Browse entries in the PDBbind-CN Database
HEADER 1H1H_COMPLEX COMPND 1H1H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 MET ARG PRO PRO GLN PHE THR ARG ALA GLN TRP PHE ALA SEQRES 2 A 134 ILE GLN HIS ILE SER LEU ASN PRO PRO ARG CYS THR ILE SEQRES 3 A 134 ALA MET ARG ALA ILE ASN ASN TYR ARG TRP ARG CYS LYS SEQRES 4 A 134 ASN GLN ASN THR PHE LEU ARG THR THR PHE ALA ASN VAL SEQRES 5 A 134 VAL ASN VAL CYS GLY ASN GLN SER ILE ARG CYS PRO HIS SEQRES 6 A 134 ASN ARG THR LEU ASN ASN CYS HIS ARG SER ARG PHE ARG SEQRES 7 A 134 VAL PRO LEU LEU HIS CYS ASP LEU ILE ASN PRO GLY ALA SEQRES 8 A 134 GLN ASN ILE SER ASN CYS ARG TYR ALA ASP ARG PRO GLY SEQRES 9 A 134 ARG ARG PHE TYR VAL VAL ALA CYS ASP ASN ARG ASP PRO SEQRES 10 A 134 ARG ASP SER PRO ARG TYR PRO VAL VAL PRO VAL HIS LEU SEQRES 11 A 134 ASP THR THR ILE HET A A 2P 38 SSBOND 1 CYS A 62 CYS A 71 SSBOND 2 CYS A 23 CYS A 83 SSBOND 3 CYS A 37 CYS A 96 SSBOND 4 CYS A 55 CYS A 111 ATOM 1 N MET A 0 25.567 44.724 -0.134 1.00 58.16 N ATOM 2 CA MET A 0 26.128 43.394 0.236 1.00 58.36 C ATOM 3 C MET A 0 25.305 42.688 1.305 1.00 56.21 C ATOM 4 O MET A 0 25.115 43.211 2.405 1.00 55.81 O ATOM 5 CB MET A 0 27.564 43.547 0.744 1.00 60.65 C ATOM 6 CG MET A 0 28.620 43.641 -0.342 1.00 65.50 C ATOM 7 SD MET A 0 28.997 42.040 -1.079 1.00 71.12 S ATOM 8 CE MET A 0 30.203 41.387 0.100 1.00 66.94 C ATOM 9 HA MET A 0 26.104 42.785 -0.668 1.00 0.00 H ATOM 10 HB2 MET A 0 27.616 44.454 1.346 1.00 0.00 H ATOM 11 HB3 MET A 0 27.796 42.684 1.369 1.00 0.00 H ATOM 12 HG2 MET A 0 29.532 44.050 0.092 1.00 0.00 H ATOM 13 HG3 MET A 0 28.259 44.310 -1.124 1.00 0.00 H ATOM 14 HE1 MET A 0 31.062 42.056 0.147 1.00 0.00 H ATOM 15 HE2 MET A 0 29.743 41.314 1.085 1.00 0.00 H ATOM 16 HE3 MET A 0 30.528 40.399 -0.225 1.00 0.00 H ATOM 17 HN3 MET A 0 25.544 45.335 0.707 1.00 0.00 H ATOM 18 HN2 MET A 0 24.602 44.602 -0.502 1.00 0.00 H ATOM 19 HN1 MET A 0 26.165 45.160 -0.864 1.00 0.00 H ATOM 20 N ARG A 1 24.811 41.500 0.974 1.00 53.40 N ATOM 21 CA ARG A 1 24.044 40.708 1.925 1.00 51.02 C ATOM 22 C ARG A 1 25.039 40.025 2.853 1.00 50.58 C ATOM 23 O ARG A 1 26.050 39.490 2.398 1.00 50.28 O ATOM 24 CB ARG A 1 23.224 39.633 1.201 1.00 50.52 C ATOM 25 CG ARG A 1 22.826 38.445 2.085 1.00 49.25 C ATOM 26 CD ARG A 1 21.976 37.430 1.325 1.00 50.33 C ATOM 27 NE ARG A 1 22.643 36.925 0.127 1.00 50.41 N ATOM 28 CZ ARG A 1 23.631 36.035 0.128 1.00 51.43 C ATOM 29 NH1 ARG A 1 24.171 35.647 -1.020 1.00 51.85 N ATOM 30 NH2 ARG A 1 24.073 35.522 1.271 1.00 51.83 N ATOM 31 HA ARG A 1 23.357 41.352 2.474 1.00 0.00 H ATOM 32 HB2 ARG A 1 22.314 40.096 0.820 1.00 0.00 H ATOM 33 HB3 ARG A 1 23.815 39.256 0.367 1.00 0.00 H ATOM 34 HG2 ARG A 1 23.730 37.952 2.441 1.00 0.00 H ATOM 35 HG3 ARG A 1 22.256 38.815 2.937 1.00 0.00 H ATOM 36 HD2 ARG A 1 21.042 37.908 1.030 1.00 0.00 H ATOM 37 HD3 ARG A 1 21.760 36.590 1.985 1.00 0.00 H ATOM 38 HE ARG A 1 22.322 37.288 -0.793 1.00 0.00 H ATOM 39 HH12 ARG A 1 24.944 34.951 -1.022 1.00 0.00 H ATOM 40 HH11 ARG A 1 23.821 36.039 -1.918 1.00 0.00 H ATOM 41 HH22 ARG A 1 24.846 34.826 1.264 1.00 0.00 H ATOM 42 HH21 ARG A 1 23.646 35.816 2.173 1.00 0.00 H ATOM 43 H ARG A 1 24.975 41.128 0.017 1.00 0.00 H ATOM 44 N PRO A 2 24.784 40.055 4.170 1.00 50.15 N ATOM 45 CA PRO A 2 25.715 39.396 5.091 1.00 49.73 C ATOM 46 C PRO A 2 25.694 37.883 4.842 1.00 49.85 C ATOM 47 O PRO A 2 24.633 37.259 4.833 1.00 49.01 O ATOM 48 CB PRO A 2 25.184 39.793 6.473 1.00 49.73 C ATOM 49 CG PRO A 2 23.736 40.111 6.224 1.00 50.71 C ATOM 50 CD PRO A 2 23.763 40.821 4.902 1.00 50.12 C ATOM 51 HA PRO A 2 26.759 39.688 4.975 1.00 0.00 H ATOM 52 HD3 PRO A 2 22.795 40.770 4.404 1.00 0.00 H ATOM 53 HD2 PRO A 2 24.056 41.864 5.017 1.00 0.00 H ATOM 54 HG3 PRO A 2 23.337 40.756 7.007 1.00 0.00 H ATOM 55 HG2 PRO A 2 23.140 39.200 6.167 1.00 0.00 H ATOM 56 HB2 PRO A 2 25.285 38.969 7.179 1.00 0.00 H ATOM 57 HB3 PRO A 2 25.713 40.665 6.857 1.00 0.00 H ATOM 58 N PRO A 3 26.875 37.281 4.628 1.00 50.00 N ATOM 59 CA PRO A 3 27.049 35.847 4.364 1.00 49.72 C ATOM 60 C PRO A 3 26.324 34.854 5.274 1.00 48.87 C ATOM 61 O PRO A 3 25.973 33.758 4.838 1.00 49.60 O ATOM 62 CB PRO A 3 28.572 35.673 4.393 1.00 51.52 C ATOM 63 CG PRO A 3 29.047 36.819 5.240 1.00 50.65 C ATOM 64 CD PRO A 3 28.184 37.942 4.756 1.00 50.72 C ATOM 65 HA PRO A 3 26.571 35.592 3.418 1.00 0.00 H ATOM 66 HD3 PRO A 3 28.149 38.756 5.480 1.00 0.00 H ATOM 67 HD2 PRO A 3 28.531 38.325 3.796 1.00 0.00 H ATOM 68 HG3 PRO A 3 30.103 37.028 5.068 1.00 0.00 H ATOM 69 HG2 PRO A 3 28.885 36.623 6.300 1.00 0.00 H ATOM 70 HB2 PRO A 3 28.846 34.718 4.842 1.00 0.00 H ATOM 71 HB3 PRO A 3 28.989 35.733 3.388 1.00 0.00 H ATOM 72 N GLN A 4 26.089 35.228 6.526 1.00 47.35 N ATOM 73 CA GLN A 4 25.407 34.339 7.459 1.00 46.14 C ATOM 74 C GLN A 4 23.931 34.093 7.125 1.00 44.45 C ATOM 75 O GLN A 4 23.316 33.173 7.671 1.00 44.70 O ATOM 76 CB GLN A 4 25.519 34.893 8.880 1.00 49.56 C ATOM 77 CG GLN A 4 25.036 36.323 9.024 1.00 53.09 C ATOM 78 CD GLN A 4 26.172 37.318 9.132 1.00 56.74 C ATOM 79 OE1 GLN A 4 27.002 37.446 8.226 1.00 57.95 O ATOM 80 NE2 GLN A 4 26.216 38.034 10.250 1.00 58.32 N ATOM 81 HA GLN A 4 25.908 33.375 7.374 1.00 0.00 H ATOM 82 HB2 GLN A 4 24.926 34.262 9.542 1.00 0.00 H ATOM 83 HB3 GLN A 4 26.565 34.852 9.183 1.00 0.00 H ATOM 84 HG2 GLN A 4 24.432 36.576 8.153 1.00 0.00 H ATOM 85 HG3 GLN A 4 24.423 36.395 9.922 1.00 0.00 H ATOM 86 HE22 GLN A 4 25.496 37.893 10.987 1.00 0.00 H ATOM 87 HE21 GLN A 4 26.971 38.736 10.389 1.00 0.00 H ATOM 88 H GLN A 4 26.396 36.169 6.846 1.00 0.00 H ATOM 89 N PHE A 5 23.363 34.910 6.240 1.00 41.01 N ATOM 90 CA PHE A 5 21.955 34.766 5.851 1.00 38.78 C ATOM 91 C PHE A 5 21.821 34.347 4.392 1.00 36.46 C ATOM 92 O PHE A 5 22.568 34.823 3.536 1.00 35.99 O ATOM 93 CB PHE A 5 21.197 36.088 6.027 1.00 39.22 C ATOM 94 CG PHE A 5 21.257 36.654 7.416 1.00 42.19 C ATOM 95 CD1 PHE A 5 21.874 37.879 7.651 1.00 44.47 C ATOM 96 CD2 PHE A 5 20.699 35.970 8.489 1.00 44.14 C ATOM 97 CE1 PHE A 5 21.935 38.415 8.940 1.00 46.45 C ATOM 98 CE2 PHE A 5 20.755 36.496 9.783 1.00 44.45 C ATOM 99 CZ PHE A 5 21.373 37.719 10.008 1.00 44.88 C ATOM 100 HA PHE A 5 21.532 33.998 6.499 1.00 0.00 H ATOM 101 HB2 PHE A 5 21.623 36.820 5.341 1.00 0.00 H ATOM 102 HB3 PHE A 5 20.151 35.919 5.772 1.00 0.00 H ATOM 103 HD2 PHE A 5 20.211 35.010 8.319 1.00 0.00 H ATOM 104 HE2 PHE A 5 20.314 35.947 10.615 1.00 0.00 H ATOM 105 HZ PHE A 5 21.418 38.133 11.016 1.00 0.00 H ATOM 106 HE1 PHE A 5 22.421 39.376 9.110 1.00 0.00 H ATOM 107 HD1 PHE A 5 22.315 38.427 6.819 1.00 0.00 H ATOM 108 H PHE A 5 23.931 35.669 5.814 1.00 0.00 H ATOM 109 N THR A 6 20.873 33.459 4.108 1.00 34.39 N ATOM 110 CA THR A 6 20.646 33.032 2.731 1.00 33.94 C ATOM 111 C THR A 6 19.915 34.178 2.030 1.00 33.79 C ATOM 112 O THR A 6 19.503 35.144 2.684 1.00 31.01 O ATOM 113 CB THR A 6 19.759 31.782 2.655 1.00 34.68 C ATOM 114 OG1 THR A 6 18.435 32.107 3.095 1.00 35.48 O ATOM 115 CG2 THR A 6 20.329 30.666 3.529 1.00 35.81 C ATOM 116 HA THR A 6 21.603 32.790 2.268 1.00 0.00 H ATOM 117 HB THR A 6 19.729 31.436 1.622 1.00 0.00 H ATOM 118 HG1 THR A 6 17.864 31.299 3.045 1.00 0.00 H ATOM 119 HG23 THR A 6 21.336 30.421 3.192 1.00 0.00 H ATOM 120 HG21 THR A 6 20.363 31.000 4.566 1.00 0.00 H ATOM 121 HG22 THR A 6 19.693 29.784 3.450 1.00 0.00 H ATOM 122 H THR A 6 20.289 33.066 4.873 1.00 0.00 H ATOM 123 N ARG A 7 19.758 34.080 0.713 1.00 32.23 N ATOM 124 CA ARG A 7 19.064 35.124 -0.035 1.00 32.13 C ATOM 125 C ARG A 7 17.603 35.241 0.418 1.00 30.59 C ATOM 126 O ARG A 7 17.076 36.343 0.547 1.00 29.44 O ATOM 127 CB ARG A 7 19.132 34.846 -1.544 1.00 31.90 C ATOM 128 CG ARG A 7 20.514 35.083 -2.160 1.00 38.28 C ATOM 129 CD ARG A 7 20.477 35.024 -3.690 1.00 40.32 C ATOM 130 NE ARG A 7 20.065 33.709 -4.171 1.00 43.32 N ATOM 131 CZ ARG A 7 19.756 33.421 -5.433 1.00 42.79 C ATOM 132 NH1 ARG A 7 19.803 34.357 -6.376 1.00 40.79 N ATOM 133 NH2 ARG A 7 19.402 32.185 -5.752 1.00 43.83 N ATOM 134 HA ARG A 7 19.564 36.071 0.167 1.00 0.00 H ATOM 135 HB2 ARG A 7 18.855 33.806 -1.714 1.00 0.00 H ATOM 136 HB3 ARG A 7 18.417 35.498 -2.045 1.00 0.00 H ATOM 137 HG2 ARG A 7 20.872 36.066 -1.854 1.00 0.00 H ATOM 138 HG3 ARG A 7 21.199 34.318 -1.794 1.00 0.00 H ATOM 139 HD2 ARG A 7 21.472 35.246 -4.076 1.00 0.00 H ATOM 140 HD3 ARG A 7 19.772 35.771 -4.055 1.00 0.00 H ATOM 141 HE ARG A 7 20.009 32.939 -3.475 1.00 0.00 H ATOM 142 HH12 ARG A 7 19.559 34.118 -7.358 1.00 0.00 H ATOM 143 HH11 ARG A 7 20.084 35.328 -6.131 1.00 0.00 H ATOM 144 HH22 ARG A 7 19.159 31.951 -6.736 1.00 0.00 H ATOM 145 HH21 ARG A 7 19.367 31.448 -5.019 1.00 0.00 H ATOM 146 H ARG A 7 20.134 33.251 0.211 1.00 0.00 H ATOM 147 N ALA A 8 16.960 34.105 0.674 1.00 30.09 N ATOM 148 CA ALA A 8 15.565 34.089 1.117 1.00 30.08 C ATOM 149 C ALA A 8 15.391 34.698 2.509 1.00 31.37 C ATOM 150 O ALA A 8 14.418 35.404 2.771 1.00 30.58 O ATOM 151 CB ALA A 8 15.041 32.665 1.112 1.00 33.12 C ATOM 152 HA ALA A 8 14.994 34.701 0.419 1.00 0.00 H ATOM 153 HB1 ALA A 8 15.104 32.260 0.102 1.00 0.00 H ATOM 154 HB2 ALA A 8 15.642 32.056 1.788 1.00 0.00 H ATOM 155 HB3 ALA A 8 14.002 32.660 1.443 1.00 0.00 H ATOM 156 H ALA A 8 17.463 33.202 0.556 1.00 0.00 H ATOM 157 N GLN A 9 16.325 34.409 3.411 1.00 31.00 N ATOM 158 CA GLN A 9 16.247 34.949 4.764 1.00 30.54 C ATOM 159 C GLN A 9 16.447 36.468 4.768 1.00 28.03 C ATOM 160 O GLN A 9 15.759 37.184 5.486 1.00 29.32 O ATOM 161 CB GLN A 9 17.292 34.282 5.665 1.00 33.62 C ATOM 162 CG GLN A 9 17.142 32.769 5.762 1.00 38.28 C ATOM 163 CD GLN A 9 18.153 32.131 6.704 1.00 41.78 C ATOM 164 OE1 GLN A 9 19.362 32.357 6.594 1.00 42.20 O ATOM 165 NE2 GLN A 9 17.660 31.322 7.632 1.00 44.11 N ATOM 166 HA GLN A 9 15.251 34.735 5.152 1.00 0.00 H ATOM 167 HB2 GLN A 9 18.282 34.505 5.267 1.00 0.00 H ATOM 168 HB3 GLN A 9 17.201 34.702 6.667 1.00 0.00 H ATOM 169 HG2 GLN A 9 16.139 32.541 6.123 1.00 0.00 H ATOM 170 HG3 GLN A 9 17.275 32.342 4.768 1.00 0.00 H ATOM 171 HE22 GLN A 9 16.634 31.160 7.689 1.00 0.00 H ATOM 172 HE21 GLN A 9 18.299 30.850 8.303 1.00 0.00 H ATOM 173 H GLN A 9 17.120 33.791 3.149 1.00 0.00 H ATOM 174 N TRP A 10 17.386 36.955 3.966 1.00 25.44 N ATOM 175 CA TRP A 10 17.650 38.387 3.895 1.00 27.15 C ATOM 176 C TRP A 10 16.450 39.108 3.257 1.00 27.87 C ATOM 177 O TRP A 10 16.158 40.263 3.591 1.00 25.77 O ATOM 178 CB TRP A 10 18.929 38.637 3.083 1.00 30.22 C ATOM 179 CG TRP A 10 19.474 40.040 3.169 1.00 28.97 C ATOM 180 CD1 TRP A 10 19.790 40.856 2.120 1.00 32.34 C ATOM 181 CD2 TRP A 10 19.791 40.780 4.358 1.00 30.07 C ATOM 182 NE1 TRP A 10 20.281 42.054 2.577 1.00 30.58 N ATOM 183 CE2 TRP A 10 20.293 42.036 3.946 1.00 31.59 C ATOM 184 CE3 TRP A 10 19.702 40.504 5.728 1.00 32.11 C ATOM 185 CZ2 TRP A 10 20.707 43.017 4.858 1.00 33.92 C ATOM 186 CZ3 TRP A 10 20.113 41.479 6.639 1.00 33.32 C ATOM 187 CH2 TRP A 10 20.609 42.720 6.197 1.00 35.05 C ATOM 188 HA TRP A 10 17.794 38.781 4.901 1.00 0.00 H ATOM 189 HB2 TRP A 10 19.697 37.953 3.443 1.00 0.00 H ATOM 190 HB3 TRP A 10 18.713 38.421 2.037 1.00 0.00 H ATOM 191 HE1 TRP A 10 20.593 42.846 1.980 1.00 0.00 H ATOM 192 HD1 TRP A 10 19.669 40.593 1.069 1.00 0.00 H ATOM 193 HZ2 TRP A 10 21.092 43.979 4.519 1.00 0.00 H ATOM 194 HH2 TRP A 10 20.922 43.462 6.932 1.00 0.00 H ATOM 195 HZ3 TRP A 10 20.049 41.276 7.708 1.00 0.00 H ATOM 196 HE3 TRP A 10 19.319 39.545 6.077 1.00 0.00 H ATOM 197 H TRP A 10 17.943 36.303 3.378 1.00 0.00 H ATOM 198 N PHE A 11 15.761 38.425 2.343 1.00 27.27 N ATOM 199 CA PHE A 11 14.576 38.990 1.682 1.00 27.41 C ATOM 200 C PHE A 11 13.477 39.202 2.722 1.00 26.81 C ATOM 201 O PHE A 11 12.855 40.261 2.769 1.00 27.18 O ATOM 202 CB PHE A 11 14.052 38.045 0.588 1.00 26.64 C ATOM 203 CG PHE A 11 12.736 38.489 -0.028 1.00 28.09 C ATOM 204 CD1 PHE A 11 12.706 39.463 -1.028 1.00 28.35 C ATOM 205 CD2 PHE A 11 11.529 37.954 0.420 1.00 26.75 C ATOM 206 CE1 PHE A 11 11.493 39.901 -1.572 1.00 29.15 C ATOM 207 CE2 PHE A 11 10.306 38.381 -0.113 1.00 28.05 C ATOM 208 CZ PHE A 11 10.286 39.358 -1.113 1.00 29.33 C ATOM 209 HA PHE A 11 14.856 39.937 1.221 1.00 0.00 H ATOM 210 HB2 PHE A 11 14.800 37.987 -0.203 1.00 0.00 H ATOM 211 HB3 PHE A 11 13.911 37.057 1.026 1.00 0.00 H ATOM 212 HD2 PHE A 11 11.537 37.191 1.198 1.00 0.00 H ATOM 213 HE2 PHE A 11 9.372 37.953 0.251 1.00 0.00 H ATOM 214 HZ PHE A 11 9.338 39.695 -1.532 1.00 0.00 H ATOM 215 HE1 PHE A 11 11.488 40.663 -2.351 1.00 0.00 H ATOM 216 HD1 PHE A 11 13.642 39.889 -1.391 1.00 0.00 H ATOM 217 H PHE A 11 16.071 37.465 2.090 1.00 0.00 H ATOM 218 N ALA A 12 13.241 38.186 3.551 1.00 25.30 N ATOM 219 CA ALA A 12 12.213 38.266 4.590 1.00 25.31 C ATOM 220 C ALA A 12 12.550 39.358 5.606 1.00 24.58 C ATOM 221 O ALA A 12 11.675 40.115 6.034 1.00 27.36 O ATOM 222 CB ALA A 12 12.072 36.918 5.299 1.00 22.43 C ATOM 223 HA ALA A 12 11.266 38.519 4.113 1.00 0.00 H ATOM 224 HB1 ALA A 12 11.788 36.155 4.574 1.00 0.00 H ATOM 225 HB2 ALA A 12 13.023 36.649 5.758 1.00 0.00 H ATOM 226 HB3 ALA A 12 11.304 36.992 6.069 1.00 0.00 H ATOM 227 H ALA A 12 13.801 37.315 3.458 1.00 0.00 H ATOM 228 N ILE A 13 13.820 39.431 5.996 1.00 26.10 N ATOM 229 CA ILE A 13 14.275 40.434 6.955 1.00 25.77 C ATOM 230 C ILE A 13 14.052 41.851 6.404 1.00 27.74 C ATOM 231 O ILE A 13 13.560 42.733 7.112 1.00 27.05 O ATOM 232 CB ILE A 13 15.783 40.227 7.287 1.00 27.00 C ATOM 233 CG1 ILE A 13 15.962 38.959 8.135 1.00 30.79 C ATOM 234 CG2 ILE A 13 16.344 41.430 8.034 1.00 27.53 C ATOM 235 CD1 ILE A 13 17.422 38.577 8.375 1.00 28.58 C ATOM 236 HA ILE A 13 13.693 40.317 7.869 1.00 0.00 H ATOM 237 HB ILE A 13 16.329 40.117 6.350 1.00 0.00 H ATOM 238 HG12 ILE A 13 15.486 39.122 9.102 1.00 0.00 H ATOM 239 HG13 ILE A 13 15.470 38.132 7.624 1.00 0.00 H ATOM 240 HD11 ILE A 13 17.911 38.398 7.418 1.00 0.00 H ATOM 241 HD12 ILE A 13 17.928 39.389 8.897 1.00 0.00 H ATOM 242 HD13 ILE A 13 17.465 37.672 8.981 1.00 0.00 H ATOM 243 HG21 ILE A 13 16.239 42.321 7.415 1.00 0.00 H ATOM 244 HG22 ILE A 13 15.795 41.566 8.965 1.00 0.00 H ATOM 245 HG23 ILE A 13 17.398 41.260 8.254 1.00 0.00 H ATOM 246 H ILE A 13 14.508 38.755 5.607 1.00 0.00 H ATOM 247 N GLN A 14 14.398 42.063 5.138 1.00 24.32 N ATOM 248 CA GLN A 14 14.240 43.384 4.532 1.00 24.61 C ATOM 249 C GLN A 14 12.850 43.741 4.012 1.00 25.56 C ATOM 250 O GLN A 14 12.483 44.917 4.010 1.00 28.00 O ATOM 251 CB GLN A 14 15.197 43.561 3.342 1.00 26.31 C ATOM 252 CG GLN A 14 16.683 43.561 3.639 1.00 29.25 C ATOM 253 CD GLN A 14 17.474 44.285 2.556 1.00 31.31 C ATOM 254 OE1 GLN A 14 17.988 45.386 2.774 1.00 32.22 O ATOM 255 NE2 GLN A 14 17.558 43.678 1.377 1.00 29.23 N ATOM 256 HA GLN A 14 14.455 44.047 5.370 1.00 0.00 H ATOM 257 HB2 GLN A 14 15.003 42.749 2.642 1.00 0.00 H ATOM 258 HB3 GLN A 14 14.958 44.513 2.868 1.00 0.00 H ATOM 259 HG2 GLN A 14 16.853 44.059 4.594 1.00 0.00 H ATOM 260 HG3 GLN A 14 17.031 42.530 3.702 1.00 0.00 H ATOM 261 HE22 GLN A 14 17.110 42.750 1.237 1.00 0.00 H ATOM 262 HE21 GLN A 14 18.072 44.131 0.594 1.00 0.00 H ATOM 263 H GLN A 14 14.785 41.281 4.573 1.00 0.00 H ATOM 264 N HIS A 15 12.075 42.753 3.569 1.00 24.03 N ATOM 265 CA HIS A 15 10.791 43.070 2.942 1.00 26.22 C ATOM 266 C HIS A 15 9.487 42.421 3.415 1.00 25.63 C ATOM 267 O HIS A 15 8.441 42.679 2.823 1.00 27.47 O ATOM 268 CB HIS A 15 10.906 42.828 1.429 1.00 24.44 C ATOM 269 CG HIS A 15 12.060 43.528 0.776 1.00 23.71 C ATOM 270 ND1 HIS A 15 12.143 44.900 0.673 1.00 24.68 N ATOM 271 CD2 HIS A 15 13.182 43.040 0.190 1.00 25.37 C ATOM 272 CE1 HIS A 15 13.268 45.227 0.057 1.00 25.35 C ATOM 273 NE2 HIS A 15 13.916 44.116 -0.245 1.00 24.44 N ATOM 274 HA HIS A 15 10.661 44.104 3.263 1.00 0.00 H ATOM 275 HB2 HIS A 15 11.018 41.757 1.262 1.00 0.00 H ATOM 276 HB3 HIS A 15 9.986 43.173 0.957 1.00 0.00 H ATOM 277 HD2 HIS A 15 13.451 41.989 0.084 1.00 0.00 H ATOM 278 HE1 HIS A 15 13.603 46.241 -0.164 1.00 0.00 H ATOM 279 H HIS A 15 12.380 41.764 3.668 1.00 0.00 H ATOM 280 N ILE A 16 9.514 41.582 4.444 1.00 25.34 N ATOM 281 CA ILE A 16 8.264 40.964 4.896 1.00 26.34 C ATOM 282 C ILE A 16 7.933 41.308 6.341 1.00 26.75 C ATOM 283 O ILE A 16 8.709 41.012 7.241 1.00 28.12 O ATOM 284 CB ILE A 16 8.307 39.415 4.812 1.00 28.62 C ATOM 285 CG1 ILE A 16 8.589 38.951 3.382 1.00 29.02 C ATOM 286 CG2 ILE A 16 6.970 38.840 5.305 1.00 29.40 C ATOM 287 CD1 ILE A 16 7.413 39.089 2.449 1.00 37.14 C ATOM 288 HA ILE A 16 7.505 41.365 4.224 1.00 0.00 H ATOM 289 HB ILE A 16 9.115 39.052 5.446 1.00 0.00 H ATOM 290 HG12 ILE A 16 9.413 39.544 2.985 1.00 0.00 H ATOM 291 HG13 ILE A 16 8.881 37.901 3.413 1.00 0.00 H ATOM 292 HD11 ILE A 16 6.582 38.492 2.823 1.00 0.00 H ATOM 293 HD12 ILE A 16 7.115 40.136 2.395 1.00 0.00 H ATOM 294 HD13 ILE A 16 7.695 38.739 1.456 1.00 0.00 H ATOM 295 HG21 ILE A 16 6.804 39.145 6.338 1.00 0.00 H ATOM 296 HG22 ILE A 16 6.161 39.217 4.679 1.00 0.00 H ATOM 297 HG23 ILE A 16 7.000 37.752 5.246 1.00 0.00 H ATOM 298 H ILE A 16 10.411 41.366 4.923 1.00 0.00 H ATOM 299 N SER A 17 6.779 41.923 6.566 1.00 27.65 N ATOM 300 CA SER A 17 6.355 42.254 7.923 1.00 28.62 C ATOM 301 C SER A 17 4.867 42.587 7.961 1.00 29.07 C ATOM 302 O SER A 17 4.436 43.608 7.432 1.00 29.34 O ATOM 303 CB SER A 17 7.158 43.433 8.479 1.00 29.02 C ATOM 304 OG SER A 17 6.762 43.719 9.813 1.00 30.05 O ATOM 305 HA SER A 17 6.540 41.379 8.546 1.00 0.00 H ATOM 306 HB2 SER A 17 6.984 44.311 7.857 1.00 0.00 H ATOM 307 HB3 SER A 17 8.219 43.183 8.465 1.00 0.00 H ATOM 308 HG SER A 17 7.290 44.483 10.156 1.00 0.00 H ATOM 309 H SER A 17 6.167 42.173 5.763 1.00 0.00 H ATOM 310 N LEU A 18 4.092 41.724 8.606 1.00 30.61 N ATOM 311 CA LEU A 18 2.647 41.907 8.713 1.00 32.60 C ATOM 312 C LEU A 18 2.272 43.151 9.529 1.00 33.13 C ATOM 313 O LEU A 18 1.382 43.914 9.147 1.00 33.86 O ATOM 314 CB LEU A 18 2.024 40.660 9.346 1.00 32.86 C ATOM 315 CG LEU A 18 0.526 40.428 9.137 1.00 34.84 C ATOM 316 CD1 LEU A 18 0.213 40.356 7.645 1.00 34.24 C ATOM 317 CD2 LEU A 18 0.122 39.131 9.822 1.00 36.25 C ATOM 318 HA LEU A 18 2.257 42.056 7.706 1.00 0.00 H ATOM 319 HB2 LEU A 18 2.547 39.794 8.942 1.00 0.00 H ATOM 320 HB3 LEU A 18 2.198 40.719 10.420 1.00 0.00 H ATOM 321 HG LEU A 18 -0.036 41.256 9.569 1.00 0.00 H ATOM 322 HD21 LEU A 18 0.685 38.303 9.391 1.00 0.00 H ATOM 323 HD22 LEU A 18 0.337 39.202 10.888 1.00 0.00 H ATOM 324 HD23 LEU A 18 -0.945 38.961 9.676 1.00 0.00 H ATOM 325 HD11 LEU A 18 0.502 41.293 7.169 1.00 0.00 H ATOM 326 HD12 LEU A 18 0.770 39.533 7.197 1.00 0.00 H ATOM 327 HD13 LEU A 18 -0.855 40.191 7.507 1.00 0.00 H ATOM 328 H LEU A 18 4.528 40.890 9.050 1.00 0.00 H ATOM 329 N ASN A 19 2.946 43.339 10.657 1.00 32.75 N ATOM 330 CA ASN A 19 2.702 44.478 11.537 1.00 34.19 C ATOM 331 C ASN A 19 4.035 45.099 11.941 1.00 35.06 C ATOM 332 O ASN A 19 4.538 44.858 13.038 1.00 33.66 O ATOM 333 CB ASN A 19 1.947 44.022 12.785 1.00 36.10 C ATOM 334 CG ASN A 19 0.551 43.537 12.467 1.00 38.76 C ATOM 335 OD1 ASN A 19 -0.301 44.316 12.032 1.00 41.98 O ATOM 336 ND2 ASN A 19 0.308 42.245 12.669 1.00 40.03 N ATOM 337 HA ASN A 19 2.099 45.217 11.010 1.00 0.00 H ATOM 338 HB2 ASN A 19 2.502 43.209 13.253 1.00 0.00 H ATOM 339 HB3 ASN A 19 1.878 44.860 13.479 1.00 0.00 H ATOM 340 HD22 ASN A 19 1.058 41.626 13.038 1.00 0.00 H ATOM 341 HD21 ASN A 19 -0.632 41.854 12.458 1.00 0.00 H ATOM 342 H ASN A 19 3.676 42.648 10.924 1.00 0.00 H ATOM 343 N PRO A 20 4.623 45.915 11.052 1.00 35.54 N ATOM 344 CA PRO A 20 5.906 46.574 11.302 1.00 34.57 C ATOM 345 C PRO A 20 5.850 47.692 12.333 1.00 34.92 C ATOM 346 O PRO A 20 4.814 48.316 12.532 1.00 31.34 O ATOM 347 CB PRO A 20 6.288 47.145 9.932 1.00 34.82 C ATOM 348 CG PRO A 20 5.365 46.467 8.952 1.00 38.92 C ATOM 349 CD PRO A 20 4.103 46.280 9.725 1.00 35.52 C ATOM 350 HA PRO A 20 6.622 45.866 11.719 1.00 0.00 H ATOM 351 HD3 PRO A 20 3.520 47.200 9.765 1.00 0.00 H ATOM 352 HD2 PRO A 20 3.492 45.482 9.303 1.00 0.00 H ATOM 353 HG3 PRO A 20 5.772 45.507 8.634 1.00 0.00 H ATOM 354 HG2 PRO A 20 5.196 47.096 8.078 1.00 0.00 H ATOM 355 HB2 PRO A 20 6.141 48.225 9.913 1.00 0.00 H ATOM 356 HB3 PRO A 20 7.328 46.917 9.699 1.00 0.00 H ATOM 357 N PRO A 21 6.974 47.939 13.025 1.00 35.39 N ATOM 358 CA PRO A 21 6.996 49.020 14.014 1.00 34.92 C ATOM 359 C PRO A 21 7.383 50.254 13.189 1.00 34.22 C ATOM 360 O PRO A 21 7.483 50.161 11.962 1.00 32.47 O ATOM 361 CB PRO A 21 8.108 48.589 14.968 1.00 35.22 C ATOM 362 CG PRO A 21 9.075 47.912 14.053 1.00 35.59 C ATOM 363 CD PRO A 21 8.167 47.082 13.153 1.00 34.89 C ATOM 364 HA PRO A 21 6.082 49.224 14.571 1.00 0.00 H ATOM 365 HD3 PRO A 21 8.630 46.904 12.183 1.00 0.00 H ATOM 366 HD2 PRO A 21 7.919 46.127 13.617 1.00 0.00 H ATOM 367 HG3 PRO A 21 9.763 47.276 14.610 1.00 0.00 H ATOM 368 HG2 PRO A 21 9.643 48.640 13.474 1.00 0.00 H ATOM 369 HB2 PRO A 21 8.564 49.450 15.456 1.00 0.00 H ATOM 370 HB3 PRO A 21 7.733 47.900 15.725 1.00 0.00 H ATOM 371 N ARG A 22 7.596 51.392 13.835 1.00 32.93 N ATOM 372 CA ARG A 22 7.994 52.594 13.111 1.00 34.44 C ATOM 373 C ARG A 22 9.225 52.266 12.263 1.00 32.55 C ATOM 374 O ARG A 22 10.046 51.432 12.649 1.00 30.90 O ATOM 375 CB ARG A 22 8.347 53.717 14.088 1.00 39.79 C ATOM 376 CG ARG A 22 7.197 54.184 14.957 1.00 46.45 C ATOM 377 CD ARG A 22 7.600 55.403 15.776 1.00 51.24 C ATOM 378 NE ARG A 22 8.888 55.218 16.448 1.00 56.72 N ATOM 379 CZ ARG A 22 9.990 55.907 16.156 1.00 58.66 C ATOM 380 NH1 ARG A 22 9.966 56.833 15.203 1.00 59.57 N ATOM 381 NH2 ARG A 22 11.117 55.674 16.817 1.00 58.09 N ATOM 382 HA ARG A 22 7.168 52.924 12.481 1.00 0.00 H ATOM 383 HB2 ARG A 22 9.144 53.361 14.741 1.00 0.00 H ATOM 384 HB3 ARG A 22 8.705 54.570 13.511 1.00 0.00 H ATOM 385 HG2 ARG A 22 6.351 54.444 14.321 1.00 0.00 H ATOM 386 HG3 ARG A 22 6.909 53.378 15.632 1.00 0.00 H ATOM 387 HD2 ARG A 22 6.834 55.589 16.529 1.00 0.00 H ATOM 388 HD3 ARG A 22 7.671 56.264 15.112 1.00 0.00 H ATOM 389 HE ARG A 22 8.946 54.503 17.201 1.00 0.00 H ATOM 390 HH12 ARG A 22 10.828 57.369 14.977 1.00 0.00 H ATOM 391 HH11 ARG A 22 9.085 57.021 14.683 1.00 0.00 H ATOM 392 HH22 ARG A 22 11.976 56.213 16.587 1.00 0.00 H ATOM 393 HH21 ARG A 22 11.141 54.952 17.565 1.00 0.00 H ATOM 394 H ARG A 22 7.478 51.428 14.868 1.00 0.00 H ATOM 395 N CYS A 23 9.355 52.927 11.118 1.00 30.78 N ATOM 396 CA CYS A 23 10.484 52.687 10.222 1.00 29.84 C ATOM 397 C CYS A 23 11.844 52.914 10.879 1.00 30.95 C ATOM 398 O CYS A 23 12.773 52.136 10.675 1.00 30.27 O ATOM 399 CB CYS A 23 10.370 53.572 8.984 1.00 27.40 C ATOM 400 SG CYS A 23 9.174 53.013 7.721 1.00 27.54 S ATOM 401 HA CYS A 23 10.433 51.633 9.948 1.00 0.00 H ATOM 402 HB2 CYS A 23 11.353 53.623 8.516 1.00 0.00 H ATOM 403 HB3 CYS A 23 10.072 54.569 9.310 1.00 0.00 H ATOM 404 H CYS A 23 8.637 53.631 10.853 1.00 0.00 H ATOM 405 N THR A 24 11.966 53.977 11.666 1.00 30.95 N ATOM 406 CA THR A 24 13.236 54.267 12.313 1.00 31.93 C ATOM 407 C THR A 24 13.719 53.093 13.158 1.00 33.47 C ATOM 408 O THR A 24 14.921 52.843 13.248 1.00 34.43 O ATOM 409 CB THR A 24 13.143 55.542 13.171 1.00 31.53 C ATOM 410 OG1 THR A 24 13.029 56.675 12.302 1.00 30.68 O ATOM 411 CG2 THR A 24 14.396 55.709 14.041 1.00 32.82 C ATOM 412 HA THR A 24 13.968 54.434 11.522 1.00 0.00 H ATOM 413 HB THR A 24 12.273 55.464 13.823 1.00 0.00 H ATOM 414 HG1 THR A 24 12.214 56.583 11.747 1.00 0.00 H ATOM 415 HG23 THR A 24 14.492 54.851 14.706 1.00 0.00 H ATOM 416 HG21 THR A 24 15.276 55.774 13.400 1.00 0.00 H ATOM 417 HG22 THR A 24 14.308 56.621 14.632 1.00 0.00 H ATOM 418 H THR A 24 11.151 54.604 11.820 1.00 0.00 H ATOM 419 N ILE A 25 12.783 52.359 13.751 1.00 32.60 N ATOM 420 CA ILE A 25 13.126 51.206 14.574 1.00 32.65 C ATOM 421 C ILE A 25 13.411 49.940 13.753 1.00 32.81 C ATOM 422 O ILE A 25 14.380 49.223 14.012 1.00 31.05 O ATOM 423 CB ILE A 25 11.994 50.902 15.575 1.00 34.82 C ATOM 424 CG1 ILE A 25 11.879 52.055 16.580 1.00 38.47 C ATOM 425 CG2 ILE A 25 12.264 49.585 16.290 1.00 34.83 C ATOM 426 CD1 ILE A 25 10.787 51.865 17.613 1.00 42.00 C ATOM 427 HA ILE A 25 14.042 51.475 15.100 1.00 0.00 H ATOM 428 HB ILE A 25 11.050 50.807 15.039 1.00 0.00 H ATOM 429 HG12 ILE A 25 12.831 52.152 17.101 1.00 0.00 H ATOM 430 HG13 ILE A 25 11.673 52.972 16.028 1.00 0.00 H ATOM 431 HD11 ILE A 25 9.824 51.778 17.110 1.00 0.00 H ATOM 432 HD12 ILE A 25 10.983 50.958 18.184 1.00 0.00 H ATOM 433 HD13 ILE A 25 10.771 52.723 18.285 1.00 0.00 H ATOM 434 HG21 ILE A 25 12.319 48.780 15.557 1.00 0.00 H ATOM 435 HG22 ILE A 25 13.209 49.653 16.829 1.00 0.00 H ATOM 436 HG23 ILE A 25 11.457 49.383 16.994 1.00 0.00 H ATOM 437 H ILE A 25 11.782 52.613 13.625 1.00 0.00 H ATOM 438 N ALA A 26 12.562 49.668 12.767 1.00 31.08 N ATOM 439 CA ALA A 26 12.712 48.482 11.922 1.00 31.14 C ATOM 440 C ALA A 26 13.997 48.476 11.093 1.00 31.47 C ATOM 441 O ALA A 26 14.627 47.431 10.911 1.00 32.22 O ATOM 442 CB ALA A 26 11.501 48.355 10.996 1.00 32.03 C ATOM 443 HA ALA A 26 12.776 47.628 12.596 1.00 0.00 H ATOM 444 HB1 ALA A 26 10.595 48.261 11.595 1.00 0.00 H ATOM 445 HB2 ALA A 26 11.432 49.242 10.367 1.00 0.00 H ATOM 446 HB3 ALA A 26 11.616 47.471 10.369 1.00 0.00 H ATOM 447 H ALA A 26 11.768 50.316 12.591 1.00 0.00 H ATOM 448 N MET A 27 14.386 49.644 10.595 1.00 29.40 N ATOM 449 CA MET A 27 15.575 49.758 9.764 1.00 29.61 C ATOM 450 C MET A 27 16.925 49.570 10.468 1.00 31.26 C ATOM 451 O MET A 27 17.926 49.288 9.813 1.00 30.68 O ATOM 452 CB MET A 27 15.567 51.110 9.046 1.00 28.55 C ATOM 453 CG MET A 27 14.430 51.280 8.028 1.00 30.78 C ATOM 454 SD MET A 27 14.445 50.025 6.707 1.00 29.38 S ATOM 455 CE MET A 27 15.987 50.453 5.856 1.00 28.84 C ATOM 456 HA MET A 27 15.504 48.918 9.073 1.00 0.00 H ATOM 457 HB2 MET A 27 15.473 51.895 9.797 1.00 0.00 H ATOM 458 HB3 MET A 27 16.515 51.223 8.521 1.00 0.00 H ATOM 459 HG2 MET A 27 14.521 52.265 7.570 1.00 0.00 H ATOM 460 HG3 MET A 27 13.479 51.213 8.557 1.00 0.00 H ATOM 461 HE1 MET A 27 15.925 51.477 5.487 1.00 0.00 H ATOM 462 HE2 MET A 27 16.821 50.366 6.552 1.00 0.00 H ATOM 463 HE3 MET A 27 16.139 49.772 5.018 1.00 0.00 H ATOM 464 H MET A 27 13.828 50.497 10.804 1.00 0.00 H ATOM 465 N ARG A 28 16.965 49.709 11.789 1.00 33.15 N ATOM 466 CA ARG A 28 18.235 49.575 12.504 1.00 34.71 C ATOM 467 C ARG A 28 18.977 48.260 12.259 1.00 34.40 C ATOM 468 O ARG A 28 20.193 48.257 12.047 1.00 31.26 O ATOM 469 CB ARG A 28 18.019 49.792 14.006 1.00 39.09 C ATOM 470 CG ARG A 28 17.554 51.206 14.327 1.00 46.00 C ATOM 471 CD ARG A 28 17.598 51.529 15.811 1.00 51.58 C ATOM 472 NE ARG A 28 17.110 52.884 16.072 1.00 57.43 N ATOM 473 CZ ARG A 28 17.675 53.993 15.596 1.00 60.51 C ATOM 474 NH1 ARG A 28 18.758 53.919 14.830 1.00 62.86 N ATOM 475 NH2 ARG A 28 17.158 55.181 15.885 1.00 62.62 N ATOM 476 HA ARG A 28 18.883 50.350 12.094 1.00 0.00 H ATOM 477 HB2 ARG A 28 17.265 49.087 14.357 1.00 0.00 H ATOM 478 HB3 ARG A 28 18.959 49.606 14.526 1.00 0.00 H ATOM 479 HG2 ARG A 28 18.197 51.910 13.800 1.00 0.00 H ATOM 480 HG3 ARG A 28 16.528 51.321 13.978 1.00 0.00 H ATOM 481 HD2 ARG A 28 18.626 51.447 16.163 1.00 0.00 H ATOM 482 HD3 ARG A 28 16.973 50.816 16.349 1.00 0.00 H ATOM 483 HE ARG A 28 16.265 52.988 16.669 1.00 0.00 H ATOM 484 HH12 ARG A 28 19.195 54.788 14.461 1.00 0.00 H ATOM 485 HH11 ARG A 28 19.169 52.992 14.599 1.00 0.00 H ATOM 486 HH22 ARG A 28 17.601 56.045 15.512 1.00 0.00 H ATOM 487 HH21 ARG A 28 16.310 55.247 16.484 1.00 0.00 H ATOM 488 H ARG A 28 16.092 49.913 12.316 1.00 0.00 H ATOM 489 N ALA A 29 18.248 47.150 12.269 1.00 32.38 N ATOM 490 CA ALA A 29 18.861 45.843 12.053 1.00 34.00 C ATOM 491 C ALA A 29 19.452 45.716 10.654 1.00 34.70 C ATOM 492 O ALA A 29 20.455 45.033 10.447 1.00 34.92 O ATOM 493 CB ALA A 29 17.833 44.744 12.285 1.00 35.78 C ATOM 494 HA ALA A 29 19.678 45.739 12.767 1.00 0.00 H ATOM 495 HB1 ALA A 29 17.464 44.804 13.309 1.00 0.00 H ATOM 496 HB2 ALA A 29 17.003 44.872 11.590 1.00 0.00 H ATOM 497 HB3 ALA A 29 18.299 43.772 12.122 1.00 0.00 H ATOM 498 H ALA A 29 17.223 47.213 12.434 1.00 0.00 H ATOM 499 N ILE A 30 18.819 46.376 9.692 1.00 34.39 N ATOM 500 CA ILE A 30 19.274 46.336 8.311 1.00 33.09 C ATOM 501 C ILE A 30 20.495 47.229 8.096 1.00 32.94 C ATOM 502 O ILE A 30 21.454 46.824 7.443 1.00 35.16 O ATOM 503 CB ILE A 30 18.131 46.771 7.357 1.00 34.12 C ATOM 504 CG1 ILE A 30 16.987 45.750 7.429 1.00 33.59 C ATOM 505 CG2 ILE A 30 18.659 46.931 5.941 1.00 33.96 C ATOM 506 CD1 ILE A 30 15.723 46.186 6.728 1.00 36.54 C ATOM 507 HA ILE A 30 19.562 45.309 8.088 1.00 0.00 H ATOM 508 HB ILE A 30 17.740 47.740 7.668 1.00 0.00 H ATOM 509 HG12 ILE A 30 17.328 44.821 6.972 1.00 0.00 H ATOM 510 HG13 ILE A 30 16.752 45.573 8.479 1.00 0.00 H ATOM 511 HD11 ILE A 30 15.358 47.108 7.180 1.00 0.00 H ATOM 512 HD12 ILE A 30 15.935 46.356 5.672 1.00 0.00 H ATOM 513 HD13 ILE A 30 14.967 45.407 6.827 1.00 0.00 H ATOM 514 HG21 ILE A 30 19.441 47.690 5.930 1.00 0.00 H ATOM 515 HG22 ILE A 30 19.068 45.981 5.598 1.00 0.00 H ATOM 516 HG23 ILE A 30 17.845 47.237 5.283 1.00 0.00 H ATOM 517 H ILE A 30 17.976 46.936 9.932 1.00 0.00 H ATOM 518 N ASN A 31 20.469 48.439 8.646 1.00 30.85 N ATOM 519 CA ASN A 31 21.596 49.357 8.477 1.00 31.83 C ATOM 520 C ASN A 31 22.846 48.939 9.255 1.00 32.61 C ATOM 521 O ASN A 31 23.954 49.398 8.958 1.00 31.13 O ATOM 522 CB ASN A 31 21.190 50.784 8.861 1.00 29.66 C ATOM 523 CG ASN A 31 20.249 51.411 7.841 1.00 31.93 C ATOM 524 OD1 ASN A 31 20.436 51.249 6.635 1.00 28.97 O ATOM 525 ND2 ASN A 31 19.244 52.138 8.320 1.00 31.16 N ATOM 526 HA ASN A 31 21.860 49.320 7.420 1.00 0.00 H ATOM 527 HB2 ASN A 31 20.691 50.758 9.830 1.00 0.00 H ATOM 528 HB3 ASN A 31 22.088 51.397 8.933 1.00 0.00 H ATOM 529 HD22 ASN A 31 19.125 52.247 9.347 1.00 0.00 H ATOM 530 HD21 ASN A 31 18.577 52.597 7.667 1.00 0.00 H ATOM 531 H ASN A 31 19.641 48.736 9.201 1.00 0.00 H ATOM 532 N ASN A 32 22.673 48.058 10.237 1.00 33.27 N ATOM 533 CA ASN A 32 23.805 47.585 11.034 1.00 35.29 C ATOM 534 C ASN A 32 24.877 46.947 10.148 1.00 35.16 C ATOM 535 O ASN A 32 26.068 47.047 10.439 1.00 35.85 O ATOM 536 CB ASN A 32 23.335 46.573 12.091 1.00 36.15 C ATOM 537 CG ASN A 32 24.499 45.927 12.853 1.00 38.57 C ATOM 538 OD1 ASN A 32 24.997 44.866 12.472 1.00 42.36 O ATOM 539 ND2 ASN A 32 24.939 46.575 13.924 1.00 36.55 N ATOM 540 HA ASN A 32 24.241 48.449 11.535 1.00 0.00 H ATOM 541 HB2 ASN A 32 22.693 47.088 12.806 1.00 0.00 H ATOM 542 HB3 ASN A 32 22.766 45.788 11.593 1.00 0.00 H ATOM 543 HD22 ASN A 32 24.491 47.468 14.212 1.00 0.00 H ATOM 544 HD21 ASN A 32 25.732 46.190 14.475 1.00 0.00 H ATOM 545 H ASN A 32 21.718 47.700 10.441 1.00 0.00 H ATOM 546 N TYR A 33 24.447 46.314 9.060 1.00 34.74 N ATOM 547 CA TYR A 33 25.360 45.642 8.138 1.00 35.95 C ATOM 548 C TYR A 33 25.753 46.447 6.905 1.00 37.06 C ATOM 549 O TYR A 33 26.315 45.883 5.965 1.00 38.74 O ATOM 550 CB TYR A 33 24.745 44.318 7.678 1.00 36.30 C ATOM 551 CG TYR A 33 24.499 43.354 8.809 1.00 37.25 C ATOM 552 CD1 TYR A 33 25.544 42.598 9.342 1.00 38.04 C ATOM 553 CD2 TYR A 33 23.234 43.237 9.388 1.00 38.08 C ATOM 554 CE1 TYR A 33 25.339 41.750 10.426 1.00 39.08 C ATOM 555 CE2 TYR A 33 23.018 42.390 10.475 1.00 38.39 C ATOM 556 CZ TYR A 33 24.076 41.652 10.989 1.00 38.63 C ATOM 557 OH TYR A 33 23.882 40.828 12.076 1.00 41.46 O ATOM 558 HA TYR A 33 26.277 45.495 8.709 1.00 0.00 H ATOM 559 HB3 TYR A 33 25.423 43.850 6.965 1.00 0.00 H ATOM 560 HB2 TYR A 33 23.794 44.529 7.189 1.00 0.00 H ATOM 561 HD2 TYR A 33 22.403 43.816 8.985 1.00 0.00 H ATOM 562 HE2 TYR A 33 22.025 42.308 10.918 1.00 0.00 H ATOM 563 HE1 TYR A 33 26.166 41.166 10.830 1.00 0.00 H ATOM 564 HD1 TYR A 33 26.538 42.673 8.901 1.00 0.00 H ATOM 565 HH TYR A 33 24.735 40.382 12.307 1.00 0.00 H ATOM 566 H TYR A 33 23.427 46.297 8.859 1.00 0.00 H ATOM 567 N ARG A 34 25.474 47.750 6.900 1.00 34.74 N ATOM 568 CA ARG A 34 25.809 48.589 5.750 1.00 34.07 C ATOM 569 C ARG A 34 26.851 49.653 6.086 1.00 34.11 C ATOM 570 O ARG A 34 27.177 49.867 7.254 1.00 35.19 O ATOM 571 CB ARG A 34 24.547 49.276 5.218 1.00 35.23 C ATOM 572 CG ARG A 34 23.382 48.329 4.967 1.00 35.67 C ATOM 573 CD ARG A 34 22.151 49.034 4.410 1.00 38.03 C ATOM 574 NE ARG A 34 22.185 49.119 2.953 1.00 45.11 N ATOM 575 CZ ARG A 34 22.491 50.218 2.285 1.00 42.30 C ATOM 576 NH1 ARG A 34 22.780 51.316 2.949 1.00 47.31 N ATOM 577 NH2 ARG A 34 22.519 50.220 0.962 1.00 44.06 N ATOM 578 HA ARG A 34 26.235 47.932 4.992 1.00 0.00 H ATOM 579 HB2 ARG A 34 24.231 50.023 5.946 1.00 0.00 H ATOM 580 HB3 ARG A 34 24.796 49.769 4.278 1.00 0.00 H ATOM 581 HG2 ARG A 34 23.700 47.568 4.254 1.00 0.00 H ATOM 582 HG3 ARG A 34 23.113 47.852 5.909 1.00 0.00 H ATOM 583 HD2 ARG A 34 22.106 50.042 4.821 1.00 0.00 H ATOM 584 HD3 ARG A 34 21.261 48.480 4.710 1.00 0.00 H ATOM 585 HE ARG A 34 21.955 48.264 2.408 1.00 0.00 H ATOM 586 HH12 ARG A 34 23.022 52.187 2.434 1.00 0.00 H ATOM 587 HH11 ARG A 34 22.766 51.314 3.989 1.00 0.00 H ATOM 588 HH22 ARG A 34 22.761 51.091 0.448 1.00 0.00 H ATOM 589 HH21 ARG A 34 22.299 49.350 0.436 1.00 0.00 H ATOM 590 H ARG A 34 25.011 48.177 7.727 1.00 0.00 H ATOM 591 N TRP A 35 27.366 50.319 5.057 1.00 32.32 N ATOM 592 CA TRP A 35 28.350 51.386 5.239 1.00 32.15 C ATOM 593 C TRP A 35 27.607 52.722 5.405 1.00 32.18 C ATOM 594 O TRP A 35 28.025 53.592 6.178 1.00 32.59 O ATOM 595 CB TRP A 35 29.288 51.442 4.027 1.00 31.91 C ATOM 596 CG TRP A 35 30.429 52.404 4.175 1.00 35.28 C ATOM 597 CD1 TRP A 35 30.611 53.571 3.490 1.00 36.08 C ATOM 598 CD2 TRP A 35 31.561 52.269 5.049 1.00 36.03 C ATOM 599 NE1 TRP A 35 31.787 54.172 3.880 1.00 37.28 N ATOM 600 CE2 TRP A 35 32.391 53.396 4.834 1.00 36.86 C ATOM 601 CE3 TRP A 35 31.955 51.306 5.991 1.00 35.62 C ATOM 602 CZ2 TRP A 35 33.596 53.587 5.526 1.00 36.36 C ATOM 603 CZ3 TRP A 35 33.157 51.494 6.681 1.00 37.88 C ATOM 604 CH2 TRP A 35 33.962 52.628 6.442 1.00 38.27 C ATOM 605 HA TRP A 35 28.950 51.192 6.128 1.00 0.00 H ATOM 606 HB2 TRP A 35 29.700 50.445 3.867 1.00 0.00 H ATOM 607 HB3 TRP A 35 28.703 51.737 3.156 1.00 0.00 H ATOM 608 HE1 TRP A 35 32.157 55.071 3.510 1.00 0.00 H ATOM 609 HD1 TRP A 35 29.925 53.969 2.743 1.00 0.00 H ATOM 610 HZ2 TRP A 35 34.219 54.463 5.345 1.00 0.00 H ATOM 611 HH2 TRP A 35 34.894 52.747 6.995 1.00 0.00 H ATOM 612 HZ3 TRP A 35 33.477 50.754 7.414 1.00 0.00 H ATOM 613 HE3 TRP A 35 31.336 50.429 6.181 1.00 0.00 H ATOM 614 H TRP A 35 27.060 50.074 4.094 1.00 0.00 H ATOM 615 N ARG A 36 26.501 52.871 4.678 1.00 30.64 N ATOM 616 CA ARG A 36 25.672 54.077 4.743 1.00 29.92 C ATOM 617 C ARG A 36 24.207 53.665 4.872 1.00 31.12 C ATOM 618 O ARG A 36 23.818 52.598 4.416 1.00 28.38 O ATOM 619 CB ARG A 36 25.880 54.927 3.488 1.00 31.52 C ATOM 620 CG ARG A 36 27.266 55.560 3.407 1.00 35.04 C ATOM 621 CD ARG A 36 27.460 56.618 4.494 1.00 36.70 C ATOM 622 NE ARG A 36 28.783 57.245 4.442 1.00 40.30 N ATOM 623 CZ ARG A 36 29.823 56.893 5.201 1.00 41.90 C ATOM 624 NH1 ARG A 36 30.985 57.528 5.070 1.00 40.56 N ATOM 625 NH2 ARG A 36 29.707 55.921 6.100 1.00 36.39 N ATOM 626 HA ARG A 36 25.958 54.674 5.609 1.00 0.00 H ATOM 627 HB2 ARG A 36 25.738 54.292 2.613 1.00 0.00 H ATOM 628 HB3 ARG A 36 25.135 55.723 3.482 1.00 0.00 H ATOM 629 HG2 ARG A 36 28.019 54.782 3.530 1.00 0.00 H ATOM 630 HG3 ARG A 36 27.386 56.028 2.430 1.00 0.00 H ATOM 631 HD2 ARG A 36 27.336 56.145 5.468 1.00 0.00 H ATOM 632 HD3 ARG A 36 26.702 57.391 4.368 1.00 0.00 H ATOM 633 HE ARG A 36 28.922 58.021 3.764 1.00 0.00 H ATOM 634 HH12 ARG A 36 31.796 57.255 5.661 1.00 0.00 H ATOM 635 HH11 ARG A 36 31.082 58.297 4.377 1.00 0.00 H ATOM 636 HH22 ARG A 36 30.524 55.655 6.686 1.00 0.00 H ATOM 637 HH21 ARG A 36 28.800 55.427 6.217 1.00 0.00 H ATOM 638 H ARG A 36 26.215 52.101 4.040 1.00 0.00 H ATOM 639 N CYS A 37 23.383 54.494 5.498 1.00 31.84 N ATOM 640 CA CYS A 37 21.987 54.116 5.657 1.00 33.21 C ATOM 641 C CYS A 37 21.242 53.955 4.334 1.00 31.23 C ATOM 642 O CYS A 37 21.463 54.702 3.378 1.00 30.57 O ATOM 643 CB CYS A 37 21.271 55.113 6.565 1.00 37.60 C ATOM 644 SG CYS A 37 21.689 54.872 8.323 1.00 44.28 S ATOM 645 HA CYS A 37 21.984 53.130 6.122 1.00 0.00 H ATOM 646 HB2 CYS A 37 20.195 54.991 6.440 1.00 0.00 H ATOM 647 HB3 CYS A 37 21.557 56.123 6.272 1.00 0.00 H ATOM 648 H CYS A 37 23.730 55.401 5.870 1.00 0.00 H ATOM 649 N LYS A 38 20.366 52.957 4.282 1.00 29.05 N ATOM 650 CA LYS A 38 19.594 52.691 3.073 1.00 29.79 C ATOM 651 C LYS A 38 18.661 53.873 2.802 1.00 29.92 C ATOM 652 O LYS A 38 17.956 54.344 3.692 1.00 28.59 O ATOM 653 CB LYS A 38 18.790 51.394 3.235 1.00 28.86 C ATOM 654 CG LYS A 38 18.436 50.724 1.920 1.00 31.73 C ATOM 655 CD LYS A 38 17.766 49.372 2.138 1.00 30.99 C ATOM 656 CE LYS A 38 17.468 48.690 0.802 1.00 33.84 C ATOM 657 NZ LYS A 38 16.756 47.389 0.963 1.00 32.79 N ATOM 658 HA LYS A 38 20.270 52.568 2.227 1.00 0.00 H ATOM 659 HB2 LYS A 38 19.380 50.696 3.829 1.00 0.00 H ATOM 660 HB3 LYS A 38 17.865 51.626 3.762 1.00 0.00 H ATOM 661 HG2 LYS A 38 17.756 51.370 1.366 1.00 0.00 H ATOM 662 HG3 LYS A 38 19.348 50.577 1.341 1.00 0.00 H ATOM 663 HD2 LYS A 38 18.428 48.735 2.724 1.00 0.00 H ATOM 664 HD3 LYS A 38 16.832 49.519 2.680 1.00 0.00 H ATOM 665 HE2 LYS A 38 18.410 48.510 0.285 1.00 0.00 H ATOM 666 HE3 LYS A 38 16.847 49.355 0.202 1.00 0.00 H ATOM 667 HZ1 LYS A 38 17.343 46.742 1.527 1.00 0.00 H ATOM 668 HZ2 LYS A 38 15.850 47.549 1.448 1.00 0.00 H ATOM 669 HZ3 LYS A 38 16.581 46.973 0.026 1.00 0.00 H ATOM 670 H LYS A 38 20.228 52.355 5.118 1.00 0.00 H ATOM 671 N ASN A 39 18.662 54.345 1.563 1.00 30.59 N ATOM 672 CA ASN A 39 17.852 55.490 1.187 1.00 32.71 C ATOM 673 C ASN A 39 16.346 55.219 1.174 1.00 32.88 C ATOM 674 O ASN A 39 15.549 56.078 1.546 1.00 31.00 O ATOM 675 CB ASN A 39 18.307 55.997 -0.178 1.00 37.24 C ATOM 676 CG ASN A 39 17.785 57.377 -0.485 1.00 43.48 C ATOM 677 OD1 ASN A 39 16.857 57.537 -1.275 1.00 49.66 O ATOM 678 ND2 ASN A 39 18.372 58.390 0.150 1.00 45.50 N ATOM 679 HA ASN A 39 18.005 56.247 1.957 1.00 0.00 H ATOM 680 HB2 ASN A 39 19.397 56.023 -0.196 1.00 0.00 H ATOM 681 HB3 ASN A 39 17.949 55.309 -0.944 1.00 0.00 H ATOM 682 HD22 ASN A 39 19.154 58.207 0.810 1.00 0.00 H ATOM 683 HD21 ASN A 39 18.048 59.364 -0.014 1.00 0.00 H ATOM 684 H ASN A 39 19.256 53.885 0.844 1.00 0.00 H ATOM 685 N GLN A 40 15.958 54.018 0.766 1.00 30.45 N ATOM 686 CA GLN A 40 14.547 53.678 0.696 1.00 31.79 C ATOM 687 C GLN A 40 14.354 52.180 0.869 1.00 30.21 C ATOM 688 O GLN A 40 15.145 51.396 0.354 1.00 28.90 O ATOM 689 CB GLN A 40 13.999 54.125 -0.661 1.00 35.75 C ATOM 690 CG GLN A 40 12.790 53.363 -1.143 1.00 44.58 C ATOM 691 CD GLN A 40 11.493 54.001 -0.722 1.00 49.02 C ATOM 692 OE1 GLN A 40 11.212 55.143 -1.085 1.00 53.73 O ATOM 693 NE2 GLN A 40 10.686 53.270 0.041 1.00 48.87 N ATOM 694 HA GLN A 40 14.010 54.186 1.497 1.00 0.00 H ATOM 695 HB2 GLN A 40 13.728 55.178 -0.586 1.00 0.00 H ATOM 696 HB3 GLN A 40 14.791 54.007 -1.401 1.00 0.00 H ATOM 697 HG2 GLN A 40 12.818 53.316 -2.232 1.00 0.00 H ATOM 698 HG3 GLN A 40 12.830 52.353 -0.736 1.00 0.00 H ATOM 699 HE22 GLN A 40 10.966 52.309 0.323 1.00 0.00 H ATOM 700 HE21 GLN A 40 9.774 53.659 0.356 1.00 0.00 H ATOM 701 H GLN A 40 16.671 53.312 0.493 1.00 0.00 H ATOM 702 N ASN A 41 13.317 51.784 1.607 1.00 26.20 N ATOM 703 CA ASN A 41 13.034 50.363 1.800 1.00 25.99 C ATOM 704 C ASN A 41 11.526 50.147 1.926 1.00 27.05 C ATOM 705 O ASN A 41 10.830 50.940 2.572 1.00 29.03 O ATOM 706 CB ASN A 41 13.752 49.822 3.048 1.00 25.65 C ATOM 707 CG ASN A 41 13.722 48.297 3.123 1.00 26.88 C ATOM 708 OD1 ASN A 41 14.306 47.610 2.281 1.00 26.02 O ATOM 709 ND2 ASN A 41 13.029 47.765 4.126 1.00 24.33 N ATOM 710 HA ASN A 41 13.405 49.817 0.933 1.00 0.00 H ATOM 711 HB2 ASN A 41 14.791 50.151 3.024 1.00 0.00 H ATOM 712 HB3 ASN A 41 13.264 50.226 3.935 1.00 0.00 H ATOM 713 HD22 ASN A 41 12.552 48.383 4.814 1.00 0.00 H ATOM 714 HD21 ASN A 41 12.964 46.732 4.223 1.00 0.00 H ATOM 715 H ASN A 41 12.702 52.495 2.051 1.00 0.00 H ATOM 716 N THR A 42 11.027 49.079 1.306 1.00 25.71 N ATOM 717 CA THR A 42 9.596 48.762 1.326 1.00 24.19 C ATOM 718 C THR A 42 9.291 47.434 2.020 1.00 25.31 C ATOM 719 O THR A 42 9.942 46.423 1.751 1.00 25.46 O ATOM 720 CB THR A 42 9.032 48.698 -0.123 1.00 24.80 C ATOM 721 OG1 THR A 42 9.151 49.986 -0.740 1.00 25.69 O ATOM 722 CG2 THR A 42 7.557 48.270 -0.127 1.00 26.11 C ATOM 723 HA THR A 42 9.118 49.562 1.892 1.00 0.00 H ATOM 724 HB THR A 42 9.608 47.959 -0.680 1.00 0.00 H ATOM 725 HG1 THR A 42 8.638 50.651 -0.215 1.00 0.00 H ATOM 726 HG23 THR A 42 7.463 47.290 0.342 1.00 0.00 H ATOM 727 HG21 THR A 42 6.967 48.999 0.429 1.00 0.00 H ATOM 728 HG22 THR A 42 7.198 48.218 -1.155 1.00 0.00 H ATOM 729 H THR A 42 11.674 48.449 0.791 1.00 0.00 H ATOM 730 N PHE A 43 8.309 47.448 2.919 1.00 24.45 N ATOM 731 CA PHE A 43 7.879 46.246 3.629 1.00 24.40 C ATOM 732 C PHE A 43 6.513 45.828 3.098 1.00 26.60 C ATOM 733 O PHE A 43 5.594 46.645 3.053 1.00 24.59 O ATOM 734 CB PHE A 43 7.746 46.506 5.141 1.00 24.04 C ATOM 735 CG PHE A 43 9.059 46.531 5.875 1.00 27.40 C ATOM 736 CD1 PHE A 43 9.745 45.348 6.142 1.00 27.57 C ATOM 737 CD2 PHE A 43 9.621 47.740 6.280 1.00 26.61 C ATOM 738 CE1 PHE A 43 10.976 45.367 6.802 1.00 28.42 C ATOM 739 CE2 PHE A 43 10.850 47.771 6.942 1.00 27.72 C ATOM 740 CZ PHE A 43 11.529 46.590 7.203 1.00 27.11 C ATOM 741 HA PHE A 43 8.625 45.468 3.469 1.00 0.00 H ATOM 742 HB2 PHE A 43 7.256 47.469 5.282 1.00 0.00 H ATOM 743 HB3 PHE A 43 7.127 45.719 5.571 1.00 0.00 H ATOM 744 HD2 PHE A 43 9.095 48.673 6.078 1.00 0.00 H ATOM 745 HE2 PHE A 43 11.276 48.724 7.254 1.00 0.00 H ATOM 746 HZ PHE A 43 12.489 46.613 7.718 1.00 0.00 H ATOM 747 HE1 PHE A 43 11.504 44.435 7.004 1.00 0.00 H ATOM 748 HD1 PHE A 43 9.316 44.395 5.832 1.00 0.00 H ATOM 749 H PHE A 43 7.830 48.348 3.123 1.00 0.00 H ATOM 750 N LEU A 44 6.385 44.565 2.688 1.00 24.46 N ATOM 751 CA LEU A 44 5.110 44.045 2.202 1.00 25.26 C ATOM 752 C LEU A 44 4.374 43.528 3.439 1.00 25.29 C ATOM 753 O LEU A 44 4.929 42.732 4.201 1.00 23.63 O ATOM 754 CB LEU A 44 5.327 42.876 1.225 1.00 26.94 C ATOM 755 CG LEU A 44 6.196 43.102 -0.017 1.00 29.05 C ATOM 756 CD1 LEU A 44 6.255 41.813 -0.829 1.00 32.95 C ATOM 757 CD2 LEU A 44 5.626 44.224 -0.867 1.00 30.40 C ATOM 758 HA LEU A 44 4.554 44.819 1.673 1.00 0.00 H ATOM 759 HB2 LEU A 44 5.784 42.065 1.792 1.00 0.00 H ATOM 760 HB3 LEU A 44 4.343 42.564 0.875 1.00 0.00 H ATOM 761 HG LEU A 44 7.201 43.385 0.297 1.00 0.00 H ATOM 762 HD21 LEU A 44 4.616 43.962 -1.183 1.00 0.00 H ATOM 763 HD22 LEU A 44 5.598 45.143 -0.282 1.00 0.00 H ATOM 764 HD23 LEU A 44 6.256 44.370 -1.744 1.00 0.00 H ATOM 765 HD11 LEU A 44 6.687 41.020 -0.219 1.00 0.00 H ATOM 766 HD12 LEU A 44 5.247 41.530 -1.133 1.00 0.00 H ATOM 767 HD13 LEU A 44 6.872 41.970 -1.713 1.00 0.00 H ATOM 768 H LEU A 44 7.213 43.936 2.715 1.00 0.00 H ATOM 769 N ARG A 45 3.143 43.982 3.651 1.00 24.12 N ATOM 770 CA ARG A 45 2.388 43.521 4.802 1.00 26.40 C ATOM 771 C ARG A 45 1.643 42.239 4.434 1.00 28.01 C ATOM 772 O ARG A 45 0.449 42.257 4.135 1.00 27.47 O ATOM 773 CB ARG A 45 1.427 44.621 5.293 1.00 25.95 C ATOM 774 CG ARG A 45 2.176 45.876 5.768 1.00 27.87 C ATOM 775 CD ARG A 45 1.283 46.905 6.462 1.00 30.07 C ATOM 776 NE ARG A 45 0.829 46.437 7.765 1.00 31.26 N ATOM 777 CZ ARG A 45 0.166 47.187 8.644 1.00 33.04 C ATOM 778 NH1 ARG A 45 -0.127 48.451 8.362 1.00 28.97 N ATOM 779 NH2 ARG A 45 -0.194 46.672 9.811 1.00 32.11 N ATOM 780 HA ARG A 45 3.068 43.300 5.625 1.00 0.00 H ATOM 781 HB2 ARG A 45 0.762 44.897 4.475 1.00 0.00 H ATOM 782 HB3 ARG A 45 0.838 44.229 6.122 1.00 0.00 H ATOM 783 HG2 ARG A 45 2.953 45.568 6.468 1.00 0.00 H ATOM 784 HG3 ARG A 45 2.636 46.350 4.901 1.00 0.00 H ATOM 785 HD2 ARG A 45 0.414 47.099 5.834 1.00 0.00 H ATOM 786 HD3 ARG A 45 1.846 47.829 6.595 1.00 0.00 H ATOM 787 HE ARG A 45 1.036 45.452 8.026 1.00 0.00 H ATOM 788 HH12 ARG A 45 -0.645 49.031 9.052 1.00 0.00 H ATOM 789 HH11 ARG A 45 0.161 48.861 7.451 1.00 0.00 H ATOM 790 HH22 ARG A 45 -0.712 47.255 10.499 1.00 0.00 H ATOM 791 HH21 ARG A 45 0.041 45.685 10.038 1.00 0.00 H ATOM 792 H ARG A 45 2.721 44.667 2.992 1.00 0.00 H ATOM 793 N THR A 46 2.379 41.129 4.453 1.00 27.62 N ATOM 794 CA THR A 46 1.838 39.811 4.127 1.00 30.07 C ATOM 795 C THR A 46 2.688 38.757 4.845 1.00 30.20 C ATOM 796 O THR A 46 3.480 39.098 5.722 1.00 29.68 O ATOM 797 CB THR A 46 1.864 39.565 2.597 1.00 32.15 C ATOM 798 OG1 THR A 46 1.259 38.301 2.302 1.00 36.13 O ATOM 799 CG2 THR A 46 3.302 39.576 2.069 1.00 32.43 C ATOM 800 HA THR A 46 0.800 39.750 4.453 1.00 0.00 H ATOM 801 HB THR A 46 1.307 40.365 2.110 1.00 0.00 H ATOM 802 HG1 THR A 46 0.321 38.303 2.619 1.00 0.00 H ATOM 803 HG23 THR A 46 3.763 40.538 2.293 1.00 0.00 H ATOM 804 HG21 THR A 46 3.870 38.779 2.549 1.00 0.00 H ATOM 805 HG22 THR A 46 3.293 39.419 0.990 1.00 0.00 H ATOM 806 H THR A 46 3.384 41.204 4.711 1.00 0.00 H ATOM 807 N THR A 47 2.523 37.484 4.493 1.00 32.49 N ATOM 808 CA THR A 47 3.294 36.418 5.140 1.00 33.51 C ATOM 809 C THR A 47 4.261 35.776 4.146 1.00 35.08 C ATOM 810 O THR A 47 4.021 35.810 2.944 1.00 33.98 O ATOM 811 CB THR A 47 2.369 35.305 5.684 1.00 35.62 C ATOM 812 OG1 THR A 47 1.724 34.645 4.586 1.00 37.19 O ATOM 813 CG2 THR A 47 1.310 35.893 6.611 1.00 35.09 C ATOM 814 HA THR A 47 3.841 36.877 5.963 1.00 0.00 H ATOM 815 HB THR A 47 2.972 34.592 6.247 1.00 0.00 H ATOM 816 HG1 THR A 47 1.187 35.303 4.076 1.00 0.00 H ATOM 817 HG23 THR A 47 1.798 36.395 7.446 1.00 0.00 H ATOM 818 HG21 THR A 47 0.703 36.611 6.059 1.00 0.00 H ATOM 819 HG22 THR A 47 0.674 35.092 6.988 1.00 0.00 H ATOM 820 H THR A 47 1.838 37.242 3.749 1.00 0.00 H ATOM 821 N PHE A 48 5.344 35.185 4.650 1.00 36.17 N ATOM 822 CA PHE A 48 6.325 34.536 3.781 1.00 37.87 C ATOM 823 C PHE A 48 5.634 33.471 2.926 1.00 38.57 C ATOM 824 O PHE A 48 5.916 33.338 1.734 1.00 37.35 O ATOM 825 CB PHE A 48 7.438 33.884 4.611 1.00 38.23 C ATOM 826 CG PHE A 48 8.588 33.350 3.781 1.00 40.71 C ATOM 827 CD1 PHE A 48 9.615 34.192 3.364 1.00 41.11 C ATOM 828 CD2 PHE A 48 8.627 32.011 3.398 1.00 40.60 C ATOM 829 CE1 PHE A 48 10.668 33.706 2.573 1.00 41.54 C ATOM 830 CE2 PHE A 48 9.674 31.515 2.608 1.00 41.62 C ATOM 831 CZ PHE A 48 10.695 32.365 2.196 1.00 41.62 C ATOM 832 HA PHE A 48 6.769 35.294 3.135 1.00 0.00 H ATOM 833 HB2 PHE A 48 7.831 34.628 5.304 1.00 0.00 H ATOM 834 HB3 PHE A 48 7.007 33.056 5.174 1.00 0.00 H ATOM 835 HD2 PHE A 48 7.831 31.338 3.718 1.00 0.00 H ATOM 836 HE2 PHE A 48 9.688 30.465 2.317 1.00 0.00 H ATOM 837 HZ PHE A 48 11.511 31.984 1.582 1.00 0.00 H ATOM 838 HE1 PHE A 48 11.465 34.378 2.254 1.00 0.00 H ATOM 839 HD1 PHE A 48 9.601 35.242 3.655 1.00 0.00 H ATOM 840 H PHE A 48 5.494 35.185 5.679 1.00 0.00 H ATOM 841 N ALA A 49 4.721 32.724 3.542 1.00 38.71 N ATOM 842 CA ALA A 49 3.981 31.669 2.851 1.00 38.95 C ATOM 843 C ALA A 49 3.212 32.180 1.640 1.00 38.25 C ATOM 844 O ALA A 49 3.141 31.499 0.617 1.00 38.38 O ATOM 845 CB ALA A 49 3.015 30.982 3.824 1.00 40.03 C ATOM 846 HA ALA A 49 4.719 30.955 2.485 1.00 0.00 H ATOM 847 HB1 ALA A 49 3.580 30.544 4.647 1.00 0.00 H ATOM 848 HB2 ALA A 49 2.312 31.717 4.215 1.00 0.00 H ATOM 849 HB3 ALA A 49 2.469 30.198 3.299 1.00 0.00 H ATOM 850 H ALA A 49 4.527 32.896 4.549 1.00 0.00 H ATOM 851 N ASN A 50 2.631 33.373 1.755 1.00 38.13 N ATOM 852 CA ASN A 50 1.865 33.960 0.657 1.00 37.36 C ATOM 853 C ASN A 50 2.746 34.368 -0.523 1.00 36.15 C ATOM 854 O ASN A 50 2.329 34.276 -1.676 1.00 34.32 O ATOM 855 CB ASN A 50 1.067 35.173 1.150 1.00 41.00 C ATOM 856 CG ASN A 50 -0.100 34.781 2.046 1.00 45.37 C ATOM 857 OD1 ASN A 50 -0.739 35.636 2.661 1.00 50.53 O ATOM 858 ND2 ASN A 50 -0.386 33.488 2.116 1.00 45.87 N ATOM 859 HA ASN A 50 1.182 33.187 0.303 1.00 0.00 H ATOM 860 HB2 ASN A 50 1.735 35.826 1.712 1.00 0.00 H ATOM 861 HB3 ASN A 50 0.678 35.711 0.285 1.00 0.00 H ATOM 862 HD22 ASN A 50 0.180 32.800 1.579 1.00 0.00 H ATOM 863 HD21 ASN A 50 -1.177 33.162 2.707 1.00 0.00 H ATOM 864 H ASN A 50 2.725 33.899 2.647 1.00 0.00 H ATOM 865 N VAL A 51 3.962 34.823 -0.237 1.00 34.95 N ATOM 866 CA VAL A 51 4.880 35.224 -1.303 1.00 33.23 C ATOM 867 C VAL A 51 5.359 33.972 -2.051 1.00 34.11 C ATOM 868 O VAL A 51 5.496 33.981 -3.275 1.00 33.41 O ATOM 869 CB VAL A 51 6.095 35.994 -0.724 1.00 31.41 C ATOM 870 CG1 VAL A 51 7.012 36.465 -1.854 1.00 29.11 C ATOM 871 CG2 VAL A 51 5.599 37.186 0.096 1.00 30.15 C ATOM 872 HA VAL A 51 4.356 35.888 -1.991 1.00 0.00 H ATOM 873 HB VAL A 51 6.667 35.330 -0.076 1.00 0.00 H ATOM 874 HG11 VAL A 51 7.371 35.601 -2.413 1.00 0.00 H ATOM 875 HG12 VAL A 51 6.456 37.125 -2.520 1.00 0.00 H ATOM 876 HG13 VAL A 51 7.860 37.004 -1.431 1.00 0.00 H ATOM 877 HG21 VAL A 51 5.019 37.850 -0.545 1.00 0.00 H ATOM 878 HG22 VAL A 51 4.972 36.828 0.913 1.00 0.00 H ATOM 879 HG23 VAL A 51 6.454 37.727 0.503 1.00 0.00 H ATOM 880 H VAL A 51 4.264 34.895 0.756 1.00 0.00 H ATOM 881 N VAL A 52 5.606 32.898 -1.304 1.00 36.15 N ATOM 882 CA VAL A 52 6.037 31.632 -1.892 1.00 38.82 C ATOM 883 C VAL A 52 5.017 31.149 -2.931 1.00 40.38 C ATOM 884 O VAL A 52 5.394 30.578 -3.954 1.00 41.17 O ATOM 885 CB VAL A 52 6.201 30.541 -0.805 1.00 39.85 C ATOM 886 CG1 VAL A 52 6.449 29.183 -1.453 1.00 42.28 C ATOM 887 CG2 VAL A 52 7.356 30.896 0.117 1.00 39.48 C ATOM 888 HA VAL A 52 7.000 31.804 -2.373 1.00 0.00 H ATOM 889 HB VAL A 52 5.283 30.488 -0.220 1.00 0.00 H ATOM 890 HG11 VAL A 52 5.603 28.927 -2.091 1.00 0.00 H ATOM 891 HG12 VAL A 52 7.358 29.229 -2.053 1.00 0.00 H ATOM 892 HG13 VAL A 52 6.562 28.427 -0.676 1.00 0.00 H ATOM 893 HG21 VAL A 52 8.275 30.965 -0.464 1.00 0.00 H ATOM 894 HG22 VAL A 52 7.155 31.854 0.597 1.00 0.00 H ATOM 895 HG23 VAL A 52 7.463 30.123 0.878 1.00 0.00 H ATOM 896 H VAL A 52 5.489 32.962 -0.273 1.00 0.00 H ATOM 897 N ASN A 53 3.733 31.387 -2.667 1.00 41.67 N ATOM 898 CA ASN A 53 2.668 30.986 -3.586 1.00 44.06 C ATOM 899 C ASN A 53 2.724 31.797 -4.867 1.00 43.47 C ATOM 900 O ASN A 53 2.461 31.281 -5.957 1.00 43.50 O ATOM 901 CB ASN A 53 1.287 31.163 -2.944 1.00 47.65 C ATOM 902 CG ASN A 53 0.950 30.051 -1.972 1.00 52.66 C ATOM 903 OD1 ASN A 53 0.999 28.871 -2.323 1.00 54.57 O ATOM 904 ND2 ASN A 53 0.599 30.420 -0.743 1.00 55.49 N ATOM 905 HA ASN A 53 2.823 29.932 -3.817 1.00 0.00 H ATOM 906 HB2 ASN A 53 1.270 32.112 -2.409 1.00 0.00 H ATOM 907 HB3 ASN A 53 0.534 31.178 -3.732 1.00 0.00 H ATOM 908 HD22 ASN A 53 0.571 31.429 -0.491 1.00 0.00 H ATOM 909 HD21 ASN A 53 0.352 29.700 -0.034 1.00 0.00 H ATOM 910 H ASN A 53 3.481 31.872 -1.782 1.00 0.00 H ATOM 911 N VAL A 54 3.053 33.076 -4.731 1.00 42.15 N ATOM 912 CA VAL A 54 3.163 33.950 -5.888 1.00 41.59 C ATOM 913 C VAL A 54 4.280 33.418 -6.782 1.00 41.84 C ATOM 914 O VAL A 54 4.223 33.542 -8.003 1.00 41.93 O ATOM 915 CB VAL A 54 3.494 35.397 -5.460 1.00 40.68 C ATOM 916 CG1 VAL A 54 3.722 36.266 -6.681 1.00 40.38 C ATOM 917 CG2 VAL A 54 2.359 35.957 -4.619 1.00 42.60 C ATOM 918 HA VAL A 54 2.212 33.964 -6.420 1.00 0.00 H ATOM 919 HB VAL A 54 4.407 35.391 -4.864 1.00 0.00 H ATOM 920 HG11 VAL A 54 4.554 35.866 -7.260 1.00 0.00 H ATOM 921 HG12 VAL A 54 2.821 36.272 -7.294 1.00 0.00 H ATOM 922 HG13 VAL A 54 3.954 37.283 -6.364 1.00 0.00 H ATOM 923 HG21 VAL A 54 1.440 35.955 -5.204 1.00 0.00 H ATOM 924 HG22 VAL A 54 2.227 35.339 -3.731 1.00 0.00 H ATOM 925 HG23 VAL A 54 2.599 36.978 -4.321 1.00 0.00 H ATOM 926 H VAL A 54 3.235 33.459 -3.781 1.00 0.00 H ATOM 927 N CYS A 55 5.298 32.828 -6.160 1.00 43.11 N ATOM 928 CA CYS A 55 6.428 32.270 -6.895 1.00 44.96 C ATOM 929 C CYS A 55 5.971 31.156 -7.834 1.00 48.32 C ATOM 930 O CYS A 55 6.469 31.029 -8.956 1.00 49.26 O ATOM 931 CB CYS A 55 7.475 31.707 -5.930 1.00 41.94 C ATOM 932 SG CYS A 55 8.546 32.921 -5.087 1.00 39.13 S ATOM 933 HA CYS A 55 6.868 33.077 -7.481 1.00 0.00 H ATOM 934 HB2 CYS A 55 8.119 31.034 -6.496 1.00 0.00 H ATOM 935 HB3 CYS A 55 6.947 31.142 -5.162 1.00 0.00 H ATOM 936 H CYS A 55 5.288 32.763 -5.122 1.00 0.00 H ATOM 937 N GLY A 56 5.013 30.359 -7.369 1.00 50.43 N ATOM 938 CA GLY A 56 4.512 29.255 -8.164 1.00 53.87 C ATOM 939 C GLY A 56 3.578 29.583 -9.315 1.00 56.00 C ATOM 940 O GLY A 56 3.029 28.669 -9.929 1.00 57.39 O ATOM 941 HA3 GLY A 56 3.977 28.585 -7.491 1.00 0.00 H ATOM 942 HA2 GLY A 56 5.375 28.736 -8.582 1.00 0.00 H ATOM 943 H GLY A 56 4.618 30.530 -6.422 1.00 0.00 H ATOM 944 N ASN A 57 3.388 30.861 -9.631 1.00 57.58 N ATOM 945 CA ASN A 57 2.491 31.209 -10.728 1.00 58.99 C ATOM 946 C ASN A 57 3.213 31.547 -12.031 1.00 59.26 C ATOM 947 O ASN A 57 4.406 31.283 -12.181 1.00 59.14 O ATOM 948 CB ASN A 57 1.563 32.364 -10.319 1.00 60.26 C ATOM 949 CG ASN A 57 2.253 33.719 -10.327 1.00 61.44 C ATOM 950 OD1 ASN A 57 1.641 34.730 -9.983 1.00 63.39 O ATOM 951 ND2 ASN A 57 3.520 33.750 -10.722 1.00 62.29 N ATOM 952 HA ASN A 57 1.902 30.314 -10.929 1.00 0.00 H ATOM 953 HB2 ASN A 57 0.724 32.398 -11.015 1.00 0.00 H ATOM 954 HB3 ASN A 57 1.191 32.170 -9.313 1.00 0.00 H ATOM 955 HD22 ASN A 57 3.998 32.871 -11.004 1.00 0.00 H ATOM 956 HD21 ASN A 57 4.034 34.654 -10.749 1.00 0.00 H ATOM 957 H ASN A 57 3.877 31.609 -9.099 1.00 0.00 H ATOM 958 N GLN A 58 2.469 32.127 -12.968 1.00 59.81 N ATOM 959 CA GLN A 58 2.994 32.515 -14.274 1.00 60.70 C ATOM 960 C GLN A 58 4.322 33.252 -14.166 1.00 59.29 C ATOM 961 O GLN A 58 4.459 34.187 -13.382 1.00 60.59 O ATOM 962 CB GLN A 58 1.981 33.409 -14.998 1.00 63.86 C ATOM 963 CG GLN A 58 1.464 32.848 -16.318 1.00 66.98 C ATOM 964 CD GLN A 58 2.542 32.756 -17.380 1.00 68.68 C ATOM 965 OE1 GLN A 58 3.121 33.768 -17.784 1.00 69.44 O ATOM 966 NE2 GLN A 58 2.818 31.539 -17.841 1.00 69.14 N ATOM 967 HA GLN A 58 3.164 31.598 -14.838 1.00 0.00 H ATOM 968 HB2 GLN A 58 1.128 33.561 -14.336 1.00 0.00 H ATOM 969 HB3 GLN A 58 2.458 34.368 -15.200 1.00 0.00 H ATOM 970 HG2 GLN A 58 1.064 31.850 -16.140 1.00 0.00 H ATOM 971 HG3 GLN A 58 0.668 33.496 -16.684 1.00 0.00 H ATOM 972 HE22 GLN A 58 2.304 30.714 -17.471 1.00 0.00 H ATOM 973 HE21 GLN A 58 3.548 31.413 -18.571 1.00 0.00 H ATOM 974 H GLN A 58 1.467 32.313 -12.761 1.00 0.00 H ATOM 975 N SER A 59 5.293 32.828 -14.966 1.00 57.15 N ATOM 976 CA SER A 59 6.610 33.450 -14.971 1.00 54.59 C ATOM 977 C SER A 59 6.644 34.582 -15.999 1.00 52.00 C ATOM 978 O SER A 59 6.003 34.498 -17.047 1.00 52.93 O ATOM 979 CB SER A 59 7.675 32.400 -15.302 1.00 54.90 C ATOM 980 OG SER A 59 8.981 32.925 -15.155 1.00 58.55 O ATOM 981 HA SER A 59 6.818 33.865 -13.985 1.00 0.00 H ATOM 982 HB2 SER A 59 7.539 32.069 -16.332 1.00 0.00 H ATOM 983 HB3 SER A 59 7.556 31.550 -14.630 1.00 0.00 H ATOM 984 HG SER A 59 9.644 32.224 -15.376 1.00 0.00 H ATOM 985 H SER A 59 5.108 32.030 -15.607 1.00 0.00 H ATOM 986 N ILE A 60 7.379 35.646 -15.689 1.00 47.98 N ATOM 987 CA ILE A 60 7.506 36.792 -16.586 1.00 44.56 C ATOM 988 C ILE A 60 8.915 37.367 -16.478 1.00 42.92 C ATOM 989 O ILE A 60 9.636 37.068 -15.525 1.00 41.43 O ATOM 990 CB ILE A 60 6.491 37.915 -16.227 1.00 47.22 C ATOM 991 CG1 ILE A 60 6.728 38.395 -14.789 1.00 46.27 C ATOM 992 CG2 ILE A 60 5.062 37.402 -16.391 1.00 46.62 C ATOM 993 CD1 ILE A 60 5.911 39.611 -14.393 1.00 45.79 C ATOM 994 HA ILE A 60 7.302 36.444 -17.599 1.00 0.00 H ATOM 995 HB ILE A 60 6.637 38.757 -16.904 1.00 0.00 H ATOM 996 HG12 ILE A 60 6.477 37.579 -14.111 1.00 0.00 H ATOM 997 HG13 ILE A 60 7.784 38.643 -14.681 1.00 0.00 H ATOM 998 HD11 ILE A 60 6.158 40.443 -15.052 1.00 0.00 H ATOM 999 HD12 ILE A 60 4.850 39.378 -14.481 1.00 0.00 H ATOM 1000 HD13 ILE A 60 6.141 39.882 -13.362 1.00 0.00 H ATOM 1001 HG21 ILE A 60 4.905 37.093 -17.424 1.00 0.00 H ATOM 1002 HG22 ILE A 60 4.904 36.551 -15.728 1.00 0.00 H ATOM 1003 HG23 ILE A 60 4.361 38.197 -16.137 1.00 0.00 H ATOM 1004 H ILE A 60 7.880 35.663 -14.778 1.00 0.00 H ATOM 1005 N ARG A 61 9.307 38.185 -17.451 1.00 40.76 N ATOM 1006 CA ARG A 61 10.629 38.801 -17.434 1.00 40.67 C ATOM 1007 C ARG A 61 10.648 39.919 -16.412 1.00 40.42 C ATOM 1008 O ARG A 61 9.711 40.711 -16.321 1.00 41.19 O ATOM 1009 CB ARG A 61 11.005 39.346 -18.819 1.00 39.92 C ATOM 1010 CG ARG A 61 11.326 38.246 -19.822 1.00 42.84 C ATOM 1011 CD ARG A 61 11.777 38.777 -21.174 1.00 44.08 C ATOM 1012 NE ARG A 61 12.051 37.678 -22.099 1.00 44.25 N ATOM 1013 CZ ARG A 61 13.072 36.833 -21.984 1.00 45.37 C ATOM 1014 NH1 ARG A 61 13.936 36.954 -20.986 1.00 45.36 N ATOM 1015 NH2 ARG A 61 13.217 35.848 -22.859 1.00 47.38 N ATOM 1016 HA ARG A 61 11.363 38.042 -17.163 1.00 0.00 H ATOM 1017 HB2 ARG A 61 10.169 39.932 -19.201 1.00 0.00 H ATOM 1018 HB3 ARG A 61 11.880 39.988 -18.715 1.00 0.00 H ATOM 1019 HG2 ARG A 61 12.122 37.624 -19.411 1.00 0.00 H ATOM 1020 HG3 ARG A 61 10.432 37.640 -19.969 1.00 0.00 H ATOM 1021 HD2 ARG A 61 12.684 39.368 -21.042 1.00 0.00 H ATOM 1022 HD3 ARG A 61 10.992 39.408 -21.591 1.00 0.00 H ATOM 1023 HE ARG A 61 11.403 37.548 -22.902 1.00 0.00 H ATOM 1024 HH12 ARG A 61 14.731 36.289 -20.903 1.00 0.00 H ATOM 1025 HH11 ARG A 61 13.818 37.714 -20.286 1.00 0.00 H ATOM 1026 HH22 ARG A 61 14.015 35.187 -22.770 1.00 0.00 H ATOM 1027 HH21 ARG A 61 12.533 35.736 -23.634 1.00 0.00 H ATOM 1028 H ARG A 61 8.659 38.389 -18.238 1.00 0.00 H ATOM 1029 N CYS A 62 11.719 39.977 -15.632 1.00 38.62 N ATOM 1030 CA CYS A 62 11.839 40.991 -14.602 1.00 37.76 C ATOM 1031 C CYS A 62 11.947 42.398 -15.194 1.00 38.02 C ATOM 1032 O CYS A 62 12.867 42.696 -15.953 1.00 36.46 O ATOM 1033 CB CYS A 62 13.055 40.688 -13.728 1.00 35.84 C ATOM 1034 SG CYS A 62 12.993 39.077 -12.868 1.00 33.01 S ATOM 1035 HA CYS A 62 10.934 40.966 -13.996 1.00 0.00 H ATOM 1036 HB2 CYS A 62 13.137 41.472 -12.975 1.00 0.00 H ATOM 1037 HB3 CYS A 62 13.941 40.701 -14.362 1.00 0.00 H ATOM 1038 H CYS A 62 12.484 39.285 -15.761 1.00 0.00 H ATOM 1039 N PRO A 63 10.997 43.283 -14.848 1.00 39.39 N ATOM 1040 CA PRO A 63 10.967 44.666 -15.331 1.00 40.41 C ATOM 1041 C PRO A 63 12.308 45.395 -15.282 1.00 41.83 C ATOM 1042 O PRO A 63 12.720 46.012 -16.267 1.00 42.47 O ATOM 1043 CB PRO A 63 9.925 45.312 -14.428 1.00 41.44 C ATOM 1044 CG PRO A 63 8.936 44.215 -14.268 1.00 41.11 C ATOM 1045 CD PRO A 63 9.811 42.998 -14.020 1.00 39.98 C ATOM 1046 HA PRO A 63 10.729 44.713 -16.394 1.00 0.00 H ATOM 1047 HD3 PRO A 63 10.077 42.912 -12.967 1.00 0.00 H ATOM 1048 HD2 PRO A 63 9.315 42.083 -14.344 1.00 0.00 H ATOM 1049 HG3 PRO A 63 8.339 44.091 -15.171 1.00 0.00 H ATOM 1050 HG2 PRO A 63 8.276 44.403 -13.421 1.00 0.00 H ATOM 1051 HB2 PRO A 63 10.355 45.601 -13.469 1.00 0.00 H ATOM 1052 HB3 PRO A 63 9.476 46.185 -14.902 1.00 0.00 H ATOM 1053 N HIS A 64 12.993 45.322 -14.142 1.00 41.43 N ATOM 1054 CA HIS A 64 14.280 45.995 -13.989 1.00 42.49 C ATOM 1055 C HIS A 64 15.478 45.265 -14.606 1.00 42.86 C ATOM 1056 O HIS A 64 16.582 45.812 -14.672 1.00 44.34 O ATOM 1057 CB HIS A 64 14.521 46.299 -12.505 1.00 45.45 C ATOM 1058 CG HIS A 64 13.688 47.433 -11.989 1.00 47.40 C ATOM 1059 ND1 HIS A 64 14.125 48.741 -11.992 1.00 47.87 N ATOM 1060 CD2 HIS A 64 12.416 47.465 -11.523 1.00 48.59 C ATOM 1061 CE1 HIS A 64 13.160 49.529 -11.553 1.00 47.84 C ATOM 1062 NE2 HIS A 64 12.111 48.780 -11.263 1.00 50.37 N ATOM 1063 HA HIS A 64 14.208 46.918 -14.564 1.00 0.00 H ATOM 1064 HB2 HIS A 64 14.286 45.406 -11.926 1.00 0.00 H ATOM 1065 HB3 HIS A 64 15.572 46.552 -12.370 1.00 0.00 H ATOM 1066 HD2 HIS A 64 11.758 46.608 -11.381 1.00 0.00 H ATOM 1067 HE1 HIS A 64 13.219 50.612 -11.448 1.00 0.00 H ATOM 1068 H HIS A 64 12.604 44.776 -13.347 1.00 0.00 H ATOM 1069 N ASN A 65 15.261 44.033 -15.060 1.00 41.13 N ATOM 1070 CA ASN A 65 16.315 43.251 -15.711 1.00 39.34 C ATOM 1071 C ASN A 65 15.649 42.156 -16.536 1.00 37.39 C ATOM 1072 O ASN A 65 15.548 41.005 -16.103 1.00 34.72 O ATOM 1073 CB ASN A 65 17.273 42.631 -14.686 1.00 40.69 C ATOM 1074 CG ASN A 65 18.466 41.949 -15.345 1.00 44.18 C ATOM 1075 OD1 ASN A 65 19.363 41.441 -14.668 1.00 45.45 O ATOM 1076 ND2 ASN A 65 18.480 41.934 -16.676 1.00 43.21 N ATOM 1077 HA ASN A 65 16.908 43.907 -16.348 1.00 0.00 H ATOM 1078 HB2 ASN A 65 17.639 43.419 -14.028 1.00 0.00 H ATOM 1079 HB3 ASN A 65 16.728 41.892 -14.099 1.00 0.00 H ATOM 1080 HD22 ASN A 65 17.703 42.374 -17.209 1.00 0.00 H ATOM 1081 HD21 ASN A 65 19.268 41.482 -17.183 1.00 0.00 H ATOM 1082 H ASN A 65 14.316 43.613 -14.949 1.00 0.00 H ATOM 1083 N ARG A 66 15.196 42.547 -17.726 1.00 35.93 N ATOM 1084 CA ARG A 66 14.500 41.668 -18.664 1.00 35.20 C ATOM 1085 C ARG A 66 15.267 40.440 -19.142 1.00 33.98 C ATOM 1086 O ARG A 66 14.687 39.561 -19.779 1.00 34.60 O ATOM 1087 CB ARG A 66 14.052 42.471 -19.890 1.00 34.98 C ATOM 1088 CG ARG A 66 12.978 43.517 -19.629 1.00 35.24 C ATOM 1089 CD ARG A 66 12.698 44.312 -20.914 1.00 35.71 C ATOM 1090 NE ARG A 66 12.359 43.430 -22.033 1.00 31.68 N ATOM 1091 CZ ARG A 66 11.236 42.726 -22.106 1.00 30.62 C ATOM 1092 NH1 ARG A 66 10.347 42.808 -21.126 1.00 32.38 N ATOM 1093 NH2 ARG A 66 11.002 41.934 -23.145 1.00 28.61 N ATOM 1094 HA ARG A 66 13.661 41.277 -18.088 1.00 0.00 H ATOM 1095 HB2 ARG A 66 14.926 42.980 -20.296 1.00 0.00 H ATOM 1096 HB3 ARG A 66 13.666 41.769 -20.629 1.00 0.00 H ATOM 1097 HG2 ARG A 66 12.063 43.022 -19.303 1.00 0.00 H ATOM 1098 HG3 ARG A 66 13.319 44.198 -18.849 1.00 0.00 H ATOM 1099 HD2 ARG A 66 13.586 44.888 -21.174 1.00 0.00 H ATOM 1100 HD3 ARG A 66 11.865 44.992 -20.735 1.00 0.00 H ATOM 1101 HE ARG A 66 13.038 43.351 -22.817 1.00 0.00 H ATOM 1102 HH12 ARG A 66 9.465 42.259 -21.177 1.00 0.00 H ATOM 1103 HH11 ARG A 66 10.532 43.421 -20.306 1.00 0.00 H ATOM 1104 HH22 ARG A 66 10.119 41.386 -23.193 1.00 0.00 H ATOM 1105 HH21 ARG A 66 11.702 41.861 -23.911 1.00 0.00 H ATOM 1106 H ARG A 66 15.347 43.538 -18.005 1.00 0.00 H ATOM 1107 N THR A 67 16.565 40.371 -18.874 1.00 35.75 N ATOM 1108 CA THR A 67 17.318 39.196 -19.302 1.00 36.56 C ATOM 1109 C THR A 67 16.947 38.015 -18.398 1.00 36.72 C ATOM 1110 O THR A 67 17.193 36.857 -18.745 1.00 35.86 O ATOM 1111 CB THR A 67 18.854 39.439 -19.262 1.00 36.75 C ATOM 1112 OG1 THR A 67 19.283 39.652 -17.914 1.00 39.38 O ATOM 1113 CG2 THR A 67 19.216 40.660 -20.090 1.00 37.00 C ATOM 1114 HA THR A 67 17.056 38.979 -20.338 1.00 0.00 H ATOM 1115 HB THR A 67 19.350 38.559 -19.672 1.00 0.00 H ATOM 1116 HG1 THR A 67 20.261 39.805 -17.900 1.00 0.00 H ATOM 1117 HG23 THR A 67 18.893 40.508 -21.120 1.00 0.00 H ATOM 1118 HG21 THR A 67 18.718 41.538 -19.678 1.00 0.00 H ATOM 1119 HG22 THR A 67 20.296 40.808 -20.064 1.00 0.00 H ATOM 1120 H THR A 67 17.040 41.144 -18.366 1.00 0.00 H ATOM 1121 N LEU A 68 16.336 38.317 -17.251 1.00 35.45 N ATOM 1122 CA LEU A 68 15.914 37.287 -16.297 1.00 37.13 C ATOM 1123 C LEU A 68 14.428 36.973 -16.444 1.00 37.00 C ATOM 1124 O LEU A 68 13.587 37.866 -16.338 1.00 36.23 O ATOM 1125 CB LEU A 68 16.171 37.743 -14.859 1.00 39.15 C ATOM 1126 CG LEU A 68 17.596 37.768 -14.310 1.00 42.05 C ATOM 1127 CD1 LEU A 68 18.485 38.632 -15.180 1.00 46.16 C ATOM 1128 CD2 LEU A 68 17.560 38.298 -12.887 1.00 42.64 C ATOM 1129 HA LEU A 68 16.497 36.392 -16.514 1.00 0.00 H ATOM 1130 HB2 LEU A 68 15.784 38.758 -14.776 1.00 0.00 H ATOM 1131 HB3 LEU A 68 15.595 37.082 -14.211 1.00 0.00 H ATOM 1132 HG LEU A 68 18.009 36.759 -14.313 1.00 0.00 H ATOM 1133 HD21 LEU A 68 17.144 39.306 -12.886 1.00 0.00 H ATOM 1134 HD22 LEU A 68 16.938 37.647 -12.274 1.00 0.00 H ATOM 1135 HD23 LEU A 68 18.572 38.321 -12.483 1.00 0.00 H ATOM 1136 HD11 LEU A 68 18.502 38.229 -16.193 1.00 0.00 H ATOM 1137 HD12 LEU A 68 18.094 39.649 -15.199 1.00 0.00 H ATOM 1138 HD13 LEU A 68 19.496 38.637 -14.772 1.00 0.00 H ATOM 1139 H LEU A 68 16.153 39.316 -17.026 1.00 0.00 H ATOM 1140 N ASN A 69 14.106 35.704 -16.674 1.00 35.29 N ATOM 1141 CA ASN A 69 12.718 35.282 -16.833 1.00 38.77 C ATOM 1142 C ASN A 69 12.304 34.488 -15.597 1.00 39.19 C ATOM 1143 O ASN A 69 11.713 33.413 -15.703 1.00 40.46 O ATOM 1144 CB ASN A 69 12.578 34.424 -18.104 1.00 42.97 C ATOM 1145 CG ASN A 69 11.123 34.140 -18.475 1.00 47.11 C ATOM 1146 OD1 ASN A 69 10.269 35.027 -18.426 1.00 50.25 O ATOM 1147 ND2 ASN A 69 10.844 32.901 -18.866 1.00 49.52 N ATOM 1148 HA ASN A 69 12.069 36.151 -16.936 1.00 0.00 H ATOM 1149 HB2 ASN A 69 13.052 34.950 -18.933 1.00 0.00 H ATOM 1150 HB3 ASN A 69 13.087 33.474 -17.940 1.00 0.00 H ATOM 1151 HD22 ASN A 69 11.595 32.182 -18.893 1.00 0.00 H ATOM 1152 HD21 ASN A 69 9.874 32.650 -19.145 1.00 0.00 H ATOM 1153 H ASN A 69 14.863 34.994 -16.742 1.00 0.00 H ATOM 1154 N ASN A 70 12.611 35.037 -14.424 1.00 38.94 N ATOM 1155 CA ASN A 70 12.309 34.380 -13.153 1.00 39.17 C ATOM 1156 C ASN A 70 11.447 35.223 -12.211 1.00 37.36 C ATOM 1157 O ASN A 70 11.464 34.997 -11.001 1.00 35.55 O ATOM 1158 CB ASN A 70 13.616 34.037 -12.433 1.00 42.98 C ATOM 1159 CG ASN A 70 14.571 33.251 -13.304 1.00 46.41 C ATOM 1160 OD1 ASN A 70 14.371 32.062 -13.549 1.00 48.17 O ATOM 1161 ND2 ASN A 70 15.613 33.919 -13.789 1.00 47.60 N ATOM 1162 HA ASN A 70 11.737 33.486 -13.403 1.00 0.00 H ATOM 1163 HB2 ASN A 70 14.102 34.965 -12.130 1.00 0.00 H ATOM 1164 HB3 ASN A 70 13.382 33.445 -11.548 1.00 0.00 H ATOM 1165 HD22 ASN A 70 15.741 34.924 -13.555 1.00 0.00 H ATOM 1166 HD21 ASN A 70 16.300 33.437 -14.403 1.00 0.00 H ATOM 1167 H ASN A 70 13.081 35.964 -14.411 1.00 0.00 H ATOM 1168 N CYS A 71 10.705 36.185 -12.755 1.00 35.10 N ATOM 1169 CA CYS A 71 9.859 37.043 -11.934 1.00 34.50 C ATOM 1170 C CYS A 71 8.388 36.632 -11.931 1.00 36.96 C ATOM 1171 O CYS A 71 7.915 35.964 -12.853 1.00 36.25 O ATOM 1172 CB CYS A 71 10.021 38.510 -12.359 1.00 31.61 C ATOM 1173 SG CYS A 71 11.463 39.290 -11.549 1.00 32.36 S ATOM 1174 HA CYS A 71 10.200 36.923 -10.906 1.00 0.00 H ATOM 1175 HB2 CYS A 71 9.121 39.060 -12.085 1.00 0.00 H ATOM 1176 HB3 CYS A 71 10.156 38.553 -13.440 1.00 0.00 H ATOM 1177 H CYS A 71 10.729 36.327 -13.785 1.00 0.00 H ATOM 1178 N HIS A 72 7.677 37.030 -10.878 1.00 36.86 N ATOM 1179 CA HIS A 72 6.266 36.691 -10.705 1.00 39.91 C ATOM 1180 C HIS A 72 5.503 37.857 -10.067 1.00 41.71 C ATOM 1181 O HIS A 72 5.942 38.407 -9.054 1.00 40.79 O ATOM 1182 CB HIS A 72 6.145 35.468 -9.801 1.00 40.47 C ATOM 1183 CG HIS A 72 6.963 34.298 -10.252 1.00 44.49 C ATOM 1184 ND1 HIS A 72 6.515 33.391 -11.188 1.00 45.55 N ATOM 1185 CD2 HIS A 72 8.210 33.897 -9.907 1.00 44.77 C ATOM 1186 CE1 HIS A 72 7.449 32.479 -11.398 1.00 46.01 C ATOM 1187 NE2 HIS A 72 8.488 32.764 -10.634 1.00 45.59 N ATOM 1188 HA HIS A 72 5.838 36.481 -11.685 1.00 0.00 H ATOM 1189 HB2 HIS A 72 6.469 35.748 -8.799 1.00 0.00 H ATOM 1190 HB3 HIS A 72 5.098 35.165 -9.771 1.00 0.00 H ATOM 1191 HD2 HIS A 72 8.870 34.382 -9.187 1.00 0.00 H ATOM 1192 HE1 HIS A 72 7.374 31.636 -12.085 1.00 0.00 H ATOM 1193 H HIS A 72 8.145 37.606 -10.149 1.00 0.00 H ATOM 1194 N ARG A 73 4.363 38.223 -10.651 1.00 42.66 N ATOM 1195 CA ARG A 73 3.555 39.323 -10.121 1.00 44.60 C ATOM 1196 C ARG A 73 2.404 38.796 -9.263 1.00 44.11 C ATOM 1197 O ARG A 73 1.805 37.770 -9.583 1.00 45.26 O ATOM 1198 CB ARG A 73 2.980 40.164 -11.264 1.00 46.25 C ATOM 1199 CG ARG A 73 2.654 41.584 -10.853 1.00 49.35 C ATOM 1200 CD ARG A 73 1.643 42.222 -11.771 1.00 54.11 C ATOM 1201 NE ARG A 73 0.349 41.560 -11.656 1.00 58.94 N ATOM 1202 CZ ARG A 73 -0.805 42.106 -12.022 1.00 60.67 C ATOM 1203 NH1 ARG A 73 -0.831 43.332 -12.528 1.00 61.52 N ATOM 1204 NH2 ARG A 73 -1.936 41.426 -11.875 1.00 62.10 N ATOM 1205 HA ARG A 73 4.206 39.941 -9.502 1.00 0.00 H ATOM 1206 HB2 ARG A 73 3.710 40.196 -12.073 1.00 0.00 H ATOM 1207 HB3 ARG A 73 2.067 39.687 -11.620 1.00 0.00 H ATOM 1208 HG2 ARG A 73 2.252 41.573 -9.840 1.00 0.00 H ATOM 1209 HG3 ARG A 73 3.570 42.175 -10.873 1.00 0.00 H ATOM 1210 HD2 ARG A 73 1.995 42.144 -12.800 1.00 0.00 H ATOM 1211 HD3 ARG A 73 1.532 43.273 -11.505 1.00 0.00 H ATOM 1212 HE ARG A 73 0.328 40.598 -11.262 1.00 0.00 H ATOM 1213 HH12 ARG A 73 -1.736 43.757 -12.814 1.00 0.00 H ATOM 1214 HH11 ARG A 73 0.054 43.868 -12.639 1.00 0.00 H ATOM 1215 HH22 ARG A 73 -2.840 41.853 -12.161 1.00 0.00 H ATOM 1216 HH21 ARG A 73 -1.918 40.467 -11.474 1.00 0.00 H ATOM 1217 H ARG A 73 4.040 37.717 -11.501 1.00 0.00 H ATOM 1218 N SER A 74 2.100 39.489 -8.167 1.00 43.67 N ATOM 1219 CA SER A 74 1.004 39.064 -7.301 1.00 43.80 C ATOM 1220 C SER A 74 -0.311 39.299 -8.043 1.00 44.92 C ATOM 1221 O SER A 74 -0.401 40.177 -8.905 1.00 44.18 O ATOM 1222 CB SER A 74 1.002 39.858 -5.986 1.00 40.98 C ATOM 1223 OG SER A 74 0.783 41.239 -6.220 1.00 37.46 O ATOM 1224 HA SER A 74 1.126 38.009 -7.057 1.00 0.00 H ATOM 1225 HB2 SER A 74 1.965 39.729 -5.491 1.00 0.00 H ATOM 1226 HB3 SER A 74 0.210 39.477 -5.341 1.00 0.00 H ATOM 1227 HG SER A 74 -0.093 41.362 -6.665 1.00 0.00 H ATOM 1228 H SER A 74 2.648 40.340 -7.926 1.00 0.00 H ATOM 1229 N ARG A 75 -1.326 38.512 -7.716 1.00 47.80 N ATOM 1230 CA ARG A 75 -2.620 38.662 -8.370 1.00 51.47 C ATOM 1231 C ARG A 75 -3.414 39.813 -7.766 1.00 50.77 C ATOM 1232 O ARG A 75 -4.204 40.454 -8.456 1.00 51.80 O ATOM 1233 CB ARG A 75 -3.429 37.369 -8.260 1.00 54.29 C ATOM 1234 CG ARG A 75 -3.659 36.890 -6.837 1.00 59.59 C ATOM 1235 CD ARG A 75 -4.705 35.775 -6.772 1.00 64.24 C ATOM 1236 NE ARG A 75 -4.388 34.642 -7.642 1.00 69.05 N ATOM 1237 CZ ARG A 75 -4.644 34.598 -8.948 1.00 70.97 C ATOM 1238 NH1 ARG A 75 -5.230 35.626 -9.552 1.00 71.92 N ATOM 1239 NH2 ARG A 75 -4.311 33.524 -9.654 1.00 71.62 N ATOM 1240 HA ARG A 75 -2.434 38.883 -9.421 1.00 0.00 H ATOM 1241 HB2 ARG A 75 -4.401 37.534 -8.725 1.00 0.00 H ATOM 1242 HB3 ARG A 75 -2.897 36.587 -8.801 1.00 0.00 H ATOM 1243 HG2 ARG A 75 -2.718 36.515 -6.435 1.00 0.00 H ATOM 1244 HG3 ARG A 75 -4.001 37.730 -6.233 1.00 0.00 H ATOM 1245 HD2 ARG A 75 -5.669 36.185 -7.073 1.00 0.00 H ATOM 1246 HD3 ARG A 75 -4.768 35.417 -5.744 1.00 0.00 H ATOM 1247 HE ARG A 75 -3.931 33.814 -7.210 1.00 0.00 H ATOM 1248 HH12 ARG A 75 -5.427 35.586 -10.572 1.00 0.00 H ATOM 1249 HH11 ARG A 75 -5.491 36.471 -9.005 1.00 0.00 H ATOM 1250 HH22 ARG A 75 -4.511 33.490 -10.674 1.00 0.00 H ATOM 1251 HH21 ARG A 75 -3.850 32.717 -9.187 1.00 0.00 H ATOM 1252 H ARG A 75 -1.198 37.781 -6.987 1.00 0.00 H ATOM 1253 N PHE A 76 -3.191 40.074 -6.481 1.00 50.18 N ATOM 1254 CA PHE A 76 -3.889 41.143 -5.767 1.00 49.29 C ATOM 1255 C PHE A 76 -2.953 42.235 -5.243 1.00 46.21 C ATOM 1256 O PHE A 76 -1.757 42.009 -5.051 1.00 43.76 O ATOM 1257 CB PHE A 76 -4.660 40.555 -4.580 1.00 53.16 C ATOM 1258 CG PHE A 76 -5.837 39.705 -4.974 1.00 58.61 C ATOM 1259 CD1 PHE A 76 -6.391 38.805 -4.065 1.00 60.41 C ATOM 1260 CD2 PHE A 76 -6.406 39.814 -6.243 1.00 59.71 C ATOM 1261 CE1 PHE A 76 -7.492 38.025 -4.414 1.00 61.91 C ATOM 1262 CE2 PHE A 76 -7.508 39.039 -6.601 1.00 61.11 C ATOM 1263 CZ PHE A 76 -8.052 38.143 -5.686 1.00 61.76 C ATOM 1264 HA PHE A 76 -4.562 41.604 -6.490 1.00 0.00 H ATOM 1265 HB2 PHE A 76 -3.974 39.941 -3.996 1.00 0.00 H ATOM 1266 HB3 PHE A 76 -5.023 41.379 -3.965 1.00 0.00 H ATOM 1267 HD2 PHE A 76 -5.984 40.514 -6.964 1.00 0.00 H ATOM 1268 HE2 PHE A 76 -7.943 39.135 -7.596 1.00 0.00 H ATOM 1269 HZ PHE A 76 -8.913 37.535 -5.962 1.00 0.00 H ATOM 1270 HE1 PHE A 76 -7.915 37.324 -3.694 1.00 0.00 H ATOM 1271 HD1 PHE A 76 -5.958 38.710 -3.069 1.00 0.00 H ATOM 1272 H PHE A 76 -2.496 39.498 -5.966 1.00 0.00 H ATOM 1273 N ARG A 77 -3.506 43.421 -5.021 1.00 42.05 N ATOM 1274 CA ARG A 77 -2.728 44.524 -4.478 1.00 40.95 C ATOM 1275 C ARG A 77 -2.608 44.248 -2.981 1.00 38.62 C ATOM 1276 O ARG A 77 -3.557 43.782 -2.355 1.00 39.10 O ATOM 1277 CB ARG A 77 -3.437 45.856 -4.731 1.00 41.78 C ATOM 1278 CG ARG A 77 -3.218 46.413 -6.131 1.00 45.67 C ATOM 1279 CD ARG A 77 -3.944 47.737 -6.333 1.00 50.72 C ATOM 1280 NE ARG A 77 -5.320 47.541 -6.782 1.00 58.07 N ATOM 1281 CZ ARG A 77 -5.682 47.412 -8.058 1.00 59.49 C ATOM 1282 NH1 ARG A 77 -4.772 47.466 -9.021 1.00 60.76 N ATOM 1283 NH2 ARG A 77 -6.957 47.221 -8.372 1.00 61.21 N ATOM 1284 HA ARG A 77 -1.748 44.597 -4.949 1.00 0.00 H ATOM 1285 HB2 ARG A 77 -4.507 45.710 -4.583 1.00 0.00 H ATOM 1286 HB3 ARG A 77 -3.068 46.585 -4.009 1.00 0.00 H ATOM 1287 HG2 ARG A 77 -2.150 46.568 -6.286 1.00 0.00 H ATOM 1288 HG3 ARG A 77 -3.589 45.692 -6.860 1.00 0.00 H ATOM 1289 HD2 ARG A 77 -3.409 48.322 -7.081 1.00 0.00 H ATOM 1290 HD3 ARG A 77 -3.955 48.281 -5.388 1.00 0.00 H ATOM 1291 HE ARG A 77 -6.066 47.499 -6.059 1.00 0.00 H ATOM 1292 HH12 ARG A 77 -5.060 47.365 -10.015 1.00 0.00 H ATOM 1293 HH11 ARG A 77 -3.770 47.610 -8.782 1.00 0.00 H ATOM 1294 HH22 ARG A 77 -7.238 47.121 -9.368 1.00 0.00 H ATOM 1295 HH21 ARG A 77 -7.676 47.172 -7.622 1.00 0.00 H ATOM 1296 H ARG A 77 -4.513 43.564 -5.239 1.00 0.00 H ATOM 1297 N VAL A 78 -1.440 44.515 -2.409 1.00 35.70 N ATOM 1298 CA VAL A 78 -1.217 44.256 -0.992 1.00 33.44 C ATOM 1299 C VAL A 78 -0.806 45.534 -0.261 1.00 31.89 C ATOM 1300 O VAL A 78 -0.139 46.392 -0.838 1.00 30.79 O ATOM 1301 CB VAL A 78 -0.100 43.180 -0.810 1.00 34.96 C ATOM 1302 CG1 VAL A 78 1.240 43.746 -1.228 1.00 34.09 C ATOM 1303 CG2 VAL A 78 -0.043 42.703 0.625 1.00 39.09 C ATOM 1304 HA VAL A 78 -2.152 43.891 -0.567 1.00 0.00 H ATOM 1305 HB VAL A 78 -0.337 42.326 -1.444 1.00 0.00 H ATOM 1306 HG11 VAL A 78 1.196 44.044 -2.276 1.00 0.00 H ATOM 1307 HG12 VAL A 78 1.475 44.614 -0.612 1.00 0.00 H ATOM 1308 HG13 VAL A 78 2.011 42.987 -1.097 1.00 0.00 H ATOM 1309 HG21 VAL A 78 0.172 43.548 1.279 1.00 0.00 H ATOM 1310 HG22 VAL A 78 -1.003 42.265 0.899 1.00 0.00 H ATOM 1311 HG23 VAL A 78 0.742 41.954 0.727 1.00 0.00 H ATOM 1312 H VAL A 78 -0.670 44.916 -2.982 1.00 0.00 H ATOM 1313 N PRO A 79 -1.233 45.695 1.005 1.00 29.95 N ATOM 1314 CA PRO A 79 -0.844 46.907 1.738 1.00 29.05 C ATOM 1315 C PRO A 79 0.672 46.901 1.969 1.00 27.49 C ATOM 1316 O PRO A 79 1.275 45.839 2.164 1.00 26.19 O ATOM 1317 CB PRO A 79 -1.660 46.820 3.040 1.00 29.51 C ATOM 1318 CG PRO A 79 -2.030 45.365 3.155 1.00 33.23 C ATOM 1319 CD PRO A 79 -2.271 44.941 1.732 1.00 31.30 C ATOM 1320 HA PRO A 79 -1.048 47.840 1.213 1.00 0.00 H ATOM 1321 HD3 PRO A 79 -2.137 43.866 1.611 1.00 0.00 H ATOM 1322 HD2 PRO A 79 -3.270 45.221 1.399 1.00 0.00 H ATOM 1323 HG3 PRO A 79 -2.931 45.240 3.756 1.00 0.00 H ATOM 1324 HG2 PRO A 79 -1.216 44.791 3.599 1.00 0.00 H ATOM 1325 HB2 PRO A 79 -1.059 47.134 3.894 1.00 0.00 H ATOM 1326 HB3 PRO A 79 -2.553 47.442 2.978 1.00 0.00 H ATOM 1327 N LEU A 80 1.277 48.082 1.931 1.00 25.63 N ATOM 1328 CA LEU A 80 2.722 48.221 2.098 1.00 29.00 C ATOM 1329 C LEU A 80 3.105 49.361 3.027 1.00 28.18 C ATOM 1330 O LEU A 80 2.310 50.264 3.303 1.00 27.09 O ATOM 1331 CB LEU A 80 3.389 48.542 0.755 1.00 33.06 C ATOM 1332 CG LEU A 80 2.896 47.964 -0.564 1.00 34.96 C ATOM 1333 CD1 LEU A 80 3.519 48.747 -1.707 1.00 35.03 C ATOM 1334 CD2 LEU A 80 3.261 46.499 -0.649 1.00 37.03 C ATOM 1335 HA LEU A 80 3.054 47.270 2.515 1.00 0.00 H ATOM 1336 HB2 LEU A 80 3.344 49.626 0.646 1.00 0.00 H ATOM 1337 HB3 LEU A 80 4.429 48.231 0.852 1.00 0.00 H ATOM 1338 HG LEU A 80 1.811 48.046 -0.628 1.00 0.00 H ATOM 1339 HD21 LEU A 80 4.344 46.392 -0.590 1.00 0.00 H ATOM 1340 HD22 LEU A 80 2.796 45.961 0.177 1.00 0.00 H ATOM 1341 HD23 LEU A 80 2.905 46.092 -1.595 1.00 0.00 H ATOM 1342 HD11 LEU A 80 3.226 49.794 -1.630 1.00 0.00 H ATOM 1343 HD12 LEU A 80 4.605 48.667 -1.651 1.00 0.00 H ATOM 1344 HD13 LEU A 80 3.171 48.340 -2.657 1.00 0.00 H ATOM 1345 H LEU A 80 0.704 48.936 1.777 1.00 0.00 H ATOM 1346 N LEU A 81 4.355 49.325 3.472 1.00 27.09 N ATOM 1347 CA LEU A 81 4.900 50.383 4.305 1.00 26.07 C ATOM 1348 C LEU A 81 6.233 50.783 3.671 1.00 27.08 C ATOM 1349 O LEU A 81 7.170 49.975 3.614 1.00 25.78 O ATOM 1350 CB LEU A 81 5.136 49.909 5.745 1.00 27.54 C ATOM 1351 CG LEU A 81 5.884 50.917 6.636 1.00 29.13 C ATOM 1352 CD1 LEU A 81 5.124 52.228 6.669 1.00 28.52 C ATOM 1353 CD2 LEU A 81 6.042 50.359 8.049 1.00 29.66 C ATOM 1354 HA LEU A 81 4.201 51.217 4.358 1.00 0.00 H ATOM 1355 HB2 LEU A 81 4.166 49.706 6.200 1.00 0.00 H ATOM 1356 HB3 LEU A 81 5.719 48.988 5.709 1.00 0.00 H ATOM 1357 HG LEU A 81 6.877 51.091 6.222 1.00 0.00 H ATOM 1358 HD21 LEU A 81 5.057 50.168 8.475 1.00 0.00 H ATOM 1359 HD22 LEU A 81 6.609 49.429 8.010 1.00 0.00 H ATOM 1360 HD23 LEU A 81 6.573 51.083 8.667 1.00 0.00 H ATOM 1361 HD11 LEU A 81 5.045 52.626 5.657 1.00 0.00 H ATOM 1362 HD12 LEU A 81 4.126 52.058 7.073 1.00 0.00 H ATOM 1363 HD13 LEU A 81 5.656 52.939 7.301 1.00 0.00 H ATOM 1364 H LEU A 81 4.960 48.518 3.218 1.00 0.00 H ATOM 1365 N HIS A 82 6.295 52.009 3.160 1.00 25.14 N ATOM 1366 CA HIS A 82 7.516 52.541 2.561 1.00 24.76 C ATOM 1367 C HIS A 82 8.270 53.298 3.658 1.00 25.75 C ATOM 1368 O HIS A 82 7.666 54.062 4.410 1.00 25.58 O ATOM 1369 CB HIS A 82 7.194 53.544 1.442 1.00 26.39 C ATOM 1370 CG HIS A 82 6.550 52.939 0.233 1.00 28.97 C ATOM 1371 ND1 HIS A 82 7.230 52.121 -0.644 1.00 30.90 N ATOM 1372 CD2 HIS A 82 5.298 53.070 -0.268 1.00 28.01 C ATOM 1373 CE1 HIS A 82 6.426 51.778 -1.636 1.00 30.59 C ATOM 1374 NE2 HIS A 82 5.249 52.341 -1.432 1.00 31.30 N ATOM 1375 HA HIS A 82 8.097 51.719 2.143 1.00 0.00 H ATOM 1376 HB2 HIS A 82 6.520 54.300 1.845 1.00 0.00 H ATOM 1377 HB3 HIS A 82 8.125 54.018 1.131 1.00 0.00 H ATOM 1378 HD2 HIS A 82 4.483 53.646 0.170 1.00 0.00 H ATOM 1379 HE1 HIS A 82 6.690 51.139 -2.479 1.00 0.00 H ATOM 1380 H HIS A 82 5.446 52.609 3.188 1.00 0.00 H ATOM 1381 N CYS A 83 9.580 53.087 3.744 1.00 24.28 N ATOM 1382 CA CYS A 83 10.418 53.775 4.722 1.00 25.13 C ATOM 1383 C CYS A 83 11.345 54.704 3.945 1.00 25.71 C ATOM 1384 O CYS A 83 12.180 54.238 3.175 1.00 22.93 O ATOM 1385 CB CYS A 83 11.239 52.767 5.523 1.00 24.92 C ATOM 1386 SG CYS A 83 10.262 51.692 6.624 1.00 26.41 S ATOM 1387 HA CYS A 83 9.804 54.336 5.426 1.00 0.00 H ATOM 1388 HB2 CYS A 83 11.953 53.319 6.134 1.00 0.00 H ATOM 1389 HB3 CYS A 83 11.778 52.133 4.820 1.00 0.00 H ATOM 1390 H CYS A 83 10.023 52.408 3.092 1.00 0.00 H ATOM 1391 N ASP A 84 11.191 56.014 4.143 1.00 27.38 N ATOM 1392 CA ASP A 84 11.993 57.007 3.423 1.00 28.99 C ATOM 1393 C ASP A 84 13.042 57.684 4.309 1.00 29.41 C ATOM 1394 O ASP A 84 12.710 58.251 5.349 1.00 28.63 O ATOM 1395 CB ASP A 84 11.081 58.096 2.825 1.00 31.30 C ATOM 1396 CG ASP A 84 9.960 57.528 1.949 1.00 33.85 C ATOM 1397 OD1 ASP A 84 10.244 56.689 1.066 1.00 32.52 O ATOM 1398 OD2 ASP A 84 8.792 57.935 2.141 1.00 29.53 O ATOM 1399 HA ASP A 84 12.516 56.464 2.636 1.00 0.00 H ATOM 1400 HB2 ASP A 84 10.631 58.659 3.643 1.00 0.00 H ATOM 1401 HB3 ASP A 84 11.691 58.765 2.218 1.00 0.00 H ATOM 1402 H ASP A 84 10.481 56.340 4.829 1.00 0.00 H ATOM 1403 N LEU A 85 14.301 57.643 3.880 1.00 29.89 N ATOM 1404 CA LEU A 85 15.385 58.262 4.643 1.00 31.08 C ATOM 1405 C LEU A 85 15.249 59.782 4.634 1.00 34.28 C ATOM 1406 O LEU A 85 15.056 60.391 3.577 1.00 32.60 O ATOM 1407 CB LEU A 85 16.750 57.877 4.058 1.00 30.43 C ATOM 1408 CG LEU A 85 17.967 58.452 4.803 1.00 30.29 C ATOM 1409 CD1 LEU A 85 17.966 57.960 6.246 1.00 27.75 C ATOM 1410 CD2 LEU A 85 19.257 58.028 4.098 1.00 28.57 C ATOM 1411 HA LEU A 85 15.318 57.899 5.668 1.00 0.00 H ATOM 1412 HB2 LEU A 85 16.829 56.790 4.071 1.00 0.00 H ATOM 1413 HB3 LEU A 85 16.787 58.230 3.027 1.00 0.00 H ATOM 1414 HG LEU A 85 17.910 59.540 4.801 1.00 0.00 H ATOM 1415 HD21 LEU A 85 19.323 56.940 4.087 1.00 0.00 H ATOM 1416 HD22 LEU A 85 19.251 58.404 3.075 1.00 0.00 H ATOM 1417 HD23 LEU A 85 20.114 58.439 4.632 1.00 0.00 H ATOM 1418 HD11 LEU A 85 17.051 58.288 6.740 1.00 0.00 H ATOM 1419 HD12 LEU A 85 18.016 56.871 6.257 1.00 0.00 H ATOM 1420 HD13 LEU A 85 18.830 58.370 6.769 1.00 0.00 H ATOM 1421 H LEU A 85 14.519 57.161 2.984 1.00 0.00 H ATOM 1422 N ILE A 86 15.367 60.388 5.812 1.00 37.93 N ATOM 1423 CA ILE A 86 15.252 61.840 5.952 1.00 44.73 C ATOM 1424 C ILE A 86 16.590 62.578 5.870 1.00 49.27 C ATOM 1425 O ILE A 86 16.688 63.625 5.229 1.00 50.57 O ATOM 1426 CB ILE A 86 14.579 62.213 7.291 1.00 43.53 C ATOM 1427 CG1 ILE A 86 13.122 61.749 7.283 1.00 42.84 C ATOM 1428 CG2 ILE A 86 14.661 63.717 7.518 1.00 45.02 C ATOM 1429 CD1 ILE A 86 12.426 61.933 8.602 1.00 45.65 C ATOM 1430 HA ILE A 86 14.642 62.157 5.106 1.00 0.00 H ATOM 1431 HB ILE A 86 15.102 61.714 8.107 1.00 0.00 H ATOM 1432 HG12 ILE A 86 12.583 62.318 6.526 1.00 0.00 H ATOM 1433 HG13 ILE A 86 13.098 60.690 7.025 1.00 0.00 H ATOM 1434 HD11 ILE A 86 12.947 61.360 9.369 1.00 0.00 H ATOM 1435 HD12 ILE A 86 12.431 62.990 8.870 1.00 0.00 H ATOM 1436 HD13 ILE A 86 11.397 61.582 8.521 1.00 0.00 H ATOM 1437 HG21 ILE A 86 15.707 64.022 7.546 1.00 0.00 H ATOM 1438 HG22 ILE A 86 14.152 64.234 6.705 1.00 0.00 H ATOM 1439 HG23 ILE A 86 14.183 63.967 8.465 1.00 0.00 H ATOM 1440 H ILE A 86 15.546 59.812 6.659 1.00 0.00 H ATOM 1441 N ASN A 87 17.609 62.032 6.523 1.00 54.90 N ATOM 1442 CA ASN A 87 18.935 62.647 6.543 1.00 62.26 C ATOM 1443 C ASN A 87 19.930 61.960 5.600 1.00 66.27 C ATOM 1444 O ASN A 87 20.770 61.168 6.040 1.00 66.76 O ATOM 1445 CB ASN A 87 19.478 62.627 7.978 1.00 63.73 C ATOM 1446 CG ASN A 87 19.424 61.238 8.607 1.00 65.19 C ATOM 1447 OD1 ASN A 87 18.354 60.640 8.742 1.00 63.78 O ATOM 1448 ND2 ASN A 87 20.585 60.721 8.995 1.00 66.31 N ATOM 1449 HA ASN A 87 18.824 63.671 6.187 1.00 0.00 H ATOM 1450 HB2 ASN A 87 20.514 62.964 7.964 1.00 0.00 H ATOM 1451 HB3 ASN A 87 18.884 63.309 8.586 1.00 0.00 H ATOM 1452 HD22 ASN A 87 21.465 61.260 8.862 1.00 0.00 H ATOM 1453 HD21 ASN A 87 20.614 59.777 9.431 1.00 0.00 H ATOM 1454 H ASN A 87 17.459 61.140 7.036 1.00 0.00 H ATOM 1455 N PRO A 88 19.857 62.265 4.291 1.00 69.57 N ATOM 1456 CA PRO A 88 20.760 61.660 3.306 1.00 72.85 C ATOM 1457 C PRO A 88 22.165 62.266 3.318 1.00 75.76 C ATOM 1458 O PRO A 88 22.338 63.472 3.120 1.00 76.26 O ATOM 1459 CB PRO A 88 20.030 61.900 1.990 1.00 72.27 C ATOM 1460 CG PRO A 88 19.427 63.248 2.209 1.00 72.19 C ATOM 1461 CD PRO A 88 18.887 63.157 3.629 1.00 70.28 C ATOM 1462 HA PRO A 88 20.952 60.606 3.507 1.00 0.00 H ATOM 1463 HD3 PRO A 88 18.866 64.137 4.105 1.00 0.00 H ATOM 1464 HD2 PRO A 88 17.885 62.727 3.642 1.00 0.00 H ATOM 1465 HG3 PRO A 88 18.625 63.439 1.496 1.00 0.00 H ATOM 1466 HG2 PRO A 88 20.180 64.032 2.126 1.00 0.00 H ATOM 1467 HB2 PRO A 88 20.723 61.908 1.148 1.00 0.00 H ATOM 1468 HB3 PRO A 88 19.262 61.145 1.820 1.00 0.00 H ATOM 1469 N GLY A 89 23.163 61.418 3.550 1.00 78.43 N ATOM 1470 CA GLY A 89 24.540 61.880 3.587 1.00 80.86 C ATOM 1471 C GLY A 89 24.826 62.712 4.823 1.00 82.55 C ATOM 1472 O GLY A 89 25.980 62.869 5.227 1.00 83.37 O ATOM 1473 HA3 GLY A 89 24.732 62.486 2.702 1.00 0.00 H ATOM 1474 HA2 GLY A 89 25.202 61.014 3.584 1.00 0.00 H ATOM 1475 H GLY A 89 22.955 60.411 3.707 1.00 0.00 H ATOM 1476 N ALA A 90 23.767 63.242 5.426 1.00 83.61 N ATOM 1477 CA ALA A 90 23.888 64.066 6.619 1.00 84.59 C ATOM 1478 C ALA A 90 24.423 63.275 7.810 1.00 85.32 C ATOM 1479 O ALA A 90 25.610 62.944 7.867 1.00 85.58 O ATOM 1480 CB ALA A 90 22.533 64.681 6.964 1.00 84.68 C ATOM 1481 HA ALA A 90 24.607 64.857 6.403 1.00 0.00 H ATOM 1482 HB1 ALA A 90 22.193 65.298 6.132 1.00 0.00 H ATOM 1483 HB2 ALA A 90 21.810 63.886 7.147 1.00 0.00 H ATOM 1484 HB3 ALA A 90 22.632 65.296 7.858 1.00 0.00 H ATOM 1485 H ALA A 90 22.821 63.062 5.032 1.00 0.00 H ATOM 1486 N GLN A 91 23.535 62.968 8.752 1.00 85.90 N ATOM 1487 CA GLN A 91 23.889 62.236 9.966 1.00 85.97 C ATOM 1488 C GLN A 91 24.500 60.849 9.737 1.00 85.21 C ATOM 1489 O GLN A 91 24.199 60.170 8.751 1.00 84.88 O ATOM 1490 CB GLN A 91 22.654 62.131 10.868 1.00 87.01 C ATOM 1491 CG GLN A 91 22.112 63.493 11.303 1.00 88.15 C ATOM 1492 CD GLN A 91 20.715 63.420 11.891 1.00 88.74 C ATOM 1493 OE1 GLN A 91 20.478 62.728 12.883 1.00 89.14 O ATOM 1494 NE2 GLN A 91 19.779 64.140 11.280 1.00 88.95 N ATOM 1495 HA GLN A 91 24.681 62.812 10.444 1.00 0.00 H ATOM 1496 HB2 GLN A 91 21.871 61.603 10.324 1.00 0.00 H ATOM 1497 HB3 GLN A 91 22.922 61.563 11.759 1.00 0.00 H ATOM 1498 HG2 GLN A 91 22.783 63.909 12.054 1.00 0.00 H ATOM 1499 HG3 GLN A 91 22.089 64.151 10.434 1.00 0.00 H ATOM 1500 HE22 GLN A 91 20.024 64.710 10.445 1.00 0.00 H ATOM 1501 HE21 GLN A 91 18.802 64.133 11.637 1.00 0.00 H ATOM 1502 H GLN A 91 22.546 63.262 8.618 1.00 0.00 H ATOM 1503 N ASN A 92 25.362 60.447 10.669 1.00 84.22 N ATOM 1504 CA ASN A 92 26.061 59.164 10.625 1.00 82.90 C ATOM 1505 C ASN A 92 25.143 57.965 10.418 1.00 81.25 C ATOM 1506 O ASN A 92 23.932 58.053 10.618 1.00 81.21 O ATOM 1507 CB ASN A 92 26.855 58.960 11.920 1.00 84.04 C ATOM 1508 CG ASN A 92 27.922 60.017 12.123 1.00 85.05 C ATOM 1509 OD1 ASN A 92 27.631 61.214 12.144 1.00 84.97 O ATOM 1510 ND2 ASN A 92 29.169 59.578 12.276 1.00 85.42 N ATOM 1511 HA ASN A 92 26.720 59.213 9.758 1.00 0.00 H ATOM 1512 HB2 ASN A 92 26.164 58.995 12.762 1.00 0.00 H ATOM 1513 HB3 ASN A 92 27.335 57.982 11.885 1.00 0.00 H ATOM 1514 HD22 ASN A 92 29.368 58.557 12.251 1.00 0.00 H ATOM 1515 HD21 ASN A 92 29.945 60.255 12.420 1.00 0.00 H ATOM 1516 H ASN A 92 25.548 61.081 11.472 1.00 0.00 H ATOM 1517 N ILE A 93 25.738 56.841 10.028 1.00 79.07 N ATOM 1518 CA ILE A 93 24.990 55.611 9.801 1.00 76.97 C ATOM 1519 C ILE A 93 24.500 55.042 11.134 1.00 75.85 C ATOM 1520 O ILE A 93 23.935 53.949 11.193 1.00 75.85 O ATOM 1521 CB ILE A 93 25.861 54.550 9.074 1.00 76.79 C ATOM 1522 CG1 ILE A 93 25.030 53.294 8.795 1.00 76.15 C ATOM 1523 CG2 ILE A 93 27.090 54.219 9.910 1.00 76.88 C ATOM 1524 CD1 ILE A 93 25.778 52.203 8.086 1.00 76.11 C ATOM 1525 HA ILE A 93 24.136 55.850 9.167 1.00 0.00 H ATOM 1526 HB ILE A 93 26.199 54.955 8.120 1.00 0.00 H ATOM 1527 HG12 ILE A 93 24.674 52.901 9.748 1.00 0.00 H ATOM 1528 HG13 ILE A 93 24.177 53.579 8.180 1.00 0.00 H ATOM 1529 HD11 ILE A 93 26.131 52.573 7.123 1.00 0.00 H ATOM 1530 HD12 ILE A 93 26.629 51.894 8.693 1.00 0.00 H ATOM 1531 HD13 ILE A 93 25.115 51.352 7.929 1.00 0.00 H ATOM 1532 HG21 ILE A 93 27.679 55.123 10.061 1.00 0.00 H ATOM 1533 HG22 ILE A 93 26.775 53.823 10.876 1.00 0.00 H ATOM 1534 HG23 ILE A 93 27.692 53.474 9.389 1.00 0.00 H ATOM 1535 H ILE A 93 26.768 56.840 9.881 1.00 0.00 H ATOM 1536 N SER A 94 24.716 55.795 12.207 1.00 73.98 N ATOM 1537 CA SER A 94 24.291 55.361 13.529 1.00 72.35 C ATOM 1538 C SER A 94 23.014 56.069 13.982 1.00 70.05 C ATOM 1539 O SER A 94 22.278 55.554 14.826 1.00 70.58 O ATOM 1540 CB SER A 94 25.414 55.598 14.547 1.00 73.33 C ATOM 1541 OG SER A 94 25.903 56.927 14.474 1.00 75.08 O ATOM 1542 HA SER A 94 24.071 54.295 13.469 1.00 0.00 H ATOM 1543 HB2 SER A 94 26.231 54.907 14.342 1.00 0.00 H ATOM 1544 HB3 SER A 94 25.029 55.416 15.550 1.00 0.00 H ATOM 1545 HG SER A 94 25.166 57.560 14.664 1.00 0.00 H ATOM 1546 H SER A 94 25.197 56.711 12.100 1.00 0.00 H ATOM 1547 N ASN A 95 22.744 57.242 13.414 1.00 66.64 N ATOM 1548 CA ASN A 95 21.551 57.996 13.789 1.00 63.59 C ATOM 1549 C ASN A 95 20.682 58.353 12.582 1.00 59.45 C ATOM 1550 O ASN A 95 20.452 59.529 12.300 1.00 59.51 O ATOM 1551 CB ASN A 95 21.947 59.281 14.525 1.00 65.93 C ATOM 1552 CG ASN A 95 23.004 59.045 15.593 1.00 68.56 C ATOM 1553 OD1 ASN A 95 24.189 58.881 15.288 1.00 69.53 O ATOM 1554 ND2 ASN A 95 22.578 59.020 16.853 1.00 69.47 N ATOM 1555 HA ASN A 95 20.964 57.353 14.444 1.00 0.00 H ATOM 1556 HB2 ASN A 95 22.338 59.993 13.798 1.00 0.00 H ATOM 1557 HB3 ASN A 95 21.059 59.699 14.999 1.00 0.00 H ATOM 1558 HD22 ASN A 95 21.570 59.163 17.064 1.00 0.00 H ATOM 1559 HD21 ASN A 95 23.253 58.857 17.627 1.00 0.00 H ATOM 1560 H ASN A 95 23.390 57.626 12.695 1.00 0.00 H ATOM 1561 N CYS A 96 20.197 57.342 11.869 1.00 53.42 N ATOM 1562 CA CYS A 96 19.356 57.605 10.709 1.00 48.24 C ATOM 1563 C CYS A 96 17.884 57.547 11.043 1.00 44.08 C ATOM 1564 O CYS A 96 17.417 56.626 11.717 1.00 40.52 O ATOM 1565 CB CYS A 96 19.664 56.625 9.596 1.00 47.56 C ATOM 1566 SG CYS A 96 21.403 56.707 9.094 1.00 51.06 S ATOM 1567 HA CYS A 96 19.583 58.619 10.378 1.00 0.00 H ATOM 1568 HB2 CYS A 96 19.036 56.858 8.736 1.00 0.00 H ATOM 1569 HB3 CYS A 96 19.443 55.615 9.943 1.00 0.00 H ATOM 1570 H CYS A 96 20.418 56.362 12.139 1.00 0.00 H ATOM 1571 N ARG A 97 17.157 58.546 10.562 1.00 41.68 N ATOM 1572 CA ARG A 97 15.731 58.631 10.811 1.00 39.69 C ATOM 1573 C ARG A 97 14.948 58.452 9.523 1.00 34.84 C ATOM 1574 O ARG A 97 15.374 58.905 8.463 1.00 35.29 O ATOM 1575 CB ARG A 97 15.400 59.981 11.449 1.00 43.57 C ATOM 1576 CG ARG A 97 16.146 60.243 12.748 1.00 50.03 C ATOM 1577 CD ARG A 97 15.245 60.886 13.801 1.00 56.51 C ATOM 1578 NE ARG A 97 14.204 59.975 14.288 1.00 62.84 N ATOM 1579 CZ ARG A 97 13.076 59.683 13.639 1.00 64.37 C ATOM 1580 NH1 ARG A 97 12.817 60.230 12.457 1.00 66.23 N ATOM 1581 NH2 ARG A 97 12.203 58.837 14.174 1.00 63.43 N ATOM 1582 HA ARG A 97 15.446 57.831 11.494 1.00 0.00 H ATOM 1583 HB2 ARG A 97 15.656 60.769 10.740 1.00 0.00 H ATOM 1584 HB3 ARG A 97 14.330 60.012 11.654 1.00 0.00 H ATOM 1585 HG2 ARG A 97 16.522 59.296 13.136 1.00 0.00 H ATOM 1586 HG3 ARG A 97 16.984 60.910 12.545 1.00 0.00 H ATOM 1587 HD2 ARG A 97 14.766 61.761 13.363 1.00 0.00 H ATOM 1588 HD3 ARG A 97 15.861 61.195 14.645 1.00 0.00 H ATOM 1589 HE ARG A 97 14.357 59.521 15.211 1.00 0.00 H ATOM 1590 HH12 ARG A 97 11.935 59.997 11.958 1.00 0.00 H ATOM 1591 HH11 ARG A 97 13.496 60.892 12.030 1.00 0.00 H ATOM 1592 HH22 ARG A 97 11.323 58.609 13.669 1.00 0.00 H ATOM 1593 HH21 ARG A 97 12.399 58.403 15.098 1.00 0.00 H ATOM 1594 H ARG A 97 17.619 59.284 9.994 1.00 0.00 H ATOM 1595 N TYR A 98 13.800 57.793 9.627 1.00 31.75 N ATOM 1596 CA TYR A 98 12.954 57.537 8.468 1.00 29.81 C ATOM 1597 C TYR A 98 11.529 58.063 8.618 1.00 29.67 C ATOM 1598 O TYR A 98 11.015 58.193 9.732 1.00 29.27 O ATOM 1599 CB TYR A 98 12.878 56.025 8.187 1.00 28.40 C ATOM 1600 CG TYR A 98 14.166 55.420 7.672 1.00 27.51 C ATOM 1601 CD1 TYR A 98 15.229 55.142 8.533 1.00 26.88 C ATOM 1602 CD2 TYR A 98 14.337 55.168 6.314 1.00 26.19 C ATOM 1603 CE1 TYR A 98 16.441 54.625 8.043 1.00 27.23 C ATOM 1604 CE2 TYR A 98 15.531 54.656 5.816 1.00 26.62 C ATOM 1605 CZ TYR A 98 16.583 54.388 6.686 1.00 27.10 C ATOM 1606 OH TYR A 98 17.772 53.902 6.180 1.00 27.29 O ATOM 1607 HA TYR A 98 13.422 58.073 7.642 1.00 0.00 H ATOM 1608 HB3 TYR A 98 12.100 55.855 7.443 1.00 0.00 H ATOM 1609 HB2 TYR A 98 12.610 55.519 9.114 1.00 0.00 H ATOM 1610 HD2 TYR A 98 13.518 55.376 5.626 1.00 0.00 H ATOM 1611 HE2 TYR A 98 15.642 54.466 4.748 1.00 0.00 H ATOM 1612 HE1 TYR A 98 17.263 54.412 8.726 1.00 0.00 H ATOM 1613 HD1 TYR A 98 15.118 55.329 9.601 1.00 0.00 H ATOM 1614 HH TYR A 98 18.146 54.554 5.535 1.00 0.00 H ATOM 1615 H TYR A 98 13.496 57.450 10.561 1.00 0.00 H ATOM 1616 N ALA A 99 10.899 58.362 7.483 1.00 28.46 N ATOM 1617 CA ALA A 99 9.506 58.807 7.470 1.00 27.39 C ATOM 1618 C ALA A 99 8.697 57.566 7.078 1.00 28.93 C ATOM 1619 O ALA A 99 9.146 56.778 6.245 1.00 27.01 O ATOM 1620 CB ALA A 99 9.310 59.909 6.439 1.00 27.07 C ATOM 1621 HA ALA A 99 9.198 59.213 8.433 1.00 0.00 H ATOM 1622 HB1 ALA A 99 9.951 60.755 6.687 1.00 0.00 H ATOM 1623 HB2 ALA A 99 9.571 59.531 5.451 1.00 0.00 H ATOM 1624 HB3 ALA A 99 8.268 60.228 6.443 1.00 0.00 H ATOM 1625 H ALA A 99 11.411 58.277 6.582 1.00 0.00 H ATOM 1626 N ASP A 100 7.522 57.382 7.681 1.00 26.92 N ATOM 1627 CA ASP A 100 6.677 56.230 7.381 1.00 28.98 C ATOM 1628 C ASP A 100 5.640 56.618 6.329 1.00 30.31 C ATOM 1629 O ASP A 100 4.983 57.652 6.454 1.00 29.85 O ATOM 1630 CB ASP A 100 5.989 55.745 8.659 1.00 32.48 C ATOM 1631 CG ASP A 100 6.987 55.331 9.729 1.00 35.98 C ATOM 1632 OD1 ASP A 100 7.215 54.118 9.909 1.00 36.74 O ATOM 1633 OD2 ASP A 100 7.558 56.231 10.376 1.00 40.99 O ATOM 1634 HA ASP A 100 7.291 55.419 6.988 1.00 0.00 H ATOM 1635 HB2 ASP A 100 5.368 56.551 9.051 1.00 0.00 H ATOM 1636 HB3 ASP A 100 5.360 54.889 8.416 1.00 0.00 H ATOM 1637 H ASP A 100 7.199 58.078 8.384 1.00 0.00 H ATOM 1638 N ARG A 101 5.485 55.786 5.303 1.00 26.65 N ATOM 1639 CA ARG A 101 4.555 56.092 4.221 1.00 27.34 C ATOM 1640 C ARG A 101 3.767 54.862 3.746 1.00 27.54 C ATOM 1641 O ARG A 101 4.323 53.960 3.123 1.00 27.46 O ATOM 1642 CB ARG A 101 5.356 56.692 3.065 1.00 29.20 C ATOM 1643 CG ARG A 101 4.555 57.321 1.969 1.00 33.31 C ATOM 1644 CD ARG A 101 5.493 57.996 0.979 1.00 36.40 C ATOM 1645 NE ARG A 101 5.402 57.352 -0.318 1.00 43.89 N ATOM 1646 CZ ARG A 101 6.364 56.635 -0.880 1.00 40.63 C ATOM 1647 NH1 ARG A 101 7.525 56.461 -0.269 1.00 40.47 N ATOM 1648 NH2 ARG A 101 6.143 56.077 -2.057 1.00 43.08 N ATOM 1649 HA ARG A 101 3.813 56.799 4.592 1.00 0.00 H ATOM 1650 HB2 ARG A 101 6.016 57.456 3.477 1.00 0.00 H ATOM 1651 HB3 ARG A 101 5.955 55.895 2.625 1.00 0.00 H ATOM 1652 HG2 ARG A 101 3.975 56.554 1.456 1.00 0.00 H ATOM 1653 HG3 ARG A 101 3.878 58.063 2.393 1.00 0.00 H ATOM 1654 HD2 ARG A 101 6.517 57.924 1.346 1.00 0.00 H ATOM 1655 HD3 ARG A 101 5.217 59.046 0.880 1.00 0.00 H ATOM 1656 HE ARG A 101 4.513 57.462 -0.847 1.00 0.00 H ATOM 1657 HH12 ARG A 101 8.271 55.896 -0.722 1.00 0.00 H ATOM 1658 HH11 ARG A 101 7.691 56.890 0.664 1.00 0.00 H ATOM 1659 HH22 ARG A 101 6.887 55.511 -2.512 1.00 0.00 H ATOM 1660 HH21 ARG A 101 5.225 56.204 -2.528 1.00 0.00 H ATOM 1661 H ARG A 101 6.035 54.904 5.271 1.00 0.00 H ATOM 1662 N PRO A 102 2.454 54.822 4.031 1.00 27.84 N ATOM 1663 CA PRO A 102 1.594 53.699 3.633 1.00 27.46 C ATOM 1664 C PRO A 102 1.359 53.704 2.130 1.00 28.00 C ATOM 1665 O PRO A 102 1.447 54.747 1.490 1.00 27.68 O ATOM 1666 CB PRO A 102 0.278 53.960 4.390 1.00 29.47 C ATOM 1667 CG PRO A 102 0.635 54.994 5.441 1.00 31.97 C ATOM 1668 CD PRO A 102 1.677 55.840 4.757 1.00 29.26 C ATOM 1669 HA PRO A 102 2.032 52.729 3.867 1.00 0.00 H ATOM 1670 HD3 PRO A 102 1.222 56.556 4.073 1.00 0.00 H ATOM 1671 HD2 PRO A 102 2.295 56.372 5.480 1.00 0.00 H ATOM 1672 HG3 PRO A 102 1.042 54.519 6.334 1.00 0.00 H ATOM 1673 HG2 PRO A 102 -0.236 55.591 5.713 1.00 0.00 H ATOM 1674 HB2 PRO A 102 -0.484 54.347 3.714 1.00 0.00 H ATOM 1675 HB3 PRO A 102 -0.084 53.045 4.858 1.00 0.00 H ATOM 1676 N GLY A 103 1.049 52.537 1.579 1.00 26.77 N ATOM 1677 CA GLY A 103 0.776 52.428 0.157 1.00 27.91 C ATOM 1678 C GLY A 103 0.055 51.118 -0.111 1.00 28.87 C ATOM 1679 O GLY A 103 -0.153 50.329 0.807 1.00 27.87 O ATOM 1680 HA3 GLY A 103 1.714 52.449 -0.398 1.00 0.00 H ATOM 1681 HA2 GLY A 103 0.149 53.262 -0.160 1.00 0.00 H ATOM 1682 H GLY A 103 1.001 51.687 2.176 1.00 0.00 H ATOM 1683 N ARG A 104 -0.341 50.884 -1.356 1.00 29.64 N ATOM 1684 CA ARG A 104 -1.009 49.634 -1.702 1.00 31.72 C ATOM 1685 C ARG A 104 -0.899 49.333 -3.181 1.00 32.80 C ATOM 1686 O ARG A 104 -1.377 50.099 -4.017 1.00 32.92 O ATOM 1687 CB ARG A 104 -2.491 49.653 -1.319 1.00 34.83 C ATOM 1688 CG ARG A 104 -3.196 48.367 -1.744 1.00 39.21 C ATOM 1689 CD ARG A 104 -4.604 48.247 -1.205 1.00 42.26 C ATOM 1690 NE ARG A 104 -5.571 48.082 -2.283 1.00 46.98 N ATOM 1691 CZ ARG A 104 -6.535 47.167 -2.292 1.00 47.97 C ATOM 1692 NH1 ARG A 104 -6.662 46.324 -1.275 1.00 49.67 N ATOM 1693 NH2 ARG A 104 -7.376 47.104 -3.312 1.00 47.47 N ATOM 1694 HA ARG A 104 -0.501 48.856 -1.133 1.00 0.00 H ATOM 1695 HB2 ARG A 104 -2.576 49.763 -0.238 1.00 0.00 H ATOM 1696 HB3 ARG A 104 -2.973 50.500 -1.808 1.00 0.00 H ATOM 1697 HG2 ARG A 104 -3.239 48.340 -2.833 1.00 0.00 H ATOM 1698 HG3 ARG A 104 -2.614 47.519 -1.384 1.00 0.00 H ATOM 1699 HD2 ARG A 104 -4.848 49.149 -0.644 1.00 0.00 H ATOM 1700 HD3 ARG A 104 -4.659 47.383 -0.543 1.00 0.00 H ATOM 1701 HE ARG A 104 -5.502 48.723 -3.099 1.00 0.00 H ATOM 1702 HH12 ARG A 104 -7.417 45.609 -1.284 1.00 0.00 H ATOM 1703 HH11 ARG A 104 -6.007 46.379 -0.469 1.00 0.00 H ATOM 1704 HH22 ARG A 104 -8.131 46.389 -3.320 1.00 0.00 H ATOM 1705 HH21 ARG A 104 -7.282 47.770 -4.105 1.00 0.00 H ATOM 1706 H ARG A 104 -0.173 51.599 -2.092 1.00 0.00 H ATOM 1707 N ARG A 105 -0.269 48.210 -3.504 1.00 32.19 N ATOM 1708 CA ARG A 105 -0.124 47.820 -4.893 1.00 34.08 C ATOM 1709 C ARG A 105 0.322 46.388 -5.101 1.00 32.48 C ATOM 1710 O ARG A 105 0.518 45.634 -4.143 1.00 28.18 O ATOM 1711 CB ARG A 105 0.840 48.765 -5.605 1.00 39.37 C ATOM 1712 CG ARG A 105 2.031 49.189 -4.800 1.00 43.44 C ATOM 1713 CD ARG A 105 2.654 50.400 -5.455 1.00 48.99 C ATOM 1714 NE ARG A 105 1.623 51.387 -5.762 1.00 55.67 N ATOM 1715 CZ ARG A 105 1.856 52.586 -6.292 1.00 59.31 C ATOM 1716 NH1 ARG A 105 3.098 52.959 -6.582 1.00 60.88 N ATOM 1717 NH2 ARG A 105 0.842 53.415 -6.529 1.00 59.09 N ATOM 1718 HA ARG A 105 -1.124 47.890 -5.321 1.00 0.00 H ATOM 1719 HB2 ARG A 105 1.201 48.264 -6.503 1.00 0.00 H ATOM 1720 HB3 ARG A 105 0.287 49.661 -5.887 1.00 0.00 H ATOM 1721 HG2 ARG A 105 1.718 49.440 -3.787 1.00 0.00 H ATOM 1722 HG3 ARG A 105 2.757 48.377 -4.764 1.00 0.00 H ATOM 1723 HD2 ARG A 105 3.150 50.097 -6.377 1.00 0.00 H ATOM 1724 HD3 ARG A 105 3.386 50.841 -4.778 1.00 0.00 H ATOM 1725 HE ARG A 105 0.636 51.136 -5.552 1.00 0.00 H ATOM 1726 HH12 ARG A 105 3.276 53.896 -6.996 1.00 0.00 H ATOM 1727 HH11 ARG A 105 3.892 52.314 -6.395 1.00 0.00 H ATOM 1728 HH22 ARG A 105 1.022 54.352 -6.943 1.00 0.00 H ATOM 1729 HH21 ARG A 105 -0.130 53.126 -6.300 1.00 0.00 H ATOM 1730 H ARG A 105 0.124 47.605 -2.755 1.00 0.00 H ATOM 1731 N PHE A 106 0.444 46.019 -6.374 1.00 31.44 N ATOM 1732 CA PHE A 106 0.890 44.686 -6.756 1.00 30.76 C ATOM 1733 C PHE A 106 2.400 44.682 -6.547 1.00 29.72 C ATOM 1734 O PHE A 106 3.034 45.732 -6.555 1.00 29.97 O ATOM 1735 CB PHE A 106 0.626 44.435 -8.247 1.00 35.32 C ATOM 1736 CG PHE A 106 -0.832 44.383 -8.627 1.00 36.88 C ATOM 1737 CD1 PHE A 106 -1.623 43.295 -8.271 1.00 38.39 C ATOM 1738 CD2 PHE A 106 -1.405 45.413 -9.370 1.00 39.96 C ATOM 1739 CE1 PHE A 106 -2.969 43.229 -8.653 1.00 39.35 C ATOM 1740 CE2 PHE A 106 -2.753 45.360 -9.757 1.00 38.95 C ATOM 1741 CZ PHE A 106 -3.531 44.266 -9.397 1.00 39.84 C ATOM 1742 HA PHE A 106 0.369 43.925 -6.175 1.00 0.00 H ATOM 1743 HB2 PHE A 106 1.097 45.237 -8.816 1.00 0.00 H ATOM 1744 HB3 PHE A 106 1.082 43.483 -8.518 1.00 0.00 H ATOM 1745 HD2 PHE A 106 -0.798 46.272 -9.655 1.00 0.00 H ATOM 1746 HE2 PHE A 106 -3.188 46.174 -10.338 1.00 0.00 H ATOM 1747 HZ PHE A 106 -4.578 44.219 -9.696 1.00 0.00 H ATOM 1748 HE1 PHE A 106 -3.576 42.369 -8.369 1.00 0.00 H ATOM 1749 HD1 PHE A 106 -1.189 42.483 -7.687 1.00 0.00 H ATOM 1750 H PHE A 106 0.213 46.705 -7.121 1.00 0.00 H ATOM 1751 N TYR A 107 2.986 43.514 -6.351 1.00 30.32 N ATOM 1752 CA TYR A 107 4.432 43.467 -6.222 1.00 29.70 C ATOM 1753 C TYR A 107 4.950 42.407 -7.174 1.00 29.43 C ATOM 1754 O TYR A 107 4.210 41.502 -7.560 1.00 28.83 O ATOM 1755 CB TYR A 107 4.873 43.158 -4.784 1.00 28.57 C ATOM 1756 CG TYR A 107 4.413 41.839 -4.225 1.00 30.64 C ATOM 1757 CD1 TYR A 107 3.252 41.753 -3.453 1.00 33.05 C ATOM 1758 CD2 TYR A 107 5.145 40.674 -4.444 1.00 32.22 C ATOM 1759 CE1 TYR A 107 2.835 40.542 -2.912 1.00 34.21 C ATOM 1760 CE2 TYR A 107 4.737 39.454 -3.906 1.00 33.06 C ATOM 1761 CZ TYR A 107 3.582 39.398 -3.141 1.00 35.30 C ATOM 1762 OH TYR A 107 3.176 38.201 -2.603 1.00 36.23 O ATOM 1763 HA TYR A 107 4.845 44.445 -6.470 1.00 0.00 H ATOM 1764 HB3 TYR A 107 4.487 43.947 -4.139 1.00 0.00 H ATOM 1765 HB2 TYR A 107 5.963 43.170 -4.759 1.00 0.00 H ATOM 1766 HD2 TYR A 107 6.052 40.717 -5.046 1.00 0.00 H ATOM 1767 HE2 TYR A 107 5.321 38.552 -4.085 1.00 0.00 H ATOM 1768 HE1 TYR A 107 1.926 40.493 -2.312 1.00 0.00 H ATOM 1769 HD1 TYR A 107 2.662 42.652 -3.271 1.00 0.00 H ATOM 1770 HH TYR A 107 2.340 38.338 -2.090 1.00 0.00 H ATOM 1771 H TYR A 107 2.421 42.643 -6.290 1.00 0.00 H ATOM 1772 N VAL A 108 6.209 42.543 -7.573 1.00 30.74 N ATOM 1773 CA VAL A 108 6.836 41.582 -8.470 1.00 30.70 C ATOM 1774 C VAL A 108 8.119 41.085 -7.817 1.00 29.75 C ATOM 1775 O VAL A 108 9.024 41.878 -7.547 1.00 27.86 O ATOM 1776 CB VAL A 108 7.196 42.223 -9.824 1.00 32.69 C ATOM 1777 CG1 VAL A 108 7.804 41.167 -10.754 1.00 33.38 C ATOM 1778 CG2 VAL A 108 5.955 42.849 -10.451 1.00 34.45 C ATOM 1779 HA VAL A 108 6.134 40.767 -8.650 1.00 0.00 H ATOM 1780 HB VAL A 108 7.934 43.010 -9.666 1.00 0.00 H ATOM 1781 HG11 VAL A 108 8.705 40.758 -10.297 1.00 0.00 H ATOM 1782 HG12 VAL A 108 7.082 40.367 -10.914 1.00 0.00 H ATOM 1783 HG13 VAL A 108 8.056 41.628 -11.709 1.00 0.00 H ATOM 1784 HG21 VAL A 108 5.200 42.078 -10.608 1.00 0.00 H ATOM 1785 HG22 VAL A 108 5.560 43.616 -9.784 1.00 0.00 H ATOM 1786 HG23 VAL A 108 6.221 43.299 -11.408 1.00 0.00 H ATOM 1787 H VAL A 108 6.762 43.357 -7.236 1.00 0.00 H ATOM 1788 N VAL A 109 8.192 39.782 -7.558 1.00 28.74 N ATOM 1789 CA VAL A 109 9.374 39.191 -6.927 1.00 30.35 C ATOM 1790 C VAL A 109 10.070 38.198 -7.846 1.00 29.77 C ATOM 1791 O VAL A 109 9.430 37.593 -8.703 1.00 30.89 O ATOM 1792 CB VAL A 109 9.019 38.430 -5.606 1.00 30.70 C ATOM 1793 CG1 VAL A 109 8.515 39.406 -4.548 1.00 28.84 C ATOM 1794 CG2 VAL A 109 7.970 37.345 -5.882 1.00 31.46 C ATOM 1795 HA VAL A 109 10.033 40.031 -6.709 1.00 0.00 H ATOM 1796 HB VAL A 109 9.921 37.950 -5.228 1.00 0.00 H ATOM 1797 HG11 VAL A 109 9.290 40.143 -4.336 1.00 0.00 H ATOM 1798 HG12 VAL A 109 7.623 39.912 -4.917 1.00 0.00 H ATOM 1799 HG13 VAL A 109 8.273 38.859 -3.637 1.00 0.00 H ATOM 1800 HG21 VAL A 109 7.067 37.807 -6.281 1.00 0.00 H ATOM 1801 HG22 VAL A 109 8.366 36.634 -6.607 1.00 0.00 H ATOM 1802 HG23 VAL A 109 7.734 36.825 -4.954 1.00 0.00 H ATOM 1803 H VAL A 109 7.391 39.169 -7.810 1.00 0.00 H ATOM 1804 N ALA A 110 11.383 38.055 -7.680 1.00 29.34 N ATOM 1805 CA ALA A 110 12.150 37.087 -8.454 1.00 27.79 C ATOM 1806 C ALA A 110 12.295 35.921 -7.497 1.00 29.98 C ATOM 1807 O ALA A 110 12.575 36.127 -6.314 1.00 29.96 O ATOM 1808 CB ALA A 110 13.533 37.647 -8.820 1.00 28.90 C ATOM 1809 HA ALA A 110 11.671 36.823 -9.397 1.00 0.00 H ATOM 1810 HB1 ALA A 110 13.411 38.553 -9.414 1.00 0.00 H ATOM 1811 HB2 ALA A 110 14.082 37.880 -7.908 1.00 0.00 H ATOM 1812 HB3 ALA A 110 14.083 36.904 -9.397 1.00 0.00 H ATOM 1813 H ALA A 110 11.874 38.649 -6.981 1.00 0.00 H ATOM 1814 N CYS A 111 12.094 34.703 -7.988 1.00 30.83 N ATOM 1815 CA CYS A 111 12.202 33.519 -7.140 1.00 33.71 C ATOM 1816 C CYS A 111 13.238 32.554 -7.703 1.00 35.47 C ATOM 1817 O CYS A 111 13.430 32.490 -8.914 1.00 36.95 O ATOM 1818 CB CYS A 111 10.850 32.819 -7.051 1.00 33.91 C ATOM 1819 SG CYS A 111 9.443 33.906 -6.619 1.00 35.53 S ATOM 1820 HA CYS A 111 12.515 33.833 -6.144 1.00 0.00 H ATOM 1821 HB2 CYS A 111 10.922 32.040 -6.292 1.00 0.00 H ATOM 1822 HB3 CYS A 111 10.641 32.363 -8.019 1.00 0.00 H ATOM 1823 H CYS A 111 11.856 34.591 -8.994 1.00 0.00 H ATOM 1824 N ASP A 112 13.893 31.798 -6.827 1.00 35.87 N ATOM 1825 CA ASP A 112 14.919 30.853 -7.255 1.00 37.58 C ATOM 1826 C ASP A 112 14.858 29.600 -6.383 1.00 38.97 C ATOM 1827 O ASP A 112 14.077 29.534 -5.433 1.00 38.44 O ATOM 1828 CB ASP A 112 16.295 31.520 -7.134 1.00 37.48 C ATOM 1829 CG ASP A 112 17.360 30.857 -7.997 1.00 38.65 C ATOM 1830 OD1 ASP A 112 17.035 29.944 -8.788 1.00 36.79 O ATOM 1831 OD2 ASP A 112 18.533 31.268 -7.885 1.00 37.60 O ATOM 1832 HA ASP A 112 14.750 30.564 -8.292 1.00 0.00 H ATOM 1833 HB2 ASP A 112 16.203 32.563 -7.437 1.00 0.00 H ATOM 1834 HB3 ASP A 112 16.613 31.472 -6.093 1.00 0.00 H ATOM 1835 H ASP A 112 13.669 31.882 -5.815 1.00 0.00 H ATOM 1836 N ASN A 113 15.672 28.602 -6.716 1.00 41.50 N ATOM 1837 CA ASN A 113 15.711 27.366 -5.944 1.00 42.40 C ATOM 1838 C ASN A 113 16.255 27.696 -4.564 1.00 44.21 C ATOM 1839 O ASN A 113 17.130 28.551 -4.426 1.00 44.11 O ATOM 1840 CB ASN A 113 16.618 26.336 -6.625 1.00 45.74 C ATOM 1841 CG ASN A 113 16.067 25.862 -7.952 1.00 47.55 C ATOM 1842 OD1 ASN A 113 14.988 25.274 -8.014 1.00 48.47 O ATOM 1843 ND2 ASN A 113 16.805 26.119 -9.024 1.00 50.33 N ATOM 1844 HA ASN A 113 14.710 26.940 -5.873 1.00 0.00 H ATOM 1845 HB2 ASN A 113 17.595 26.789 -6.794 1.00 0.00 H ATOM 1846 HB3 ASN A 113 16.727 25.476 -5.965 1.00 0.00 H ATOM 1847 HD22 ASN A 113 17.711 26.619 -8.924 1.00 0.00 H ATOM 1848 HD21 ASN A 113 16.477 25.820 -9.965 1.00 0.00 H ATOM 1849 H ASN A 113 16.293 28.706 -7.544 1.00 0.00 H ATOM 1850 N ARG A 114 15.746 27.016 -3.543 1.00 45.58 N ATOM 1851 CA ARG A 114 16.183 27.271 -2.178 1.00 48.33 C ATOM 1852 C ARG A 114 17.658 26.947 -1.951 1.00 50.44 C ATOM 1853 O ARG A 114 18.272 26.189 -2.706 1.00 49.22 O ATOM 1854 CB ARG A 114 15.332 26.469 -1.188 1.00 50.65 C ATOM 1855 CG ARG A 114 15.681 24.987 -1.124 1.00 53.86 C ATOM 1856 CD ARG A 114 14.852 24.253 -0.079 1.00 56.76 C ATOM 1857 NE ARG A 114 15.340 22.892 0.134 1.00 60.43 N ATOM 1858 CZ ARG A 114 16.440 22.586 0.817 1.00 61.50 C ATOM 1859 NH1 ARG A 114 17.176 23.543 1.365 1.00 62.68 N ATOM 1860 NH2 ARG A 114 16.811 21.319 0.948 1.00 63.12 N ATOM 1861 HA ARG A 114 16.054 28.340 -2.010 1.00 0.00 H ATOM 1862 HB2 ARG A 114 15.469 26.896 -0.195 1.00 0.00 H ATOM 1863 HB3 ARG A 114 14.286 26.562 -1.481 1.00 0.00 H ATOM 1864 HG2 ARG A 114 15.495 24.539 -2.100 1.00 0.00 H ATOM 1865 HG3 ARG A 114 16.737 24.884 -0.873 1.00 0.00 H ATOM 1866 HD2 ARG A 114 13.816 24.209 -0.415 1.00 0.00 H ATOM 1867 HD3 ARG A 114 14.904 24.800 0.863 1.00 0.00 H ATOM 1868 HE ARG A 114 14.790 22.110 -0.276 1.00 0.00 H ATOM 1869 HH12 ARG A 114 18.035 23.298 1.898 1.00 0.00 H ATOM 1870 HH11 ARG A 114 16.894 24.539 1.262 1.00 0.00 H ATOM 1871 HH22 ARG A 114 17.671 21.082 1.482 1.00 0.00 H ATOM 1872 HH21 ARG A 114 16.242 20.563 0.516 1.00 0.00 H ATOM 1873 H ARG A 114 15.024 26.290 -3.722 1.00 0.00 H ATOM 1874 N ASP A 115 18.216 27.544 -0.903 1.00 51.07 N ATOM 1875 CA ASP A 115 19.604 27.332 -0.514 1.00 53.35 C ATOM 1876 C ASP A 115 19.586 26.115 0.412 1.00 54.44 C ATOM 1877 O ASP A 115 18.581 25.848 1.070 1.00 53.29 O ATOM 1878 CB ASP A 115 20.117 28.557 0.252 1.00 54.45 C ATOM 1879 CG ASP A 115 21.590 28.460 0.605 1.00 56.68 C ATOM 1880 OD1 ASP A 115 22.436 28.752 -0.265 1.00 59.32 O ATOM 1881 OD2 ASP A 115 21.908 28.083 1.753 1.00 57.47 O ATOM 1882 HA ASP A 115 20.252 27.179 -1.377 1.00 0.00 H ATOM 1883 HB2 ASP A 115 19.965 29.442 -0.365 1.00 0.00 H ATOM 1884 HB3 ASP A 115 19.544 28.656 1.174 1.00 0.00 H ATOM 1885 H ASP A 115 17.635 28.193 -0.334 1.00 0.00 H ATOM 1886 N PRO A 116 20.690 25.355 0.470 1.00 56.04 N ATOM 1887 CA PRO A 116 20.711 24.180 1.350 1.00 56.46 C ATOM 1888 C PRO A 116 20.359 24.516 2.803 1.00 56.63 C ATOM 1889 O PRO A 116 19.805 23.685 3.526 1.00 56.90 O ATOM 1890 CB PRO A 116 22.140 23.653 1.189 1.00 56.75 C ATOM 1891 CG PRO A 116 22.925 24.887 0.800 1.00 57.92 C ATOM 1892 CD PRO A 116 21.996 25.545 -0.183 1.00 56.43 C ATOM 1893 HA PRO A 116 19.956 23.440 1.083 1.00 0.00 H ATOM 1894 HD3 PRO A 116 22.230 26.603 -0.305 1.00 0.00 H ATOM 1895 HD2 PRO A 116 22.031 25.052 -1.155 1.00 0.00 H ATOM 1896 HG3 PRO A 116 23.874 24.623 0.334 1.00 0.00 H ATOM 1897 HG2 PRO A 116 23.110 25.528 1.662 1.00 0.00 H ATOM 1898 HB2 PRO A 116 22.510 23.234 2.125 1.00 0.00 H ATOM 1899 HB3 PRO A 116 22.191 22.895 0.407 1.00 0.00 H ATOM 1900 N ARG A 117 20.667 25.744 3.216 1.00 56.56 N ATOM 1901 CA ARG A 117 20.388 26.202 4.576 1.00 56.64 C ATOM 1902 C ARG A 117 18.923 26.591 4.794 1.00 56.61 C ATOM 1903 O ARG A 117 18.486 26.768 5.931 1.00 56.68 O ATOM 1904 CB ARG A 117 21.285 27.393 4.921 1.00 57.40 C ATOM 1905 CG ARG A 117 22.747 27.041 5.122 1.00 56.89 C ATOM 1906 CD ARG A 117 23.588 28.299 5.237 1.00 59.11 C ATOM 1907 NE ARG A 117 23.591 29.047 3.982 1.00 59.76 N ATOM 1908 CZ ARG A 117 24.138 30.247 3.824 1.00 60.16 C ATOM 1909 NH1 ARG A 117 24.092 30.846 2.641 1.00 60.10 N ATOM 1910 NH2 ARG A 117 24.726 30.851 4.848 1.00 61.24 N ATOM 1911 HA ARG A 117 20.599 25.360 5.235 1.00 0.00 H ATOM 1912 HB2 ARG A 117 21.217 28.117 4.109 1.00 0.00 H ATOM 1913 HB3 ARG A 117 20.913 27.844 5.841 1.00 0.00 H ATOM 1914 HG2 ARG A 117 22.852 26.454 6.035 1.00 0.00 H ATOM 1915 HG3 ARG A 117 23.095 26.454 4.272 1.00 0.00 H ATOM 1916 HD2 ARG A 117 24.612 28.021 5.489 1.00 0.00 H ATOM 1917 HD3 ARG A 117 23.179 28.930 6.027 1.00 0.00 H ATOM 1918 HE ARG A 117 23.134 28.610 3.156 1.00 0.00 H ATOM 1919 HH12 ARG A 117 24.520 31.786 2.517 1.00 0.00 H ATOM 1920 HH11 ARG A 117 23.628 30.376 1.838 1.00 0.00 H ATOM 1921 HH22 ARG A 117 25.154 31.791 4.722 1.00 0.00 H ATOM 1922 HH21 ARG A 117 24.759 30.385 5.777 1.00 0.00 H ATOM 1923 H ARG A 117 21.121 26.399 2.548 1.00 0.00 H ATOM 1924 N ASP A 118 18.170 26.734 3.707 1.00 55.78 N ATOM 1925 CA ASP A 118 16.758 27.091 3.810 1.00 56.06 C ATOM 1926 C ASP A 118 15.907 25.873 4.172 1.00 57.95 C ATOM 1927 O ASP A 118 16.371 24.736 4.110 1.00 58.32 O ATOM 1928 CB ASP A 118 16.251 27.686 2.487 1.00 52.36 C ATOM 1929 CG ASP A 118 16.792 29.083 2.222 1.00 50.29 C ATOM 1930 OD1 ASP A 118 16.694 29.945 3.120 1.00 47.45 O ATOM 1931 OD2 ASP A 118 17.308 29.324 1.111 1.00 47.94 O ATOM 1932 HA ASP A 118 16.666 27.835 4.601 1.00 0.00 H ATOM 1933 HB2 ASP A 118 16.559 27.033 1.671 1.00 0.00 H ATOM 1934 HB3 ASP A 118 15.163 27.735 2.521 1.00 0.00 H ATOM 1935 H ASP A 118 18.594 26.589 2.768 1.00 0.00 H ATOM 1936 N SER A 119 14.659 26.122 4.552 1.00 60.36 N ATOM 1937 CA SER A 119 13.734 25.050 4.903 1.00 61.20 C ATOM 1938 C SER A 119 13.425 24.200 3.674 1.00 62.09 C ATOM 1939 O SER A 119 13.135 24.728 2.600 1.00 62.09 O ATOM 1940 CB SER A 119 12.432 25.638 5.456 1.00 61.91 C ATOM 1941 OG SER A 119 11.415 24.651 5.536 1.00 62.00 O ATOM 1942 HA SER A 119 14.199 24.425 5.665 1.00 0.00 H ATOM 1943 HB2 SER A 119 12.097 26.441 4.799 1.00 0.00 H ATOM 1944 HB3 SER A 119 12.618 26.039 6.452 1.00 0.00 H ATOM 1945 HG SER A 119 10.588 25.059 5.896 1.00 0.00 H ATOM 1946 H SER A 119 14.332 27.108 4.601 1.00 0.00 H ATOM 1947 N PRO A 120 13.488 22.866 3.814 1.00 62.55 N ATOM 1948 CA PRO A 120 13.203 21.973 2.685 1.00 62.41 C ATOM 1949 C PRO A 120 11.728 21.993 2.297 1.00 62.19 C ATOM 1950 O PRO A 120 11.342 21.481 1.246 1.00 61.83 O ATOM 1951 CB PRO A 120 13.656 20.610 3.203 1.00 63.37 C ATOM 1952 CG PRO A 120 13.391 20.712 4.676 1.00 63.75 C ATOM 1953 CD PRO A 120 13.899 22.096 5.002 1.00 62.91 C ATOM 1954 HA PRO A 120 13.714 22.264 1.767 1.00 0.00 H ATOM 1955 HD3 PRO A 120 13.433 22.486 5.907 1.00 0.00 H ATOM 1956 HD2 PRO A 120 14.982 22.102 5.122 1.00 0.00 H ATOM 1957 HG3 PRO A 120 13.940 19.950 5.229 1.00 0.00 H ATOM 1958 HG2 PRO A 120 12.327 20.621 4.893 1.00 0.00 H ATOM 1959 HB2 PRO A 120 13.074 19.805 2.753 1.00 0.00 H ATOM 1960 HB3 PRO A 120 14.715 20.446 3.004 1.00 0.00 H ATOM 1961 N ARG A 121 10.908 22.598 3.151 1.00 61.96 N ATOM 1962 CA ARG A 121 9.476 22.683 2.902 1.00 62.00 C ATOM 1963 C ARG A 121 9.189 23.455 1.623 1.00 61.58 C ATOM 1964 O ARG A 121 8.278 23.109 0.869 1.00 61.69 O ATOM 1965 CB ARG A 121 8.778 23.374 4.069 1.00 64.15 C ATOM 1966 CG ARG A 121 7.268 23.204 4.066 1.00 67.57 C ATOM 1967 CD ARG A 121 6.623 24.054 5.144 1.00 70.30 C ATOM 1968 NE ARG A 121 7.487 24.177 6.315 1.00 73.35 N ATOM 1969 CZ ARG A 121 7.121 24.739 7.462 1.00 74.55 C ATOM 1970 NH1 ARG A 121 5.896 25.230 7.603 1.00 75.18 N ATOM 1971 NH2 ARG A 121 7.987 24.821 8.465 1.00 74.52 N ATOM 1972 HA ARG A 121 9.096 21.667 2.795 1.00 0.00 H ATOM 1973 HB2 ARG A 121 9.169 22.960 4.998 1.00 0.00 H ATOM 1974 HB3 ARG A 121 9.005 24.439 4.024 1.00 0.00 H ATOM 1975 HG2 ARG A 121 6.877 23.504 3.094 1.00 0.00 H ATOM 1976 HG3 ARG A 121 7.027 22.156 4.246 1.00 0.00 H ATOM 1977 HD2 ARG A 121 5.682 23.593 5.444 1.00 0.00 H ATOM 1978 HD3 ARG A 121 6.427 25.048 4.742 1.00 0.00 H ATOM 1979 HE ARG A 121 8.454 23.799 6.247 1.00 0.00 H ATOM 1980 HH12 ARG A 121 5.612 25.669 8.502 1.00 0.00 H ATOM 1981 HH11 ARG A 121 5.220 25.175 6.815 1.00 0.00 H ATOM 1982 HH22 ARG A 121 7.702 25.261 9.363 1.00 0.00 H ATOM 1983 HH21 ARG A 121 8.950 24.446 8.352 1.00 0.00 H ATOM 1984 H ARG A 121 11.299 23.020 4.017 1.00 0.00 H ATOM 1985 N TYR A 122 9.971 24.505 1.383 1.00 59.48 N ATOM 1986 CA TYR A 122 9.791 25.330 0.197 1.00 57.39 C ATOM 1987 C TYR A 122 10.932 25.172 -0.801 1.00 55.52 C ATOM 1988 O TYR A 122 12.014 25.725 -0.613 1.00 55.67 O ATOM 1989 CB TYR A 122 9.667 26.799 0.598 1.00 57.90 C ATOM 1990 CG TYR A 122 8.544 27.071 1.569 1.00 57.76 C ATOM 1991 CD1 TYR A 122 7.223 26.764 1.240 1.00 57.97 C ATOM 1992 CD2 TYR A 122 8.797 27.643 2.814 1.00 57.28 C ATOM 1993 CE1 TYR A 122 6.183 27.021 2.126 1.00 58.29 C ATOM 1994 CE2 TYR A 122 7.765 27.906 3.708 1.00 58.35 C ATOM 1995 CZ TYR A 122 6.461 27.593 3.357 1.00 58.72 C ATOM 1996 OH TYR A 122 5.435 27.862 4.232 1.00 60.32 O ATOM 1997 HA TYR A 122 8.876 24.993 -0.291 1.00 0.00 H ATOM 1998 HB3 TYR A 122 9.494 27.388 -0.302 1.00 0.00 H ATOM 1999 HB2 TYR A 122 10.604 27.110 1.060 1.00 0.00 H ATOM 2000 HD2 TYR A 122 9.822 27.889 3.092 1.00 0.00 H ATOM 2001 HE2 TYR A 122 7.980 28.355 4.678 1.00 0.00 H ATOM 2002 HE1 TYR A 122 5.157 26.774 1.854 1.00 0.00 H ATOM 2003 HD1 TYR A 122 7.003 26.315 0.272 1.00 0.00 H ATOM 2004 HH TYR A 122 4.576 27.579 3.829 1.00 0.00 H ATOM 2005 H TYR A 122 10.727 24.741 2.057 1.00 0.00 H ATOM 2006 N PRO A 123 10.699 24.410 -1.880 1.00 54.04 N ATOM 2007 CA PRO A 123 11.707 24.177 -2.919 1.00 52.25 C ATOM 2008 C PRO A 123 12.074 25.457 -3.671 1.00 50.49 C ATOM 2009 O PRO A 123 13.230 25.653 -4.044 1.00 49.79 O ATOM 2010 CB PRO A 123 11.037 23.143 -3.822 1.00 52.85 C ATOM 2011 CG PRO A 123 9.581 23.474 -3.683 1.00 53.66 C ATOM 2012 CD PRO A 123 9.451 23.692 -2.195 1.00 53.25 C ATOM 2013 HA PRO A 123 12.660 23.834 -2.516 1.00 0.00 H ATOM 2014 HD3 PRO A 123 8.575 24.296 -1.958 1.00 0.00 H ATOM 2015 HD2 PRO A 123 9.393 22.745 -1.659 1.00 0.00 H ATOM 2016 HG3 PRO A 123 8.953 22.649 -4.019 1.00 0.00 H ATOM 2017 HG2 PRO A 123 9.324 24.375 -4.240 1.00 0.00 H ATOM 2018 HB2 PRO A 123 11.368 23.251 -4.855 1.00 0.00 H ATOM 2019 HB3 PRO A 123 11.244 22.129 -3.479 1.00 0.00 H ATOM 2020 N VAL A 124 11.080 26.316 -3.895 1.00 48.13 N ATOM 2021 CA VAL A 124 11.288 27.583 -4.592 1.00 45.68 C ATOM 2022 C VAL A 124 10.925 28.734 -3.654 1.00 44.41 C ATOM 2023 O VAL A 124 9.832 28.762 -3.086 1.00 44.62 O ATOM 2024 CB VAL A 124 10.426 27.671 -5.864 1.00 44.90 C ATOM 2025 CG1 VAL A 124 10.742 28.951 -6.620 1.00 44.77 C ATOM 2026 CG2 VAL A 124 10.688 26.465 -6.748 1.00 48.78 C ATOM 2027 HA VAL A 124 12.336 27.647 -4.887 1.00 0.00 H ATOM 2028 HB VAL A 124 9.374 27.682 -5.581 1.00 0.00 H ATOM 2029 HG11 VAL A 124 10.530 29.810 -5.983 1.00 0.00 H ATOM 2030 HG12 VAL A 124 11.796 28.956 -6.900 1.00 0.00 H ATOM 2031 HG13 VAL A 124 10.126 29.003 -7.518 1.00 0.00 H ATOM 2032 HG21 VAL A 124 11.741 26.443 -7.027 1.00 0.00 H ATOM 2033 HG22 VAL A 124 10.436 25.555 -6.203 1.00 0.00 H ATOM 2034 HG23 VAL A 124 10.074 26.534 -7.646 1.00 0.00 H ATOM 2035 H VAL A 124 10.124 26.076 -3.562 1.00 0.00 H ATOM 2036 N VAL A 125 11.844 29.687 -3.505 1.00 41.81 N ATOM 2037 CA VAL A 125 11.641 30.818 -2.604 1.00 37.64 C ATOM 2038 C VAL A 125 11.921 32.192 -3.231 1.00 35.29 C ATOM 2039 O VAL A 125 12.616 32.288 -4.246 1.00 34.13 O ATOM 2040 CB VAL A 125 12.540 30.656 -1.351 1.00 37.13 C ATOM 2041 CG1 VAL A 125 12.053 29.485 -0.500 1.00 38.25 C ATOM 2042 CG2 VAL A 125 13.985 30.413 -1.775 1.00 36.05 C ATOM 2043 HA VAL A 125 10.581 30.800 -2.349 1.00 0.00 H ATOM 2044 HB VAL A 125 12.486 31.571 -0.762 1.00 0.00 H ATOM 2045 HG11 VAL A 125 11.027 29.670 -0.182 1.00 0.00 H ATOM 2046 HG12 VAL A 125 12.092 28.569 -1.089 1.00 0.00 H ATOM 2047 HG13 VAL A 125 12.693 29.383 0.376 1.00 0.00 H ATOM 2048 HG21 VAL A 125 14.038 29.505 -2.376 1.00 0.00 H ATOM 2049 HG22 VAL A 125 14.337 31.260 -2.363 1.00 0.00 H ATOM 2050 HG23 VAL A 125 14.609 30.301 -0.888 1.00 0.00 H ATOM 2051 H VAL A 125 12.730 29.624 -4.045 1.00 0.00 H ATOM 2052 N PRO A 126 11.364 33.272 -2.640 1.00 32.37 N ATOM 2053 CA PRO A 126 11.572 34.639 -3.144 1.00 30.39 C ATOM 2054 C PRO A 126 12.960 35.138 -2.714 1.00 28.34 C ATOM 2055 O PRO A 126 13.365 34.939 -1.570 1.00 27.95 O ATOM 2056 CB PRO A 126 10.445 35.425 -2.479 1.00 31.54 C ATOM 2057 CG PRO A 126 10.323 34.750 -1.140 1.00 30.82 C ATOM 2058 CD PRO A 126 10.398 33.270 -1.523 1.00 32.57 C ATOM 2059 HA PRO A 126 11.548 34.730 -4.230 1.00 0.00 H ATOM 2060 HD3 PRO A 126 10.760 32.666 -0.691 1.00 0.00 H ATOM 2061 HD2 PRO A 126 9.426 32.897 -1.845 1.00 0.00 H ATOM 2062 HG3 PRO A 126 9.373 34.988 -0.661 1.00 0.00 H ATOM 2063 HG2 PRO A 126 11.143 35.030 -0.478 1.00 0.00 H ATOM 2064 HB2 PRO A 126 10.710 36.476 -2.368 1.00 0.00 H ATOM 2065 HB3 PRO A 126 9.519 35.343 -3.048 1.00 0.00 H ATOM 2066 N VAL A 127 13.691 35.775 -3.623 1.00 28.47 N ATOM 2067 CA VAL A 127 15.026 36.267 -3.293 1.00 27.69 C ATOM 2068 C VAL A 127 15.256 37.751 -3.576 1.00 29.78 C ATOM 2069 O VAL A 127 16.266 38.315 -3.148 1.00 27.08 O ATOM 2070 CB VAL A 127 16.121 35.454 -4.033 1.00 27.92 C ATOM 2071 CG1 VAL A 127 16.104 34.004 -3.553 1.00 24.03 C ATOM 2072 CG2 VAL A 127 15.904 35.519 -5.542 1.00 28.57 C ATOM 2073 HA VAL A 127 15.096 36.133 -2.214 1.00 0.00 H ATOM 2074 HB VAL A 127 17.095 35.888 -3.809 1.00 0.00 H ATOM 2075 HG11 VAL A 127 16.297 33.975 -2.481 1.00 0.00 H ATOM 2076 HG12 VAL A 127 15.128 33.566 -3.760 1.00 0.00 H ATOM 2077 HG13 VAL A 127 16.876 33.440 -4.077 1.00 0.00 H ATOM 2078 HG21 VAL A 127 14.927 35.103 -5.786 1.00 0.00 H ATOM 2079 HG22 VAL A 127 15.950 36.557 -5.870 1.00 0.00 H ATOM 2080 HG23 VAL A 127 16.681 34.943 -6.045 1.00 0.00 H ATOM 2081 H VAL A 127 13.309 35.925 -4.579 1.00 0.00 H ATOM 2082 N HIS A 128 14.325 38.390 -4.280 1.00 30.06 N ATOM 2083 CA HIS A 128 14.480 39.804 -4.607 1.00 31.69 C ATOM 2084 C HIS A 128 13.154 40.481 -4.961 1.00 30.71 C ATOM 2085 O HIS A 128 12.311 39.889 -5.635 1.00 31.43 O ATOM 2086 CB HIS A 128 15.459 39.942 -5.782 1.00 37.71 C ATOM 2087 CG HIS A 128 15.692 41.353 -6.218 1.00 42.54 C ATOM 2088 ND1 HIS A 128 16.278 42.297 -5.402 1.00 45.43 N ATOM 2089 CD2 HIS A 128 15.403 41.987 -7.381 1.00 45.85 C ATOM 2090 CE1 HIS A 128 16.337 43.453 -6.042 1.00 47.44 C ATOM 2091 NE2 HIS A 128 15.813 43.292 -7.245 1.00 47.35 N ATOM 2092 HA HIS A 128 14.865 40.306 -3.719 1.00 0.00 H ATOM 2093 HB2 HIS A 128 16.416 39.513 -5.484 1.00 0.00 H ATOM 2094 HB3 HIS A 128 15.060 39.383 -6.628 1.00 0.00 H ATOM 2095 HD2 HIS A 128 14.933 41.545 -8.260 1.00 0.00 H ATOM 2096 HE1 HIS A 128 16.748 44.381 -5.645 1.00 0.00 H ATOM 2097 H HIS A 128 13.479 37.877 -4.600 1.00 0.00 H ATOM 2098 N LEU A 129 12.979 41.716 -4.494 1.00 29.14 N ATOM 2099 CA LEU A 129 11.776 42.502 -4.779 1.00 30.49 C ATOM 2100 C LEU A 129 12.111 43.371 -5.995 1.00 32.04 C ATOM 2101 O LEU A 129 12.859 44.339 -5.880 1.00 30.89 O ATOM 2102 CB LEU A 129 11.420 43.389 -3.574 1.00 30.07 C ATOM 2103 CG LEU A 129 10.205 44.314 -3.741 1.00 31.23 C ATOM 2104 CD1 LEU A 129 8.968 43.476 -4.072 1.00 29.96 C ATOM 2105 CD2 LEU A 129 9.978 45.131 -2.467 1.00 30.55 C ATOM 2106 HA LEU A 129 10.919 41.858 -4.974 1.00 0.00 H ATOM 2107 HB2 LEU A 129 11.224 42.733 -2.726 1.00 0.00 H ATOM 2108 HB3 LEU A 129 12.286 44.014 -3.355 1.00 0.00 H ATOM 2109 HG LEU A 129 10.392 45.009 -4.559 1.00 0.00 H ATOM 2110 HD21 LEU A 129 9.798 44.455 -1.631 1.00 0.00 H ATOM 2111 HD22 LEU A 129 10.861 45.737 -2.263 1.00 0.00 H ATOM 2112 HD23 LEU A 129 9.113 45.781 -2.603 1.00 0.00 H ATOM 2113 HD11 LEU A 129 9.139 42.929 -4.999 1.00 0.00 H ATOM 2114 HD12 LEU A 129 8.781 42.771 -3.262 1.00 0.00 H ATOM 2115 HD13 LEU A 129 8.107 44.133 -4.190 1.00 0.00 H ATOM 2116 H LEU A 129 13.725 42.138 -3.905 1.00 0.00 H ATOM 2117 N ASP A 130 11.576 43.021 -7.161 1.00 33.98 N ATOM 2118 CA ASP A 130 11.884 43.779 -8.373 1.00 36.99 C ATOM 2119 C ASP A 130 11.225 45.145 -8.404 1.00 39.29 C ATOM 2120 O ASP A 130 11.877 46.151 -8.698 1.00 41.39 O ATOM 2121 CB ASP A 130 11.488 42.990 -9.625 1.00 39.82 C ATOM 2122 CG ASP A 130 11.957 43.665 -10.911 1.00 43.33 C ATOM 2123 OD1 ASP A 130 11.459 44.764 -11.227 1.00 47.04 O ATOM 2124 OD2 ASP A 130 12.831 43.104 -11.600 1.00 44.52 O ATOM 2125 HA ASP A 130 12.962 43.938 -8.362 1.00 0.00 H ATOM 2126 HB2 ASP A 130 11.933 41.997 -9.568 1.00 0.00 H ATOM 2127 HB3 ASP A 130 10.402 42.899 -9.653 1.00 0.00 H ATOM 2128 H ASP A 130 10.935 42.204 -7.211 1.00 0.00 H ATOM 2129 N THR A 131 9.934 45.188 -8.102 1.00 39.17 N ATOM 2130 CA THR A 131 9.222 46.454 -8.108 1.00 39.37 C ATOM 2131 C THR A 131 7.786 46.276 -7.635 1.00 39.14 C ATOM 2132 O THR A 131 7.313 45.156 -7.440 1.00 36.53 O ATOM 2133 CB THR A 131 9.201 47.064 -9.530 1.00 41.00 C ATOM 2134 OG1 THR A 131 8.721 48.415 -9.474 1.00 42.01 O ATOM 2135 CG2 THR A 131 8.294 46.246 -10.440 1.00 39.04 C ATOM 2136 HA THR A 131 9.748 47.124 -7.427 1.00 0.00 H ATOM 2137 HB THR A 131 10.215 47.053 -9.929 1.00 0.00 H ATOM 2138 HG1 THR A 131 7.804 48.423 -9.101 1.00 0.00 H ATOM 2139 HG23 THR A 131 8.657 45.219 -10.484 1.00 0.00 H ATOM 2140 HG21 THR A 131 7.279 46.257 -10.044 1.00 0.00 H ATOM 2141 HG22 THR A 131 8.300 46.678 -11.441 1.00 0.00 H ATOM 2142 H THR A 131 9.429 44.311 -7.860 1.00 0.00 H ATOM 2143 N THR A 132 7.106 47.400 -7.445 1.00 40.60 N ATOM 2144 CA THR A 132 5.712 47.412 -7.026 1.00 41.82 C ATOM 2145 C THR A 132 4.982 48.257 -8.070 1.00 44.14 C ATOM 2146 O THR A 132 5.548 49.224 -8.581 1.00 44.48 O ATOM 2147 CB THR A 132 5.559 48.068 -5.635 1.00 42.57 C ATOM 2148 OG1 THR A 132 6.116 49.390 -5.664 1.00 42.48 O ATOM 2149 CG2 THR A 132 6.277 47.242 -4.569 1.00 41.18 C ATOM 2150 HA THR A 132 5.314 46.400 -6.952 1.00 0.00 H ATOM 2151 HB THR A 132 4.498 48.116 -5.388 1.00 0.00 H ATOM 2152 HG1 THR A 132 5.638 49.933 -6.340 1.00 0.00 H ATOM 2153 HG23 THR A 132 5.856 46.237 -4.545 1.00 0.00 H ATOM 2154 HG21 THR A 132 7.339 47.186 -4.808 1.00 0.00 H ATOM 2155 HG22 THR A 132 6.147 47.715 -3.596 1.00 0.00 H ATOM 2156 H THR A 132 7.588 48.308 -7.602 1.00 0.00 H ATOM 2157 N ILE A 133 3.746 47.893 -8.408 1.00 44.20 N ATOM 2158 CA ILE A 133 2.996 48.664 -9.398 1.00 47.30 C ATOM 2159 C ILE A 133 1.598 49.058 -8.916 1.00 46.34 C ATOM 2160 O ILE A 133 0.840 48.221 -8.420 1.00 46.23 O ATOM 2161 CB ILE A 133 2.863 47.896 -10.741 1.00 49.12 C ATOM 2162 CG1 ILE A 133 2.022 46.633 -10.551 1.00 50.01 C ATOM 2163 CG2 ILE A 133 4.246 47.521 -11.265 1.00 49.22 C ATOM 2164 CD1 ILE A 133 1.725 45.903 -11.845 1.00 52.07 C ATOM 2165 HA ILE A 133 3.575 49.575 -9.550 1.00 0.00 H ATOM 2166 HB ILE A 133 2.367 48.543 -11.465 1.00 0.00 H ATOM 2167 HG12 ILE A 133 2.561 45.956 -9.889 1.00 0.00 H ATOM 2168 HG13 ILE A 133 1.076 46.915 -10.089 1.00 0.00 H ATOM 2169 HD11 ILE A 133 1.175 46.564 -12.515 1.00 0.00 H ATOM 2170 HD12 ILE A 133 2.662 45.604 -12.315 1.00 0.00 H ATOM 2171 HD13 ILE A 133 1.125 45.018 -11.632 1.00 0.00 H ATOM 2172 HG21 ILE A 133 4.830 48.427 -11.425 1.00 0.00 H ATOM 2173 HG22 ILE A 133 4.750 46.886 -10.536 1.00 0.00 H ATOM 2174 HG23 ILE A 133 4.143 46.983 -12.207 1.00 0.00 H ATOM 2175 H ILE A 133 3.313 47.057 -7.966 1.00 0.00 H TER 2176 ILE A 133 HETATM 2177 O HOH 1 17.958 38.581 -0.892 1.00 29.21 O HETATM 2178 O HOH 2 21.490 31.894 -0.523 1.00 44.09 O HETATM 2179 O HOH 3 20.482 46.470 2.651 1.00 48.89 O HETATM 2180 O HOH 4 4.767 41.041 11.925 1.00 41.86 O HETATM 2181 O HOH 5 8.947 35.928 -24.230 1.00 54.59 O HETATM 2182 O HOH 6 4.609 51.699 11.137 1.00 48.51 O HETATM 2183 O HOH 7 6.953 51.223 16.763 1.00 54.52 O HETATM 2184 O HOH 8 16.985 53.781 11.716 1.00 40.16 O HETATM 2185 O HOH 9 19.263 52.627 11.012 1.00 33.86 O HETATM 2186 O HOH 10 0.208 57.246 7.326 1.00 53.24 O HETATM 2187 O HOH 11 26.393 50.479 2.341 1.00 47.66 O HETATM 2188 O HOH 12 22.284 57.192 2.644 1.00 49.10 O HETATM 2189 O HOH 13 23.138 53.693 1.164 1.00 60.78 O HETATM 2190 O HOH 14 24.593 56.976 6.428 1.00 48.00 O HETATM 2191 O HOH 15 20.704 53.216 -0.485 1.00 44.82 O HETATM 2192 O HOH 16 11.439 51.247 -2.133 1.00 58.06 O HETATM 2193 O HOH 17 12.509 48.132 -1.233 1.00 29.92 O HETATM 2194 O HOH 18 -1.449 38.669 1.943 1.00 53.57 O HETATM 2195 O HOH 19 4.909 38.509 8.483 1.00 43.08 O HETATM 2196 O HOH 20 6.041 35.623 7.499 1.00 40.84 O HETATM 2197 O HOH 21 4.722 32.347 6.456 1.00 42.25 O HETATM 2198 O HOH 22 3.407 36.480 -12.727 1.00 35.81 O HETATM 2199 O HOH 23 5.374 35.380 -20.071 1.00 53.92 O HETATM 2200 O HOH 24 9.636 38.359 -23.471 1.00 43.43 O HETATM 2201 O HOH 25 15.226 46.054 -17.976 1.00 45.79 O HETATM 2202 O HOH 26 7.798 40.880 -20.553 1.00 30.40 O HETATM 2203 O HOH 27 10.991 31.437 -11.190 1.00 47.19 O HETATM 2204 O HOH 28 -6.376 44.030 -6.062 1.00 47.39 O HETATM 2205 O HOH 29 0.137 49.962 5.043 1.00 33.31 O HETATM 2206 O HOH 30 2.786 53.465 -2.732 1.00 43.70 O HETATM 2207 O HOH 31 7.611 60.189 3.130 1.00 33.06 O HETATM 2208 O HOH 32 15.528 64.910 3.389 1.00 46.90 O HETATM 2209 O HOH 33 19.520 65.844 5.948 1.00 55.73 O HETATM 2210 O HOH 34 9.537 60.731 10.877 1.00 48.50 O HETATM 2211 O HOH 35 2.526 57.361 8.526 1.00 50.70 O HETATM 2212 O HOH 36 9.877 56.108 11.705 1.00 35.59 O HETATM 2213 O HOH 37 6.924 59.147 10.033 1.00 65.48 O HETATM 2214 O HOH 38 4.756 59.604 8.360 1.00 52.00 O HETATM 2215 O HOH 39 7.703 54.962 -3.809 1.00 46.99 O HETATM 2216 O HOH 40 0.024 53.131 -3.113 1.00 38.30 O HETATM 2217 O HOH 41 -6.012 44.728 0.724 1.00 49.69 O HETATM 2218 O HOH 42 0.824 38.193 -1.098 1.00 39.72 O HETATM 2219 O HOH 43 18.537 30.957 -2.878 1.00 51.19 O HETATM 2220 O HOH 44 17.799 31.575 -0.439 1.00 32.84 O HETATM 2221 O HOH 45 12.699 27.213 1.937 1.00 49.33 O HETATM 2222 O HOH 46 8.260 26.373 -2.748 1.00 55.30 O HETATM 2223 O HOH 47 18.659 39.849 -4.567 1.00 57.41 O HETATM 2224 O HOH 48 11.654 49.138 -7.934 1.00 62.55 O HETATM 2225 O HOH 49 14.877 46.324 -8.707 1.00 52.68 O HETATM 2226 O HOH 50 14.903 42.702 -2.984 1.00 45.33 O HETATM 2227 O HOH 51 16.529 41.146 -0.256 1.00 31.11 O HETATM 2228 O HOH 52 20.079 50.530 -1.598 1.00 53.04 O HETATM 2229 O HOH 53 23.362 44.016 -1.745 1.00 48.15 O HETATM 2230 O HOH 54 20.704 42.723 -0.898 1.00 50.92 O HETATM 2231 P1 A A 2 17.384 45.093 -1.912 1.00 0.20 P HETATM 2232 O2' A A 2 17.819 45.175 -3.490 1.00 -0.26 O HETATM 2233 C2' A A 2 19.046 45.866 -3.813 1.00 0.17 C HETATM 2234 C1' A A 2 19.511 45.525 -5.188 1.00 0.21 C HETATM 2235 O4' A A 2 20.432 46.624 -5.532 1.00 -0.34 O HETATM 2236 C4' A A 2 20.039 47.834 -4.752 1.00 0.12 C HETATM 2237 C3' A A 2 18.824 47.395 -3.914 1.00 0.12 C HETATM 2238 O3' A A 2 17.577 47.789 -4.418 1.00 -0.39 O HETATM 2239 H5 A A 2 16.889 47.453 -3.856 1.00 0.21 H HETATM 2240 H4 A A 2 18.905 47.835 -2.909 1.00 0.07 H HETATM 2241 C5' A A 2 21.277 48.348 -4.013 1.00 0.11 C HETATM 2242 O5' A A 2 21.926 47.218 -3.265 1.00 -0.27 O HETATM 2243 P2 A A 2 22.828 47.739 -2.022 1.00 0.20 P HETATM 2244 O6P A A 2 24.040 48.083 -2.669 1.00 -0.55 O HETATM 2245 O5P A A 2 23.075 46.661 -1.050 1.00 -0.55 O HETATM 2246 O4P A A 2 22.275 48.957 -1.368 1.00 -0.55 O HETATM 2247 H1 A A 2 20.979 49.133 -3.303 1.00 0.06 H HETATM 2248 H2 A A 2 21.991 48.763 -4.740 1.00 0.06 H HETATM 2249 H3 A A 2 19.710 48.631 -5.435 1.00 0.07 H HETATM 2250 N9 A A 2 20.270 44.219 -5.268 1.00 -0.19 N HETATM 2251 C4 A A 2 20.033 43.257 -6.230 1.00 0.16 C HETATM 2252 C5 A A 2 20.961 42.228 -5.922 1.00 0.10 C HETATM 2253 N7 A A 2 21.730 42.529 -4.836 1.00 -0.30 N HETATM 2254 C8 A A 2 21.307 43.731 -4.448 1.00 0.11 C HETATM 2255 H8 A A 2 21.715 44.273 -3.596 1.00 0.13 H HETATM 2256 C6 A A 2 20.913 41.059 -6.818 1.00 0.13 C HETATM 2257 N1 A A 2 19.975 41.125 -7.834 1.00 -0.27 N HETATM 2258 C2 A A 2 19.129 42.209 -8.011 1.00 0.05 C HETATM 2259 N3 A A 2 19.116 43.295 -7.241 1.00 -0.27 N HETATM 2260 H11 A A 2 18.427 42.169 -8.836 1.00 0.10 H HETATM 2261 N6 A A 2 21.695 40.010 -6.690 1.00 -0.32 N HETATM 2262 H9 A A 2 21.613 39.223 -7.349 1.00 0.18 H HETATM 2263 H10 A A 2 22.390 39.975 -5.930 1.00 0.18 H HETATM 2264 H7 A A 2 18.656 45.490 -5.879 1.00 0.10 H HETATM 2265 H6 A A 2 19.812 45.624 -3.061 1.00 0.07 H HETATM 2266 O3P A A 2 16.579 46.291 -1.568 1.00 -0.55 O HETATM 2267 O2P A A 2 18.590 45.032 -1.049 1.00 -0.55 O HETATM 2268 O1P A A 2 16.578 43.874 -1.695 1.00 -0.55 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 400 399 1386 CONECT 644 643 1566 CONECT 932 931 1819 CONECT 1034 1033 1173 CONECT 1173 1034 1172 CONECT 1386 400 1385 CONECT 1566 644 1565 CONECT 1819 932 1818 CONECT 2231 2232 2266 2267 2268 CONECT 2232 2231 2233 CONECT 2233 2232 2234 2237 2265 CONECT 2234 2233 2235 2250 2264 CONECT 2235 2234 2236 CONECT 2236 2235 2237 2241 2249 CONECT 2237 2233 2236 2238 2240 CONECT 2238 2237 2239 CONECT 2239 2238 CONECT 2240 2237 CONECT 2241 2236 2242 2247 2248 CONECT 2242 2241 2243 CONECT 2243 2242 2244 2245 2246 CONECT 2244 2243 CONECT 2245 2243 CONECT 2246 2243 CONECT 2247 2241 CONECT 2248 2241 CONECT 2249 2236 CONECT 2250 2234 2251 2254 CONECT 2251 2250 2252 2259 CONECT 2252 2251 2253 2256 CONECT 2253 2252 2254 CONECT 2254 2250 2253 2255 CONECT 2255 2254 CONECT 2256 2252 2257 2261 CONECT 2257 2256 2258 CONECT 2258 2257 2259 2260 CONECT 2259 2251 2258 CONECT 2260 2258 CONECT 2261 2256 2262 2263 CONECT 2262 2261 CONECT 2263 2261 CONECT 2264 2234 CONECT 2265 2233 CONECT 2266 2231 CONECT 2267 2231 CONECT 2268 2231 MASTER 0 0 0 0 0 0 0 0 2267 1 50 11 END
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Structure:
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Related entries of code: 1h1h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1hi3
RCSB PDB
PDBbind
A2P
1o0o
RCSB PDB
PDBbind
A2P
2gz2
RCSB PDB
PDBbind
A2P
4r3w
RCSB PDB
PDBbind
A2P
Entry Information
PDB ID
1h1h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
eosinophil cationic protein
Ligand Name
A2P
EC.Number
E.C.3.1.27.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=6uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v41 pp. 12100-6, 2002
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.97 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(O)(O)O)O[C@H]([C@@H]1OP(O)(O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12724
Entrez Gene ID
NCBI Entrez Gene ID:
6037
ASD
Information of known allosteric effects of PDB entries
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