.00 36.50 N ATOM 378 CA PRO A 65 13.189 25.748 -10.411 1.00 35.94 C ATOM 379 C PRO A 65 12.136 25.721 -9.293 1.00 32.74 C ATOM 380 O PRO A 65 12.033 26.671 -8.508 1.00 28.91 O ATOM 381 CB PRO A 65 14.561 25.283 -9.909 1.00 39.27 C ATOM 382 CG PRO A 65 15.248 26.541 -9.485 1.00 34.88 C ATOM 383 CD PRO A 65 14.750 27.623 -10.405 1.00 37.81 C ATOM 384 N TRP A 66 11.352 24.648 -9.263 1.00 31.76 N ATOM 385 CA TRP A 66 10.339 24.408 -8.236 1.00 25.87 C ATOM 386 C TRP A 66 10.451 22.944 -7.798 1.00 26.83 C ATOM 387 O TRP A 66 10.742 22.067 -8.607 1.00 26.84 O ATOM 388 CB TRP A 66 8.930 24.730 -8.760 1.00 23.56 C ATOM 389 CG TRP A 66 7.805 24.269 -7.855 1.00 28.42 C ATOM 390 CD1 TRP A 66 7.250 24.965 -6.825 1.00 25.20 C ATOM 391 CD2 TRP A 66 7.107 23.011 -7.913 1.00 25.53 C ATOM 392 NE1 TRP A 66 6.258 24.228 -6.234 1.00 22.98 N ATOM 393 CE2 TRP A 66 6.145 23.031 -6.876 1.00 25.82 C ATOM 394 CE3 TRP A 66 7.206 21.876 -8.724 1.00 23.10 C ATOM 395 CZ2 TRP A 66 5.290 21.954 -6.630 1.00 25.51 C ATOM 396 CZ3 TRP A 66 6.350 20.813 -8.489 1.00 23.84 C ATOM 397 CH2 TRP A 66 5.401 20.860 -7.444 1.00 30.31 C ATOM 398 HE1 TRP A 66 5.682 24.533 -5.424 1.00 0.00 H ATOM 399 H TRP A 66 11.466 23.938 -10.014 1.00 0.00 H ATOM 400 N PHE A 67 10.238 22.674 -6.518 1.00 28.44 N ATOM 401 CA PHE A 67 10.373 21.307 -6.031 1.00 30.18 C ATOM 402 C PHE A 67 9.115 20.813 -5.321 1.00 29.78 C ATOM 403 O PHE A 67 8.516 21.552 -4.535 1.00 29.57 O ATOM 404 CB PHE A 67 11.581 21.207 -5.104 1.00 31.87 C ATOM 405 CG PHE A 67 12.880 21.587 -5.766 1.00 37.57 C ATOM 406 CD1 PHE A 67 13.587 20.657 -6.534 1.00 30.07 C ATOM 407 CD2 PHE A 67 13.395 22.877 -5.631 1.00 30.36 C ATOM 408 CE1 PHE A 67 14.781 21.003 -7.148 1.00 35.05 C ATOM 409 CE2 PHE A 67 14.591 23.224 -6.246 1.00 31.67 C ATOM 410 CZ PHE A 67 15.284 22.288 -7.008 1.00 33.51 C ATOM 411 H PHE A 67 9.975 23.437 -5.862 1.00 0.00 H ATOM 412 N CYS A 68 8.709 19.571 -5.599 1.00 25.70 N ATOM 413 CA CYS A 68 7.509 19.036 -4.969 1.00 24.85 C ATOM 414 C CYS A 68 7.856 18.770 -3.526 1.00 26.70 C ATOM 415 O CYS A 68 9.034 18.691 -3.199 1.00 31.12 O ATOM 416 CB CYS A 68 7.017 17.770 -5.664 1.00 23.73 C ATOM 417 SG CYS A 68 8.022 16.297 -5.402 1.00 32.54 S ATOM 418 H CYS A 68 9.250 18.985 -6.266 1.00 0.00 H ATOM 419 N ARG A 69 6.853 18.633 -2.664 1.00 25.72 N ATOM 420 CA ARG A 69 7.103 18.420 -1.225 1.00 29.86 C ATOM 421 C ARG A 69 8.088 17.272 -0.957 1.00 28.20 C ATOM 422 O ARG A 69 8.987 17.395 -0.124 1.00 28.47 O ATOM 423 CB ARG A 69 5.785 18.152 -0.478 1.00 25.32 C ATOM 424 CG ARG A 69 4.797 19.332 -0.460 1.00 24.55 C ATOM 425 CD ARG A 69 5.414 20.580 0.175 1.00 27.02 C ATOM 426 NE ARG A 69 4.461 21.684 0.316 1.00 25.95 N ATOM 427 CZ ARG A 69 4.821 22.952 0.505 1.00 29.54 C ATOM 428 NH1 ARG A 69 6.108 23.271 0.569 1.00 32.21 N ATOM 429 NH2 ARG A 69 3.908 23.908 0.613 1.00 24.34 N ATOM 430 HE ARG A 69 3.446 21.465 0.266 1.00 0.00 H ATOM 431 HH12 ARG A 69 6.392 24.261 0.717 1.00 0.00 H ATOM 432 HH11 ARG A 69 6.833 22.531 0.472 1.00 0.00 H ATOM 433 HH22 ARG A 69 4.203 24.894 0.760 1.00 0.00 H ATOM 434 HH21 ARG A 69 2.897 23.671 0.550 1.00 0.00 H ATOM 435 H ARG A 69 5.873 18.677 -3.010 1.00 0.00 H ATOM 436 N LYS A 70 7.923 16.170 -1.678 1.00 24.75 N ATOM 437 CA LYS A 70 8.800 15.017 -1.522 1.00 30.13 C ATOM 438 C LYS A 70 10.280 15.339 -1.779 1.00 34.70 C ATOM 439 O LYS A 70 11.144 15.062 -0.936 1.00 32.40 O ATOM 440 CB LYS A 70 8.341 13.895 -2.451 1.00 33.67 C ATOM 441 CG LYS A 70 9.331 12.755 -2.600 1.00 32.47 C ATOM 442 CD LYS A 70 8.832 11.760 -3.630 1.00 35.10 C ATOM 443 CE LYS A 70 9.914 10.782 -4.022 1.00 53.54 C ATOM 444 NZ LYS A 70 10.583 10.298 -2.806 1.00 54.61 N ATOM 445 HZ1 LYS A 70 11.003 11.103 -2.299 1.00 0.00 H ATOM 446 HZ2 LYS A 70 9.887 9.826 -2.194 1.00 0.00 H ATOM 447 HZ3 LYS A 70 11.330 9.623 -3.068 1.00 0.00 H ATOM 448 H LYS A 70 7.149 16.128 -2.371 1.00 0.00 H ATOM 449 N CYS A 71 10.568 15.911 -2.944 1.00 28.62 N ATOM 450 CA CYS A 71 11.921 16.339 -3.270 1.00 28.07 C ATOM 451 C CYS A 71 12.472 17.443 -2.342 1.00 35.20 C ATOM 452 O CYS A 71 13.685 17.633 -2.271 1.00 35.32 O ATOM 453 CB CYS A 71 11.970 16.815 -4.720 1.00 30.01 C ATOM 454 SG CYS A 71 11.859 15.480 -5.927 1.00 36.26 S ATOM 455 H CYS A 71 9.808 16.056 -3.639 1.00 0.00 H ATOM 456 N GLU A 72 11.595 18.171 -1.646 1.00 29.00 N ATOM 457 CA GLU A 72 12.023 19.179 -0.662 1.00 31.61 C ATOM 458 C GLU A 72 12.388 18.560 0.666 1.00 38.11 C ATOM 459 O GLU A 72 13.156 19.132 1.432 1.00 37.11 O ATOM 460 CB GLU A 72 10.940 20.217 -0.410 1.00 29.56 C ATOM 461 CG GLU A 72 10.856 21.278 -1.453 1.00 35.39 C ATOM 462 CD GLU A 72 9.877 22.361 -1.069 1.00 39.78 C ATOM 463 OE1 GLU A 72 9.872 23.429 -1.714 1.00 43.04 O ATOM 464 OE2 GLU A 72 9.108 22.140 -0.109 1.00 41.87 O ATOM 465 H GLU A 72 10.578 18.021 -1.804 1.00 0.00 H ATOM 466 N SER A 73 11.800 17.401 0.941 1.00 37.56 N ATOM 467 CA SER A 73 12.037 16.717 2.186 1.00 36.96 C ATOM 468 C SER A 73 13.375 16.032 2.235 1.00 45.08 C ATOM 469 O SER A 73 14.122 15.969 1.275 1.00 45.90 O ATOM 470 CB SER A 73 10.952 15.677 2.455 1.00 39.02 C ATOM 471 OG SER A 73 11.276 14.454 1.815 1.00 45.91 O ATOM 472 HG SER A 73 11.348 14.603 0.839 1.00 0.00 H ATOM 473 H SER A 73 11.155 16.979 0.243 1.00 0.00 H ATOM 474 N GLN A 74 13.605 15.419 3.377 1.00 57.45 N ATOM 475 CA GLN A 74 14.933 15.142 3.879 1.00 58.92 C ATOM 476 C GLN A 74 15.145 13.644 3.914 1.00 60.27 C ATOM 477 O GLN A 74 15.960 13.142 4.685 1.00 64.90 O ATOM 478 CB GLN A 74 15.028 15.833 5.235 1.00 59.68 C ATOM 479 CG GLN A 74 16.361 16.407 5.750 1.00 64.02 C ATOM 480 CD GLN A 74 17.196 17.295 4.787 1.00 64.77 C ATOM 481 OE1 GLN A 74 18.125 17.943 5.207 1.00 71.15 O ATOM 482 NE2 GLN A 74 16.982 17.155 3.515 1.00 65.28 N ATOM 483 HE22 GLN A 74 16.174 16.591 3.183 1.00 0.00 H ATOM 484 HE21 GLN A 74 17.619 17.607 2.828 1.00 0.00 H ATOM 485 H GLN A 74 12.789 15.118 3.948 1.00 0.00 H ATOM 486 N GLU A 75 14.402 12.946 3.042 1.00 59.49 N ATOM 487 CA GLU A 75 14.533 11.490 2.882 1.00 68.89 C ATOM 488 C GLU A 75 14.328 10.991 1.436 1.00 65.35 C ATOM 489 O GLU A 75 13.571 11.574 0.644 1.00 58.99 O ATOM 490 CB GLU A 75 13.571 10.753 3.834 1.00 69.84 C ATOM 491 CG GLU A 75 12.072 10.969 3.604 1.00 63.73 C ATOM 492 CD GLU A 75 11.212 10.216 4.634 1.00 65.84 C ATOM 493 OE1 GLU A 75 11.400 8.986 4.802 1.00 65.67 O ATOM 494 OE2 GLU A 75 10.332 10.845 5.265 1.00 49.05 O ATOM 495 H GLU A 75 13.708 13.453 2.457 1.00 0.00 H ATOM 496 N ARG A 76 15.007 9.887 1.117 1.00 72.23 N ATOM 497 CA ARG A 76 15.079 9.365 -0.252 1.00 74.76 C ATOM 498 C ARG A 76 13.837 8.567 -0.622 1.00 75.16 C ATOM 499 O ARG A 76 13.101 8.108 0.258 1.00 74.74 O ATOM 500 CB ARG A 76 16.333 8.503 -0.422 1.00 68.32 C ATOM 501 H ARG A 76 15.507 9.375 1.872 1.00 0.00 H ATOM 502 N ALA A 77 13.616 8.403 -1.923 1.00 63.82 N ATOM 503 CA ALA A 77 12.374 7.826 -2.427 1.00 69.82 C ATOM 504 C ALA A 77 12.050 6.438 -1.860 1.00 67.18 C ATOM 505 O ALA A 77 10.878 6.058 -1.780 1.00 66.96 O ATOM 506 CB ALA A 77 12.413 7.776 -3.951 1.00 71.66 C ATOM 507 H ALA A 77 14.349 8.694 -2.601 1.00 0.00 H ATOM 508 N ALA A 78 13.088 5.705 -1.461 1.00 63.86 N ATOM 509 CA ALA A 78 12.950 4.368 -0.881 1.00 69.04 C ATOM 510 C ALA A 78 11.906 4.296 0.238 1.00 73.66 C ATOM 511 O ALA A 78 11.151 3.323 0.335 1.00 71.20 O ATOM 512 CB ALA A 78 14.303 3.891 -0.356 1.00 65.28 C ATOM 513 H ALA A 78 14.043 6.102 -1.567 1.00 0.00 H ATOM 514 N ARG A 79 11.876 5.322 1.086 1.00 70.80 N ATOM 515 CA ARG A 79 10.935 5.357 2.201 1.00 68.80 C ATOM 516 C ARG A 79 9.693 6.170 1.864 1.00 67.43 C ATOM 517 O ARG A 79 8.642 5.993 2.496 1.00 62.18 O ATOM 518 CB ARG A 79 11.602 5.930 3.456 1.00 63.90 C ATOM 519 H ARG A 79 12.536 6.114 0.951 1.00 0.00 H ATOM 520 N VAL A 80 9.802 7.056 0.874 1.00 53.05 N ATOM 521 CA VAL A 80 8.679 7.935 0.574 1.00 53.19 C ATOM 522 C VAL A 80 7.701 7.284 -0.390 1.00 47.85 C ATOM 523 O VAL A 80 7.833 7.400 -1.606 1.00 53.77 O ATOM 524 CB VAL A 80 9.130 9.277 -0.010 1.00 55.60 C ATOM 525 CG1 VAL A 80 7.971 10.259 -0.018 1.00 39.35 C ATOM 526 CG2 VAL A 80 10.286 9.843 0.790 1.00 61.38 C ATOM 527 H VAL A 80 10.680 7.119 0.321 1.00 0.00 H ATOM 528 N ARG A 81 6.726 6.590 0.186 1.00 47.70 N ATOM 529 CA ARG A 81 5.643 5.951 -0.546 1.00 44.77 C ATOM 530 C ARG A 81 4.282 6.481 -0.039 1.00 38.82 C ATOM 531 O ARG A 81 4.181 7.033 1.062 1.00 32.97 O ATOM 532 CB ARG A 81 5.733 4.424 -0.399 1.00 39.22 C ATOM 533 H ARG A 81 6.737 6.498 1.222 1.00 0.00 H ATOM 534 N CYS A 82 3.244 6.332 -0.853 1.00 26.25 N ATOM 535 CA CYS A 82 1.910 6.722 -0.448 1.00 25.30 C ATOM 536 C CYS A 82 1.355 5.726 0.587 1.00 29.50 C ATOM 537 O CYS A 82 1.550 4.518 0.470 1.00 29.07 O ATOM 538 CB CYS A 82 1.002 6.806 -1.680 1.00 25.76 C ATOM 539 SG CYS A 82 -0.707 7.270 -1.341 1.00 21.43 S ATOM 540 H CYS A 82 3.392 5.927 -1.800 1.00 0.00 H ATOM 541 N GLU A 83 0.682 6.229 1.612 1.00 25.26 N ATOM 542 CA GLU A 83 0.086 5.343 2.605 1.00 29.82 C ATOM 543 C GLU A 83 -1.184 4.663 2.104 1.00 33.85 C ATOM 544 O GLU A 83 -1.690 3.727 2.747 1.00 33.74 O ATOM 545 CB GLU A 83 -0.229 6.106 3.886 1.00 25.71 C ATOM 546 CG GLU A 83 0.995 6.350 4.722 1.00 36.80 C ATOM 547 CD GLU A 83 0.667 6.682 6.154 1.00 38.34 C ATOM 548 OE1 GLU A 83 -0.089 5.917 6.794 1.00 44.06 O ATOM 549 OE2 GLU A 83 1.163 7.718 6.636 1.00 40.47 O ATOM 550 H GLU A 83 0.579 7.259 1.708 1.00 0.00 H ATOM 551 N LEU A 84 -1.685 5.113 0.955 1.00 27.51 N ATOM 552 CA LEU A 84 -3.024 4.736 0.536 1.00 24.28 C ATOM 553 C LEU A 84 -3.040 3.835 -0.711 1.00 28.76 C ATOM 554 O LEU A 84 -4.124 3.465 -1.185 1.00 30.66 O ATOM 555 CB LEU A 84 -3.868 5.997 0.285 1.00 22.36 C ATOM 556 CG LEU A 84 -4.062 7.055 1.389 1.00 25.25 C ATOM 557 CD1 LEU A 84 -4.774 8.299 0.836 1.00 18.77 C ATOM 558 CD2 LEU A 84 -4.802 6.517 2.624 1.00 19.89 C ATOM 559 H LEU A 84 -1.113 5.739 0.353 1.00 0.00 H ATOM 560 N CYS A 85 -1.862 3.478 -1.233 1.00 22.52 N ATOM 561 CA CYS A 85 -1.766 2.668 -2.450 1.00 19.92 C ATOM 562 C CYS A 85 -0.329 2.169 -2.675 1.00 23.63 C ATOM 563 O CYS A 85 0.579 2.572 -1.958 1.00 24.84 O ATOM 564 CB CYS A 85 -2.250 3.480 -3.660 1.00 23.92 C ATOM 565 SG CYS A 85 -1.044 4.643 -4.361 1.00 17.50 S ATOM 566 H CYS A 85 -0.987 3.785 -0.761 1.00 0.00 H ATOM 567 N PRO A 86 -0.106 1.284 -3.668 1.00 25.69 N ATOM 568 CA PRO A 86 1.290 0.827 -3.819 1.00 23.08 C ATOM 569 C PRO A 86 2.140 1.541 -4.878 1.00 24.09 C ATOM 570 O PRO A 86 3.298 1.156 -5.071 1.00 24.75 O ATOM 571 CB PRO A 86 1.123 -0.645 -4.194 1.00 21.77 C ATOM 572 CG PRO A 86 -0.171 -0.700 -4.920 1.00 22.92 C ATOM 573 CD PRO A 86 -1.059 0.373 -4.329 1.00 23.43 C ATOM 574 N HIS A 87 1.558 2.478 -5.591 1.00 26.58 N ATOM 575 CA HIS A 87 2.254 3.218 -6.594 1.00 22.32 C ATOM 576 C HIS A 87 3.183 4.274 -6.036 1.00 23.53 C ATOM 577 O HIS A 87 2.913 4.900 -5.075 1.00 23.17 O ATOM 578 CB HIS A 87 1.259 3.709 -7.639 1.00 26.70 C ATOM 579 CG HIS A 87 1.818 4.675 -8.630 1.00 35.53 C ATOM 580 ND1 HIS A 87 1.489 6.008 -8.629 1.00 35.67 N ATOM 581 CD2 HIS A 87 2.677 4.508 -9.650 1.00 33.75 C ATOM 582 CE1 HIS A 87 2.117 6.619 -9.605 1.00 36.46 C ATOM 583 NE2 HIS A 87 2.856 5.732 -10.230 1.00 41.39 N ATOM 584 H HIS A 87 0.554 2.688 -5.419 1.00 0.00 H ATOM 585 N LYS A 88 4.309 4.415 -6.686 1.00 29.98 N ATOM 586 CA LYS A 88 5.431 5.194 -6.235 1.00 33.73 C ATOM 587 C LYS A 88 5.710 6.600 -6.789 1.00 36.03 C ATOM 588 O LYS A 88 6.283 7.434 -6.106 1.00 32.77 O ATOM 589 CB LYS A 88 6.654 4.353 -6.425 1.00 30.41 C ATOM 590 CG LYS A 88 6.661 3.134 -5.576 1.00 30.13 C ATOM 591 H LYS A 88 4.400 3.926 -7.599 1.00 0.00 H ATOM 592 N ASP A 89 5.307 6.862 -8.009 1.00 31.63 N ATOM 593 CA ASP A 89 5.502 8.164 -8.584 1.00 37.56 C ATOM 594 C ASP A 89 4.326 9.000 -8.156 1.00 35.76 C ATOM 595 O ASP A 89 3.668 8.671 -7.202 1.00 30.05 O ATOM 596 CB ASP A 89 5.600 8.082 -10.098 1.00 42.70 C ATOM 597 H ASP A 89 4.841 6.118 -8.567 1.00 0.00 H ATOM 598 N GLY A 90 4.111 10.105 -8.836 1.00 30.30 N ATOM 599 CA GLY A 90 2.980 10.947 -8.582 1.00 27.26 C ATOM 600 C GLY A 90 3.198 11.979 -7.524 1.00 24.60 C ATOM 601 O GLY A 90 4.180 11.965 -6.891 1.00 22.08 O ATOM 602 H GLY A 90 4.783 10.376 -9.582 1.00 0.00 H ATOM 603 N ALA A 91 2.229 12.848 -7.358 1.00 22.03 N ATOM 604 CA ALA A 91 2.379 14.029 -6.549 1.00 25.25 C ATOM 605 C ALA A 91 2.012 13.747 -5.092 1.00 21.23 C ATOM 606 O ALA A 91 0.847 13.516 -4.782 1.00 24.99 O ATOM 607 CB ALA A 91 1.507 15.145 -7.111 1.00 26.48 C ATOM 608 H ALA A 91 1.318 12.677 -7.829 1.00 0.00 H ATOM 609 N LEU A 92 2.988 13.783 -4.194 1.00 17.09 N ATOM 610 CA LEU A 92 2.713 13.433 -2.807 1.00 19.53 C ATOM 611 C LEU A 92 2.579 14.662 -1.925 1.00 21.48 C ATOM 612 O LEU A 92 3.109 15.716 -2.258 1.00 24.67 O ATOM 613 CB LEU A 92 3.809 12.513 -2.273 1.00 21.20 C ATOM 614 CG LEU A 92 3.846 11.137 -2.955 1.00 19.87 C ATOM 615 CD1 LEU A 92 5.102 10.383 -2.604 1.00 22.62 C ATOM 616 CD2 LEU A 92 2.633 10.329 -2.587 1.00 15.73 C ATOM 617 H LEU A 92 3.949 14.061 -4.480 1.00 0.00 H ATOM 618 N LYS A 93 1.835 14.528 -0.826 1.00 20.91 N ATOM 619 CA LYS A 93 1.799 15.523 0.260 1.00 18.21 C ATOM 620 C LYS A 93 1.996 14.816 1.604 1.00 18.45 C ATOM 621 O LYS A 93 1.714 13.625 1.723 1.00 20.63 O ATOM 622 CB LYS A 93 0.469 16.297 0.283 1.00 18.16 C ATOM 623 CG LYS A 93 0.225 17.305 -0.859 1.00 17.37 C ATOM 624 CD LYS A 93 1.338 18.341 -0.944 1.00 19.15 C ATOM 625 CE LYS A 93 1.056 19.494 -1.921 1.00 20.09 C ATOM 626 NZ LYS A 93 0.154 20.570 -1.448 1.00 18.33 N ATOM 627 HZ1 LYS A 93 -0.775 20.165 -1.217 1.00 0.00 H ATOM 628 HZ2 LYS A 93 0.561 21.014 -0.600 1.00 0.00 H ATOM 629 HZ3 LYS A 93 0.046 21.284 -2.196 1.00 0.00 H ATOM 630 H LYS A 93 1.248 13.675 -0.731 1.00 0.00 H ATOM 631 N ARG A 94 2.465 15.530 2.621 1.00 21.30 N ATOM 632 CA ARG A 94 2.577 14.932 3.961 1.00 24.70 C ATOM 633 C ARG A 94 1.214 14.706 4.604 1.00 25.12 C ATOM 634 O ARG A 94 0.275 15.465 4.349 1.00 24.42 O ATOM 635 CB ARG A 94 3.415 15.801 4.894 1.00 21.97 C ATOM 636 CG ARG A 94 4.889 15.665 4.675 1.00 31.65 C ATOM 637 CD ARG A 94 5.643 16.493 5.677 1.00 42.48 C ATOM 638 NE ARG A 94 7.061 16.585 5.341 1.00 49.08 N ATOM 639 CZ ARG A 94 7.946 15.614 5.546 1.00 47.50 C ATOM 640 NH1 ARG A 94 7.560 14.452 6.082 1.00 34.40 N ATOM 641 NH2 ARG A 94 9.218 15.808 5.203 1.00 44.92 N ATOM 642 HE ARG A 94 7.402 17.469 4.913 1.00 0.00 H ATOM 643 HH12 ARG A 94 8.256 13.696 6.240 1.00 0.00 H ATOM 644 HH11 ARG A 94 6.564 14.304 6.341 1.00 0.00 H ATOM 645 HH22 ARG A 94 9.919 15.056 5.359 1.00 0.00 H ATOM 646 HH21 ARG A 94 9.510 16.712 4.780 1.00 0.00 H ATOM 647 H ARG A 94 2.755 16.517 2.470 1.00 0.00 H ATOM 648 N THR A 95 1.123 13.685 5.454 1.00 20.91 N ATOM 649 CA THR A 95 -0.116 13.352 6.128 1.00 18.88 C ATOM 650 C THR A 95 -0.090 13.786 7.595 1.00 25.14 C ATOM 651 O THR A 95 0.937 14.237 8.105 1.00 26.65 O ATOM 652 CB THR A 95 -0.392 11.843 6.082 1.00 21.27 C ATOM 653 OG1 THR A 95 0.573 11.165 6.889 1.00 21.58 O ATOM 654 CG2 THR A 95 -0.298 11.313 4.671 1.00 20.95 C ATOM 655 HG1 THR A 95 0.398 10.191 6.862 1.00 0.00 H ATOM 656 H THR A 95 1.968 13.108 5.640 1.00 0.00 H ATOM 657 N ASP A 96 -1.239 13.635 8.252 1.00 29.18 N ATOM 658 CA ASP A 96 -1.379 13.707 9.708 1.00 33.45 C ATOM 659 C ASP A 96 -0.257 13.067 10.474 1.00 27.18 C ATOM 660 O ASP A 96 0.415 13.707 11.269 1.00 28.04 O ATOM 661 CB ASP A 96 -2.651 12.989 10.166 1.00 35.96 C ATOM 662 CG ASP A 96 -3.879 13.596 9.626 1.00 33.12 C ATOM 663 OD1 ASP A 96 -3.832 14.792 9.271 1.00 38.84 O ATOM 664 OD2 ASP A 96 -4.893 12.873 9.570 1.00 34.74 O ATOM 665 H ASP A 96 -2.096 13.453 7.692 1.00 0.00 H ATOM 666 N ASN A 97 -0.130 11.760 10.271 1.00 25.71 N ATOM 667 CA ASN A 97 0.785 10.943 11.047 1.00 30.50 C ATOM 668 C ASN A 97 2.215 11.064 10.546 1.00 25.20 C ATOM 669 O ASN A 97 3.015 10.166 10.720 1.00 30.48 O ATOM 670 CB ASN A 97 0.338 9.477 11.035 1.00 28.38 C ATOM 671 CG ASN A 97 0.180 8.916 9.623 1.00 35.76 C ATOM 672 OD1 ASN A 97 -0.214 9.622 8.695 1.00 31.75 O ATOM 673 ND2 ASN A 97 0.509 7.636 9.457 1.00 42.84 N ATOM 674 HD22 ASN A 97 0.838 7.074 10.268 1.00 0.00 H ATOM 675 HD21 ASN A 97 0.437 7.198 8.516 1.00 0.00 H ATOM 676 H ASN A 97 -0.705 11.308 9.532 1.00 0.00 H ATOM 677 N GLY A 98 2.534 12.187 9.927 1.00 26.02 N ATOM 678 CA GLY A 98 3.866 12.384 9.391 1.00 33.64 C ATOM 679 C GLY A 98 4.257 11.379 8.314 1.00 28.19 C ATOM 680 O GLY A 98 5.438 11.146 8.071 1.00 30.46 O ATOM 681 H GLY A 98 1.822 12.938 9.823 1.00 0.00 H ATOM 682 N GLY A 99 3.262 10.780 7.675 1.00 22.94 N ATOM 683 CA GLY A 99 3.499 9.973 6.497 1.00 22.44 C ATOM 684 C GLY A 99 3.329 10.790 5.223 1.00 25.41 C ATOM 685 O GLY A 99 3.419 12.034 5.228 1.00 22.03 O ATOM 686 H GLY A 99 2.290 10.892 8.028 1.00 0.00 H ATOM 687 N TRP A 100 3.074 10.075 4.131 1.00 24.01 N ATOM 688 CA TRP A 100 2.930 10.656 2.807 1.00 20.57 C ATOM 689 C TRP A 100 1.707 10.107 2.102 1.00 24.40 C ATOM 690 O TRP A 100 1.337 8.945 2.301 1.00 25.79 O ATOM 691 CB TRP A 100 4.154 10.358 1.957 1.00 21.94 C ATOM 692 CG TRP A 100 5.384 11.010 2.421 1.00 24.20 C ATOM 693 CD1 TRP A 100 6.338 10.479 3.220 1.00 22.75 C ATOM 694 CD2 TRP A 100 5.806 12.339 2.112 1.00 26.81 C ATOM 695 NE1 TRP A 100 7.338 11.389 3.433 1.00 29.09 N ATOM 696 CE2 TRP A 100 7.035 12.545 2.762 1.00 25.74 C ATOM 697 CE3 TRP A 100 5.268 13.375 1.345 1.00 21.69 C ATOM 698 CZ2 TRP A 100 7.733 13.734 2.670 1.00 26.39 C ATOM 699 CZ3 TRP A 100 5.957 14.553 1.261 1.00 27.07 C ATOM 700 CH2 TRP A 100 7.181 14.727 1.918 1.00 28.69 C ATOM 701 HE1 TRP A 100 8.189 11.229 4.010 1.00 0.00 H ATOM 702 H TRP A 100 2.972 9.045 4.230 1.00 0.00 H ATOM 703 N ALA A 101 1.099 10.917 1.242 1.00 20.34 N ATOM 704 CA ALA A 101 -0.015 10.417 0.451 1.00 20.91 C ATOM 705 C ALA A 101 -0.180 11.158 -0.865 1.00 20.33 C ATOM 706 O ALA A 101 0.069 12.356 -0.946 1.00 15.55 O ATOM 707 CB ALA A 101 -1.293 10.489 1.249 1.00 18.74 C ATOM 708 H ALA A 101 1.417 11.901 1.135 1.00 0.00 H ATOM 709 N HIS A 102 -0.582 10.420 -1.902 1.00 24.03 N ATOM 710 CA HIS A 102 -0.964 11.034 -3.171 1.00 18.64 C ATOM 711 C HIS A 102 -2.083 12.057 -2.973 1.00 19.66 C ATOM 712 O HIS A 102 -3.038 11.828 -2.216 1.00 17.32 O ATOM 713 CB HIS A 102 -1.423 9.983 -4.180 1.00 17.01 C ATOM 714 CG HIS A 102 -0.301 9.172 -4.761 1.00 21.81 C ATOM 715 ND1 HIS A 102 -0.172 7.827 -4.539 1.00 16.63 N ATOM 716 CD2 HIS A 102 0.746 9.544 -5.533 1.00 21.59 C ATOM 717 CE1 HIS A 102 0.920 7.386 -5.152 1.00 20.00 C ATOM 718 NE2 HIS A 102 1.486 8.408 -5.761 1.00 26.88 N ATOM 719 H HIS A 102 -0.624 9.385 -1.804 1.00 0.00 H ATOM 720 N VAL A 103 -1.951 13.190 -3.653 1.00 16.61 N ATOM 721 CA VAL A 103 -3.053 14.107 -3.817 1.00 15.45 C ATOM 722 C VAL A 103 -4.271 13.414 -4.448 1.00 17.19 C ATOM 723 O VAL A 103 -5.386 13.574 -3.956 1.00 16.97 O ATOM 724 CB VAL A 103 -2.636 15.300 -4.673 1.00 18.51 C ATOM 725 CG1 VAL A 103 -3.846 16.095 -5.106 1.00 19.59 C ATOM 726 CG2 VAL A 103 -1.670 16.164 -3.897 1.00 20.33 C ATOM 727 H VAL A 103 -1.031 13.422 -4.078 1.00 0.00 H ATOM 728 N VAL A 104 -4.067 12.642 -5.518 1.00 16.80 N ATOM 729 CA VAL A 104 -5.199 12.019 -6.204 1.00 17.43 C ATOM 730 C VAL A 104 -5.874 10.948 -5.319 1.00 16.74 C ATOM 731 O VAL A 104 -7.103 10.799 -5.327 1.00 18.74 O ATOM 732 CB VAL A 104 -4.780 11.413 -7.595 1.00 22.72 C ATOM 733 CG1 VAL A 104 -3.750 10.265 -7.469 1.00 19.99 C ATOM 734 CG2 VAL A 104 -6.007 10.955 -8.372 1.00 16.82 C ATOM 735 H VAL A 104 -3.100 12.483 -5.865 1.00 0.00 H ATOM 736 N CYS A 105 -5.090 10.232 -4.530 1.00 12.30 N ATOM 737 CA CYS A 105 -5.694 9.318 -3.573 1.00 16.37 C ATOM 738 C CYS A 105 -6.584 10.074 -2.576 1.00 16.59 C ATOM 739 O CYS A 105 -7.700 9.639 -2.276 1.00 16.58 O ATOM 740 CB CYS A 105 -4.626 8.511 -2.824 1.00 17.17 C ATOM 741 SG CYS A 105 -3.949 7.096 -3.741 1.00 15.75 S ATOM 742 H CYS A 105 -4.056 10.321 -4.593 1.00 0.00 H ATOM 743 N ALA A 106 -6.088 11.212 -2.085 1.00 15.81 N ATOM 744 CA ALA A 106 -6.834 12.057 -1.148 1.00 15.75 C ATOM 745 C ALA A 106 -8.139 12.597 -1.747 1.00 15.22 C ATOM 746 O ALA A 106 -9.152 12.665 -1.075 1.00 14.18 O ATOM 747 CB ALA A 106 -5.970 13.191 -0.685 1.00 13.69 C ATOM 748 H ALA A 106 -5.136 11.510 -2.379 1.00 0.00 H ATOM 749 N LEU A 107 -8.108 12.972 -3.019 1.00 14.63 N ATOM 750 CA LEU A 107 -9.313 13.441 -3.689 1.00 18.14 C ATOM 751 C LEU A 107 -10.387 12.356 -3.830 1.00 18.05 C ATOM 752 O LEU A 107 -11.538 12.565 -3.460 1.00 20.70 O ATOM 753 CB LEU A 107 -8.966 14.010 -5.075 1.00 17.88 C ATOM 754 CG LEU A 107 -8.175 15.322 -5.071 1.00 19.62 C ATOM 755 CD1 LEU A 107 -7.844 15.829 -6.471 1.00 20.25 C ATOM 756 CD2 LEU A 107 -8.942 16.381 -4.300 1.00 20.27 C ATOM 757 H LEU A 107 -7.212 12.931 -3.545 1.00 0.00 H ATOM 758 N TYR A 108 -10.012 11.195 -4.349 1.00 21.61 N ATOM 759 CA TYR A 108 -11.002 10.188 -4.736 1.00 19.80 C ATOM 760 C TYR A 108 -11.415 9.218 -3.628 1.00 21.66 C ATOM 761 O TYR A 108 -12.384 8.465 -3.792 1.00 21.16 O ATOM 762 CB TYR A 108 -10.479 9.417 -5.943 1.00 18.80 C ATOM 763 CG TYR A 108 -10.513 10.253 -7.197 1.00 25.14 C ATOM 764 CD1 TYR A 108 -11.607 10.198 -8.054 1.00 24.12 C ATOM 765 CD2 TYR A 108 -9.472 11.123 -7.512 1.00 20.08 C ATOM 766 CE1 TYR A 108 -11.656 10.963 -9.197 1.00 24.36 C ATOM 767 CE2 TYR A 108 -9.514 11.885 -8.653 1.00 21.87 C ATOM 768 CZ TYR A 108 -10.612 11.804 -9.493 1.00 23.16 C ATOM 769 OH TYR A 108 -10.670 12.570 -10.631 1.00 25.85 O ATOM 770 HH TYR A 108 -11.518 12.387 -11.108 1.00 0.00 H ATOM 771 H TYR A 108 -9.000 10.997 -4.483 1.00 0.00 H ATOM 772 N ILE A 109 -10.703 9.226 -2.505 1.00 19.92 N ATOM 773 CA ILE A 109 -11.216 8.541 -1.315 1.00 22.42 C ATOM 774 C ILE A 109 -12.023 9.528 -0.490 1.00 21.54 C ATOM 775 O ILE A 109 -11.468 10.493 0.037 1.00 22.10 O ATOM 776 CB ILE A 109 -10.113 7.963 -0.438 1.00 21.04 C ATOM 777 CG1 ILE A 109 -9.301 6.930 -1.207 1.00 20.76 C ATOM 778 CG2 ILE A 109 -10.720 7.365 0.844 1.00 22.69 C ATOM 779 CD1 ILE A 109 -8.112 6.451 -0.444 1.00 23.11 C ATOM 780 H ILE A 109 -9.786 9.716 -2.471 1.00 0.00 H ATOM 781 N PRO A 110 -13.335 9.289 -0.373 1.00 23.14 N ATOM 782 CA PRO A 110 -14.285 10.299 0.115 1.00 20.45 C ATOM 783 C PRO A 110 -13.925 10.887 1.479 1.00 20.33 C ATOM 784 O PRO A 110 -13.977 12.104 1.668 1.00 21.87 O ATOM 785 CB PRO A 110 -15.599 9.522 0.193 1.00 21.87 C ATOM 786 CG PRO A 110 -15.435 8.410 -0.798 1.00 19.92 C ATOM 787 CD PRO A 110 -13.998 8.011 -0.680 1.00 21.78 C ATOM 788 N GLU A 111 -13.527 10.033 2.408 1.00 20.66 N ATOM 789 CA GLU A 111 -13.326 10.464 3.784 1.00 19.29 C ATOM 790 C GLU A 111 -11.985 11.145 4.031 1.00 19.68 C ATOM 791 O GLU A 111 -11.803 11.760 5.080 1.00 22.94 O ATOM 792 CB GLU A 111 -13.482 9.266 4.727 1.00 23.12 C ATOM 793 CG GLU A 111 -14.838 8.572 4.603 1.00 26.91 C ATOM 794 CD GLU A 111 -14.884 7.551 3.464 1.00 31.62 C ATOM 795 OE1 GLU A 111 -13.823 7.249 2.872 1.00 31.87 O ATOM 796 OE2 GLU A 111 -15.985 7.060 3.151 1.00 33.76 O ATOM 797 H GLU A 111 -13.355 9.040 2.152 1.00 0.00 H ATOM 798 N VAL A 112 -11.045 11.039 3.090 1.00 19.78 N ATOM 799 CA VAL A 112 -9.788 11.779 3.210 1.00 18.78 C ATOM 800 C VAL A 112 -10.060 13.266 3.111 1.00 16.01 C ATOM 801 O VAL A 112 -10.835 13.692 2.263 1.00 17.69 O ATOM 802 CB VAL A 112 -8.773 11.403 2.134 1.00 17.83 C ATOM 803 CG1 VAL A 112 -7.468 12.093 2.408 1.00 12.51 C ATOM 804 CG2 VAL A 112 -8.568 9.920 2.107 1.00 17.79 C ATOM 805 H VAL A 112 -11.207 10.426 2.265 1.00 0.00 H ATOM 806 N GLN A 113 -9.431 14.045 3.985 1.00 17.30 N ATOM 807 CA GLN A 113 -9.612 15.498 4.012 1.00 21.42 C ATOM 808 C GLN A 113 -8.289 16.250 3.819 1.00 21.97 C ATOM 809 O GLN A 113 -7.204 15.661 3.875 1.00 20.35 O ATOM 810 CB GLN A 113 -10.271 15.941 5.327 1.00 20.50 C ATOM 811 CG GLN A 113 -11.655 15.350 5.579 1.00 25.06 C ATOM 812 CD GLN A 113 -12.181 15.656 6.982 1.00 34.57 C ATOM 813 OE1 GLN A 113 -12.457 16.807 7.323 1.00 32.03 O ATOM 814 NE2 GLN A 113 -12.293 14.618 7.811 1.00 39.83 N ATOM 815 HE22 GLN A 113 -12.049 13.662 7.483 1.00 0.00 H ATOM 816 HE21 GLN A 113 -12.624 14.765 8.786 1.00 0.00 H ATOM 817 H GLN A 113 -8.787 13.607 4.674 1.00 0.00 H ATOM 818 N PHE A 114 -8.391 17.553 3.571 1.00 18.66 N ATOM 819 CA PHE A 114 -7.223 18.425 3.570 1.00 20.95 C ATOM 820 C PHE A 114 -7.386 19.473 4.670 1.00 24.54 C ATOM 821 O PHE A 114 -8.473 20.036 4.835 1.00 27.13 O ATOM 822 CB PHE A 114 -7.039 19.121 2.220 1.00 22.85 C ATOM 823 CG PHE A 114 -6.751 18.193 1.069 1.00 20.42 C ATOM 824 CD1 PHE A 114 -7.776 17.692 0.289 1.00 13.84 C ATOM 825 CD2 PHE A 114 -5.445 17.854 0.750 1.00 21.58 C ATOM 826 CE1 PHE A 114 -7.503 16.867 -0.781 1.00 19.52 C ATOM 827 CE2 PHE A 114 -5.166 17.034 -0.323 1.00 17.13 C ATOM 828 CZ PHE A 114 -6.194 16.539 -1.090 1.00 18.47 C ATOM 829 H PHE A 114 -9.327 17.960 3.373 1.00 0.00 H ATOM 830 N ALA A 115 -6.317 19.738 5.418 1.00 21.17 N ATOM 831 CA ALA A 115 -6.396 20.655 6.542 1.00 17.77 C ATOM 832 C ALA A 115 -6.568 22.065 6.035 1.00 25.33 C ATOM 833 O ALA A 115 -7.266 22.882 6.630 1.00 24.34 O ATOM 834 CB ALA A 115 -5.169 20.550 7.393 1.00 19.17 C ATOM 835 H ALA A 115 -5.410 19.281 5.194 1.00 0.00 H ATOM 836 N ASN A 116 -5.896 22.338 4.927 1.00 22.66 N ATOM 837 CA ASN A 116 -5.947 23.632 4.293 1.00 20.64 C ATOM 838 C ASN A 116 -6.198 23.396 2.825 1.00 22.12 C ATOM 839 O ASN A 116 -5.326 22.898 2.124 1.00 25.33 O ATOM 840 CB ASN A 116 -4.648 24.410 4.534 1.00 21.29 C ATOM 841 CG ASN A 116 -4.698 25.833 3.987 1.00 21.65 C ATOM 842 OD1 ASN A 116 -5.157 26.070 2.872 1.00 21.52 O ATOM 843 ND2 ASN A 116 -4.222 26.784 4.777 1.00 22.17 N ATOM 844 HD22 ASN A 116 -3.842 26.540 5.714 1.00 0.00 H ATOM 845 HD21 ASN A 116 -4.228 27.775 4.460 1.00 0.00 H ATOM 846 H ASN A 116 -5.311 21.593 4.499 1.00 0.00 H ATOM 847 N VAL A 117 -7.381 23.749 2.343 1.00 23.94 N ATOM 848 CA VAL A 117 -7.698 23.473 0.945 1.00 23.75 C ATOM 849 C VAL A 117 -6.898 24.370 -0.018 1.00 25.79 C ATOM 850 O VAL A 117 -6.648 23.987 -1.167 1.00 27.27 O ATOM 851 CB VAL A 117 -9.224 23.613 0.664 1.00 21.61 C ATOM 852 CG1 VAL A 117 -10.006 22.509 1.387 1.00 18.95 C ATOM 853 CG2 VAL A 117 -9.743 24.991 1.041 1.00 16.53 C ATOM 854 H VAL A 117 -8.078 24.219 2.956 1.00 0.00 H ATOM 855 N SER A 118 -6.479 25.546 0.440 1.00 22.02 N ATOM 856 CA SER A 118 -5.655 26.406 -0.414 1.00 29.72 C ATOM 857 C SER A 118 -4.299 25.800 -0.704 1.00 23.20 C ATOM 858 O SER A 118 -3.913 25.711 -1.858 1.00 25.06 O ATOM 859 CB SER A 118 -5.461 27.798 0.198 1.00 24.74 C ATOM 860 OG SER A 118 -6.628 28.571 0.038 1.00 27.34 O ATOM 861 HG SER A 118 -6.487 29.466 0.438 1.00 0.00 H ATOM 862 H SER A 118 -6.735 25.854 1.400 1.00 0.00 H ATOM 863 N THR A 119 -3.573 25.417 0.340 1.00 21.62 N ATOM 864 CA THR A 119 -2.247 24.838 0.178 1.00 21.40 C ATOM 865 C THR A 119 -2.315 23.321 -0.020 1.00 22.53 C ATOM 866 O THR A 119 -1.327 22.699 -0.417 1.00 21.64 O ATOM 867 CB THR A 119 -1.342 25.161 1.391 1.00 21.55 C ATOM 868 OG1 THR A 119 -1.945 24.668 2.596 1.00 20.70 O ATOM 869 CG2 THR A 119 -1.156 26.643 1.529 1.00 20.77 C ATOM 870 HG1 THR A 119 -2.827 25.099 2.722 1.00 0.00 H ATOM 871 H THR A 119 -3.962 25.534 1.298 1.00 0.00 H ATOM 872 N MET A 120 -3.488 22.748 0.252 1.00 21.53 N ATOM 873 CA MET A 120 -3.759 21.317 0.047 1.00 22.73 C ATOM 874 C MET A 120 -2.814 20.436 0.834 1.00 21.11 C ATOM 875 O MET A 120 -2.409 19.388 0.364 1.00 22.32 O ATOM 876 CB MET A 120 -3.687 20.946 -1.440 1.00 21.24 C ATOM 877 CG MET A 120 -4.736 21.643 -2.295 1.00 22.58 C ATOM 878 SD MET A 120 -4.851 21.075 -4.011 1.00 22.60 S ATOM 879 CE MET A 120 -5.245 19.339 -3.792 1.00 19.58 C ATOM 880 H MET A 120 -4.252 23.345 0.629 1.00 0.00 H ATOM 881 N GLU A 121 -2.468 20.868 2.039 1.00 25.37 N ATOM 882 CA GLU A 121 -1.613 20.090 2.938 1.00 23.47 C ATOM 883 C GLU A 121 -1.872 20.487 4.384 1.00 21.81 C ATOM 884 O GLU A 121 -2.379 21.565 4.632 1.00 22.28 O ATOM 885 CB GLU A 121 -0.144 20.296 2.575 1.00 25.69 C ATOM 886 CG GLU A 121 0.359 21.735 2.695 1.00 24.33 C ATOM 887 CD GLU A 121 1.757 21.902 2.106 1.00 29.32 C ATOM 888 OE1 GLU A 121 2.099 21.194 1.127 1.00 30.58 O ATOM 889 OE2 GLU A 121 2.526 22.734 2.625 1.00 31.70 O ATOM 890 H GLU A 121 -2.817 21.794 2.358 1.00 0.00 H ATOM 891 N PRO A 122 -1.609 19.585 5.343 1.00 23.75 N ATOM 892 CA PRO A 122 -1.326 18.166 5.115 1.00 21.19 C ATOM 893 C PRO A 122 -2.585 17.403 4.750 1.00 20.86 C ATOM 894 O PRO A 122 -3.696 17.919 4.852 1.00 23.33 O ATOM 895 CB PRO A 122 -0.773 17.691 6.460 1.00 20.36 C ATOM 896 CG PRO A 122 -1.397 18.601 7.459 1.00 22.47 C ATOM 897 CD PRO A 122 -1.579 19.934 6.776 1.00 18.54 C ATOM 898 N ILE A 123 -2.400 16.172 4.302 1.00 19.48 N ATOM 899 CA ILE A 123 -3.520 15.317 4.009 1.00 19.40 C ATOM 900 C ILE A 123 -3.959 14.662 5.300 1.00 23.65 C ATOM 901 O ILE A 123 -3.148 14.106 6.037 1.00 21.72 O ATOM 902 CB ILE A 123 -3.159 14.298 2.946 1.00 22.90 C ATOM 903 CG1 ILE A 123 -3.126 15.003 1.586 1.00 18.48 C ATOM 904 CG2 ILE A 123 -4.133 13.110 2.962 1.00 16.60 C ATOM 905 CD1 ILE A 123 -2.609 14.143 0.457 1.00 13.35 C ATOM 906 H ILE A 123 -1.433 15.818 4.160 1.00 0.00 H ATOM 907 N VAL A 124 -5.250 14.781 5.585 1.00 25.69 N ATOM 908 CA VAL A 124 -5.811 14.301 6.841 1.00 25.08 C ATOM 909 C VAL A 124 -6.446 12.908 6.700 1.00 23.48 C ATOM 910 O VAL A 124 -7.509 12.748 6.107 1.00 21.41 O ATOM 911 CB VAL A 124 -6.852 15.309 7.400 1.00 23.11 C ATOM 912 CG1 VAL A 124 -7.546 14.756 8.622 1.00 20.83 C ATOM 913 CG2 VAL A 124 -6.170 16.619 7.746 1.00 21.70 C ATOM 914 H VAL A 124 -5.880 15.231 4.891 1.00 0.00 H ATOM 915 N LEU A 125 -5.804 11.900 7.277 1.00 27.86 N ATOM 916 CA LEU A 125 -6.328 10.532 7.172 1.00 31.32 C ATOM 917 C LEU A 125 -7.290 10.140 8.271 1.00 28.15 C ATOM 918 O LEU A 125 -8.066 9.208 8.098 1.00 37.18 O ATOM 919 CB LEU A 125 -5.189 9.506 7.156 1.00 20.40 C ATOM 920 CG LEU A 125 -4.294 9.634 5.944 1.00 24.81 C ATOM 921 CD1 LEU A 125 -3.229 8.573 5.981 1.00 19.24 C ATOM 922 CD2 LEU A 125 -5.157 9.552 4.698 1.00 20.90 C ATOM 923 H LEU A 125 -4.926 12.079 7.806 1.00 0.00 H ATOM 924 N GLN A 126 -7.241 10.838 9.396 1.00 31.67 N ATOM 925 CA GLN A 126 -7.773 10.294 10.644 1.00 29.97 C ATOM 926 C GLN A 126 -9.268 9.934 10.597 1.00 30.29 C ATOM 927 O GLN A 126 -9.730 9.126 11.397 1.00 32.64 O ATOM 928 CB GLN A 126 -7.507 11.280 11.779 1.00 31.40 C ATOM 929 CG GLN A 126 -8.488 12.421 11.817 1.00 36.83 C ATOM 930 CD GLN A 126 -8.136 13.453 12.867 1.00 41.41 C ATOM 931 OE1 GLN A 126 -6.963 13.820 13.030 1.00 41.45 O ATOM 932 NE2 GLN A 126 -9.146 13.916 13.601 1.00 34.69 N ATOM 933 HE22 GLN A 126 -10.114 13.577 13.426 1.00 0.00 H ATOM 934 HE21 GLN A 126 -8.967 14.616 14.349 1.00 0.00 H ATOM 935 H GLN A 126 -6.817 11.788 9.391 1.00 0.00 H ATOM 936 N SER A 127 -10.020 10.501 9.657 1.00 28.29 N ATOM 937 CA SER A 127 -11.433 10.140 9.521 1.00 30.01 C ATOM 938 C SER A 127 -11.685 9.024 8.511 1.00 28.20 C ATOM 939 O SER A 127 -12.834 8.739 8.187 1.00 27.79 O ATOM 940 CB SER A 127 -12.269 11.360 9.137 1.00 29.68 C ATOM 941 OG SER A 127 -12.290 12.305 10.196 1.00 40.06 O ATOM 942 HG SER A 127 -12.836 13.087 9.928 1.00 0.00 H ATOM 943 H SER A 127 -9.602 11.205 9.015 1.00 0.00 H ATOM 944 N VAL A 128 -10.629 8.381 8.022 1.00 24.27 N ATOM 945 CA VAL A 128 -10.813 7.267 7.095 1.00 29.75 C ATOM 946 C VAL A 128 -11.245 6.004 7.860 1.00 27.40 C ATOM 947 O VAL A 128 -10.532 5.530 8.741 1.00 30.13 O ATOM 948 CB VAL A 128 -9.527 6.991 6.261 1.00 26.86 C ATOM 949 CG1 VAL A 128 -9.674 5.732 5.416 1.00 20.44 C ATOM 950 CG2 VAL A 128 -9.245 8.162 5.369 1.00 25.21 C ATOM 951 H VAL A 128 -9.670 8.672 8.300 1.00 0.00 H ATOM 952 N PRO A 129 -12.428 5.464 7.524 1.00 26.98 N ATOM 953 CA PRO A 129 -13.004 4.296 8.203 1.00 29.01 C ATOM 954 C PRO A 129 -12.160 3.044 8.032 1.00 28.11 C ATOM 955 O PRO A 129 -11.476 2.882 7.024 1.00 25.15 O ATOM 956 CB PRO A 129 -14.362 4.116 7.507 1.00 26.15 C ATOM 957 CG PRO A 129 -14.655 5.439 6.855 1.00 22.65 C ATOM 958 CD PRO A 129 -13.318 5.983 6.471 1.00 27.01 C ATOM 959 N HIS A 130 -12.237 2.155 9.009 1.00 30.61 N ATOM 960 CA HIS A 130 -11.573 0.860 8.939 1.00 30.77 C ATOM 961 C HIS A 130 -11.963 0.096 7.674 1.00 27.71 C ATOM 962 O HIS A 130 -11.140 -0.585 7.074 1.00 28.98 O ATOM 963 CB HIS A 130 -11.905 0.025 10.182 1.00 31.27 C ATOM 964 H HIS A 130 -12.791 2.389 9.857 1.00 0.00 H ATOM 965 N ASP A 131 -13.213 0.228 7.252 1.00 31.17 N ATOM 966 CA ASP A 131 -13.678 -0.457 6.042 1.00 36.23 C ATOM 967 C ASP A 131 -12.944 -0.083 4.727 1.00 34.37 C ATOM 968 O ASP A 131 -13.136 -0.749 3.711 1.00 35.32 O ATOM 969 CB ASP A 131 -15.183 -0.218 5.873 1.00 39.84 C ATOM 970 CG ASP A 131 -16.022 -1.004 6.892 1.00 56.63 C ATOM 971 OD1 ASP A 131 -15.503 -1.983 7.487 1.00 54.79 O ATOM 972 OD2 ASP A 131 -17.204 -0.646 7.100 1.00 57.77 O ATOM 973 H ASP A 131 -13.874 0.827 7.787 1.00 0.00 H ATOM 974 N ARG A 132 -12.119 0.962 4.728 1.00 24.15 N ATOM 975 CA ARG A 132 -11.384 1.305 3.522 1.00 22.36 C ATOM 976 C ARG A 132 -10.031 0.619 3.504 1.00 25.30 C ATOM 977 O ARG A 132 -9.373 0.553 2.476 1.00 22.80 O ATOM 978 CB ARG A 132 -11.212 2.817 3.395 1.00 22.08 C ATOM 979 CG ARG A 132 -12.514 3.529 3.210 1.00 19.37 C ATOM 980 CD ARG A 132 -12.589 4.206 1.869 1.00 25.36 C ATOM 981 NE ARG A 132 -13.906 4.793 1.678 1.00 26.05 N ATOM 982 CZ ARG A 132 -14.805 4.314 0.835 1.00 22.55 C ATOM 983 NH1 ARG A 132 -14.489 3.283 0.060 1.00 24.53 N ATOM 984 NH2 ARG A 132 -15.995 4.889 0.738 1.00 21.69 N ATOM 985 HE ARG A 132 -14.154 5.636 2.235 1.00 0.00 H ATOM 986 HH12 ARG A 132 -15.189 2.899 -0.606 1.00 0.00 H ATOM 987 HH11 ARG A 132 -13.541 2.859 0.119 1.00 0.00 H ATOM 988 HH22 ARG A 132 -16.702 4.512 0.075 1.00 0.00 H ATOM 989 HH21 ARG A 132 -16.222 5.717 1.325 1.00 0.00 H ATOM 990 H ARG A 132 -12.001 1.532 5.590 1.00 0.00 H ATOM 991 N TYR A 133 -9.619 0.096 4.648 1.00 27.51 N ATOM 992 CA TYR A 133 -8.329 -0.567 4.741 1.00 26.06 C ATOM 993 C TYR A 133 -8.469 -2.092 4.701 1.00 30.21 C ATOM 994 O TYR A 133 -7.462 -2.803 4.602 1.00 28.99 O ATOM 995 CB TYR A 133 -7.614 -0.141 6.024 1.00 29.82 C ATOM 996 CG TYR A 133 -7.202 1.324 6.082 1.00 25.78 C ATOM 997 CD1 TYR A 133 -6.133 1.794 5.332 1.00 28.62 C ATOM 998 CD2 TYR A 133 -7.872 2.227 6.902 1.00 24.59 C ATOM 999 CE1 TYR A 133 -5.747 3.134 5.383 1.00 28.44 C ATOM 1000 CE2 TYR A 133 -7.496 3.549 6.974 1.00 23.51 C ATOM 1001 CZ TYR A 133 -6.430 4.007 6.209 1.00 32.79 C ATOM 1002 OH TYR A 133 -6.043 5.335 6.270 1.00 27.47 O ATOM 1003 HH TYR A 133 -5.274 5.482 5.664 1.00 0.00 H ATOM 1004 H TYR A 133 -10.226 0.160 5.490 1.00 0.00 H ATOM 1005 N ASN A 134 -9.702 -2.599 4.771 1.00 24.86 N ATOM 1006 CA ASN A 134 -9.904 -4.046 4.712 1.00 26.30 C ATOM 1007 C ASN A 134 -10.469 -4.539 3.376 1.00 27.75 C ATOM 1008 O ASN A 134 -11.351 -5.392 3.348 1.00 28.52 O ATOM 1009 CB ASN A 134 -10.821 -4.522 5.846 1.00 25.80 C ATOM 1010 CG ASN A 134 -12.225 -3.909 5.791 1.00 36.03 C ATOM 1011 OD1 ASN A 134 -12.635 -3.319 4.788 1.00 38.35 O ATOM 1012 ND2 ASN A 134 -12.975 -4.067 6.883 1.00 41.61 N ATOM 1013 HD22 ASN A 134 -12.592 -4.571 7.708 1.00 0.00 H ATOM 1014 HD21 ASN A 134 -13.942 -3.686 6.909 1.00 0.00 H ATOM 1015 H ASN A 134 -10.520 -1.964 4.868 1.00 0.00 H ATOM 1016 N LYS A 135 -9.973 -3.995 2.273 1.00 23.74 N ATOM 1017 CA LYS A 135 -10.474 -4.371 0.968 1.00 21.13 C ATOM 1018 C LYS A 135 -9.288 -4.885 0.148 1.00 28.71 C ATOM 1019 O LYS A 135 -8.125 -4.720 0.536 1.00 26.91 O ATOM 1020 CB LYS A 135 -11.140 -3.184 0.268 1.00 21.16 C ATOM 1021 CG LYS A 135 -12.245 -2.454 1.039 1.00 29.04 C ATOM 1022 CD LYS A 135 -13.558 -3.219 1.084 1.00 38.13 C ATOM 1023 H LYS A 135 -9.213 -3.288 2.347 1.00 0.00 H ATOM 1024 N THR A 136 -9.582 -5.533 -0.971 1.00 24.31 N ATOM 1025 CA THR A 136 -8.539 -5.900 -1.903 1.00 25.27 C ATOM 1026 C THR A 136 -8.839 -5.266 -3.248 1.00 19.60 C ATOM 1027 O THR A 136 -9.954 -5.383 -3.759 1.00 18.55 O ATOM 1028 CB THR A 136 -8.409 -7.436 -2.072 1.00 28.53 C ATOM 1029 OG1 THR A 136 -9.643 -7.973 -2.538 1.00 27.32 O ATOM 1030 CG2 THR A 136 -8.071 -8.104 -0.760 1.00 23.01 C ATOM 1031 HG1 THR A 136 -9.871 -7.564 -3.410 1.00 0.00 H ATOM 1032 H THR A 136 -10.571 -5.779 -1.180 1.00 0.00 H ATOM 1033 N CYS A 137 -7.841 -4.597 -3.813 1.00 17.21 N ATOM 1034 CA CYS A 137 -7.954 -4.000 -5.149 1.00 19.35 C ATOM 1035 C CYS A 137 -8.095 -5.087 -6.210 1.00 20.23 C ATOM 1036 O CYS A 137 -7.216 -5.930 -6.361 1.00 20.60 O ATOM 1037 CB CYS A 137 -6.727 -3.128 -5.465 1.00 19.52 C ATOM 1038 SG CYS A 137 -6.684 -2.372 -7.107 1.00 12.70 S ATOM 1039 H CYS A 137 -6.948 -4.492 -3.291 1.00 0.00 H ATOM 1040 N TYR A 138 -9.200 -5.048 -6.948 1.00 18.48 N ATOM 1041 CA TYR A 138 -9.496 -6.051 -7.956 1.00 16.84 C ATOM 1042 C TYR A 138 -8.570 -5.937 -9.173 1.00 18.42 C ATOM 1043 O TYR A 138 -8.228 -6.939 -9.803 1.00 20.25 O ATOM 1044 CB TYR A 138 -10.976 -5.957 -8.374 1.00 16.53 C ATOM 1045 CG TYR A 138 -11.304 -5.026 -9.520 1.00 19.43 C ATOM 1046 CD1 TYR A 138 -11.342 -5.490 -10.836 1.00 20.06 C ATOM 1047 CD2 TYR A 138 -11.621 -3.692 -9.289 1.00 21.19 C ATOM 1048 CE1 TYR A 138 -11.651 -4.642 -11.889 1.00 21.75 C ATOM 1049 CE2 TYR A 138 -11.937 -2.830 -10.348 1.00 21.80 C ATOM 1050 CZ TYR A 138 -11.949 -3.309 -11.637 1.00 22.46 C ATOM 1051 OH TYR A 138 -12.264 -2.461 -12.671 1.00 21.23 O ATOM 1052 HH TYR A 138 -12.228 -2.958 -13.527 1.00 0.00 H ATOM 1053 H TYR A 138 -9.876 -4.272 -6.798 1.00 0.00 H ATOM 1054 N ILE A 139 -8.177 -4.715 -9.501 1.00 17.68 N ATOM 1055 CA ILE A 139 -7.230 -4.474 -10.570 1.00 19.71 C ATOM 1056 C ILE A 139 -5.870 -5.086 -10.232 1.00 20.74 C ATOM 1057 O ILE A 139 -5.257 -5.783 -11.047 1.00 19.45 O ATOM 1058 CB ILE A 139 -7.100 -2.986 -10.815 1.00 17.07 C ATOM 1059 CG1 ILE A 139 -8.422 -2.437 -11.346 1.00 19.27 C ATOM 1060 CG2 ILE A 139 -5.953 -2.678 -11.741 1.00 18.71 C ATOM 1061 CD1 ILE A 139 -8.421 -0.897 -11.535 1.00 19.83 C ATOM 1062 H ILE A 139 -8.560 -3.904 -8.975 1.00 0.00 H ATOM 1063 N CYS A 140 -5.404 -4.813 -9.024 1.00 18.80 N ATOM 1064 CA CYS A 140 -4.208 -5.454 -8.532 1.00 19.93 C ATOM 1065 C CYS A 140 -4.333 -6.971 -8.556 1.00 25.70 C ATOM 1066 O CYS A 140 -3.379 -7.667 -8.948 1.00 23.49 O ATOM 1067 CB CYS A 140 -3.898 -5.007 -7.108 1.00 20.18 C ATOM 1068 SG CYS A 140 -2.835 -3.593 -6.883 1.00 26.37 S ATOM 1069 H CYS A 140 -5.905 -4.129 -8.422 1.00 0.00 H ATOM 1070 N ASP A 141 -5.490 -7.479 -8.119 1.00 22.39 N ATOM 1071 CA ASP A 141 -5.668 -8.917 -7.954 1.00 22.99 C ATOM 1072 C ASP A 141 -5.768 -9.644 -9.306 1.00 22.81 C ATOM 1073 O ASP A 141 -5.197 -10.720 -9.466 1.00 24.70 O ATOM 1074 CB ASP A 141 -6.894 -9.213 -7.085 1.00 21.78 C ATOM 1075 CG ASP A 141 -6.898 -10.650 -6.558 1.00 44.59 C ATOM 1076 OD1 ASP A 141 -5.964 -11.026 -5.798 1.00 45.20 O ATOM 1077 OD2 ASP A 141 -7.823 -11.413 -6.916 1.00 48.58 O ATOM 1078 H ASP A 141 -6.277 -6.837 -7.893 1.00 0.00 H ATOM 1079 N GLU A 142 -6.457 -9.049 -10.277 1.00 20.93 N ATOM 1080 CA GLU A 142 -6.499 -9.609 -11.630 1.00 22.60 C ATOM 1081 C GLU A 142 -5.104 -9.609 -12.268 1.00 24.33 C ATOM 1082 O GLU A 142 -4.845 -10.361 -13.190 1.00 21.45 O ATOM 1083 CB GLU A 142 -7.505 -8.848 -12.508 1.00 20.40 C ATOM 1084 CG GLU A 142 -8.963 -9.201 -12.190 1.00 23.59 C ATOM 1085 CD GLU A 142 -9.992 -8.416 -12.992 1.00 27.44 C ATOM 1086 OE1 GLU A 142 -9.611 -7.625 -13.881 1.00 28.96 O ATOM 1087 OE2 GLU A 142 -11.202 -8.573 -12.708 1.00 30.21 O ATOM 1088 H GLU A 142 -6.975 -8.171 -10.071 1.00 0.00 H ATOM 1089 N GLN A 143 -4.201 -8.779 -11.757 1.00 26.90 N ATOM 1090 CA GLN A 143 -2.821 -8.779 -12.225 1.00 24.56 C ATOM 1091 C GLN A 143 -2.038 -9.824 -11.462 1.00 20.62 C ATOM 1092 O GLN A 143 -0.863 -10.058 -11.740 1.00 21.29 O ATOM 1093 CB GLN A 143 -2.178 -7.402 -12.052 1.00 20.58 C ATOM 1094 CG GLN A 143 -2.827 -6.330 -12.903 1.00 28.03 C ATOM 1095 CD GLN A 143 -2.319 -4.937 -12.593 1.00 29.02 C ATOM 1096 OE1 GLN A 143 -1.360 -4.782 -11.846 1.00 29.96 O ATOM 1097 NE2 GLN A 143 -2.957 -3.916 -13.170 1.00 25.25 N ATOM 1098 HE22 GLN A 143 -3.767 -4.096 -13.797 1.00 0.00 H ATOM 1099 HE21 GLN A 143 -2.644 -2.940 -12.992 1.00 0.00 H ATOM 1100 H GLN A 143 -4.485 -8.116 -11.008 1.00 0.00 H ATOM 1101 N GLY A 144 -2.699 -10.443 -10.487 1.00 21.55 N ATOM 1102 CA GLY A 144 -2.088 -11.489 -9.689 1.00 24.56 C ATOM 1103 C GLY A 144 -1.158 -10.973 -8.611 1.00 26.32 C ATOM 1104 O GLY A 144 -0.317 -11.714 -8.096 1.00 34.67 O ATOM 1105 H GLY A 144 -3.683 -10.169 -10.291 1.00 0.00 H ATOM 1106 N ARG A 145 -1.317 -9.704 -8.254 1.00 24.19 N ATOM 1107 CA ARG A 145 -0.501 -9.093 -7.213 1.00 23.96 C ATOM 1108 C ARG A 145 -1.222 -9.063 -5.878 1.00 22.80 C ATOM 1109 O ARG A 145 -1.820 -8.058 -5.527 1.00 24.14 O ATOM 1110 CB ARG A 145 -0.117 -7.683 -7.626 1.00 28.64 C ATOM 1111 CG ARG A 145 0.539 -7.596 -8.996 1.00 27.80 C ATOM 1112 CD ARG A 145 1.942 -8.180 -8.951 1.00 30.72 C ATOM 1113 NE ARG A 145 2.909 -7.230 -8.404 1.00 40.08 N ATOM 1114 CZ ARG A 145 3.583 -6.343 -9.131 1.00 47.26 C ATOM 1115 NH1 ARG A 145 3.409 -6.291 -10.444 1.00 46.86 N ATOM 1116 NH2 ARG A 145 4.436 -5.507 -8.545 1.00 55.28 N ATOM 1117 HE ARG A 145 3.081 -7.249 -7.379 1.00 0.00 H ATOM 1118 HH12 ARG A 145 3.936 -5.597 -11.011 1.00 0.00 H ATOM 1119 HH11 ARG A 145 2.745 -6.944 -10.907 1.00 0.00 H ATOM 1120 HH22 ARG A 145 4.961 -4.815 -9.116 1.00 0.00 H ATOM 1121 HH21 ARG A 145 4.578 -5.546 -7.515 1.00 0.00 H ATOM 1122 H ARG A 145 -2.043 -9.131 -8.730 1.00 0.00 H ATOM 1123 N GLU A 146 -1.162 -10.157 -5.127 1.00 27.89 N ATOM 1124 CA GLU A 146 -1.982 -10.286 -3.917 1.00 27.64 C ATOM 1125 C GLU A 146 -1.446 -9.483 -2.736 1.00 26.19 C ATOM 1126 O GLU A 146 -2.211 -9.124 -1.838 1.00 28.66 O ATOM 1127 CB GLU A 146 -2.121 -11.759 -3.506 1.00 27.16 C ATOM 1128 H GLU A 146 -0.525 -10.933 -5.400 1.00 0.00 H ATOM 1129 N SER A 147 -0.144 -9.215 -2.718 1.00 21.39 N ATOM 1130 CA SER A 147 0.408 -8.325 -1.702 1.00 25.77 C ATOM 1131 C SER A 147 0.031 -6.872 -1.971 1.00 26.78 C ATOM 1132 O SER A 147 -0.356 -6.130 -1.061 1.00 27.70 O ATOM 1133 CB SER A 147 1.921 -8.446 -1.638 1.00 23.30 C ATOM 1134 OG SER A 147 2.299 -9.796 -1.501 1.00 32.58 O ATOM 1135 HG SER A 147 3.286 -9.859 -1.461 1.00 0.00 H ATOM 1136 H SER A 147 0.483 -9.641 -3.430 1.00 0.00 H ATOM 1137 N LYS A 148 0.157 -6.459 -3.221 1.00 22.48 N ATOM 1138 CA LYS A 148 -0.161 -5.087 -3.571 1.00 27.48 C ATOM 1139 C LYS A 148 -1.660 -4.820 -3.387 1.00 24.18 C ATOM 1140 O LYS A 148 -2.058 -3.727 -2.980 1.00 23.30 O ATOM 1141 CB LYS A 148 0.286 -4.788 -5.003 1.00 29.19 C ATOM 1142 CG LYS A 148 1.795 -4.642 -5.153 1.00 29.48 C ATOM 1143 CD LYS A 148 2.149 -3.536 -6.156 1.00 40.67 C ATOM 1144 CE LYS A 148 1.775 -3.928 -7.581 1.00 44.57 C ATOM 1145 NZ LYS A 148 1.953 -2.814 -8.576 1.00 40.74 N ATOM 1146 HZ1 LYS A 148 1.351 -2.010 -8.306 1.00 0.00 H ATOM 1147 HZ2 LYS A 148 2.949 -2.515 -8.586 1.00 0.00 H ATOM 1148 HZ3 LYS A 148 1.681 -3.149 -9.522 1.00 0.00 H ATOM 1149 H LYS A 148 0.485 -7.119 -3.955 1.00 0.00 H ATOM 1150 N ALA A 149 -2.478 -5.836 -3.650 1.00 23.26 N ATOM 1151 CA ALA A 149 -3.930 -5.665 -3.656 1.00 25.60 C ATOM 1152 C ALA A 149 -4.497 -5.328 -2.275 1.00 28.08 C ATOM 1153 O ALA A 149 -5.589 -4.754 -2.162 1.00 24.57 O ATOM 1154 CB ALA A 149 -4.605 -6.926 -4.215 1.00 22.00 C ATOM 1155 H ALA A 149 -2.076 -6.773 -3.856 1.00 0.00 H ATOM 1156 N ALA A 150 -3.754 -5.684 -1.230 1.00 28.67 N ATOM 1157 CA ALA A 150 -4.234 -5.518 0.137 1.00 27.48 C ATOM 1158 C ALA A 150 -3.638 -4.270 0.768 1.00 26.12 C ATOM 1159 O ALA A 150 -4.042 -3.855 1.850 1.00 27.64 O ATOM 1160 CB ALA A 150 -3.900 -6.753 0.972 1.00 23.43 C ATOM 1161 H ALA A 150 -2.810 -6.090 -1.392 1.00 0.00 H ATOM 1162 N THR A 151 -2.666 -3.685 0.080 1.00 25.52 N ATOM 1163 CA THR A 151 -1.972 -2.491 0.554 1.00 25.61 C ATOM 1164 C THR A 151 -2.888 -1.282 0.516 1.00 23.69 C ATOM 1165 O THR A 151 -3.699 -1.158 -0.389 1.00 23.09 O ATOM 1166 CB THR A 151 -0.736 -2.207 -0.305 1.00 24.69 C ATOM 1167 OG1 THR A 151 0.115 -3.360 -0.297 1.00 29.69 O ATOM 1168 CG2 THR A 151 0.035 -1.023 0.234 1.00 29.83 C ATOM 1169 HG1 THR A 151 -0.378 -4.135 -0.667 1.00 0.00 H ATOM 1170 H THR A 151 -2.387 -4.094 -0.835 1.00 0.00 H ATOM 1171 N GLY A 152 -2.777 -0.412 1.509 1.00 21.41 N ATOM 1172 CA GLY A 152 -3.376 0.903 1.423 1.00 21.18 C ATOM 1173 C GLY A 152 -4.882 0.924 1.536 1.00 22.85 C ATOM 1174 O GLY A 152 -5.482 0.077 2.204 1.00 27.24 O ATOM 1175 H GLY A 152 -2.250 -0.678 2.365 1.00 0.00 H ATOM 1176 N ALA A 153 -5.496 1.904 0.885 1.00 19.77 N ATOM 1177 CA ALA A 153 -6.937 2.052 0.943 1.00 19.86 C ATOM 1178 C ALA A 153 -7.561 1.949 -0.433 1.00 20.70 C ATOM 1179 O ALA A 153 -6.964 2.327 -1.429 1.00 22.50 O ATOM 1180 CB ALA A 153 -7.298 3.357 1.572 1.00 18.45 C ATOM 1181 H ALA A 153 -4.935 2.576 0.324 1.00 0.00 H ATOM 1182 N CYS A 154 -8.781 1.442 -0.484 1.00 20.97 N ATOM 1183 CA CYS A 154 -9.493 1.335 -1.743 1.00 22.61 C ATOM 1184 C CYS A 154 -10.651 2.288 -1.788 1.00 20.02 C ATOM 1185 O CYS A 154 -11.247 2.592 -0.764 1.00 21.88 O ATOM 1186 CB CYS A 154 -10.006 -0.090 -1.971 1.00 22.90 C ATOM 1187 SG CYS A 154 -8.697 -1.247 -2.390 1.00 26.65 S ATOM 1188 H CYS A 154 -9.237 1.115 0.392 1.00 0.00 H ATOM 1189 N MET A 155 -10.968 2.759 -2.983 1.00 18.21 N ATOM 1190 CA MET A 155 -12.230 3.433 -3.184 1.00 22.42 C ATOM 1191 C MET A 155 -13.193 2.378 -3.672 1.00 19.83 C ATOM 1192 O MET A 155 -12.790 1.269 -3.970 1.00 21.31 O ATOM 1193 CB MET A 155 -12.104 4.605 -4.168 1.00 19.17 C ATOM 1194 CG MET A 155 -11.558 4.271 -5.519 1.00 21.09 C ATOM 1195 SD MET A 155 -11.363 5.745 -6.560 1.00 30.02 S ATOM 1196 CE MET A 155 -13.043 6.300 -6.831 1.00 20.79 C ATOM 1197 H MET A 155 -10.308 2.644 -3.779 1.00 0.00 H ATOM 1198 N THR A 156 -14.468 2.715 -3.721 1.00 20.10 N ATOM 1199 CA THR A 156 -15.493 1.787 -4.160 1.00 18.75 C ATOM 1200 C THR A 156 -16.166 2.296 -5.414 1.00 20.73 C ATOM 1201 O THR A 156 -16.428 3.491 -5.534 1.00 20.21 O ATOM 1202 CB THR A 156 -16.526 1.555 -3.036 1.00 21.87 C ATOM 1203 OG1 THR A 156 -15.892 0.824 -1.980 1.00 22.50 O ATOM 1204 CG2 THR A 156 -17.770 0.790 -3.520 1.00 19.35 C ATOM 1205 HG1 THR A 156 -15.570 -0.045 -2.329 1.00 0.00 H ATOM 1206 H THR A 156 -14.747 3.676 -3.436 1.00 0.00 H ATOM 1207 N CYS A 157 -16.401 1.388 -6.359 1.00 22.35 N ATOM 1208 CA CYS A 157 -17.152 1.700 -7.571 1.00 22.65 C ATOM 1209 C CYS A 157 -18.408 2.500 -7.245 1.00 25.74 C ATOM 1210 O CYS A 157 -19.169 2.157 -6.338 1.00 23.20 O ATOM 1211 CB CYS A 157 -17.528 0.415 -8.314 1.00 22.71 C ATOM 1212 SG CYS A 157 -18.597 0.669 -9.759 1.00 19.78 S ATOM 1213 H CYS A 157 -16.037 0.423 -6.229 1.00 0.00 H ATOM 1214 N ASN A 158 -18.621 3.562 -8.004 1.00 25.66 N ATOM 1215 CA ASN A 158 -19.669 4.509 -7.704 1.00 27.90 C ATOM 1216 C ASN A 158 -21.022 4.062 -8.247 1.00 25.32 C ATOM 1217 O ASN A 158 -22.045 4.682 -7.980 1.00 33.39 O ATOM 1218 CB ASN A 158 -19.295 5.880 -8.267 1.00 31.57 C ATOM 1219 CG ASN A 158 -20.068 7.016 -7.615 1.00 40.85 C ATOM 1220 OD1 ASN A 158 -20.260 7.034 -6.394 1.00 39.80 O ATOM 1221 ND2 ASN A 158 -20.530 7.965 -8.434 1.00 41.60 N ATOM 1222 HD22 ASN A 158 -20.343 7.907 -9.455 1.00 0.00 H ATOM 1223 HD21 ASN A 158 -21.077 8.762 -8.050 1.00 0.00 H ATOM 1224 H ASN A 158 -18.019 3.719 -8.837 1.00 0.00 H ATOM 1225 N LYS A 159 -21.031 2.982 -9.010 1.00 25.19 N ATOM 1226 CA LYS A 159 -22.290 2.383 -9.444 1.00 28.82 C ATOM 1227 C LYS A 159 -23.111 1.974 -8.229 1.00 30.50 C ATOM 1228 O LYS A 159 -22.576 1.404 -7.267 1.00 29.99 O ATOM 1229 CB LYS A 159 -22.037 1.171 -10.346 1.00 30.08 C ATOM 1230 CG LYS A 159 -23.293 0.397 -10.728 1.00 36.65 C ATOM 1231 CD LYS A 159 -24.133 1.150 -11.761 1.00 36.03 C ATOM 1232 CE LYS A 159 -25.471 0.456 -12.044 1.00 40.25 C ATOM 1233 NZ LYS A 159 -25.312 -0.940 -12.525 1.00 46.33 N ATOM 1234 HZ1 LYS A 159 -24.763 -0.941 -13.408 1.00 0.00 H ATOM 1235 HZ2 LYS A 159 -24.812 -1.499 -11.804 1.00 0.00 H ATOM 1236 HZ3 LYS A 159 -26.250 -1.355 -12.698 1.00 0.00 H ATOM 1237 H LYS A 159 -20.130 2.554 -9.305 1.00 0.00 H ATOM 1238 N HIS A 160 -24.405 2.276 -8.253 1.00 36.30 N ATOM 1239 CA HIS A 160 -25.273 1.851 -7.160 1.00 38.83 C ATOM 1240 C HIS A 160 -25.351 0.339 -7.143 1.00 35.52 C ATOM 1241 O HIS A 160 -25.736 -0.265 -8.145 1.00 36.06 O ATOM 1242 CB HIS A 160 -26.669 2.433 -7.299 1.00 37.12 C ATOM 1243 CG HIS A 160 -27.649 1.885 -6.310 1.00 55.26 C ATOM 1244 ND1 HIS A 160 -27.482 2.001 -4.942 1.00 61.90 N ATOM 1245 CD2 HIS A 160 -28.799 1.191 -6.487 1.00 58.02 C ATOM 1246 CE1 HIS A 160 -28.498 1.426 -4.325 1.00 60.02 C ATOM 1247 NE2 HIS A 160 -29.311 0.924 -5.239 1.00 67.94 N ATOM 1248 H HIS A 160 -24.799 2.815 -9.051 1.00 0.00 H ATOM 1249 N GLY A 161 -24.971 -0.271 -6.023 1.00 31.80 N ATOM 1250 CA GLY A 161 -25.099 -1.712 -5.875 1.00 38.17 C ATOM 1251 C GLY A 161 -23.799 -2.486 -6.024 1.00 32.34 C ATOM 1252 O GLY A 161 -23.558 -3.468 -5.326 1.00 38.55 O ATOM 1253 H GLY A 161 -24.577 0.291 -5.242 1.00 0.00 H ATOM 1254 N CYS A 162 -22.949 -2.037 -6.936 1.00 29.75 N ATOM 1255 CA CYS A 162 -21.638 -2.637 -7.113 1.00 28.31 C ATOM 1256 C CYS A 162 -20.762 -2.338 -5.910 1.00 28.81 C ATOM 1257 O CYS A 162 -20.813 -1.236 -5.368 1.00 32.09 O ATOM 1258 CB CYS A 162 -20.979 -2.117 -8.397 1.00 31.83 C ATOM 1259 SG CYS A 162 -19.348 -2.839 -8.803 1.00 20.61 S ATOM 1260 H CYS A 162 -23.227 -1.237 -7.539 1.00 0.00 H ATOM 1261 N ARG A 163 -19.959 -3.316 -5.495 1.00 28.65 N ATOM 1262 CA ARG A 163 -19.069 -3.138 -4.353 1.00 29.43 C ATOM 1263 C ARG A 163 -17.630 -3.469 -4.726 1.00 29.06 C ATOM 1264 O ARG A 163 -16.829 -3.879 -3.875 1.00 31.50 O ATOM 1265 CB ARG A 163 -19.531 -3.999 -3.168 1.00 36.45 C ATOM 1266 CG ARG A 163 -20.712 -3.397 -2.401 1.00 36.82 C ATOM 1267 CD ARG A 163 -20.692 -3.838 -0.940 1.00 55.56 C ATOM 1268 NE ARG A 163 -19.358 -3.754 -0.325 1.00 61.23 N ATOM 1269 CZ ARG A 163 -18.997 -4.416 0.776 1.00 56.22 C ATOM 1270 NH1 ARG A 163 -19.867 -5.205 1.399 1.00 50.99 N ATOM 1271 NH2 ARG A 163 -17.764 -4.291 1.252 1.00 56.55 N ATOM 1272 HE ARG A 163 -18.651 -3.139 -0.777 1.00 0.00 H ATOM 1273 HH12 ARG A 163 -19.581 -5.719 2.257 1.00 0.00 H ATOM 1274 HH11 ARG A 163 -20.833 -5.308 1.029 1.00 0.00 H ATOM 1275 HH22 ARG A 163 -17.483 -4.807 2.110 1.00 0.00 H ATOM 1276 HH21 ARG A 163 -17.079 -3.677 0.767 1.00 0.00 H ATOM 1277 H ARG A 163 -19.967 -4.227 -5.996 1.00 0.00 H ATOM 1278 N GLN A 164 -17.311 -3.287 -6.006 1.00 24.04 N ATOM 1279 CA GLN A 164 -15.945 -3.446 -6.494 1.00 21.22 C ATOM 1280 C GLN A 164 -15.010 -2.415 -5.851 1.00 24.75 C ATOM 1281 O GLN A 164 -15.344 -1.217 -5.745 1.00 23.63 O ATOM 1282 CB GLN A 164 -15.902 -3.328 -8.024 1.00 19.49 C ATOM 1283 CG GLN A 164 -16.328 -4.574 -8.788 1.00 17.51 C ATOM 1284 CD GLN A 164 -15.229 -5.620 -8.798 1.00 21.55 C ATOM 1285 OE1 GLN A 164 -14.951 -6.247 -7.779 1.00 31.73 O ATOM 1286 NE2 GLN A 164 -14.557 -5.770 -9.931 1.00 18.79 N ATOM 1287 HE22 GLN A 164 -14.825 -5.219 -10.771 1.00 0.00 H ATOM 1288 HE21 GLN A 164 -13.762 -6.438 -9.979 1.00 0.00 H ATOM 1289 H GLN A 164 -18.059 -3.023 -6.679 1.00 0.00 H ATOM 1290 N ALA A 165 -13.836 -2.881 -5.432 1.00 20.99 N ATOM 1291 CA ALA A 165 -12.888 -2.023 -4.733 1.00 19.24 C ATOM 1292 C ALA A 165 -11.544 -1.958 -5.449 1.00 22.85 C ATOM 1293 O ALA A 165 -11.006 -2.977 -5.929 1.00 24.65 O ATOM 1294 CB ALA A 165 -12.695 -2.499 -3.289 1.00 18.46 C ATOM 1295 H ALA A 165 -13.590 -3.876 -5.607 1.00 0.00 H ATOM 1296 N PHE A 166 -10.984 -0.755 -5.500 1.00 18.22 N ATOM 1297 CA PHE A 166 -9.726 -0.569 -6.190 1.00 17.42 C ATOM 1298 C PHE A 166 -8.994 0.663 -5.700 1.00 18.26 C ATOM 1299 O PHE A 166 -9.625 1.659 -5.336 1.00 19.03 O ATOM 1300 CB PHE A 166 -9.982 -0.477 -7.693 1.00 18.30 C ATOM 1301 CG PHE A 166 -11.165 0.391 -8.052 1.00 18.32 C ATOM 1302 CD1 PHE A 166 -12.435 -0.161 -8.208 1.00 18.72 C ATOM 1303 CD2 PHE A 166 -11.013 1.764 -8.214 1.00 20.62 C ATOM 1304 CE1 PHE A 166 -13.529 0.638 -8.532 1.00 19.37 C ATOM 1305 CE2 PHE A 166 -12.112 2.577 -8.547 1.00 19.28 C ATOM 1306 CZ PHE A 166 -13.365 2.010 -8.705 1.00 20.06 C ATOM 1307 H PHE A 166 -11.450 0.055 -5.043 1.00 0.00 H ATOM 1308 N HIS A 167 -7.663 0.580 -5.700 1.00 16.97 N ATOM 1309 CA HIS A 167 -6.799 1.727 -5.446 1.00 17.74 C ATOM 1310 C HIS A 167 -7.151 2.875 -6.394 1.00 15.64 C ATOM 1311 O HIS A 167 -7.439 2.638 -7.572 1.00 15.74 O ATOM 1312 CB HIS A 167 -5.321 1.338 -5.619 1.00 16.53 C ATOM 1313 CG HIS A 167 -4.845 0.287 -4.643 1.00 19.58 C ATOM 1314 ND1 HIS A 167 -4.208 -0.861 -5.056 1.00 18.91 N ATOM 1315 CD2 HIS A 167 -4.916 0.240 -3.300 1.00 18.58 C ATOM 1316 CE1 HIS A 167 -3.909 -1.583 -3.988 1.00 20.23 C ATOM 1317 NE2 HIS A 167 -4.318 -0.950 -2.915 1.00 20.01 N ATOM 1318 H HIS A 167 -7.222 -0.343 -5.889 1.00 0.00 H ATOM 1319 N VAL A 168 -7.142 4.101 -5.876 1.00 13.40 N ATOM 1320 CA VAL A 168 -7.355 5.279 -6.697 1.00 15.37 C ATOM 1321 C VAL A 168 -6.356 5.343 -7.840 1.00 18.23 C ATOM 1322 O VAL A 168 -6.725 5.600 -8.995 1.00 16.49 O ATOM 1323 CB VAL A 168 -7.238 6.587 -5.883 1.00 21.20 C ATOM 1324 CG1 VAL A 168 -7.201 7.817 -6.810 1.00 18.59 C ATOM 1325 CG2 VAL A 168 -8.398 6.706 -4.917 1.00 22.03 C ATOM 1326 H VAL A 168 -6.978 4.218 -4.856 1.00 0.00 H ATOM 1327 N THR A 169 -5.090 5.101 -7.522 1.00 18.02 N ATOM 1328 CA THR A 169 -4.054 5.169 -8.542 1.00 20.44 C ATOM 1329 C THR A 169 -4.201 4.060 -9.590 1.00 22.25 C ATOM 1330 O THR A 169 -3.832 4.259 -10.747 1.00 28.12 O ATOM 1331 CB THR A 169 -2.636 5.107 -7.928 1.00 22.42 C ATOM 1332 OG1 THR A 169 -2.597 4.141 -6.880 1.00 25.69 O ATOM 1333 CG2 THR A 169 -2.255 6.449 -7.347 1.00 20.44 C ATOM 1334 HG1 THR A 169 -1.685 4.110 -6.495 1.00 0.00 H ATOM 1335 H THR A 169 -4.838 4.862 -6.542 1.00 0.00 H ATOM 1336 N CYS A 170 -4.732 2.899 -9.211 1.00 19.55 N ATOM 1337 CA CYS A 170 -4.905 1.827 -10.198 1.00 18.38 C ATOM 1338 C CYS A 170 -5.989 2.181 -11.210 1.00 23.68 C ATOM 1339 O CYS A 170 -5.850 1.893 -12.405 1.00 27.65 O ATOM 1340 CB CYS A 170 -5.249 0.499 -9.527 1.00 20.56 C ATOM 1341 SG CYS A 170 -3.905 -0.292 -8.629 1.00 21.49 S ATOM 1342 H CYS A 170 -5.022 2.753 -8.223 1.00 0.00 H ATOM 1343 N ALA A 171 -7.070 2.795 -10.734 1.00 19.84 N ATOM 1344 CA ALA A 171 -8.160 3.170 -11.620 1.00 20.43 C ATOM 1345 C ALA A 171 -7.713 4.349 -12.511 1.00 25.57 C ATOM 1346 O ALA A 171 -8.171 4.504 -13.658 1.00 23.76 O ATOM 1347 CB ALA A 171 -9.406 3.512 -10.817 1.00 14.58 C ATOM 1348 H ALA A 171 -7.135 3.009 -9.718 1.00 0.00 H ATOM 1349 N GLN A 172 -6.786 5.151 -11.987 1.00 23.68 N ATOM 1350 CA GLN A 172 -6.250 6.290 -12.727 1.00 27.41 C ATOM 1351 C GLN A 172 -5.560 5.826 -14.012 1.00 26.36 C ATOM 1352 O GLN A 172 -5.804 6.382 -15.079 1.00 30.01 O ATOM 1353 CB GLN A 172 -5.275 7.101 -11.866 1.00 24.78 C ATOM 1354 CG GLN A 172 -4.759 8.360 -12.543 1.00 23.65 C ATOM 1355 CD GLN A 172 -3.682 9.091 -11.730 1.00 29.27 C ATOM 1356 OE1 GLN A 172 -2.874 8.471 -11.048 1.00 27.99 O ATOM 1357 NE2 GLN A 172 -3.685 10.418 -11.799 1.00 26.62 N ATOM 1358 HE22 GLN A 172 -4.388 10.906 -12.390 1.00 0.00 H ATOM 1359 HE21 GLN A 172 -2.984 10.968 -11.262 1.00 0.00 H ATOM 1360 H GLN A 172 -6.436 4.961 -11.027 1.00 0.00 H ATOM 1361 N PHE A 173 -4.708 4.811 -13.915 1.00 22.64 N ATOM 1362 CA PHE A 173 -3.977 4.321 -15.090 1.00 25.27 C ATOM 1363 C PHE A 173 -4.848 3.428 -15.952 1.00 18.56 C ATOM 1364 O PHE A 173 -4.594 3.260 -17.124 1.00 21.60 O ATOM 1365 CB PHE A 173 -2.700 3.580 -14.664 1.00 23.59 C ATOM 1366 CG PHE A 173 -1.623 4.502 -14.172 1.00 29.47 C ATOM 1367 CD1 PHE A 173 -1.746 5.130 -12.926 1.00 32.27 C ATOM 1368 CD2 PHE A 173 -0.492 4.762 -14.938 1.00 35.23 C ATOM 1369 CE1 PHE A 173 -0.774 6.004 -12.448 1.00 31.00 C ATOM 1370 CE2 PHE A 173 0.507 5.653 -14.455 1.00 44.49 C ATOM 1371 CZ PHE A 173 0.355 6.266 -13.204 1.00 35.99 C ATOM 1372 H PHE A 173 -4.557 4.356 -12.992 1.00 0.00 H ATOM 1373 N ALA A 174 -5.888 2.862 -15.370 1.00 22.87 N ATOM 1374 CA ALA A 174 -6.856 2.108 -16.153 1.00 22.43 C ATOM 1375 C ALA A 174 -7.844 3.044 -16.790 1.00 20.85 C ATOM 1376 O ALA A 174 -8.675 2.606 -17.564 1.00 23.28 O ATOM 1377 CB ALA A 174 -7.586 1.087 -15.288 1.00 18.71 C ATOM 1378 H ALA A 174 -6.017 2.955 -14.342 1.00 0.00 H ATOM 1379 N GLY A 175 -7.757 4.326 -16.445 1.00 21.50 N ATOM 1380 CA GLY A 175 -8.654 5.341 -16.960 1.00 20.08 C ATOM 1381 C GLY A 175 -10.059 5.205 -16.413 1.00 25.20 C ATOM 1382 O GLY A 175 -11.023 5.349 -17.152 1.00 29.24 O ATOM 1383 H GLY A 175 -7.013 4.612 -15.777 1.00 0.00 H ATOM 1384 N LEU A 176 -10.182 4.925 -15.116 1.00 29.31 N ATOM 1385 CA LEU A 176 -11.483 4.610 -14.506 1.00 26.01 C ATOM 1386 C LEU A 176 -11.950 5.712 -13.543 1.00 28.04 C ATOM 1387 O LEU A 176 -12.971 5.571 -12.859 1.00 26.78 O ATOM 1388 CB LEU A 176 -11.413 3.256 -13.791 1.00 22.06 C ATOM 1389 CG LEU A 176 -11.181 2.074 -14.744 1.00 24.98 C ATOM 1390 CD1 LEU A 176 -10.986 0.779 -14.001 1.00 22.76 C ATOM 1391 CD2 LEU A 176 -12.344 1.934 -15.714 1.00 27.71 C ATOM 1392 H LEU A 176 -9.332 4.929 -14.517 1.00 0.00 H ATOM 1393 N LEU A 177 -11.213 6.816 -13.509 1.00 22.87 N ATOM 1394 CA LEU A 177 -11.582 7.937 -12.663 1.00 22.95 C ATOM 1395 C LEU A 177 -12.289 9.030 -13.438 1.00 27.56 C ATOM 1396 O LEU A 177 -12.103 9.173 -14.643 1.00 26.26 O ATOM 1397 CB LEU A 177 -10.352 8.532 -11.986 1.00 24.70 C ATOM 1398 CG LEU A 177 -9.588 7.636 -11.027 1.00 27.73 C ATOM 1399 CD1 LEU A 177 -8.445 8.438 -10.422 1.00 26.19 C ATOM 1400 CD2 LEU A 177 -10.537 7.091 -9.961 1.00 23.00 C ATOM 1401 H LEU A 177 -10.358 6.879 -14.098 1.00 0.00 H ATOM 1402 N CYS A 178 -13.081 9.826 -12.725 1.00 30.29 N ATOM 1403 CA CYS A 178 -13.724 10.984 -13.334 1.00 31.86 C ATOM 1404 C CYS A 178 -14.250 11.980 -12.311 1.00 31.90 C ATOM 1405 O CYS A 178 -14.598 11.635 -11.182 1.00 26.42 O ATOM 1406 CB CYS A 178 -14.863 10.536 -14.239 1.00 34.64 C ATOM 1407 SG CYS A 178 -16.029 9.484 -13.394 1.00 40.56 S ATOM 1408 H CYS A 178 -13.244 9.619 -11.719 1.00 0.00 H ATOM 1409 N GLU A 179 -14.289 13.235 -12.732 1.00 35.42 N ATOM 1410 CA GLU A 179 -14.805 14.312 -11.911 1.00 33.05 C ATOM 1411 C GLU A 179 -16.201 14.645 -12.392 1.00 36.54 C ATOM 1412 O GLU A 179 -16.375 15.200 -13.470 1.00 43.09 O ATOM 1413 CB GLU A 179 -13.900 15.538 -11.984 1.00 24.08 C ATOM 1414 CG GLU A 179 -12.558 15.323 -11.341 1.00 30.97 C ATOM 1415 CD GLU A 179 -11.616 16.494 -11.525 1.00 35.55 C ATOM 1416 OE1 GLU A 179 -12.097 17.645 -11.611 1.00 25.98 O ATOM 1417 OE2 GLU A 179 -10.393 16.250 -11.581 1.00 31.37 O ATOM 1418 H GLU A 179 -13.937 13.455 -13.685 1.00 0.00 H ATOM 1419 N GLU A 180 -17.200 14.284 -11.598 1.00 37.85 N ATOM 1420 CA GLU A 180 -18.586 14.565 -11.940 1.00 35.65 C ATOM 1421 C GLU A 180 -19.058 15.813 -11.177 1.00 43.90 C ATOM 1422 O GLU A 180 -18.598 16.087 -10.063 1.00 37.74 O ATOM 1423 CB GLU A 180 -19.465 13.348 -11.618 1.00 38.63 C ATOM 1424 CG GLU A 180 -19.028 12.062 -12.330 1.00 34.51 C ATOM 1425 CD GLU A 180 -19.922 10.861 -12.012 1.00 44.22 C ATOM 1426 OE1 GLU A 180 -19.622 9.742 -12.491 1.00 42.00 O ATOM 1427 OE2 GLU A 180 -20.928 11.024 -11.288 1.00 41.17 O ATOM 1428 H GLU A 180 -16.987 13.788 -10.709 1.00 0.00 H ATOM 1429 N GLU A 181 -19.963 16.577 -11.786 1.00 50.85 N ATOM 1430 CA GLU A 181 -20.530 17.767 -11.147 1.00 44.10 C ATOM 1431 C GLU A 181 -21.324 17.407 -9.893 1.00 38.78 C ATOM 1432 O GLU A 181 -22.048 16.419 -9.867 1.00 40.56 O ATOM 1433 CB GLU A 181 -21.424 18.530 -12.133 1.00 39.67 C ATOM 1434 H GLU A 181 -20.277 16.321 -12.744 1.00 0.00 H ATOM 1435 N GLY A 182 -21.177 18.218 -8.853 1.00 43.63 N ATOM 1436 CA GLY A 182 -21.891 18.002 -7.611 1.00 43.45 C ATOM 1437 C GLY A 182 -22.844 19.137 -7.290 1.00 45.79 C ATOM 1438 O GLY A 182 -22.799 20.196 -7.909 1.00 48.89 O ATOM 1439 H GLY A 182 -20.532 19.030 -8.932 1.00 0.00 H ATOM 1440 N ASN A 183 -23.714 18.914 -6.314 1.00 45.45 N ATOM 1441 CA ASN A 183 -24.634 19.950 -5.873 1.00 50.50 C ATOM 1442 C ASN A 183 -23.864 21.043 -5.156 1.00 55.26 C ATOM 1443 O ASN A 183 -23.084 20.778 -4.247 1.00 61.13 O ATOM 1444 CB ASN A 183 -25.709 19.363 -4.960 1.00 36.56 C ATOM 1445 CG ASN A 183 -26.486 18.242 -5.626 1.00 48.38 C ATOM 1446 OD1 ASN A 183 -26.160 17.813 -6.734 1.00 49.60 O ATOM 1447 ND2 ASN A 183 -27.496 17.731 -4.933 1.00 50.26 N ATOM 1448 HD22 ASN A 183 -27.738 18.123 -4.001 1.00 0.00 H ATOM 1449 HD21 ASN A 183 -28.045 16.938 -5.322 1.00 0.00 H ATOM 1450 H ASN A 183 -23.739 17.981 -5.856 1.00 0.00 H ATOM 1451 N GLY A 184 -24.073 22.281 -5.568 1.00 54.35 N ATOM 1452 CA GLY A 184 -23.341 23.375 -4.969 1.00 57.45 C ATOM 1453 C GLY A 184 -22.747 24.232 -6.059 1.00 61.10 C ATOM 1454 O GLY A 184 -22.812 23.876 -7.240 1.00 64.76 O ATOM 1455 H GLY A 184 -24.764 22.469 -6.323 1.00 0.00 H ATOM 1456 N ALA A 185 -22.173 25.364 -5.669 1.00 60.92 N ATOM 1457 CA ALA A 185 -21.635 26.306 -6.639 1.00 67.05 C ATOM 1458 C ALA A 185 -20.646 25.590 -7.551 1.00 66.54 C ATOM 1459 O ALA A 185 -20.877 25.437 -8.754 1.00 66.67 O ATOM 1460 CB ALA A 185 -20.964 27.474 -5.936 1.00 63.80 C ATOM 1461 H ALA A 185 -22.107 25.581 -4.654 1.00 0.00 H ATOM 1462 N ASP A 186 -19.560 25.113 -6.951 1.00 58.57 N ATOM 1463 CA ASP A 186 -18.494 24.493 -7.716 1.00 57.22 C ATOM 1464 C ASP A 186 -18.008 23.198 -7.081 1.00 52.62 C ATOM 1465 O ASP A 186 -16.836 22.838 -7.195 1.00 50.13 O ATOM 1466 CB ASP A 186 -17.333 25.468 -7.882 1.00 53.34 C ATOM 1467 CG ASP A 186 -16.668 25.332 -9.222 1.00 70.03 C ATOM 1468 OD1 ASP A 186 -17.218 25.913 -10.183 1.00 75.53 O ATOM 1469 OD2 ASP A 186 -15.617 24.669 -9.285 1.00 71.42 O ATOM 1470 H ASP A 186 -19.473 25.185 -5.917 1.00 0.00 H ATOM 1471 N ASN A 187 -18.921 22.503 -6.418 1.00 52.64 N ATOM 1472 CA ASN A 187 -18.580 21.257 -5.781 1.00 44.82 C ATOM 1473 C ASN A 187 -18.365 20.163 -6.809 1.00 43.08 C ATOM 1474 O ASN A 187 -19.255 19.856 -7.603 1.00 45.41 O ATOM 1475 CB ASN A 187 -19.672 20.854 -4.799 1.00 49.07 C ATOM 1476 CG ASN A 187 -19.437 21.403 -3.405 1.00 53.84 C ATOM 1477 OD1 ASN A 187 -18.301 21.701 -3.020 1.00 51.27 O ATOM 1478 ND2 ASN A 187 -20.511 21.511 -2.624 1.00 52.93 N ATOM 1479 HD22 ASN A 187 -21.449 21.249 -2.990 1.00 0.00 H ATOM 1480 HD21 ASN A 187 -20.412 21.858 -1.648 1.00 0.00 H ATOM 1481 H ASN A 187 -19.895 22.862 -6.357 1.00 0.00 H ATOM 1482 N VAL A 188 -17.180 19.570 -6.778 1.00 33.00 N ATOM 1483 CA VAL A 188 -16.892 18.404 -7.586 1.00 33.66 C ATOM 1484 C VAL A 188 -17.026 17.137 -6.738 1.00 33.46 C ATOM 1485 O VAL A 188 -16.609 17.093 -5.576 1.00 28.89 O ATOM 1486 CB VAL A 188 -15.480 18.492 -8.195 1.00 30.30 C ATOM 1487 CG1 VAL A 188 -15.087 17.187 -8.874 1.00 24.89 C ATOM 1488 CG2 VAL A 188 -15.415 19.643 -9.176 1.00 38.91 C ATOM 1489 H VAL A 188 -16.438 19.952 -6.157 1.00 0.00 H ATOM 1490 N GLN A 189 -17.628 16.111 -7.322 1.00 32.89 N ATOM 1491 CA GLN A 189 -17.620 14.784 -6.727 1.00 32.20 C ATOM 1492 C GLN A 189 -16.573 13.947 -7.445 1.00 28.00 C ATOM 1493 O GLN A 189 -16.729 13.636 -8.617 1.00 30.22 O ATOM 1494 CB GLN A 189 -19.003 14.136 -6.818 1.00 36.11 C ATOM 1495 CG GLN A 189 -19.415 13.411 -5.543 1.00 49.94 C ATOM 1496 CD GLN A 189 -20.781 12.772 -5.648 1.00 56.71 C ATOM 1497 OE1 GLN A 189 -21.686 13.326 -6.272 1.00 54.54 O ATOM 1498 NE2 GLN A 189 -20.947 11.611 -5.016 1.00 62.12 N ATOM 1499 HE22 GLN A 189 -20.152 11.181 -4.501 1.00 0.00 H ATOM 1500 HE21 GLN A 189 -21.871 11.135 -5.037 1.00 0.00 H ATOM 1501 H GLN A 189 -18.118 16.258 -8.227 1.00 0.00 H ATOM 1502 N TYR A 190 -15.486 13.627 -6.755 1.00 27.25 N ATOM 1503 CA TYR A 190 -14.413 12.822 -7.340 1.00 24.25 C ATOM 1504 C TYR A 190 -14.715 11.348 -7.165 1.00 23.48 C ATOM 1505 O TYR A 190 -14.697 10.821 -6.033 1.00 20.52 O ATOM 1506 CB TYR A 190 -13.066 13.147 -6.699 1.00 20.16 C ATOM 1507 CG TYR A 190 -12.639 14.586 -6.829 1.00 23.36 C ATOM 1508 CD1 TYR A 190 -12.015 15.033 -7.983 1.00 24.56 C ATOM 1509 CD2 TYR A 190 -12.838 15.494 -5.796 1.00 20.58 C ATOM 1510 CE1 TYR A 190 -11.609 16.347 -8.114 1.00 24.37 C ATOM 1511 CE2 TYR A 190 -12.435 16.808 -5.911 1.00 21.44 C ATOM 1512 CZ TYR A 190 -11.819 17.236 -7.077 1.00 25.58 C ATOM 1513 OH TYR A 190 -11.403 18.547 -7.227 1.00 23.63 O ATOM 1514 HH TYR A 190 -10.740 18.764 -6.524 1.00 0.00 H ATOM 1515 H TYR A 190 -15.394 13.957 -5.773 1.00 0.00 H ATOM 1516 N CYS A 191 -15.019 10.686 -8.272 1.00 23.88 N ATOM 1517 CA CYS A 191 -15.411 9.286 -8.188 1.00 24.67 C ATOM 1518 C CYS A 191 -14.773 8.403 -9.243 1.00 22.78 C ATOM 1519 O CYS A 191 -13.926 8.845 -10.011 1.00 26.06 O ATOM 1520 CB CYS A 191 -16.932 9.155 -8.254 1.00 27.09 C ATOM 1521 SG CYS A 191 -17.675 10.078 -9.550 1.00 40.87 S ATOM 1522 H CYS A 191 -14.978 11.163 -9.195 1.00 0.00 H ATOM 1523 N GLY A 192 -15.171 7.135 -9.238 1.00 26.11 N ATOM 1524 CA GLY A 192 -14.606 6.139 -10.131 1.00 25.40 C ATOM 1525 C GLY A 192 -15.578 5.014 -10.415 1.00 24.28 C ATOM 1526 O GLY A 192 -16.643 4.941 -9.816 1.00 24.57 O ATOM 1527 H GLY A 192 -15.914 6.846 -8.570 1.00 0.00 H ATOM 1528 N TYR A 193 -15.223 4.139 -11.347 1.00 26.43 N ATOM 1529 CA TYR A 193 -16.082 3.007 -11.698 1.00 27.02 C ATOM 1530 C TYR A 193 -15.227 1.814 -12.078 1.00 28.43 C ATOM 1531 O TYR A 193 -14.158 1.983 -12.678 1.00 29.43 O ATOM 1532 CB TYR A 193 -17.038 3.367 -12.849 1.00 25.39 C ATOM 1533 CG TYR A 193 -17.989 4.515 -12.544 1.00 29.43 C ATOM 1534 CD1 TYR A 193 -17.616 5.838 -12.766 1.00 27.12 C ATOM 1535 CD2 TYR A 193 -19.256 4.270 -12.024 1.00 25.33 C ATOM 1536 CE1 TYR A 193 -18.480 6.873 -12.489 1.00 28.82 C ATOM 1537 CE2 TYR A 193 -20.120 5.292 -11.748 1.00 24.01 C ATOM 1538 CZ TYR A 193 -19.734 6.590 -11.981 1.00 31.64 C ATOM 1539 OH TYR A 193 -20.602 7.611 -11.691 1.00 34.80 O ATOM 1540 HH TYR A 193 -20.177 8.477 -11.914 1.00 0.00 H ATOM 1541 H TYR A 193 -14.315 4.260 -11.839 1.00 0.00 H ATOM 1542 N CYS A 194 -15.680 0.610 -11.729 1.00 24.81 N ATOM 1543 CA CYS A 194 -14.956 -0.587 -12.133 1.00 24.16 C ATOM 1544 C CYS A 194 -15.129 -0.778 -13.636 1.00 26.91 C ATOM 1545 O CYS A 194 -15.938 -0.087 -14.259 1.00 29.53 O ATOM 1546 CB CYS A 194 -15.443 -1.823 -11.377 1.00 27.61 C ATOM 1547 SG CYS A 194 -17.082 -2.438 -11.867 1.00 25.42 S ATOM 1548 H CYS A 194 -16.551 0.525 -11.168 1.00 0.00 H ATOM 1549 N LYS A 195 -14.387 -1.713 -14.221 1.00 24.16 N ATOM 1550 CA LYS A 195 -14.419 -1.895 -15.671 1.00 24.77 C ATOM 1551 C LYS A 195 -15.832 -2.204 -16.192 1.00 23.82 C ATOM 1552 O LYS A 195 -16.137 -1.947 -17.355 1.00 26.54 O ATOM 1553 CB LYS A 195 -13.433 -3.000 -16.080 1.00 23.32 C ATOM 1554 CG LYS A 195 -13.758 -4.369 -15.484 1.00 23.32 C ATOM 1555 CD LYS A 195 -12.632 -5.345 -15.739 1.00 24.63 C ATOM 1556 CE LYS A 195 -13.007 -6.759 -15.287 1.00 31.23 C ATOM 1557 NZ LYS A 195 -11.868 -7.725 -15.374 1.00 25.07 N ATOM 1558 HZ1 LYS A 195 -11.541 -7.785 -16.359 1.00 0.00 H ATOM 1559 HZ2 LYS A 195 -11.089 -7.396 -14.768 1.00 0.00 H ATOM 1560 HZ3 LYS A 195 -12.185 -8.663 -15.055 1.00 0.00 H ATOM 1561 H LYS A 195 -13.776 -2.322 -13.640 1.00 0.00 H ATOM 1562 N TYR A 196 -16.694 -2.732 -15.325 1.00 23.68 N ATOM 1563 CA TYR A 196 -18.047 -3.120 -15.737 1.00 26.69 C ATOM 1564 C TYR A 196 -18.977 -1.937 -15.913 1.00 27.43 C ATOM 1565 O TYR A 196 -19.919 -1.999 -16.698 1.00 24.13 O ATOM 1566 CB TYR A 196 -18.674 -4.090 -14.726 1.00 22.57 C ATOM 1567 CG TYR A 196 -17.933 -5.384 -14.614 1.00 24.46 C ATOM 1568 CD1 TYR A 196 -17.448 -6.017 -15.743 1.00 29.85 C ATOM 1569 CD2 TYR A 196 -17.679 -5.958 -13.374 1.00 24.85 C ATOM 1570 CE1 TYR A 196 -16.748 -7.199 -15.649 1.00 29.97 C ATOM 1571 CE2 TYR A 196 -16.977 -7.136 -13.266 1.00 26.32 C ATOM 1572 CZ TYR A 196 -16.514 -7.754 -14.411 1.00 29.41 C ATOM 1573 OH TYR A 196 -15.808 -8.926 -14.313 1.00 30.97 O ATOM 1574 HH TYR A 196 -14.993 -8.774 -13.773 1.00 0.00 H ATOM 1575 H TYR A 196 -16.402 -2.872 -14.337 1.00 0.00 H ATOM 1576 N HIS A 197 -18.712 -0.864 -15.174 1.00 34.74 N ATOM 1577 CA HIS A 197 -19.717 0.176 -14.966 1.00 30.02 C ATOM 1578 C HIS A 197 -19.316 1.584 -15.387 1.00 27.93 C ATOM 1579 O HIS A 197 -20.009 2.543 -15.057 1.00 30.56 O ATOM 1580 CB HIS A 197 -20.127 0.195 -13.496 1.00 24.98 C ATOM 1581 CG HIS A 197 -20.779 -1.068 -13.036 1.00 27.01 C ATOM 1582 ND1 HIS A 197 -20.257 -1.857 -12.034 1.00 28.73 N ATOM 1583 CD2 HIS A 197 -21.914 -1.683 -13.448 1.00 28.05 C ATOM 1584 CE1 HIS A 197 -21.048 -2.896 -11.841 1.00 32.35 C ATOM 1585 NE2 HIS A 197 -22.057 -2.817 -12.681 1.00 33.11 N ATOM 1586 H HIS A 197 -17.774 -0.763 -14.737 1.00 0.00 H ATOM 1587 N PHE A 198 -18.224 1.713 -16.129 1.00 24.41 N ATOM 1588 CA PHE A 198 -17.792 3.026 -16.596 1.00 33.39 C ATOM 1589 C PHE A 198 -18.687 3.547 -17.748 1.00 40.35 C ATOM 1590 O PHE A 198 -18.733 2.960 -18.837 1.00 48.92 O ATOM 1591 CB PHE A 198 -16.331 2.981 -17.029 1.00 30.12 C ATOM 1592 CG PHE A 198 -15.726 4.340 -17.225 1.00 30.67 C ATOM 1593 CD1 PHE A 198 -15.890 5.029 -18.424 1.00 33.42 C ATOM 1594 CD2 PHE A 198 -14.991 4.939 -16.201 1.00 34.81 C ATOM 1595 CE1 PHE A 198 -15.336 6.295 -18.602 1.00 29.70 C ATOM 1596 CE2 PHE A 198 -14.431 6.219 -16.364 1.00 29.77 C ATOM 1597 CZ PHE A 198 -14.604 6.890 -17.568 1.00 29.90 C ATOM 1598 H PHE A 198 -17.670 0.869 -16.380 1.00 0.00 H ATOM 1599 N SER A 199 -19.376 4.661 -17.497 1.00 42.65 N ATOM 1600 CA SER A 199 -20.397 5.224 -18.401 1.00 43.28 C ATOM 1601 C SER A 199 -21.415 4.186 -18.872 1.00 52.04 C ATOM 1602 O SER A 199 -21.868 3.365 -18.071 1.00 58.60 O ATOM 1603 CB SER A 199 -19.735 5.920 -19.604 1.00 45.33 C ATOM 1604 OG SER A 199 -19.175 7.174 -19.219 1.00 45.97 O ATOM 1605 HG SER A 199 -18.756 7.603 -20.007 1.00 0.00 H ATOM 1606 H SER A 199 -19.181 5.165 -16.608 1.00 0.00 H TER 1607 SER A 199 HETATM 1608 ZN ZN A 1 -4.196 18.993 -12.921 1.00 20.84 ZN HETATM 1609 ZN ZN A 2 9.817 16.106 -6.998 1.00 29.11 ZN HETATM 1610 ZN ZN A 3 -1.652 6.835 -3.511 1.00 20.17 ZN HETATM 1611 ZN ZN A 4 -4.382 -1.852 -7.018 1.00 21.64 ZN HETATM 1612 ZN ZN A 5 -18.740 -1.513 -10.697 1.00 26.11 ZN HETATM 1613 O HOH 6 -4.634 27.490 -22.070 1.00 49.27 O HETATM 1614 O HOH 7 9.841 16.888 -13.043 1.00 25.05 O HETATM 1615 O HOH 8 -8.731 -5.492 -13.912 1.00 22.11 O HETATM 1616 O HOH 9 -14.763 -2.418 9.699 1.00 37.21 O HETATM 1617 O HOH 10 -21.360 1.091 -5.105 1.00 27.67 O HETATM 1618 O HOH 11 -1.967 23.099 6.498 1.00 26.53 O HETATM 1619 O HOH 12 2.255 35.532 -4.522 1.00 36.90 O HETATM 1620 O HOH 13 3.167 26.714 -2.720 1.00 21.30 O HETATM 1621 O HOH 14 -8.755 2.206 -20.060 1.00 23.47 O HETATM 1622 O HOH 15 -13.881 11.653 -3.159 1.00 20.35 O HETATM 1623 O HOH 16 -6.413 -4.486 2.597 1.00 31.09 O HETATM 1624 O HOH 17 -13.753 -8.091 -12.440 1.00 22.84 O HETATM 1625 O HOH 18 -6.099 -2.189 -0.568 1.00 25.16 O HETATM 1626 O HOH 19 -10.627 19.091 3.607 1.00 23.44 O HETATM 1627 O HOH 20 -12.666 3.010 11.497 1.00 38.69 O HETATM 1628 O HOH 21 -16.929 23.736 -4.079 1.00 42.20 O HETATM 1629 O HOH 22 -0.110 11.843 -8.252 1.00 37.69 O HETATM 1630 O HOH 23 -5.140 30.770 -20.223 1.00 28.66 O HETATM 1631 O HOH 24 -4.643 -1.866 3.905 1.00 28.61 O HETATM 1632 O HOH 25 -9.847 11.638 7.103 1.00 23.09 O HETATM 1633 O HOH 26 14.916 14.856 -5.938 1.00 29.53 O HETATM 1634 O HOH 27 4.037 7.469 4.351 1.00 26.03 O HETATM 1635 O HOH 28 -6.001 4.340 -3.112 1.00 18.06 O HETATM 1636 O HOH 29 -8.326 -1.923 1.370 1.00 20.43 O HETATM 1637 O HOH 30 -16.194 -2.294 -1.636 1.00 39.43 O HETATM 1638 O HOH 31 0.968 18.108 -20.926 1.00 28.31 O HETATM 1639 O HOH 32 -4.892 -9.552 -0.961 1.00 32.10 O HETATM 1640 O HOH 33 -6.141 -6.091 -13.806 1.00 23.41 O HETATM 1641 O HOH 34 -16.652 6.240 -6.513 1.00 17.01 O HETATM 1642 O HOH 35 3.387 7.229 9.818 1.00 27.08 O HETATM 1643 O HOH 36 1.706 1.630 1.021 1.00 22.99 O HETATM 1644 O HOH 37 11.914 16.805 5.943 1.00 38.56 O HETATM 1645 O HOH 38 5.884 13.931 -5.011 1.00 21.57 O HETATM 1646 O HOH 39 -6.560 22.451 -11.720 1.00 18.00 O HETATM 1647 O HOH 40 -12.909 -5.857 -5.253 1.00 20.11 O HETATM 1648 O HOH 41 -14.141 -10.642 -16.488 1.00 16.22 O HETATM 1649 O HOH 42 -7.636 21.206 -22.140 1.00 38.10 O HETATM 1650 O HOH 43 -0.563 -1.252 4.399 1.00 30.65 O HETATM 1651 O HOH 44 -6.715 28.886 -4.261 1.00 23.02 O HETATM 1652 O HOH 45 -8.542 27.349 -2.925 1.00 27.83 O HETATM 1653 N LEU A 46 -7.750 31.172 -7.810 1.00 0.24 N HETATM 1654 CA LEU A 46 -8.329 29.984 -8.453 1.00 0.06 C HETATM 1655 C LEU A 46 -8.483 28.855 -7.433 1.00 0.23 C HETATM 1656 O LEU A 46 -7.498 28.412 -6.812 1.00 -0.39 O HETATM 1657 N LEU A 46 -9.723 28.413 -7.250 1.00 -0.26 N HETATM 1658 CA LEU A 46 -10.014 27.378 -6.281 1.00 0.13 C HETATM 1659 C LEU A 46 -9.269 26.093 -6.642 1.00 0.20 C HETATM 1660 O LEU A 46 -9.270 25.669 -7.803 1.00 -0.39 O HETATM 1661 N LEU A 46 -8.639 25.486 -5.639 1.00 -0.26 N HETATM 1662 CA LEU A 46 -7.910 24.247 -5.819 1.00 0.16 C HETATM 1663 C LEU A 46 -8.865 23.085 -5.942 1.00 0.21 C HETATM 1664 O LEU A 46 -10.043 23.230 -5.631 1.00 -0.39 O HETATM 1665 N LEU A 46 -8.346 21.937 -6.394 1.00 -0.26 N HETATM 1666 CA LEU A 46 -9.101 20.675 -6.432 1.00 0.13 C HETATM 1667 C LEU A 46 -9.650 20.310 -5.053 1.00 0.20 C HETATM 1668 O LEU A 46 -10.767 19.791 -4.928 1.00 -0.39 O HETATM 1669 N LEU A 46 -8.859 20.588 -4.021 1.00 -0.26 N HETATM 1670 CA LEU A 46 -9.246 20.253 -2.659 1.00 0.13 C HETATM 1671 C LEU A 46 -10.440 21.103 -2.208 1.00 0.20 C HETATM 1672 O LEU A 46 -11.363 20.600 -1.569 1.00 -0.39 O HETATM 1673 N LEU A 46 -10.435 22.386 -2.563 1.00 -0.26 N HETATM 1674 CA LEU A 46 -11.498 23.281 -2.129 1.00 0.13 C HETATM 1675 C LEU A 46 -12.828 22.932 -2.783 1.00 0.20 C HETATM 1676 O LEU A 46 -13.892 23.315 -2.293 1.00 -0.39 O HETATM 1677 N LEU A 46 -12.769 22.192 -3.884 1.00 -0.26 N HETATM 1678 CA LEU A 46 -13.970 21.853 -4.627 1.00 0.13 C HETATM 1679 C LEU A 46 -14.538 20.501 -4.171 1.00 0.20 C HETATM 1680 O LEU A 46 -15.696 20.183 -4.429 1.00 -0.39 O HETATM 1681 N LEU A 46 -13.745 19.721 -3.444 1.00 -0.26 N HETATM 1682 CA LEU A 46 -14.204 18.399 -3.010 1.00 0.13 C HETATM 1683 C LEU A 46 -15.433 18.441 -2.118 1.00 0.20 C HETATM 1684 O LEU A 46 -15.484 19.191 -1.146 1.00 -0.39 O HETATM 1685 N LEU A 46 -16.402 17.592 -2.448 1.00 -0.27 N HETATM 1686 CA LEU A 46 -17.581 17.371 -1.616 1.00 0.12 C HETATM 1687 C LEU A 46 -17.254 16.513 -0.387 1.00 0.06 C HETATM 1688 O LEU A 46 -18.132 16.181 0.416 1.00 -0.57 O HETATM 1689 OXT LEU A 46 -16.102 16.127 -0.162 1.00 -0.57 O HETATM 1690 CB LEU A 46 -18.686 16.702 -2.440 1.00 0.08 C HETATM 1691 OG LEU A 46 -19.099 17.538 -3.511 1.00 -0.39 O HETATM 1692 H73 LEU A 46 -18.358 17.712 -4.079 1.00 0.21 H HETATM 1693 H71 LEU A 46 -19.549 16.500 -1.788 1.00 0.06 H HETATM 1694 H72 LEU A 46 -18.306 15.754 -2.849 1.00 0.06 H HETATM 1695 H70 LEU A 46 -17.946 18.349 -1.268 1.00 0.07 H HETATM 1696 H69 LEU A 46 -16.319 17.082 -3.304 1.00 0.19 H HETATM 1697 CB LEU A 46 -13.106 17.653 -2.264 1.00 -0.01 C HETATM 1698 CG LEU A 46 -13.484 16.214 -1.926 1.00 -0.04 C HETATM 1699 CD LEU A 46 -12.378 15.499 -1.172 1.00 -0.01 C HETATM 1700 CE LEU A 46 -12.761 14.076 -0.898 1.00 -0.04 C HETATM 1701 NZ LEU A 46 -11.656 13.351 -0.252 1.00 0.22 N HETATM 1702 H66 LEU A 46 -11.936 12.398 -0.078 1.00 0.20 H HETATM 1703 H67 LEU A 46 -11.425 13.799 0.621 1.00 0.20 H HETATM 1704 H68 LEU A 46 -10.850 13.359 -0.857 1.00 0.20 H HETATM 1705 H64 LEU A 46 -13.010 13.581 -1.848 1.00 0.08 H HETATM 1706 H65 LEU A 46 -13.639 14.060 -0.235 1.00 0.08 H HETATM 1707 H62 LEU A 46 -12.199 16.015 -0.217 1.00 0.03 H HETATM 1708 H63 LEU A 46 -11.459 15.516 -1.776 1.00 0.03 H HETATM 1709 H60 LEU A 46 -13.685 15.671 -2.861 1.00 0.03 H HETATM 1710 H61 LEU A 46 -14.391 16.222 -1.304 1.00 0.03 H HETATM 1711 H58 LEU A 46 -12.893 18.188 -1.327 1.00 0.03 H HETATM 1712 H59 LEU A 46 -12.203 17.640 -2.892 1.00 0.03 H HETATM 1713 H57 LEU A 46 -14.461 17.828 -3.914 1.00 0.08 H HETATM 1714 H56 LEU A 46 -12.831 20.038 -3.192 1.00 0.19 H HETATM 1715 CB LEU A 46 -13.668 21.874 -6.134 1.00 -0.01 C HETATM 1716 CG LEU A 46 -13.348 23.284 -6.652 1.00 -0.02 C HETATM 1717 CD LEU A 46 -12.887 23.351 -8.102 1.00 0.06 C HETATM 1718 NE LEU A 46 -13.982 23.142 -9.040 1.00 -0.27 N HETATM 1719 CZ LEU A 46 -13.827 22.650 -10.273 1.00 0.29 C HETATM 1720 NH1 LEU A 46 -12.613 22.317 -10.727 1.00 -0.28 N HETATM 1721 H52 LEU A 46 -12.505 21.939 -11.679 1.00 0.26 H HETATM 1722 H53 LEU A 46 -11.787 22.439 -10.124 1.00 0.26 H HETATM 1723 NH2 LEU A 46 -14.888 22.508 -11.072 1.00 -0.28 N HETATM 1724 H54 LEU A 46 -15.826 22.762 -10.732 1.00 0.26 H HETATM 1725 H55 LEU A 46 -14.768 22.145 -12.028 1.00 0.26 H HETATM 1726 H51 LEU A 46 -14.934 23.389 -8.734 1.00 0.26 H HETATM 1727 H49 LEU A 46 -12.126 22.574 -8.268 1.00 0.07 H HETATM 1728 H50 LEU A 46 -12.446 24.341 -8.288 1.00 0.07 H HETATM 1729 H47 LEU A 46 -12.552 23.706 -6.021 1.00 0.03 H HETATM 1730 H48 LEU A 46 -14.256 23.897 -6.555 1.00 0.03 H HETATM 1731 H45 LEU A 46 -14.546 21.491 -6.675 1.00 0.03 H HETATM 1732 H46 LEU A 46 -12.804 21.222 -6.329 1.00 0.03 H HETATM 1733 H44 LEU A 46 -14.730 22.622 -4.422 1.00 0.08 H HETATM 1734 H43 LEU A 46 -11.882 21.862 -4.207 1.00 0.19 H HETATM 1735 CB LEU A 46 -11.132 24.717 -2.417 1.00 -0.02 C HETATM 1736 H40 LEU A 46 -11.946 25.377 -2.083 1.00 0.03 H HETATM 1737 H41 LEU A 46 -10.976 24.846 -3.498 1.00 0.03 H HETATM 1738 H42 LEU A 46 -10.207 24.974 -1.880 1.00 0.03 H HETATM 1739 H39 LEU A 46 -11.614 23.167 -1.041 1.00 0.08 H HETATM 1740 H38 LEU A 46 -9.693 22.739 -3.134 1.00 0.19 H HETATM 1741 CB LEU A 46 -8.084 20.437 -1.734 1.00 -0.02 C HETATM 1742 H35 LEU A 46 -8.388 20.181 -0.708 1.00 0.03 H HETATM 1743 H36 LEU A 46 -7.751 21.485 -1.767 1.00 0.03 H HETATM 1744 H37 LEU A 46 -7.259 19.780 -2.047 1.00 0.03 H HETATM 1745 H34 LEU A 46 -9.546 19.195 -2.633 1.00 0.08 H HETATM 1746 H33 LEU A 46 -7.980 21.037 -4.184 1.00 0.19 H HETATM 1747 CB LEU A 46 -8.228 19.526 -6.961 1.00 -0.01 C HETATM 1748 CG LEU A 46 -7.813 19.658 -8.418 1.00 -0.04 C HETATM 1749 CD LEU A 46 -9.021 19.509 -9.337 1.00 -0.01 C HETATM 1750 CE LEU A 46 -8.622 19.624 -10.799 1.00 -0.04 C HETATM 1751 NZ LEU A 46 -9.790 19.550 -11.719 1.00 0.22 N HETATM 1752 H30 LEU A 46 -9.473 19.631 -12.672 1.00 0.20 H HETATM 1753 H31 LEU A 46 -10.428 20.302 -11.513 1.00 0.20 H HETATM 1754 H32 LEU A 46 -10.260 18.667 -11.595 1.00 0.20 H HETATM 1755 H28 LEU A 46 -7.931 18.803 -11.041 1.00 0.08 H HETATM 1756 H29 LEU A 46 -8.115 20.588 -10.951 1.00 0.08 H HETATM 1757 H26 LEU A 46 -9.750 20.299 -9.102 1.00 0.03 H HETATM 1758 H27 LEU A 46 -9.480 18.524 -9.168 1.00 0.03 H HETATM 1759 H24 LEU A 46 -7.079 18.875 -8.657 1.00 0.03 H HETATM 1760 H25 LEU A 46 -7.359 20.647 -8.576 1.00 0.03 H HETATM 1761 H22 LEU A 46 -8.792 18.588 -6.850 1.00 0.03 H HETATM 1762 H23 LEU A 46 -7.316 19.480 -6.348 1.00 0.03 H HETATM 1763 H21 LEU A 46 -9.951 20.808 -7.117 1.00 0.08 H HETATM 1764 H20 LEU A 46 -7.401 21.937 -6.721 1.00 0.19 H HETATM 1765 CB LEU A 46 -6.956 23.965 -4.658 1.00 0.09 C HETATM 1766 OG1 LEU A 46 -7.710 23.699 -3.464 1.00 -0.39 O HETATM 1767 H16 LEU A 46 -7.113 23.524 -2.746 1.00 0.21 H HETATM 1768 CG2 LEU A 46 -5.994 25.136 -4.443 1.00 -0.03 C HETATM 1769 H17 LEU A 46 -5.320 24.908 -3.604 1.00 0.03 H HETATM 1770 H18 LEU A 46 -6.569 26.046 -4.215 1.00 0.03 H HETATM 1771 H19 LEU A 46 -5.402 25.296 -5.356 1.00 0.03 H HETATM 1772 H15 LEU A 46 -6.363 23.072 -4.903 1.00 0.06 H HETATM 1773 H14 LEU A 46 -7.322 24.326 -6.745 1.00 0.08 H HETATM 1774 H13 LEU A 46 -8.670 25.900 -4.729 1.00 0.19 H HETATM 1775 CB LEU A 46 -11.505 27.129 -6.212 1.00 -0.02 C HETATM 1776 H10 LEU A 46 -11.711 26.341 -5.473 1.00 0.03 H HETATM 1777 H11 LEU A 46 -11.870 26.810 -7.199 1.00 0.03 H HETATM 1778 H12 LEU A 46 -12.018 28.055 -5.914 1.00 0.03 H HETATM 1779 H9 LEU A 46 -9.670 27.716 -5.292 1.00 0.08 H HETATM 1780 H8 LEU A 46 -10.468 28.802 -7.791 1.00 0.19 H HETATM 1781 CB LEU A 46 -7.475 29.506 -9.641 1.00 -0.00 C HETATM 1782 H5 LEU A 46 -7.941 28.618 -10.094 1.00 0.03 H HETATM 1783 H6 LEU A 46 -6.465 29.250 -9.287 1.00 0.03 H HETATM 1784 H7 LEU A 46 -7.409 30.308 -10.391 1.00 0.03 H HETATM 1785 H4 LEU A 46 -9.326 30.251 -8.832 1.00 0.11 H HETATM 1786 H1 LEU A 46 -7.653 31.909 -8.491 1.00 0.20 H HETATM 1787 H2 LEU A 46 -6.844 30.942 -7.433 1.00 0.20 H HETATM 1788 H3 LEU A 46 -8.356 31.480 -7.066 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 36 35 1608 CONECT 58 57 1608 CONECT 195 194 1609 CONECT 232 231 1609 CONECT 270 269 272 1608 CONECT 298 297 1608 CONECT 417 416 1609 CONECT 454 453 1609 CONECT 539 538 1610 CONECT 565 564 1610 CONECT 715 714 717 1610 CONECT 741 740 1610 CONECT 1038 1037 1611 CONECT 1068 1067 1611 CONECT 1212 1211 1612 CONECT 1259 1258 1612 CONECT 1314 1313 1316 1611 CONECT 1341 1340 1611 CONECT 1547 1546 1612 CONECT 1582 1581 1584 1612 CONECT 1608 36 58 270 298 CONECT 1609 195 232 417 454 CONECT 1610 539 565 715 741 CONECT 1611 1038 1068 1314 1341 CONECT 1612 1212 1259 1547 1582 CONECT 1653 1654 1786 1787 1788 CONECT 1654 1653 1655 1781 1785 CONECT 1655 1654 1656 1657 CONECT 1656 1655 CONECT 1657 1655 1658 1780 CONECT 1658 1657 1659 1775 1779 CONECT 1659 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 1662 1774 CONECT 1662 1661 1663 1765 1773 CONECT 1663 1662 1664 1665 CONECT 1664 1663 CONECT 1665 1663 1666 1764 CONECT 1666 1665 1667 1747 1763 CONECT 1667 1666 1668 1669 CONECT 1668 1667 CONECT 1669 1667 1670 1746 CONECT 1670 1669 1671 1741 1745 CONECT 1671 1670 1672 1673 CONECT 1672 1671 CONECT 1673 1671 1674 1740 CONECT 1674 1673 1675 1735 1739 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1734 CONECT 1678 1677 1679 1715 1733 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 1714 CONECT 1682 1681 1683 1697 1713 CONECT 1683 1682 1684 1685 CONECT 1684 1683 CONECT 1685 1683 1686 1696 CONECT 1686 1685 1687 1690 1695 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1687 CONECT 1690 1686 1691 1693 1694 CONECT 1691 1690 1692 CONECT 1692 1691 CONECT 1693 1690 CONECT 1694 1690 CONECT 1695 1686 CONECT 1696 1685 CONECT 1697 1682 1698 1711 1712 CONECT 1698 1697 1699 1709 1710 CONECT 1699 1698 1700 1707 1708 CONECT 1700 1699 1701 1705 1706 CONECT 1701 1700 1702 1703 1704 CONECT 1702 1701 CONECT 1703 1701 CONECT 1704 1701 CONECT 1705 1700 CONECT 1706 1700 CONECT 1707 1699 CONECT 1708 1699 CONECT 1709 1698 CONECT 1710 1698 CONECT 1711 1697 CONECT 1712 1697 CONECT 1713 1682 CONECT 1714 1681 CONECT 1715 1678 1716 1731 1732 CONECT 1716 1715 1717 1729 1730 CONECT 1717 1716 1718 1727 1728 CONECT 1718 1717 1719 1726 CONECT 1719 1718 1720 1723 CONECT 1720 1719 1721 1722 CONECT 1721 1720 CONECT 1722 1720 CONECT 1723 1719 1724 1725 CONECT 1724 1723 CONECT 1725 1723 CONECT 1726 1718 CONECT 1727 1717 CONECT 1728 1717 CONECT 1729 1716 CONECT 1730 1716 CONECT 1731 1715 CONECT 1732 1715 CONECT 1733 1678 CONECT 1734 1677 CONECT 1735 1674 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1739 1674 CONECT 1740 1673 CONECT 1741 1670 1742 1743 1744 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1741 CONECT 1745 1670 CONECT 1746 1669 CONECT 1747 1666 1748 1761 1762 CONECT 1748 1747 1749 1759 1760 CONECT 1749 1748 1750 1757 1758 CONECT 1750 1749 1751 1755 1756 CONECT 1751 1750 1752 1753 1754 CONECT 1752 1751 CONECT 1753 1751 CONECT 1754 1751 CONECT 1755 1750 CONECT 1756 1750 CONECT 1757 1749 CONECT 1758 1749 CONECT 1759 1748 CONECT 1760 1748 CONECT 1761 1747 CONECT 1762 1747 CONECT 1763 1666 CONECT 1764 1665 CONECT 1765 1662 1766 1768 1772 CONECT 1766 1765 1767 CONECT 1767 1766 CONECT 1768 1765 1769 1770 1771 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1768 CONECT 1772 1765 CONECT 1773 1662 CONECT 1774 1661 CONECT 1775 1658 1776 1777 1778 CONECT 1776 1775 CONECT 1777 1775 CONECT 1778 1775 CONECT 1779 1658 CONECT 1780 1657 CONECT 1781 1654 1782 1783 1784 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1781 CONECT 1785 1654 CONECT 1786 1653 CONECT 1787 1653 CONECT 1788 1653 MASTER 0 0 0 0 0 0 0 0 1787 1 165 14 END
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RCSB PDB
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RCSB PDB
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1h27
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11-mer
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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
1om2
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11-mer
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1qnh
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11-mer
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11-mer
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2jdl
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2jkt
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2ks9
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2ksa
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4b8o
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4e9c
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11-mer
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4ht6
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4htp
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4hyb
RCSB PDB
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4j7i
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4j8g
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4jjm
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4ln2
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4yy6
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PDBbind
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4yyi
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11-mer
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5a0e
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5agu
RCSB PDB
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11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
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11-mer
5awt
RCSB PDB
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5awu
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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
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11-mer
5ewz
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PDBbind
11-mer
5ez0
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PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
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PDBbind
11-mer
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RCSB PDB
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11-mer
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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
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
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Entry Information
PDB ID
5dah
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PZP domain of human AF10 protein
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
2.61(Å)
Affinity (Kd/Ki/IC50)
Kd=5uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cell Vol. 60: pp. 319-327
Ligand Properties
Formula
C
3
7
H
7
4
N
1
4
O
1
2
Molecular Weight
907.070
Exact Mass
906.561
No. of atoms
137
No. of bonds
136
Polar Surface Area
459.49
LOGP Value
-5.37 (
Computed with XLOGP3
)
-6.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C)CCCC[NH3+])C)C)CCC[NH+]=C(N)N)CCCC[NH3+]
InChI String
InChI=1S/C37H70N14O12/c1-18(40)28(54)44-21(4)31(57)51-27(22(5)53)35(61)49-23(11-6-8-14-38)32(58)46-19(2)29(55)45-20(3)30(56)47-25(13-10-16-43-37(41)42)33(59)48-24(12-7-9-15-39)34(60)50-26(17-52)36(62)63/h18-27,52-53H,6-17,38-40H2,1-5H3,(H,44,54)(H,45,55)(H,46,58)(H,47,56)(H,48,59)(H,49,61)(H,50,60)(H,51,57)(H,62,63)(H4,41,42,43)/p+4/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27-/m0/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P55197
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
8028
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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娌狪CP澶2021015625鍙-3
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