Browse entries in the PDBbind-CN Database
HEADER 1HI3_COMPLEX COMPND 1HI3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 MET LYS PRO PRO GLN PHE THR TRP ALA GLN TRP PHE GLU SEQRES 2 A 135 THR GLN HIS ILE ASN MET THR SER GLN GLN CYS THR ASN SEQRES 3 A 135 ALA MET GLN VAL ILE ASN ASN TYR GLN ARG ARG CYS LYS SEQRES 4 A 135 ASN GLN ASN THR PHE LEU LEU THR THR PHE ALA ASN VAL SEQRES 5 A 135 VAL ASN VAL CYS GLY ASN PRO ASN MET THR CYS PRO SER SEQRES 6 A 135 ASN LYS THR ARG LYS ASN CYS HIS HIS SER GLY SER GLN SEQRES 7 A 135 VAL PRO LEU ILE HIS CYS ASN LEU THR THR PRO SER PRO SEQRES 8 A 135 GLN ASN ILE SER ASN CYS ARG TYR ALA GLN THR PRO ALA SEQRES 9 A 135 ASN MET PHE TYR ILE VAL ALA CYS ASP ASN ARG ASP GLN SEQRES 10 A 135 ARG ARG ASP PRO PRO GLN TYR PRO VAL VAL PRO VAL HIS SEQRES 11 A 135 LEU ASP ARG ILE 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 7.862 15.385 12.478 1.00 24.05 N ATOM 2 CA MET A 0 7.442 15.465 13.903 1.00 23.13 C ATOM 3 C MET A 0 7.795 14.165 14.603 1.00 20.45 C ATOM 4 O MET A 0 7.779 13.097 13.995 1.00 21.42 O ATOM 5 CB MET A 0 5.931 15.714 14.009 1.00 23.58 C ATOM 6 CG MET A 0 5.078 14.482 13.793 1.00 26.89 C ATOM 7 SD MET A 0 4.741 14.246 12.047 1.00 33.42 S ATOM 8 CE MET A 0 3.780 12.758 12.094 1.00 32.52 C ATOM 9 HA MET A 0 7.964 16.296 14.378 1.00 0.00 H ATOM 10 HB2 MET A 0 5.719 16.106 15.004 1.00 0.00 H ATOM 11 HB3 MET A 0 5.654 16.456 13.260 1.00 0.00 H ATOM 12 HG2 MET A 0 4.135 14.600 14.327 1.00 0.00 H ATOM 13 HG3 MET A 0 5.605 13.609 14.178 1.00 0.00 H ATOM 14 HE1 MET A 0 4.373 11.958 12.537 1.00 0.00 H ATOM 15 HE2 MET A 0 2.885 12.924 12.694 1.00 0.00 H ATOM 16 HE3 MET A 0 3.493 12.480 11.080 1.00 0.00 H ATOM 17 HN3 MET A 0 7.368 14.595 12.016 1.00 0.00 H ATOM 18 HN2 MET A 0 8.889 15.230 12.429 1.00 0.00 H ATOM 19 HN1 MET A 0 7.621 16.275 11.996 1.00 0.00 H ATOM 20 N LYS A 1 8.110 14.261 15.886 1.00 18.11 N ATOM 21 CA LYS A 1 8.465 13.082 16.657 1.00 16.01 C ATOM 22 C LYS A 1 7.587 12.926 17.888 1.00 15.46 C ATOM 23 O LYS A 1 7.048 13.904 18.413 1.00 12.62 O ATOM 24 CB LYS A 1 9.928 13.169 17.105 1.00 16.41 C ATOM 25 CG LYS A 1 10.225 14.357 18.020 1.00 12.34 C ATOM 26 CD LYS A 1 11.599 14.243 18.701 1.00 12.82 C ATOM 27 CE LYS A 1 11.920 15.498 19.522 1.00 11.86 C ATOM 28 NZ LYS A 1 11.214 15.508 20.840 1.00 9.52 N ATOM 29 HA LYS A 1 8.315 12.217 16.011 1.00 0.00 H ATOM 30 HB2 LYS A 1 10.179 12.253 17.639 1.00 0.00 H ATOM 31 HB3 LYS A 1 10.555 13.254 16.217 1.00 0.00 H ATOM 32 HG2 LYS A 1 10.203 15.271 17.426 1.00 0.00 H ATOM 33 HG3 LYS A 1 9.455 14.407 18.790 1.00 0.00 H ATOM 34 HD2 LYS A 1 11.597 13.377 19.362 1.00 0.00 H ATOM 35 HD3 LYS A 1 12.365 14.113 17.936 1.00 0.00 H ATOM 36 HE2 LYS A 1 11.615 16.377 18.954 1.00 0.00 H ATOM 37 HE3 LYS A 1 12.995 15.536 19.699 1.00 0.00 H ATOM 38 HZ1 LYS A 1 10.187 15.479 20.682 1.00 0.00 H ATOM 39 HZ2 LYS A 1 11.504 14.677 21.394 1.00 0.00 H ATOM 40 HZ3 LYS A 1 11.462 16.375 21.358 1.00 0.00 H ATOM 41 H LYS A 1 8.103 15.193 16.348 1.00 0.00 H ATOM 42 N PRO A 2 7.410 11.677 18.346 1.00 15.89 N ATOM 43 CA PRO A 2 6.601 11.405 19.538 1.00 13.98 C ATOM 44 C PRO A 2 7.312 12.152 20.670 1.00 11.42 C ATOM 45 O PRO A 2 8.527 12.389 20.602 1.00 11.47 O ATOM 46 CB PRO A 2 6.688 9.884 19.708 1.00 15.75 C ATOM 47 CG PRO A 2 7.175 9.361 18.390 1.00 16.86 C ATOM 48 CD PRO A 2 7.964 10.447 17.746 1.00 16.75 C ATOM 49 HA PRO A 2 5.557 11.715 19.502 1.00 0.00 H ATOM 50 HD3 PRO A 2 9.025 10.346 17.974 1.00 0.00 H ATOM 51 HD2 PRO A 2 7.824 10.443 16.665 1.00 0.00 H ATOM 52 HG3 PRO A 2 6.328 9.091 17.760 1.00 0.00 H ATOM 53 HG2 PRO A 2 7.804 8.485 18.546 1.00 0.00 H ATOM 54 HB2 PRO A 2 7.389 9.629 20.502 1.00 0.00 H ATOM 55 HB3 PRO A 2 5.708 9.470 19.944 1.00 0.00 H ATOM 56 N PRO A 3 6.585 12.489 21.741 1.00 11.40 N ATOM 57 CA PRO A 3 7.166 13.225 22.874 1.00 10.39 C ATOM 58 C PRO A 3 8.227 12.484 23.690 1.00 10.58 C ATOM 59 O PRO A 3 9.090 13.107 24.300 1.00 9.26 O ATOM 60 CB PRO A 3 5.946 13.589 23.712 1.00 9.46 C ATOM 61 CG PRO A 3 4.999 12.431 23.463 1.00 9.59 C ATOM 62 CD PRO A 3 5.176 12.122 21.989 1.00 9.74 C ATOM 63 HA PRO A 3 7.741 14.079 22.516 1.00 0.00 H ATOM 64 HD3 PRO A 3 5.004 11.065 21.786 1.00 0.00 H ATOM 65 HD2 PRO A 3 4.501 12.722 21.379 1.00 0.00 H ATOM 66 HG3 PRO A 3 3.970 12.719 23.678 1.00 0.00 H ATOM 67 HG2 PRO A 3 5.270 11.570 24.075 1.00 0.00 H ATOM 68 HB2 PRO A 3 6.205 13.663 24.768 1.00 0.00 H ATOM 69 HB3 PRO A 3 5.509 14.531 23.379 1.00 0.00 H ATOM 70 N GLN A 4 8.171 11.158 23.699 1.00 9.91 N ATOM 71 CA GLN A 4 9.133 10.371 24.473 1.00 11.69 C ATOM 72 C GLN A 4 10.565 10.331 23.917 1.00 10.60 C ATOM 73 O GLN A 4 11.462 9.772 24.550 1.00 12.55 O ATOM 74 CB GLN A 4 8.625 8.936 24.637 1.00 9.33 C ATOM 75 CG GLN A 4 8.658 8.115 23.349 1.00 10.65 C ATOM 76 CD GLN A 4 7.346 8.160 22.606 1.00 9.42 C ATOM 77 OE1 GLN A 4 6.644 9.177 22.626 1.00 10.08 O ATOM 78 NE2 GLN A 4 7.004 7.059 21.937 1.00 11.25 N ATOM 79 HA GLN A 4 9.202 10.890 25.429 1.00 0.00 H ATOM 80 HB2 GLN A 4 9.246 8.435 25.379 1.00 0.00 H ATOM 81 HB3 GLN A 4 7.595 8.975 24.993 1.00 0.00 H ATOM 82 HG2 GLN A 4 9.441 8.510 22.702 1.00 0.00 H ATOM 83 HG3 GLN A 4 8.884 7.078 23.600 1.00 0.00 H ATOM 84 HE22 GLN A 4 7.628 6.227 21.950 1.00 0.00 H ATOM 85 HE21 GLN A 4 6.113 7.032 21.402 1.00 0.00 H ATOM 86 H GLN A 4 7.434 10.672 23.149 1.00 0.00 H ATOM 87 N PHE A 5 10.784 10.914 22.747 1.00 10.04 N ATOM 88 CA PHE A 5 12.112 10.909 22.157 1.00 11.03 C ATOM 89 C PHE A 5 12.742 12.305 22.079 1.00 11.32 C ATOM 90 O PHE A 5 12.048 13.311 21.884 1.00 9.82 O ATOM 91 CB PHE A 5 12.059 10.317 20.733 1.00 14.01 C ATOM 92 CG PHE A 5 11.523 8.902 20.663 1.00 16.83 C ATOM 93 CD1 PHE A 5 10.399 8.606 19.887 1.00 16.61 C ATOM 94 CD2 PHE A 5 12.143 7.869 21.366 1.00 16.41 C ATOM 95 CE1 PHE A 5 9.900 7.305 19.809 1.00 16.34 C ATOM 96 CE2 PHE A 5 11.650 6.560 21.295 1.00 17.41 C ATOM 97 CZ PHE A 5 10.528 6.278 20.515 1.00 16.54 C ATOM 98 HA PHE A 5 12.732 10.297 22.812 1.00 0.00 H ATOM 99 HB2 PHE A 5 11.420 10.955 20.122 1.00 0.00 H ATOM 100 HB3 PHE A 5 13.070 10.320 20.325 1.00 0.00 H ATOM 101 HD2 PHE A 5 13.020 8.083 21.977 1.00 0.00 H ATOM 102 HE2 PHE A 5 12.143 5.761 21.849 1.00 0.00 H ATOM 103 HZ PHE A 5 10.144 5.260 20.457 1.00 0.00 H ATOM 104 HE1 PHE A 5 9.023 7.092 19.199 1.00 0.00 H ATOM 105 HD1 PHE A 5 9.904 9.404 19.334 1.00 0.00 H ATOM 106 H PHE A 5 9.999 11.379 22.247 1.00 0.00 H ATOM 107 N THR A 6 14.061 12.351 22.243 1.00 10.03 N ATOM 108 CA THR A 6 14.818 13.593 22.118 1.00 9.81 C ATOM 109 C THR A 6 15.084 13.608 20.615 1.00 8.72 C ATOM 110 O THR A 6 14.841 12.604 19.927 1.00 9.77 O ATOM 111 CB THR A 6 16.183 13.521 22.841 1.00 9.55 C ATOM 112 OG1 THR A 6 16.950 12.437 22.297 1.00 9.40 O ATOM 113 CG2 THR A 6 16.006 13.310 24.322 1.00 8.48 C ATOM 114 HA THR A 6 14.296 14.454 22.536 1.00 0.00 H ATOM 115 HB THR A 6 16.702 14.467 22.689 1.00 0.00 H ATOM 116 HG1 THR A 6 17.825 12.389 22.758 1.00 0.00 H ATOM 117 HG23 THR A 6 15.424 14.132 24.738 1.00 0.00 H ATOM 118 HG21 THR A 6 15.483 12.369 24.494 1.00 0.00 H ATOM 119 HG22 THR A 6 16.984 13.276 24.802 1.00 0.00 H ATOM 120 H THR A 6 14.570 11.473 22.468 1.00 0.00 H ATOM 121 N TRP A 7 15.584 14.713 20.088 1.00 8.53 N ATOM 122 CA TRP A 7 15.855 14.774 18.653 1.00 8.91 C ATOM 123 C TRP A 7 16.843 13.698 18.230 1.00 7.20 C ATOM 124 O TRP A 7 16.680 13.078 17.186 1.00 8.94 O ATOM 125 CB TRP A 7 16.373 16.166 18.274 1.00 9.77 C ATOM 126 CG TRP A 7 15.281 17.189 18.356 1.00 12.99 C ATOM 127 CD1 TRP A 7 15.149 18.186 19.284 1.00 13.87 C ATOM 128 CD2 TRP A 7 14.111 17.253 17.530 1.00 12.75 C ATOM 129 NE1 TRP A 7 13.962 18.863 19.087 1.00 16.19 N ATOM 130 CE2 TRP A 7 13.308 18.307 18.019 1.00 14.98 C ATOM 131 CE3 TRP A 7 13.662 16.515 16.426 1.00 13.32 C ATOM 132 CZ2 TRP A 7 12.084 18.644 17.441 1.00 16.02 C ATOM 133 CZ3 TRP A 7 12.445 16.850 15.849 1.00 15.88 C ATOM 134 CH2 TRP A 7 11.670 17.905 16.358 1.00 16.37 C ATOM 135 HA TRP A 7 14.921 14.589 18.122 1.00 0.00 H ATOM 136 HB2 TRP A 7 17.175 16.446 18.957 1.00 0.00 H ATOM 137 HB3 TRP A 7 16.759 16.137 17.255 1.00 0.00 H ATOM 138 HE1 TRP A 7 13.620 19.664 19.656 1.00 0.00 H ATOM 139 HD1 TRP A 7 15.875 18.413 20.065 1.00 0.00 H ATOM 140 HZ2 TRP A 7 11.479 19.462 17.833 1.00 0.00 H ATOM 141 HH2 TRP A 7 10.718 18.143 15.883 1.00 0.00 H ATOM 142 HZ3 TRP A 7 12.085 16.286 14.988 1.00 0.00 H ATOM 143 HE3 TRP A 7 14.258 15.693 16.028 1.00 0.00 H ATOM 144 H TRP A 7 15.784 15.536 20.692 1.00 0.00 H ATOM 145 N ALA A 8 17.864 13.467 19.052 1.00 7.41 N ATOM 146 CA ALA A 8 18.866 12.456 18.747 1.00 6.07 C ATOM 147 C ALA A 8 18.252 11.054 18.779 1.00 7.39 C ATOM 148 O ALA A 8 18.565 10.211 17.939 1.00 6.42 O ATOM 149 CB ALA A 8 20.018 12.540 19.739 1.00 6.32 C ATOM 150 HA ALA A 8 19.245 12.645 17.743 1.00 0.00 H ATOM 151 HB1 ALA A 8 20.477 13.527 19.678 1.00 0.00 H ATOM 152 HB2 ALA A 8 19.640 12.375 20.748 1.00 0.00 H ATOM 153 HB3 ALA A 8 20.759 11.778 19.498 1.00 0.00 H ATOM 154 H ALA A 8 17.948 14.019 19.929 1.00 0.00 H ATOM 155 N GLN A 9 17.384 10.797 19.752 1.00 6.97 N ATOM 156 CA GLN A 9 16.766 9.478 19.833 1.00 8.60 C ATOM 157 C GLN A 9 15.855 9.240 18.621 1.00 8.59 C ATOM 158 O GLN A 9 15.726 8.108 18.145 1.00 6.84 O ATOM 159 CB GLN A 9 16.002 9.331 21.153 1.00 10.30 C ATOM 160 CG GLN A 9 16.924 9.189 22.351 1.00 10.82 C ATOM 161 CD GLN A 9 16.192 9.346 23.664 1.00 13.41 C ATOM 162 OE1 GLN A 9 15.044 9.795 23.692 1.00 11.89 O ATOM 163 NE2 GLN A 9 16.852 8.974 24.767 1.00 14.25 N ATOM 164 HA GLN A 9 17.546 8.716 19.814 1.00 0.00 H ATOM 165 HB2 GLN A 9 15.378 10.213 21.295 1.00 0.00 H ATOM 166 HB3 GLN A 9 15.369 8.446 21.093 1.00 0.00 H ATOM 167 HG2 GLN A 9 17.385 8.202 22.323 1.00 0.00 H ATOM 168 HG3 GLN A 9 17.699 9.953 22.289 1.00 0.00 H ATOM 169 HE22 GLN A 9 17.820 8.601 24.693 1.00 0.00 H ATOM 170 HE21 GLN A 9 16.397 9.058 25.698 1.00 0.00 H ATOM 171 H GLN A 9 17.147 11.530 20.450 1.00 0.00 H ATOM 172 N TRP A 10 15.254 10.316 18.107 1.00 9.15 N ATOM 173 CA TRP A 10 14.390 10.224 16.931 1.00 9.25 C ATOM 174 C TRP A 10 15.262 10.043 15.689 1.00 9.34 C ATOM 175 O TRP A 10 14.920 9.269 14.796 1.00 6.98 O ATOM 176 CB TRP A 10 13.539 11.487 16.781 1.00 8.06 C ATOM 177 CG TRP A 10 12.489 11.386 15.685 1.00 11.20 C ATOM 178 CD1 TRP A 10 12.287 12.269 14.656 1.00 10.19 C ATOM 179 CD2 TRP A 10 11.498 10.355 15.526 1.00 8.62 C ATOM 180 NE1 TRP A 10 11.235 11.852 13.875 1.00 8.82 N ATOM 181 CE2 TRP A 10 10.733 10.682 14.383 1.00 9.83 C ATOM 182 CE3 TRP A 10 11.182 9.187 16.240 1.00 8.62 C ATOM 183 CZ2 TRP A 10 9.668 9.883 13.931 1.00 9.14 C ATOM 184 CZ3 TRP A 10 10.115 8.391 15.787 1.00 9.76 C ATOM 185 CH2 TRP A 10 9.375 8.750 14.643 1.00 7.18 C ATOM 186 HA TRP A 10 13.720 9.372 17.049 1.00 0.00 H ATOM 187 HB2 TRP A 10 13.033 11.676 17.728 1.00 0.00 H ATOM 188 HB3 TRP A 10 14.200 12.323 16.550 1.00 0.00 H ATOM 189 HE1 TRP A 10 10.877 12.346 13.033 1.00 0.00 H ATOM 190 HD1 TRP A 10 12.875 13.170 14.482 1.00 0.00 H ATOM 191 HZ2 TRP A 10 9.095 10.156 13.045 1.00 0.00 H ATOM 192 HH2 TRP A 10 8.552 8.113 14.318 1.00 0.00 H ATOM 193 HZ3 TRP A 10 9.856 7.482 16.330 1.00 0.00 H ATOM 194 HE3 TRP A 10 11.751 8.904 17.125 1.00 0.00 H ATOM 195 H TRP A 10 15.404 11.243 18.554 1.00 0.00 H ATOM 196 N PHE A 11 16.383 10.765 15.635 1.00 8.04 N ATOM 197 CA PHE A 11 17.312 10.645 14.516 1.00 7.39 C ATOM 198 C PHE A 11 17.743 9.183 14.422 1.00 7.76 C ATOM 199 O PHE A 11 17.770 8.591 13.333 1.00 6.81 O ATOM 200 CB PHE A 11 18.554 11.520 14.733 1.00 7.33 C ATOM 201 CG PHE A 11 19.617 11.331 13.680 1.00 7.56 C ATOM 202 CD1 PHE A 11 19.614 12.110 12.522 1.00 7.38 C ATOM 203 CD2 PHE A 11 20.605 10.351 13.827 1.00 6.93 C ATOM 204 CE1 PHE A 11 20.568 11.922 11.524 1.00 6.30 C ATOM 205 CE2 PHE A 11 21.573 10.155 12.823 1.00 8.11 C ATOM 206 CZ PHE A 11 21.547 10.944 11.669 1.00 7.67 C ATOM 207 HA PHE A 11 16.820 10.975 13.601 1.00 0.00 H ATOM 208 HB2 PHE A 11 18.245 12.565 14.727 1.00 0.00 H ATOM 209 HB3 PHE A 11 18.983 11.275 15.704 1.00 0.00 H ATOM 210 HD2 PHE A 11 20.626 9.734 14.726 1.00 0.00 H ATOM 211 HE2 PHE A 11 22.340 9.390 12.945 1.00 0.00 H ATOM 212 HZ PHE A 11 22.291 10.794 10.886 1.00 0.00 H ATOM 213 HE1 PHE A 11 20.547 12.542 10.628 1.00 0.00 H ATOM 214 HD1 PHE A 11 18.852 12.879 12.396 1.00 0.00 H ATOM 215 H PHE A 11 16.599 11.427 16.407 1.00 0.00 H ATOM 216 N GLU A 12 18.059 8.604 15.578 1.00 7.66 N ATOM 217 CA GLU A 12 18.477 7.209 15.651 1.00 9.20 C ATOM 218 C GLU A 12 17.369 6.259 15.182 1.00 8.78 C ATOM 219 O GLU A 12 17.625 5.322 14.422 1.00 7.51 O ATOM 220 CB GLU A 12 18.887 6.845 17.083 1.00 11.00 C ATOM 221 CG GLU A 12 19.579 5.491 17.182 1.00 16.20 C ATOM 222 CD GLU A 12 20.095 5.196 18.577 1.00 19.36 C ATOM 223 OE1 GLU A 12 19.379 5.532 19.546 1.00 21.89 O ATOM 224 OE2 GLU A 12 21.205 4.628 18.704 1.00 17.85 O ATOM 225 HA GLU A 12 19.332 7.094 14.985 1.00 0.00 H ATOM 226 HB2 GLU A 12 19.568 7.611 17.454 1.00 0.00 H ATOM 227 HB3 GLU A 12 17.992 6.824 17.705 1.00 0.00 H ATOM 228 HG2 GLU A 12 18.867 4.714 16.902 1.00 0.00 H ATOM 229 HG3 GLU A 12 20.420 5.478 16.489 1.00 0.00 H ATOM 230 H GLU A 12 18.006 9.162 16.454 1.00 0.00 H ATOM 231 N THR A 13 16.146 6.511 15.636 1.00 7.44 N ATOM 232 CA THR A 13 15.001 5.687 15.280 1.00 7.71 C ATOM 233 C THR A 13 14.695 5.803 13.786 1.00 10.16 C ATOM 234 O THR A 13 14.352 4.815 13.134 1.00 11.00 O ATOM 235 CB THR A 13 13.758 6.107 16.105 1.00 7.35 C ATOM 236 OG1 THR A 13 14.019 5.875 17.490 1.00 9.13 O ATOM 237 CG2 THR A 13 12.526 5.310 15.689 1.00 7.62 C ATOM 238 HA THR A 13 15.245 4.649 15.507 1.00 0.00 H ATOM 239 HB THR A 13 13.562 7.164 15.923 1.00 0.00 H ATOM 240 HG1 THR A 13 14.803 6.410 17.771 1.00 0.00 H ATOM 241 HG23 THR A 13 12.322 5.484 14.632 1.00 0.00 H ATOM 242 HG21 THR A 13 12.708 4.248 15.856 1.00 0.00 H ATOM 243 HG22 THR A 13 11.670 5.630 16.283 1.00 0.00 H ATOM 244 H THR A 13 16.002 7.325 16.267 1.00 0.00 H ATOM 245 N GLN A 14 14.854 7.006 13.234 1.00 9.22 N ATOM 246 CA GLN A 14 14.566 7.233 11.822 1.00 9.56 C ATOM 247 C GLN A 14 15.664 6.893 10.814 1.00 8.88 C ATOM 248 O GLN A 14 15.363 6.421 9.715 1.00 8.72 O ATOM 249 CB GLN A 14 14.212 8.703 11.592 1.00 10.52 C ATOM 250 CG GLN A 14 12.831 9.136 12.017 1.00 10.36 C ATOM 251 CD GLN A 14 12.405 10.401 11.286 1.00 10.31 C ATOM 252 OE1 GLN A 14 11.366 10.426 10.643 1.00 10.02 O ATOM 253 NE2 GLN A 14 13.231 11.452 11.366 1.00 8.71 N ATOM 254 HA GLN A 14 13.749 6.537 11.633 1.00 0.00 H ATOM 255 HB2 GLN A 14 14.933 9.308 12.142 1.00 0.00 H ATOM 256 HB3 GLN A 14 14.309 8.905 10.525 1.00 0.00 H ATOM 257 HG2 GLN A 14 12.123 8.339 11.792 1.00 0.00 H ATOM 258 HG3 GLN A 14 12.832 9.328 13.090 1.00 0.00 H ATOM 259 HE22 GLN A 14 14.105 11.385 11.925 1.00 0.00 H ATOM 260 HE21 GLN A 14 12.998 12.335 10.869 1.00 0.00 H ATOM 261 H GLN A 14 15.189 7.797 13.820 1.00 0.00 H ATOM 262 N HIS A 15 16.922 7.130 11.185 1.00 7.85 N ATOM 263 CA HIS A 15 18.035 6.966 10.251 1.00 7.53 C ATOM 264 C HIS A 15 19.174 6.013 10.558 1.00 8.81 C ATOM 265 O HIS A 15 20.114 5.893 9.749 1.00 10.85 O ATOM 266 CB HIS A 15 18.654 8.339 9.991 1.00 8.74 C ATOM 267 CG HIS A 15 17.661 9.388 9.625 1.00 7.74 C ATOM 268 ND1 HIS A 15 16.880 9.309 8.495 1.00 8.95 N ATOM 269 CD2 HIS A 15 17.333 10.553 10.229 1.00 5.88 C ATOM 270 CE1 HIS A 15 16.116 10.383 8.417 1.00 8.96 C ATOM 271 NE2 HIS A 15 16.373 11.152 9.458 1.00 7.49 N ATOM 272 HA HIS A 15 17.539 6.486 9.408 1.00 0.00 H ATOM 273 HB2 HIS A 15 19.174 8.658 10.894 1.00 0.00 H ATOM 274 HB3 HIS A 15 19.370 8.244 9.175 1.00 0.00 H ATOM 275 HD2 HIS A 15 17.754 10.942 11.156 1.00 0.00 H ATOM 276 HE1 HIS A 15 15.396 10.598 7.627 1.00 0.00 H ATOM 277 H HIS A 15 17.116 7.438 12.159 1.00 0.00 H ATOM 278 N ILE A 16 19.130 5.359 11.712 1.00 8.19 N ATOM 279 CA ILE A 16 20.188 4.430 12.069 1.00 8.63 C ATOM 280 C ILE A 16 19.697 3.011 12.396 1.00 9.37 C ATOM 281 O ILE A 16 20.250 2.021 11.890 1.00 9.01 O ATOM 282 CB ILE A 16 21.030 4.960 13.274 1.00 8.76 C ATOM 283 CG1 ILE A 16 21.671 6.314 12.920 1.00 9.01 C ATOM 284 CG2 ILE A 16 22.097 3.922 13.652 1.00 7.97 C ATOM 285 CD1 ILE A 16 22.727 6.259 11.831 1.00 8.28 C ATOM 286 HA ILE A 16 20.806 4.363 11.173 1.00 0.00 H ATOM 287 HB ILE A 16 20.378 5.114 14.134 1.00 0.00 H ATOM 288 HG12 ILE A 16 20.880 6.987 12.590 1.00 0.00 H ATOM 289 HG13 ILE A 16 22.135 6.715 13.821 1.00 0.00 H ATOM 290 HD11 ILE A 16 23.538 5.602 12.146 1.00 0.00 H ATOM 291 HD12 ILE A 16 22.281 5.875 10.914 1.00 0.00 H ATOM 292 HD13 ILE A 16 23.118 7.261 11.654 1.00 0.00 H ATOM 293 HG21 ILE A 16 21.610 2.988 13.932 1.00 0.00 H ATOM 294 HG22 ILE A 16 22.753 3.750 12.799 1.00 0.00 H ATOM 295 HG23 ILE A 16 22.683 4.294 14.493 1.00 0.00 H ATOM 296 H ILE A 16 18.334 5.512 12.364 1.00 0.00 H ATOM 297 N ASN A 17 18.666 2.903 13.235 1.00 8.13 N ATOM 298 CA ASN A 17 18.148 1.582 13.610 1.00 10.51 C ATOM 299 C ASN A 17 17.128 0.998 12.633 1.00 9.54 C ATOM 300 O ASN A 17 15.926 0.978 12.912 1.00 11.98 O ATOM 301 CB ASN A 17 17.541 1.631 15.015 1.00 11.07 C ATOM 302 CG ASN A 17 18.581 1.900 16.077 1.00 13.79 C ATOM 303 OD1 ASN A 17 19.781 1.704 15.847 1.00 12.31 O ATOM 304 ND2 ASN A 17 18.136 2.360 17.246 1.00 14.79 N ATOM 305 HA ASN A 17 19.010 0.915 13.582 1.00 0.00 H ATOM 306 HB2 ASN A 17 16.793 2.423 15.047 1.00 0.00 H ATOM 307 HB3 ASN A 17 17.064 0.674 15.225 1.00 0.00 H ATOM 308 HD22 ASN A 17 17.117 2.509 17.392 1.00 0.00 H ATOM 309 HD21 ASN A 17 18.808 2.570 18.012 1.00 0.00 H ATOM 310 H ASN A 17 18.226 3.760 13.626 1.00 0.00 H ATOM 311 N MET A 18 17.600 0.531 11.481 1.00 8.64 N ATOM 312 CA MET A 18 16.687 -0.074 10.517 1.00 9.69 C ATOM 313 C MET A 18 16.371 -1.454 11.081 1.00 10.24 C ATOM 314 O MET A 18 17.156 -2.398 10.912 1.00 9.88 O ATOM 315 CB MET A 18 17.349 -0.184 9.151 1.00 9.45 C ATOM 316 CG MET A 18 16.328 -0.258 8.043 1.00 9.25 C ATOM 317 SD MET A 18 17.055 -0.336 6.425 1.00 10.10 S ATOM 318 CE MET A 18 15.602 -0.725 5.479 1.00 9.16 C ATOM 319 HA MET A 18 15.785 0.521 10.376 1.00 0.00 H ATOM 320 HB2 MET A 18 17.981 0.690 8.992 1.00 0.00 H ATOM 321 HB3 MET A 18 17.963 -1.084 9.127 1.00 0.00 H ATOM 322 HG2 MET A 18 15.694 0.627 8.096 1.00 0.00 H ATOM 323 HG3 MET A 18 15.718 -1.149 8.192 1.00 0.00 H ATOM 324 HE1 MET A 18 15.183 -1.668 5.830 1.00 0.00 H ATOM 325 HE2 MET A 18 14.866 0.069 5.603 1.00 0.00 H ATOM 326 HE3 MET A 18 15.869 -0.814 4.426 1.00 0.00 H ATOM 327 H MET A 18 18.616 0.597 11.268 1.00 0.00 H ATOM 328 N THR A 19 15.218 -1.566 11.744 1.00 8.51 N ATOM 329 CA THR A 19 14.841 -2.812 12.417 1.00 9.48 C ATOM 330 C THR A 19 14.704 -4.030 11.522 1.00 9.74 C ATOM 331 O THR A 19 14.694 -5.155 12.011 1.00 9.18 O ATOM 332 CB THR A 19 13.561 -2.642 13.278 1.00 6.92 C ATOM 333 OG1 THR A 19 12.456 -2.238 12.457 1.00 8.96 O ATOM 334 CG2 THR A 19 13.814 -1.617 14.393 1.00 6.59 C ATOM 335 HA THR A 19 15.697 -3.017 13.060 1.00 0.00 H ATOM 336 HB THR A 19 13.311 -3.599 13.735 1.00 0.00 H ATOM 337 HG1 THR A 19 12.669 -1.375 12.021 1.00 0.00 H ATOM 338 HG23 THR A 19 14.656 -1.945 15.002 1.00 0.00 H ATOM 339 HG21 THR A 19 14.041 -0.648 13.949 1.00 0.00 H ATOM 340 HG22 THR A 19 12.924 -1.533 15.017 1.00 0.00 H ATOM 341 H THR A 19 14.573 -0.751 11.784 1.00 0.00 H ATOM 342 N SER A 20 14.633 -3.796 10.216 1.00 9.56 N ATOM 343 CA SER A 20 14.536 -4.871 9.235 1.00 10.63 C ATOM 344 C SER A 20 15.192 -4.359 7.956 1.00 9.89 C ATOM 345 O SER A 20 15.100 -3.179 7.640 1.00 9.79 O ATOM 346 CB SER A 20 13.075 -5.227 8.966 1.00 9.00 C ATOM 347 OG SER A 20 12.935 -5.897 7.722 1.00 10.00 O ATOM 348 HA SER A 20 15.029 -5.771 9.601 1.00 0.00 H ATOM 349 HB2 SER A 20 12.483 -4.312 8.947 1.00 0.00 H ATOM 350 HB3 SER A 20 12.713 -5.876 9.763 1.00 0.00 H ATOM 351 HG SER A 20 11.981 -6.116 7.572 1.00 0.00 H ATOM 352 H SER A 20 14.647 -2.811 9.881 1.00 0.00 H ATOM 353 N GLN A 21 15.872 -5.237 7.232 1.00 9.85 N ATOM 354 CA GLN A 21 16.522 -4.821 6.005 1.00 9.71 C ATOM 355 C GLN A 21 15.488 -4.531 4.917 1.00 10.16 C ATOM 356 O GLN A 21 15.822 -4.056 3.837 1.00 9.47 O ATOM 357 CB GLN A 21 17.483 -5.906 5.544 1.00 9.58 C ATOM 358 CG GLN A 21 18.715 -6.022 6.420 1.00 8.30 C ATOM 359 CD GLN A 21 19.816 -6.819 5.756 1.00 8.54 C ATOM 360 OE1 GLN A 21 20.123 -6.616 4.582 1.00 7.84 O ATOM 361 NE2 GLN A 21 20.421 -7.732 6.506 1.00 8.89 N ATOM 362 HA GLN A 21 17.080 -3.904 6.195 1.00 0.00 H ATOM 363 HB2 GLN A 21 16.959 -6.861 5.554 1.00 0.00 H ATOM 364 HB3 GLN A 21 17.801 -5.679 4.526 1.00 0.00 H ATOM 365 HG2 GLN A 21 19.088 -5.021 6.636 1.00 0.00 H ATOM 366 HG3 GLN A 21 18.438 -6.515 7.352 1.00 0.00 H ATOM 367 HE22 GLN A 21 20.129 -7.870 7.494 1.00 0.00 H ATOM 368 HE21 GLN A 21 21.187 -8.310 6.105 1.00 0.00 H ATOM 369 H GLN A 21 15.939 -6.226 7.545 1.00 0.00 H ATOM 370 N GLN A 22 14.229 -4.820 5.218 1.00 9.83 N ATOM 371 CA GLN A 22 13.137 -4.587 4.284 1.00 11.18 C ATOM 372 C GLN A 22 12.469 -3.264 4.649 1.00 9.03 C ATOM 373 O GLN A 22 12.107 -3.072 5.798 1.00 8.71 O ATOM 374 CB GLN A 22 12.122 -5.714 4.405 1.00 14.79 C ATOM 375 CG GLN A 22 10.857 -5.454 3.646 1.00 23.54 C ATOM 376 CD GLN A 22 10.938 -6.004 2.253 1.00 27.76 C ATOM 377 OE1 GLN A 22 11.981 -6.521 1.842 1.00 30.63 O ATOM 378 NE2 GLN A 22 9.836 -5.905 1.508 1.00 31.61 N ATOM 379 HA GLN A 22 13.514 -4.551 3.262 1.00 0.00 H ATOM 380 HB2 GLN A 22 12.574 -6.630 4.023 1.00 0.00 H ATOM 381 HB3 GLN A 22 11.874 -5.845 5.458 1.00 0.00 H ATOM 382 HG2 GLN A 22 10.025 -5.927 4.168 1.00 0.00 H ATOM 383 HG3 GLN A 22 10.687 -4.379 3.595 1.00 0.00 H ATOM 384 HE22 GLN A 22 8.981 -5.460 1.900 1.00 0.00 H ATOM 385 HE21 GLN A 22 9.831 -6.272 0.535 1.00 0.00 H ATOM 386 H GLN A 22 14.015 -5.226 6.151 1.00 0.00 H ATOM 387 N CYS A 23 12.282 -2.365 3.684 1.00 6.58 N ATOM 388 CA CYS A 23 11.678 -1.065 3.992 1.00 8.18 C ATOM 389 C CYS A 23 10.262 -1.111 4.554 1.00 9.03 C ATOM 390 O CYS A 23 9.937 -0.368 5.483 1.00 9.62 O ATOM 391 CB CYS A 23 11.700 -0.148 2.764 1.00 6.31 C ATOM 392 SG CYS A 23 13.298 0.703 2.547 1.00 9.26 S ATOM 393 HA CYS A 23 12.304 -0.669 4.792 1.00 0.00 H ATOM 394 HB2 CYS A 23 10.918 0.603 2.875 1.00 0.00 H ATOM 395 HB3 CYS A 23 11.502 -0.749 1.877 1.00 0.00 H ATOM 396 H CYS A 23 12.566 -2.586 2.708 1.00 0.00 H ATOM 397 N THR A 24 9.414 -1.976 4.010 1.00 9.16 N ATOM 398 CA THR A 24 8.043 -2.044 4.512 1.00 11.32 C ATOM 399 C THR A 24 7.992 -2.304 6.021 1.00 11.49 C ATOM 400 O THR A 24 7.268 -1.614 6.734 1.00 11.34 O ATOM 401 CB THR A 24 7.230 -3.089 3.744 1.00 11.75 C ATOM 402 OG1 THR A 24 6.905 -2.554 2.455 1.00 12.93 O ATOM 403 CG2 THR A 24 5.934 -3.405 4.470 1.00 14.77 C ATOM 404 HA THR A 24 7.590 -1.067 4.343 1.00 0.00 H ATOM 405 HB THR A 24 7.820 -4.001 3.658 1.00 0.00 H ATOM 406 HG1 THR A 24 7.740 -2.347 1.965 1.00 0.00 H ATOM 407 HG23 THR A 24 6.161 -3.814 5.455 1.00 0.00 H ATOM 408 HG21 THR A 24 5.349 -2.492 4.580 1.00 0.00 H ATOM 409 HG22 THR A 24 5.365 -4.135 3.894 1.00 0.00 H ATOM 410 H THR A 24 9.722 -2.598 3.235 1.00 0.00 H ATOM 411 N ASN A 25 8.771 -3.271 6.509 1.00 11.38 N ATOM 412 CA ASN A 25 8.808 -3.579 7.948 1.00 12.12 C ATOM 413 C ASN A 25 9.517 -2.481 8.754 1.00 10.74 C ATOM 414 O ASN A 25 9.029 -2.062 9.796 1.00 11.63 O ATOM 415 CB ASN A 25 9.512 -4.912 8.195 1.00 15.37 C ATOM 416 CG ASN A 25 8.837 -6.072 7.480 1.00 21.57 C ATOM 417 OD1 ASN A 25 7.607 -6.148 7.401 1.00 24.26 O ATOM 418 ND2 ASN A 25 9.643 -6.985 6.953 1.00 23.05 N ATOM 419 HA ASN A 25 7.773 -3.639 8.284 1.00 0.00 H ATOM 420 HB2 ASN A 25 10.540 -4.835 7.842 1.00 0.00 H ATOM 421 HB3 ASN A 25 9.511 -5.114 9.266 1.00 0.00 H ATOM 422 HD22 ASN A 25 10.674 -6.882 7.043 1.00 0.00 H ATOM 423 HD21 ASN A 25 9.244 -7.803 6.450 1.00 0.00 H ATOM 424 H ASN A 25 9.366 -3.820 5.857 1.00 0.00 H ATOM 425 N ALA A 26 10.675 -2.031 8.281 1.00 9.49 N ATOM 426 CA ALA A 26 11.426 -0.977 8.960 1.00 8.19 C ATOM 427 C ALA A 26 10.584 0.292 9.116 1.00 8.69 C ATOM 428 O ALA A 26 10.615 0.944 10.158 1.00 9.10 O ATOM 429 CB ALA A 26 12.700 -0.651 8.178 1.00 8.35 C ATOM 430 HA ALA A 26 11.689 -1.342 9.953 1.00 0.00 H ATOM 431 HB1 ALA A 26 13.320 -1.544 8.108 1.00 0.00 H ATOM 432 HB2 ALA A 26 12.434 -0.313 7.177 1.00 0.00 H ATOM 433 HB3 ALA A 26 13.250 0.136 8.694 1.00 0.00 H ATOM 434 H ALA A 26 11.057 -2.440 7.404 1.00 0.00 H ATOM 435 N MET A 27 9.830 0.643 8.080 1.00 8.87 N ATOM 436 CA MET A 27 9.009 1.847 8.136 1.00 11.40 C ATOM 437 C MET A 27 7.833 1.776 9.111 1.00 12.13 C ATOM 438 O MET A 27 7.374 2.806 9.588 1.00 9.25 O ATOM 439 CB MET A 27 8.510 2.227 6.737 1.00 10.32 C ATOM 440 CG MET A 27 9.616 2.756 5.803 1.00 11.33 C ATOM 441 SD MET A 27 10.624 4.103 6.474 1.00 11.36 S ATOM 442 CE MET A 27 9.471 5.483 6.435 1.00 13.24 C ATOM 443 HA MET A 27 9.669 2.622 8.525 1.00 0.00 H ATOM 444 HB2 MET A 27 8.067 1.343 6.278 1.00 0.00 H ATOM 445 HB3 MET A 27 7.749 3.001 6.842 1.00 0.00 H ATOM 446 HG2 MET A 27 9.142 3.114 4.889 1.00 0.00 H ATOM 447 HG3 MET A 27 10.280 1.925 5.565 1.00 0.00 H ATOM 448 HE1 MET A 27 9.151 5.658 5.408 1.00 0.00 H ATOM 449 HE2 MET A 27 8.604 5.248 7.052 1.00 0.00 H ATOM 450 HE3 MET A 27 9.962 6.376 6.821 1.00 0.00 H ATOM 451 H MET A 27 9.825 0.055 7.222 1.00 0.00 H ATOM 452 N GLN A 28 7.351 0.576 9.421 1.00 12.57 N ATOM 453 CA GLN A 28 6.238 0.448 10.362 1.00 12.95 C ATOM 454 C GLN A 28 6.588 1.096 11.698 1.00 11.24 C ATOM 455 O GLN A 28 5.736 1.651 12.369 1.00 11.36 O ATOM 456 CB GLN A 28 5.902 -1.019 10.610 1.00 15.62 C ATOM 457 CG GLN A 28 5.463 -1.773 9.389 1.00 18.95 C ATOM 458 CD GLN A 28 4.977 -3.178 9.724 1.00 25.30 C ATOM 459 OE1 GLN A 28 5.766 -4.063 10.073 1.00 27.80 O ATOM 460 NE2 GLN A 28 3.671 -3.387 9.618 1.00 27.09 N ATOM 461 HA GLN A 28 5.377 0.950 9.920 1.00 0.00 H ATOM 462 HB2 GLN A 28 6.789 -1.508 11.012 1.00 0.00 H ATOM 463 HB3 GLN A 28 5.099 -1.065 11.346 1.00 0.00 H ATOM 464 HG2 GLN A 28 4.651 -1.225 8.911 1.00 0.00 H ATOM 465 HG3 GLN A 28 6.305 -1.847 8.700 1.00 0.00 H ATOM 466 HE22 GLN A 28 3.043 -2.613 9.321 1.00 0.00 H ATOM 467 HE21 GLN A 28 3.275 -4.325 9.832 1.00 0.00 H ATOM 468 H GLN A 28 7.767 -0.275 8.993 1.00 0.00 H ATOM 469 N VAL A 29 7.851 1.008 12.086 1.00 11.97 N ATOM 470 CA VAL A 29 8.289 1.598 13.339 1.00 11.05 C ATOM 471 C VAL A 29 8.129 3.129 13.317 1.00 9.44 C ATOM 472 O VAL A 29 7.542 3.714 14.220 1.00 7.72 O ATOM 473 CB VAL A 29 9.757 1.250 13.626 1.00 10.24 C ATOM 474 CG1 VAL A 29 10.214 1.986 14.870 1.00 12.31 C ATOM 475 CG2 VAL A 29 9.918 -0.265 13.793 1.00 8.78 C ATOM 476 HA VAL A 29 7.660 1.185 14.127 1.00 0.00 H ATOM 477 HB VAL A 29 10.378 1.562 12.786 1.00 0.00 H ATOM 478 HG11 VAL A 29 10.118 3.060 14.711 1.00 0.00 H ATOM 479 HG12 VAL A 29 9.596 1.686 15.716 1.00 0.00 H ATOM 480 HG13 VAL A 29 11.256 1.739 15.074 1.00 0.00 H ATOM 481 HG21 VAL A 29 9.301 -0.605 14.624 1.00 0.00 H ATOM 482 HG22 VAL A 29 9.604 -0.766 12.877 1.00 0.00 H ATOM 483 HG23 VAL A 29 10.963 -0.498 13.996 1.00 0.00 H ATOM 484 H VAL A 29 8.539 0.510 11.486 1.00 0.00 H ATOM 485 N ILE A 30 8.646 3.774 12.282 1.00 8.48 N ATOM 486 CA ILE A 30 8.545 5.230 12.174 1.00 10.60 C ATOM 487 C ILE A 30 7.084 5.654 12.034 1.00 10.09 C ATOM 488 O ILE A 30 6.612 6.565 12.722 1.00 8.91 O ATOM 489 CB ILE A 30 9.322 5.748 10.935 1.00 10.56 C ATOM 490 CG1 ILE A 30 10.827 5.466 11.103 1.00 9.53 C ATOM 491 CG2 ILE A 30 9.031 7.234 10.719 1.00 12.14 C ATOM 492 CD1 ILE A 30 11.659 5.526 9.762 1.00 8.14 C ATOM 493 HA ILE A 30 8.974 5.656 13.081 1.00 0.00 H ATOM 494 HB ILE A 30 8.989 5.219 10.042 1.00 0.00 H ATOM 495 HG12 ILE A 30 11.237 6.205 11.792 1.00 0.00 H ATOM 496 HG13 ILE A 30 10.941 4.470 11.530 1.00 0.00 H ATOM 497 HD11 ILE A 30 11.273 4.784 9.063 1.00 0.00 H ATOM 498 HD12 ILE A 30 11.569 6.520 9.324 1.00 0.00 H ATOM 499 HD13 ILE A 30 12.707 5.315 9.976 1.00 0.00 H ATOM 500 HG21 ILE A 30 7.962 7.374 10.557 1.00 0.00 H ATOM 501 HG22 ILE A 30 9.343 7.796 11.599 1.00 0.00 H ATOM 502 HG23 ILE A 30 9.581 7.588 9.847 1.00 0.00 H ATOM 503 H ILE A 30 9.131 3.238 11.535 1.00 0.00 H ATOM 504 N ASN A 31 6.373 4.966 11.142 1.00 10.21 N ATOM 505 CA ASN A 31 4.971 5.257 10.862 1.00 10.47 C ATOM 506 C ASN A 31 4.065 5.072 12.072 1.00 10.80 C ATOM 507 O ASN A 31 3.167 5.882 12.300 1.00 10.96 O ATOM 508 CB ASN A 31 4.467 4.374 9.713 1.00 10.19 C ATOM 509 CG ASN A 31 5.177 4.656 8.406 1.00 9.66 C ATOM 510 OD1 ASN A 31 5.827 5.694 8.244 1.00 10.27 O ATOM 511 ND2 ASN A 31 5.055 3.728 7.459 1.00 9.05 N ATOM 512 HA ASN A 31 4.927 6.310 10.583 1.00 0.00 H ATOM 513 HB2 ASN A 31 4.627 3.329 9.979 1.00 0.00 H ATOM 514 HB3 ASN A 31 3.401 4.553 9.577 1.00 0.00 H ATOM 515 HD22 ASN A 31 4.497 2.869 7.641 1.00 0.00 H ATOM 516 HD21 ASN A 31 5.518 3.862 6.537 1.00 0.00 H ATOM 517 H ASN A 31 6.835 4.191 10.625 1.00 0.00 H ATOM 518 N ASN A 32 4.289 4.009 12.840 1.00 11.18 N ATOM 519 CA ASN A 32 3.472 3.757 14.023 1.00 12.29 C ATOM 520 C ASN A 32 3.765 4.811 15.091 1.00 13.10 C ATOM 521 O ASN A 32 2.934 5.078 15.935 1.00 12.19 O ATOM 522 CB ASN A 32 3.742 2.355 14.575 1.00 14.27 C ATOM 523 CG ASN A 32 3.061 1.262 13.758 1.00 19.68 C ATOM 524 OD1 ASN A 32 2.142 1.533 12.976 1.00 20.83 O ATOM 525 ND2 ASN A 32 3.514 0.013 13.931 1.00 22.31 N ATOM 526 HA ASN A 32 2.421 3.818 13.741 1.00 0.00 H ATOM 527 HB2 ASN A 32 4.817 2.178 14.568 1.00 0.00 H ATOM 528 HB3 ASN A 32 3.374 2.306 15.600 1.00 0.00 H ATOM 529 HD22 ASN A 32 4.289 -0.171 14.599 1.00 0.00 H ATOM 530 HD21 ASN A 32 3.090 -0.772 13.397 1.00 0.00 H ATOM 531 H ASN A 32 5.055 3.350 12.595 1.00 0.00 H ATOM 532 N TYR A 33 4.948 5.412 15.044 1.00 11.88 N ATOM 533 CA TYR A 33 5.311 6.438 16.010 1.00 13.16 C ATOM 534 C TYR A 33 4.791 7.806 15.571 1.00 14.18 C ATOM 535 O TYR A 33 4.299 8.586 16.386 1.00 14.77 O ATOM 536 CB TYR A 33 6.827 6.503 16.180 1.00 10.66 C ATOM 537 CG TYR A 33 7.357 5.560 17.238 1.00 11.98 C ATOM 538 CD1 TYR A 33 6.717 5.447 18.480 1.00 12.57 C ATOM 539 CD2 TYR A 33 8.497 4.776 17.004 1.00 10.22 C ATOM 540 CE1 TYR A 33 7.196 4.579 19.465 1.00 11.43 C ATOM 541 CE2 TYR A 33 8.984 3.904 17.979 1.00 7.61 C ATOM 542 CZ TYR A 33 8.330 3.812 19.207 1.00 12.07 C ATOM 543 OH TYR A 33 8.798 2.965 20.185 1.00 11.52 O ATOM 544 HA TYR A 33 4.853 6.174 16.963 1.00 0.00 H ATOM 545 HB3 TYR A 33 7.100 7.521 16.457 1.00 0.00 H ATOM 546 HB2 TYR A 33 7.292 6.250 15.227 1.00 0.00 H ATOM 547 HD2 TYR A 33 9.011 4.849 16.045 1.00 0.00 H ATOM 548 HE2 TYR A 33 9.869 3.299 17.782 1.00 0.00 H ATOM 549 HE1 TYR A 33 6.687 4.503 20.426 1.00 0.00 H ATOM 550 HD1 TYR A 33 5.830 6.047 18.681 1.00 0.00 H ATOM 551 HH TYR A 33 8.215 3.029 20.982 1.00 0.00 H ATOM 552 H TYR A 33 5.627 5.145 14.303 1.00 0.00 H ATOM 553 N GLN A 34 4.895 8.077 14.277 1.00 14.00 N ATOM 554 CA GLN A 34 4.459 9.342 13.696 1.00 16.23 C ATOM 555 C GLN A 34 2.965 9.416 13.417 1.00 16.42 C ATOM 556 O GLN A 34 2.431 10.508 13.214 1.00 16.47 O ATOM 557 CB GLN A 34 5.188 9.587 12.378 1.00 16.79 C ATOM 558 CG GLN A 34 6.603 10.048 12.503 1.00 17.98 C ATOM 559 CD GLN A 34 7.097 10.651 11.207 1.00 20.12 C ATOM 560 OE1 GLN A 34 6.708 10.217 10.119 1.00 21.36 O ATOM 561 NE2 GLN A 34 7.946 11.663 11.311 1.00 19.23 N ATOM 562 HA GLN A 34 4.695 10.100 14.443 1.00 0.00 H ATOM 563 HB2 GLN A 34 5.187 8.654 11.815 1.00 0.00 H ATOM 564 HB3 GLN A 34 4.635 10.345 11.824 1.00 0.00 H ATOM 565 HG2 GLN A 34 6.665 10.798 13.291 1.00 0.00 H ATOM 566 HG3 GLN A 34 7.233 9.197 12.763 1.00 0.00 H ATOM 567 HE22 GLN A 34 8.246 11.995 12.250 1.00 0.00 H ATOM 568 HE21 GLN A 34 8.312 12.125 10.454 1.00 0.00 H ATOM 569 H GLN A 34 5.305 7.356 13.649 1.00 0.00 H ATOM 570 N ARG A 35 2.310 8.258 13.380 1.00 16.31 N ATOM 571 CA ARG A 35 0.871 8.166 13.108 1.00 17.85 C ATOM 572 C ARG A 35 0.537 8.615 11.685 1.00 20.22 C ATOM 573 O ARG A 35 -0.481 9.264 11.445 1.00 20.87 O ATOM 574 CB ARG A 35 0.075 9.001 14.125 1.00 17.34 C ATOM 575 CG ARG A 35 0.305 8.589 15.569 1.00 16.10 C ATOM 576 CD ARG A 35 0.398 7.066 15.706 1.00 15.99 C ATOM 577 NE ARG A 35 -0.875 6.402 15.432 1.00 14.84 N ATOM 578 CZ ARG A 35 -1.015 5.089 15.259 1.00 13.63 C ATOM 579 NH1 ARG A 35 0.033 4.288 15.326 1.00 10.93 N ATOM 580 NH2 ARG A 35 -2.209 4.574 15.016 1.00 13.59 N ATOM 581 HA ARG A 35 0.586 7.118 13.206 1.00 0.00 H ATOM 582 HB2 ARG A 35 0.365 10.046 14.015 1.00 0.00 H ATOM 583 HB3 ARG A 35 -0.987 8.895 13.902 1.00 0.00 H ATOM 584 HG2 ARG A 35 1.235 9.035 15.922 1.00 0.00 H ATOM 585 HG3 ARG A 35 -0.524 8.950 16.178 1.00 0.00 H ATOM 586 HD2 ARG A 35 0.707 6.824 16.723 1.00 0.00 H ATOM 587 HD3 ARG A 35 1.144 6.696 15.003 1.00 0.00 H ATOM 588 HE ARG A 35 -1.728 6.994 15.368 1.00 0.00 H ATOM 589 HH12 ARG A 35 -0.086 3.264 15.190 1.00 0.00 H ATOM 590 HH11 ARG A 35 0.977 4.681 15.515 1.00 0.00 H ATOM 591 HH22 ARG A 35 -2.315 3.548 14.881 1.00 0.00 H ATOM 592 HH21 ARG A 35 -3.041 5.195 14.960 1.00 0.00 H ATOM 593 H ARG A 35 2.841 7.380 13.551 1.00 0.00 H ATOM 594 N ARG A 36 1.408 8.265 10.745 1.00 21.04 N ATOM 595 CA ARG A 36 1.221 8.615 9.342 1.00 21.61 C ATOM 596 C ARG A 36 2.321 7.922 8.556 1.00 22.17 C ATOM 597 O ARG A 36 3.399 7.680 9.088 1.00 22.57 O ATOM 598 CB ARG A 36 1.315 10.135 9.154 1.00 23.37 C ATOM 599 CG ARG A 36 2.661 10.628 8.661 1.00 26.74 C ATOM 600 CD ARG A 36 2.879 12.095 8.984 1.00 32.59 C ATOM 601 NE ARG A 36 4.305 12.390 9.034 1.00 36.15 N ATOM 602 CZ ARG A 36 5.079 12.478 7.960 1.00 37.84 C ATOM 603 NH1 ARG A 36 6.367 12.746 8.091 1.00 39.14 N ATOM 604 NH2 ARG A 36 4.563 12.307 6.750 1.00 40.20 N ATOM 605 HA ARG A 36 0.238 8.298 8.995 1.00 0.00 H ATOM 606 HB2 ARG A 36 0.557 10.436 8.431 1.00 0.00 H ATOM 607 HB3 ARG A 36 1.109 10.610 10.113 1.00 0.00 H ATOM 608 HG2 ARG A 36 3.447 10.041 9.136 1.00 0.00 H ATOM 609 HG3 ARG A 36 2.712 10.493 7.581 1.00 0.00 H ATOM 610 HD2 ARG A 36 2.429 12.322 9.951 1.00 0.00 H ATOM 611 HD3 ARG A 36 2.411 12.708 8.214 1.00 0.00 H ATOM 612 HE ARG A 36 4.742 12.540 9.966 1.00 0.00 H ATOM 613 HH12 ARG A 36 6.972 12.815 7.248 1.00 0.00 H ATOM 614 HH11 ARG A 36 6.775 12.888 9.037 1.00 0.00 H ATOM 615 HH22 ARG A 36 5.172 12.377 5.910 1.00 0.00 H ATOM 616 HH21 ARG A 36 3.549 12.103 6.641 1.00 0.00 H ATOM 617 H ARG A 36 2.252 7.723 11.019 1.00 0.00 H ATOM 618 N CYS A 37 2.057 7.600 7.294 1.00 22.48 N ATOM 619 CA CYS A 37 3.065 6.935 6.482 1.00 20.78 C ATOM 620 C CYS A 37 3.995 7.919 5.812 1.00 20.60 C ATOM 621 O CYS A 37 3.628 8.606 4.857 1.00 20.54 O ATOM 622 CB CYS A 37 2.397 6.030 5.456 1.00 20.06 C ATOM 623 SG CYS A 37 1.509 4.680 6.288 1.00 20.57 S ATOM 624 HA CYS A 37 3.677 6.325 7.146 1.00 0.00 H ATOM 625 HB2 CYS A 37 3.157 5.609 4.798 1.00 0.00 H ATOM 626 HB3 CYS A 37 1.691 6.615 4.866 1.00 0.00 H ATOM 627 H CYS A 37 1.127 7.824 6.885 1.00 0.00 H ATOM 628 N LYS A 38 5.208 7.997 6.346 1.00 18.74 N ATOM 629 CA LYS A 38 6.217 8.880 5.821 1.00 18.21 C ATOM 630 C LYS A 38 6.458 8.502 4.369 1.00 19.20 C ATOM 631 O LYS A 38 6.634 7.325 4.047 1.00 18.42 O ATOM 632 CB LYS A 38 7.489 8.726 6.631 1.00 15.77 C ATOM 633 CG LYS A 38 8.262 9.989 6.737 1.00 14.85 C ATOM 634 CD LYS A 38 9.619 9.725 7.307 1.00 11.68 C ATOM 635 CE LYS A 38 10.468 10.970 7.216 1.00 13.07 C ATOM 636 NZ LYS A 38 11.681 10.826 8.033 1.00 13.28 N ATOM 637 HA LYS A 38 5.896 9.920 5.882 1.00 0.00 H ATOM 638 HB2 LYS A 38 7.224 8.394 7.635 1.00 0.00 H ATOM 639 HB3 LYS A 38 8.116 7.973 6.154 1.00 0.00 H ATOM 640 HG2 LYS A 38 8.368 10.429 5.746 1.00 0.00 H ATOM 641 HG3 LYS A 38 7.729 10.683 7.386 1.00 0.00 H ATOM 642 HD2 LYS A 38 9.521 9.430 8.352 1.00 0.00 H ATOM 643 HD3 LYS A 38 10.096 8.921 6.747 1.00 0.00 H ATOM 644 HE2 LYS A 38 9.893 11.824 7.574 1.00 0.00 H ATOM 645 HE3 LYS A 38 10.752 11.136 6.177 1.00 0.00 H ATOM 646 HZ1 LYS A 38 11.412 10.671 9.026 1.00 0.00 H ATOM 647 HZ2 LYS A 38 12.233 10.014 7.691 1.00 0.00 H ATOM 648 HZ3 LYS A 38 12.253 11.692 7.958 1.00 0.00 H ATOM 649 H LYS A 38 5.436 7.402 7.168 1.00 0.00 H ATOM 650 N ASN A 39 6.479 9.507 3.502 1.00 19.54 N ATOM 651 CA ASN A 39 6.648 9.286 2.071 1.00 20.80 C ATOM 652 C ASN A 39 8.029 8.852 1.624 1.00 18.94 C ATOM 653 O ASN A 39 8.170 8.098 0.663 1.00 19.16 O ATOM 654 CB ASN A 39 6.265 10.549 1.304 1.00 22.62 C ATOM 655 CG ASN A 39 6.038 10.280 -0.165 1.00 24.75 C ATOM 656 OD1 ASN A 39 6.582 10.971 -1.025 1.00 26.04 O ATOM 657 ND2 ASN A 39 5.229 9.264 -0.463 1.00 24.65 N ATOM 658 HA ASN A 39 5.988 8.447 1.848 1.00 0.00 H ATOM 659 HB2 ASN A 39 5.349 10.955 1.732 1.00 0.00 H ATOM 660 HB3 ASN A 39 7.068 11.279 1.407 1.00 0.00 H ATOM 661 HD22 ASN A 39 4.791 8.707 0.299 1.00 0.00 H ATOM 662 HD21 ASN A 39 5.035 9.028 -1.457 1.00 0.00 H ATOM 663 H ASN A 39 6.372 10.480 3.854 1.00 0.00 H ATOM 664 N GLN A 40 9.044 9.347 2.315 1.00 18.40 N ATOM 665 CA GLN A 40 10.424 9.031 1.981 1.00 19.06 C ATOM 666 C GLN A 40 11.300 9.056 3.219 1.00 16.53 C ATOM 667 O GLN A 40 11.201 9.973 4.040 1.00 16.90 O ATOM 668 CB GLN A 40 10.963 10.047 0.988 1.00 20.53 C ATOM 669 CG GLN A 40 11.489 9.414 -0.262 1.00 29.32 C ATOM 670 CD GLN A 40 11.760 10.432 -1.327 1.00 31.12 C ATOM 671 OE1 GLN A 40 12.914 10.784 -1.581 1.00 36.15 O ATOM 672 NE2 GLN A 40 10.698 10.923 -1.965 1.00 33.56 N ATOM 673 HA GLN A 40 10.442 8.032 1.546 1.00 0.00 H ATOM 674 HB2 GLN A 40 10.159 10.733 0.720 1.00 0.00 H ATOM 675 HB3 GLN A 40 11.771 10.604 1.463 1.00 0.00 H ATOM 676 HG2 GLN A 40 12.416 8.890 -0.030 1.00 0.00 H ATOM 677 HG3 GLN A 40 10.753 8.701 -0.634 1.00 0.00 H ATOM 678 HE22 GLN A 40 9.743 10.595 -1.715 1.00 0.00 H ATOM 679 HE21 GLN A 40 10.824 11.635 -2.713 1.00 0.00 H ATOM 680 H GLN A 40 8.849 9.979 3.118 1.00 0.00 H ATOM 681 N ASN A 41 12.164 8.058 3.348 1.00 12.73 N ATOM 682 CA ASN A 41 13.044 8.004 4.498 1.00 10.89 C ATOM 683 C ASN A 41 14.304 7.190 4.249 1.00 10.38 C ATOM 684 O ASN A 41 14.249 6.062 3.738 1.00 11.41 O ATOM 685 CB ASN A 41 12.311 7.435 5.703 1.00 10.07 C ATOM 686 CG ASN A 41 13.147 7.501 6.945 1.00 10.63 C ATOM 687 OD1 ASN A 41 13.305 8.564 7.534 1.00 10.56 O ATOM 688 ND2 ASN A 41 13.709 6.364 7.346 1.00 12.37 N ATOM 689 HA ASN A 41 13.351 9.032 4.692 1.00 0.00 H ATOM 690 HB2 ASN A 41 11.396 8.006 5.862 1.00 0.00 H ATOM 691 HB3 ASN A 41 12.057 6.394 5.503 1.00 0.00 H ATOM 692 HD22 ASN A 41 13.545 5.486 6.812 1.00 0.00 H ATOM 693 HD21 ASN A 41 14.312 6.353 8.193 1.00 0.00 H ATOM 694 H ASN A 41 12.210 7.314 2.623 1.00 0.00 H ATOM 695 N THR A 42 15.440 7.770 4.621 1.00 9.99 N ATOM 696 CA THR A 42 16.744 7.130 4.445 1.00 10.82 C ATOM 697 C THR A 42 17.325 6.527 5.720 1.00 10.10 C ATOM 698 O THR A 42 17.315 7.153 6.779 1.00 9.34 O ATOM 699 CB THR A 42 17.791 8.138 3.879 1.00 11.81 C ATOM 700 OG1 THR A 42 17.277 8.735 2.686 1.00 12.92 O ATOM 701 CG2 THR A 42 19.105 7.430 3.548 1.00 10.46 C ATOM 702 HA THR A 42 16.554 6.317 3.744 1.00 0.00 H ATOM 703 HB THR A 42 17.980 8.899 4.636 1.00 0.00 H ATOM 704 HG1 THR A 42 17.100 8.029 2.015 1.00 0.00 H ATOM 705 HG23 THR A 42 19.506 6.971 4.451 1.00 0.00 H ATOM 706 HG21 THR A 42 18.923 6.661 2.798 1.00 0.00 H ATOM 707 HG22 THR A 42 19.820 8.156 3.160 1.00 0.00 H ATOM 708 H THR A 42 15.401 8.715 5.054 1.00 0.00 H ATOM 709 N PHE A 43 17.817 5.298 5.608 1.00 9.10 N ATOM 710 CA PHE A 43 18.469 4.612 6.715 1.00 10.41 C ATOM 711 C PHE A 43 19.947 4.522 6.310 1.00 10.19 C ATOM 712 O PHE A 43 20.274 3.965 5.256 1.00 11.91 O ATOM 713 CB PHE A 43 17.933 3.175 6.900 1.00 8.87 C ATOM 714 CG PHE A 43 16.574 3.098 7.548 1.00 7.98 C ATOM 715 CD1 PHE A 43 16.437 3.204 8.926 1.00 8.20 C ATOM 716 CD2 PHE A 43 15.434 2.907 6.774 1.00 8.73 C ATOM 717 CE1 PHE A 43 15.175 3.124 9.533 1.00 9.67 C ATOM 718 CE2 PHE A 43 14.160 2.826 7.372 1.00 8.52 C ATOM 719 CZ PHE A 43 14.037 2.936 8.751 1.00 8.19 C ATOM 720 HA PHE A 43 18.295 5.147 7.649 1.00 0.00 H ATOM 721 HB2 PHE A 43 17.871 2.705 5.919 1.00 0.00 H ATOM 722 HB3 PHE A 43 18.639 2.624 7.521 1.00 0.00 H ATOM 723 HD2 PHE A 43 15.527 2.819 5.692 1.00 0.00 H ATOM 724 HE2 PHE A 43 13.274 2.678 6.754 1.00 0.00 H ATOM 725 HZ PHE A 43 13.055 2.876 9.220 1.00 0.00 H ATOM 726 HE1 PHE A 43 15.084 3.209 10.616 1.00 0.00 H ATOM 727 HD1 PHE A 43 17.322 3.351 9.544 1.00 0.00 H ATOM 728 H PHE A 43 17.733 4.807 4.695 1.00 0.00 H ATOM 729 N LEU A 44 20.834 5.079 7.129 1.00 10.07 N ATOM 730 CA LEU A 44 22.269 5.009 6.850 1.00 10.34 C ATOM 731 C LEU A 44 22.827 3.714 7.452 1.00 9.69 C ATOM 732 O LEU A 44 22.581 3.427 8.616 1.00 9.75 O ATOM 733 CB LEU A 44 22.987 6.194 7.487 1.00 8.92 C ATOM 734 CG LEU A 44 22.425 7.565 7.135 1.00 5.95 C ATOM 735 CD1 LEU A 44 23.134 8.623 7.967 1.00 8.39 C ATOM 736 CD2 LEU A 44 22.613 7.813 5.650 1.00 9.01 C ATOM 737 HA LEU A 44 22.426 5.030 5.772 1.00 0.00 H ATOM 738 HB2 LEU A 44 22.935 6.077 8.569 1.00 0.00 H ATOM 739 HB3 LEU A 44 24.029 6.166 7.170 1.00 0.00 H ATOM 740 HG LEU A 44 21.359 7.611 7.358 1.00 0.00 H ATOM 741 HD21 LEU A 44 23.675 7.779 5.409 1.00 0.00 H ATOM 742 HD22 LEU A 44 22.086 7.044 5.085 1.00 0.00 H ATOM 743 HD23 LEU A 44 22.212 8.794 5.393 1.00 0.00 H ATOM 744 HD11 LEU A 44 22.971 8.420 9.026 1.00 0.00 H ATOM 745 HD12 LEU A 44 24.202 8.598 7.751 1.00 0.00 H ATOM 746 HD13 LEU A 44 22.735 9.606 7.718 1.00 0.00 H ATOM 747 H LEU A 44 20.503 5.573 7.982 1.00 0.00 H ATOM 748 N LEU A 45 23.562 2.931 6.667 1.00 9.23 N ATOM 749 CA LEU A 45 24.138 1.707 7.201 1.00 10.56 C ATOM 750 C LEU A 45 25.473 2.069 7.844 1.00 10.22 C ATOM 751 O LEU A 45 26.552 1.828 7.297 1.00 9.18 O ATOM 752 CB LEU A 45 24.303 0.665 6.089 1.00 12.01 C ATOM 753 CG LEU A 45 22.970 0.337 5.406 1.00 12.21 C ATOM 754 CD1 LEU A 45 23.155 -0.775 4.405 1.00 13.79 C ATOM 755 CD2 LEU A 45 21.958 -0.069 6.459 1.00 14.06 C ATOM 756 HA LEU A 45 23.483 1.262 7.950 1.00 0.00 H ATOM 757 HB2 LEU A 45 24.995 1.054 5.342 1.00 0.00 H ATOM 758 HB3 LEU A 45 24.712 -0.249 6.520 1.00 0.00 H ATOM 759 HG LEU A 45 22.609 1.218 4.876 1.00 0.00 H ATOM 760 HD21 LEU A 45 22.323 -0.947 6.992 1.00 0.00 H ATOM 761 HD22 LEU A 45 21.818 0.752 7.162 1.00 0.00 H ATOM 762 HD23 LEU A 45 21.009 -0.303 5.977 1.00 0.00 H ATOM 763 HD11 LEU A 45 23.876 -0.465 3.649 1.00 0.00 H ATOM 764 HD12 LEU A 45 23.522 -1.665 4.916 1.00 0.00 H ATOM 765 HD13 LEU A 45 22.200 -0.996 3.929 1.00 0.00 H ATOM 766 H LEU A 45 23.724 3.193 5.674 1.00 0.00 H ATOM 767 N THR A 46 25.366 2.677 9.017 1.00 10.66 N ATOM 768 CA THR A 46 26.512 3.138 9.784 1.00 11.10 C ATOM 769 C THR A 46 26.114 3.128 11.256 1.00 10.83 C ATOM 770 O THR A 46 24.953 2.876 11.588 1.00 11.89 O ATOM 771 CB THR A 46 26.913 4.576 9.337 1.00 9.64 C ATOM 772 OG1 THR A 46 28.230 4.880 9.810 1.00 10.48 O ATOM 773 CG2 THR A 46 25.915 5.605 9.855 1.00 4.68 C ATOM 774 HA THR A 46 27.371 2.488 9.620 1.00 0.00 H ATOM 775 HB THR A 46 26.904 4.616 8.248 1.00 0.00 H ATOM 776 HG1 THR A 46 28.479 5.794 9.523 1.00 0.00 H ATOM 777 HG23 THR A 46 24.919 5.360 9.487 1.00 0.00 H ATOM 778 HG21 THR A 46 25.914 5.592 10.945 1.00 0.00 H ATOM 779 HG22 THR A 46 26.201 6.596 9.502 1.00 0.00 H ATOM 780 H THR A 46 24.415 2.832 9.408 1.00 0.00 H ATOM 781 N THR A 47 27.076 3.381 12.135 1.00 11.46 N ATOM 782 CA THR A 47 26.815 3.391 13.570 1.00 10.59 C ATOM 783 C THR A 47 26.512 4.781 14.113 1.00 10.72 C ATOM 784 O THR A 47 26.905 5.798 13.531 1.00 8.88 O ATOM 785 CB THR A 47 28.014 2.836 14.366 1.00 10.63 C ATOM 786 OG1 THR A 47 29.052 3.823 14.422 1.00 10.67 O ATOM 787 CG2 THR A 47 28.540 1.575 13.720 1.00 12.77 C ATOM 788 HA THR A 47 25.937 2.758 13.699 1.00 0.00 H ATOM 789 HB THR A 47 27.684 2.597 15.377 1.00 0.00 H ATOM 790 HG1 THR A 47 28.708 4.637 14.869 1.00 0.00 H ATOM 791 HG23 THR A 47 27.746 0.830 13.681 1.00 0.00 H ATOM 792 HG21 THR A 47 28.879 1.800 12.709 1.00 0.00 H ATOM 793 HG22 THR A 47 29.374 1.189 14.306 1.00 0.00 H ATOM 794 H THR A 47 28.038 3.577 11.792 1.00 0.00 H ATOM 795 N PHE A 48 25.801 4.812 15.233 1.00 10.13 N ATOM 796 CA PHE A 48 25.466 6.068 15.871 1.00 10.18 C ATOM 797 C PHE A 48 26.751 6.806 16.233 1.00 9.50 C ATOM 798 O PHE A 48 26.849 8.022 16.066 1.00 10.07 O ATOM 799 CB PHE A 48 24.643 5.832 17.144 1.00 9.85 C ATOM 800 CG PHE A 48 24.110 7.102 17.751 1.00 9.23 C ATOM 801 CD1 PHE A 48 22.919 7.659 17.290 1.00 11.47 C ATOM 802 CD2 PHE A 48 24.823 7.768 18.743 1.00 11.17 C ATOM 803 CE1 PHE A 48 22.445 8.867 17.807 1.00 12.08 C ATOM 804 CE2 PHE A 48 24.361 8.980 19.274 1.00 10.24 C ATOM 805 CZ PHE A 48 23.174 9.530 18.807 1.00 12.26 C ATOM 806 HA PHE A 48 24.871 6.663 15.178 1.00 0.00 H ATOM 807 HB2 PHE A 48 23.801 5.186 16.897 1.00 0.00 H ATOM 808 HB3 PHE A 48 25.277 5.336 17.879 1.00 0.00 H ATOM 809 HD2 PHE A 48 25.755 7.341 19.113 1.00 0.00 H ATOM 810 HE2 PHE A 48 24.931 9.489 20.051 1.00 0.00 H ATOM 811 HZ PHE A 48 22.810 10.473 19.215 1.00 0.00 H ATOM 812 HE1 PHE A 48 21.513 9.293 17.436 1.00 0.00 H ATOM 813 HD1 PHE A 48 22.349 7.145 16.516 1.00 0.00 H ATOM 814 H PHE A 48 25.479 3.920 15.659 1.00 0.00 H ATOM 815 N ALA A 49 27.738 6.065 16.728 1.00 9.25 N ATOM 816 CA ALA A 49 29.003 6.674 17.124 1.00 9.90 C ATOM 817 C ALA A 49 29.708 7.287 15.912 1.00 10.16 C ATOM 818 O ALA A 49 30.330 8.348 16.025 1.00 10.84 O ATOM 819 CB ALA A 49 29.890 5.641 17.799 1.00 10.52 C ATOM 820 HA ALA A 49 28.799 7.474 17.835 1.00 0.00 H ATOM 821 HB1 ALA A 49 29.386 5.254 18.684 1.00 0.00 H ATOM 822 HB2 ALA A 49 30.087 4.824 17.105 1.00 0.00 H ATOM 823 HB3 ALA A 49 30.831 6.107 18.090 1.00 0.00 H ATOM 824 H ALA A 49 27.606 5.039 16.834 1.00 0.00 H ATOM 825 N ASN A 50 29.614 6.618 14.760 1.00 9.59 N ATOM 826 CA ASN A 50 30.209 7.114 13.519 1.00 8.96 C ATOM 827 C ASN A 50 29.616 8.481 13.151 1.00 8.00 C ATOM 828 O ASN A 50 30.345 9.415 12.815 1.00 7.51 O ATOM 829 CB ASN A 50 29.941 6.141 12.369 1.00 10.51 C ATOM 830 CG ASN A 50 30.900 4.975 12.366 1.00 11.86 C ATOM 831 OD1 ASN A 50 31.760 4.869 13.242 1.00 13.02 O ATOM 832 ND2 ASN A 50 30.761 4.087 11.383 1.00 11.59 N ATOM 833 HA ASN A 50 31.283 7.208 13.678 1.00 0.00 H ATOM 834 HB2 ASN A 50 28.925 5.758 12.463 1.00 0.00 H ATOM 835 HB3 ASN A 50 30.040 6.678 11.426 1.00 0.00 H ATOM 836 HD22 ASN A 50 30.020 4.218 10.665 1.00 0.00 H ATOM 837 HD21 ASN A 50 31.393 3.263 11.333 1.00 0.00 H ATOM 838 H ASN A 50 29.100 5.714 14.745 1.00 0.00 H ATOM 839 N VAL A 51 28.292 8.585 13.202 1.00 8.95 N ATOM 840 CA VAL A 51 27.622 9.840 12.868 1.00 8.65 C ATOM 841 C VAL A 51 27.982 10.935 13.873 1.00 8.45 C ATOM 842 O VAL A 51 28.218 12.090 13.493 1.00 7.56 O ATOM 843 CB VAL A 51 26.088 9.656 12.797 1.00 7.88 C ATOM 844 CG1 VAL A 51 25.431 10.929 12.257 1.00 7.16 C ATOM 845 CG2 VAL A 51 25.760 8.476 11.875 1.00 9.24 C ATOM 846 HA VAL A 51 27.972 10.147 11.882 1.00 0.00 H ATOM 847 HB VAL A 51 25.704 9.457 13.797 1.00 0.00 H ATOM 848 HG11 VAL A 51 25.662 11.764 12.918 1.00 0.00 H ATOM 849 HG12 VAL A 51 25.814 11.138 11.258 1.00 0.00 H ATOM 850 HG13 VAL A 51 24.351 10.788 12.211 1.00 0.00 H ATOM 851 HG21 VAL A 51 26.150 8.677 10.877 1.00 0.00 H ATOM 852 HG22 VAL A 51 26.218 7.569 12.270 1.00 0.00 H ATOM 853 HG23 VAL A 51 24.679 8.346 11.824 1.00 0.00 H ATOM 854 H VAL A 51 27.724 7.761 13.484 1.00 0.00 H ATOM 855 N VAL A 52 28.039 10.577 15.151 1.00 7.51 N ATOM 856 CA VAL A 52 28.409 11.554 16.179 1.00 8.86 C ATOM 857 C VAL A 52 29.766 12.128 15.806 1.00 8.65 C ATOM 858 O VAL A 52 29.988 13.340 15.876 1.00 9.53 O ATOM 859 CB VAL A 52 28.466 10.899 17.573 1.00 7.83 C ATOM 860 CG1 VAL A 52 29.222 11.790 18.553 1.00 6.68 C ATOM 861 CG2 VAL A 52 27.047 10.650 18.056 1.00 4.90 C ATOM 862 HA VAL A 52 27.659 12.344 16.226 1.00 0.00 H ATOM 863 HB VAL A 52 28.999 9.950 17.510 1.00 0.00 H ATOM 864 HG11 VAL A 52 30.239 11.944 18.192 1.00 0.00 H ATOM 865 HG12 VAL A 52 28.715 12.751 18.634 1.00 0.00 H ATOM 866 HG13 VAL A 52 29.251 11.310 19.531 1.00 0.00 H ATOM 867 HG21 VAL A 52 26.513 11.598 18.115 1.00 0.00 H ATOM 868 HG22 VAL A 52 26.538 9.987 17.357 1.00 0.00 H ATOM 869 HG23 VAL A 52 27.076 10.186 19.042 1.00 0.00 H ATOM 870 H VAL A 52 27.820 9.598 15.424 1.00 0.00 H ATOM 871 N ASN A 53 30.672 11.266 15.361 1.00 8.35 N ATOM 872 CA ASN A 53 31.980 11.754 14.967 1.00 9.56 C ATOM 873 C ASN A 53 31.917 12.662 13.737 1.00 8.96 C ATOM 874 O ASN A 53 32.721 13.590 13.622 1.00 9.97 O ATOM 875 CB ASN A 53 32.941 10.577 14.766 1.00 9.88 C ATOM 876 CG ASN A 53 33.563 10.138 16.076 1.00 11.86 C ATOM 877 OD1 ASN A 53 33.982 10.981 16.878 1.00 14.20 O ATOM 878 ND2 ASN A 53 33.607 8.834 16.316 1.00 10.69 N ATOM 879 HA ASN A 53 32.365 12.376 15.775 1.00 0.00 H ATOM 880 HB2 ASN A 53 32.391 9.740 14.337 1.00 0.00 H ATOM 881 HB3 ASN A 53 33.733 10.879 14.081 1.00 0.00 H ATOM 882 HD22 ASN A 53 33.242 8.163 15.610 1.00 0.00 H ATOM 883 HD21 ASN A 53 34.006 8.483 17.210 1.00 0.00 H ATOM 884 H ASN A 53 30.447 10.253 15.296 1.00 0.00 H ATOM 885 N VAL A 54 30.972 12.409 12.829 1.00 7.43 N ATOM 886 CA VAL A 54 30.820 13.259 11.649 1.00 8.25 C ATOM 887 C VAL A 54 30.374 14.643 12.123 1.00 8.01 C ATOM 888 O VAL A 54 30.694 15.652 11.508 1.00 7.90 O ATOM 889 CB VAL A 54 29.773 12.704 10.656 1.00 9.02 C ATOM 890 CG1 VAL A 54 29.398 13.791 9.619 1.00 4.04 C ATOM 891 CG2 VAL A 54 30.339 11.462 9.963 1.00 7.78 C ATOM 892 HA VAL A 54 31.775 13.298 11.125 1.00 0.00 H ATOM 893 HB VAL A 54 28.868 12.423 11.196 1.00 0.00 H ATOM 894 HG11 VAL A 54 28.980 14.655 10.135 1.00 0.00 H ATOM 895 HG12 VAL A 54 30.291 14.091 9.070 1.00 0.00 H ATOM 896 HG13 VAL A 54 28.660 13.390 8.924 1.00 0.00 H ATOM 897 HG21 VAL A 54 31.247 11.731 9.423 1.00 0.00 H ATOM 898 HG22 VAL A 54 30.570 10.704 10.711 1.00 0.00 H ATOM 899 HG23 VAL A 54 29.601 11.070 9.263 1.00 0.00 H ATOM 900 H VAL A 54 30.336 11.597 12.962 1.00 0.00 H ATOM 901 N CYS A 55 29.630 14.681 13.222 1.00 6.50 N ATOM 902 CA CYS A 55 29.201 15.952 13.796 1.00 7.06 C ATOM 903 C CYS A 55 30.430 16.790 14.142 1.00 7.65 C ATOM 904 O CYS A 55 30.329 18.006 14.292 1.00 7.07 O ATOM 905 CB CYS A 55 28.415 15.719 15.085 1.00 5.77 C ATOM 906 SG CYS A 55 26.762 15.012 14.846 1.00 9.43 S ATOM 907 HA CYS A 55 28.572 16.463 13.067 1.00 0.00 H ATOM 908 HB2 CYS A 55 28.305 16.677 15.594 1.00 0.00 H ATOM 909 HB3 CYS A 55 28.988 15.038 15.714 1.00 0.00 H ATOM 910 H CYS A 55 29.349 13.791 13.681 1.00 0.00 H ATOM 911 N GLY A 56 31.574 16.131 14.307 1.00 6.37 N ATOM 912 CA GLY A 56 32.805 16.834 14.639 1.00 8.02 C ATOM 913 C GLY A 56 33.522 17.421 13.435 1.00 9.94 C ATOM 914 O GLY A 56 34.534 18.116 13.576 1.00 8.50 O ATOM 915 HA3 GLY A 56 33.479 16.133 15.132 1.00 0.00 H ATOM 916 HA2 GLY A 56 32.563 17.646 15.324 1.00 0.00 H ATOM 917 H GLY A 56 31.589 15.097 14.197 1.00 0.00 H ATOM 918 N ASN A 57 33.002 17.142 12.242 1.00 9.72 N ATOM 919 CA ASN A 57 33.601 17.651 11.017 1.00 10.76 C ATOM 920 C ASN A 57 33.252 19.126 10.922 1.00 10.18 C ATOM 921 O ASN A 57 32.393 19.618 11.654 1.00 9.95 O ATOM 922 CB ASN A 57 33.082 16.869 9.795 1.00 10.53 C ATOM 923 CG ASN A 57 33.742 15.487 9.656 1.00 12.22 C ATOM 924 OD1 ASN A 57 34.732 15.186 10.321 1.00 11.74 O ATOM 925 ND2 ASN A 57 33.185 14.647 8.793 1.00 10.09 N ATOM 926 HA ASN A 57 34.684 17.525 11.032 1.00 0.00 H ATOM 927 HB2 ASN A 57 32.005 16.734 9.898 1.00 0.00 H ATOM 928 HB3 ASN A 57 33.290 17.448 8.895 1.00 0.00 H ATOM 929 HD22 ASN A 57 32.348 14.939 8.249 1.00 0.00 H ATOM 930 HD21 ASN A 57 33.585 13.696 8.660 1.00 0.00 H ATOM 931 H ASN A 57 32.150 16.548 12.184 1.00 0.00 H ATOM 932 N PRO A 58 33.906 19.853 10.010 1.00 10.86 N ATOM 933 CA PRO A 58 33.627 21.283 9.876 1.00 11.54 C ATOM 934 C PRO A 58 32.170 21.613 9.646 1.00 11.08 C ATOM 935 O PRO A 58 31.478 20.907 8.923 1.00 10.58 O ATOM 936 CB PRO A 58 34.505 21.713 8.699 1.00 10.32 C ATOM 937 CG PRO A 58 35.591 20.704 8.671 1.00 11.02 C ATOM 938 CD PRO A 58 34.925 19.412 9.046 1.00 10.86 C ATOM 939 HA PRO A 58 33.849 21.816 10.801 1.00 0.00 H ATOM 940 HD3 PRO A 58 34.468 18.937 8.178 1.00 0.00 H ATOM 941 HD2 PRO A 58 35.632 18.722 9.506 1.00 0.00 H ATOM 942 HG3 PRO A 58 36.370 20.958 9.390 1.00 0.00 H ATOM 943 HG2 PRO A 58 36.027 20.636 7.674 1.00 0.00 H ATOM 944 HB2 PRO A 58 33.939 21.699 7.768 1.00 0.00 H ATOM 945 HB3 PRO A 58 34.909 22.712 8.862 1.00 0.00 H ATOM 946 N ASN A 59 31.708 22.691 10.270 1.00 10.88 N ATOM 947 CA ASN A 59 30.332 23.124 10.096 1.00 12.26 C ATOM 948 C ASN A 59 30.118 23.586 8.664 1.00 13.28 C ATOM 949 O ASN A 59 31.028 24.127 8.024 1.00 14.79 O ATOM 950 CB ASN A 59 30.006 24.278 11.039 1.00 13.15 C ATOM 951 CG ASN A 59 29.788 23.818 12.456 1.00 12.26 C ATOM 952 OD1 ASN A 59 30.681 23.247 13.085 1.00 13.68 O ATOM 953 ND2 ASN A 59 28.601 24.063 12.971 1.00 12.90 N ATOM 954 HA ASN A 59 29.678 22.282 10.322 1.00 0.00 H ATOM 955 HB2 ASN A 59 30.834 24.987 11.024 1.00 0.00 H ATOM 956 HB3 ASN A 59 29.100 24.772 10.688 1.00 0.00 H ATOM 957 HD22 ASN A 59 27.878 24.548 12.403 1.00 0.00 H ATOM 958 HD21 ASN A 59 28.387 23.772 13.946 1.00 0.00 H ATOM 959 H ASN A 59 32.341 23.233 10.892 1.00 0.00 H ATOM 960 N MET A 60 28.913 23.368 8.160 1.00 10.41 N ATOM 961 CA MET A 60 28.569 23.779 6.816 1.00 11.27 C ATOM 962 C MET A 60 27.075 24.114 6.746 1.00 11.13 C ATOM 963 O MET A 60 26.285 23.675 7.578 1.00 10.72 O ATOM 964 CB MET A 60 28.952 22.680 5.804 1.00 13.06 C ATOM 965 CG MET A 60 28.050 21.456 5.767 1.00 12.65 C ATOM 966 SD MET A 60 28.234 20.462 4.237 1.00 18.07 S ATOM 967 CE MET A 60 30.002 20.544 3.936 1.00 19.73 C ATOM 968 HA MET A 60 29.132 24.675 6.555 1.00 0.00 H ATOM 969 HB2 MET A 60 28.947 23.127 4.810 1.00 0.00 H ATOM 970 HB3 MET A 60 29.960 22.343 6.045 1.00 0.00 H ATOM 971 HG2 MET A 60 27.014 21.787 5.842 1.00 0.00 H ATOM 972 HG3 MET A 60 28.290 20.823 6.621 1.00 0.00 H ATOM 973 HE1 MET A 60 30.299 21.584 3.805 1.00 0.00 H ATOM 974 HE2 MET A 60 30.534 20.117 4.786 1.00 0.00 H ATOM 975 HE3 MET A 60 30.242 19.980 3.035 1.00 0.00 H ATOM 976 H MET A 60 28.197 22.890 8.744 1.00 0.00 H ATOM 977 N THR A 61 26.693 24.917 5.762 1.00 10.84 N ATOM 978 CA THR A 61 25.296 25.290 5.609 1.00 11.29 C ATOM 979 C THR A 61 24.463 24.055 5.251 1.00 11.35 C ATOM 980 O THR A 61 24.885 23.239 4.426 1.00 11.82 O ATOM 981 CB THR A 61 25.129 26.364 4.501 1.00 10.02 C ATOM 982 OG1 THR A 61 25.784 27.568 4.903 1.00 10.14 O ATOM 983 CG2 THR A 61 23.653 26.663 4.252 1.00 11.85 C ATOM 984 HA THR A 61 24.949 25.706 6.555 1.00 0.00 H ATOM 985 HB THR A 61 25.572 25.981 3.582 1.00 0.00 H ATOM 986 HG1 THR A 61 25.677 28.252 4.196 1.00 0.00 H ATOM 987 HG23 THR A 61 23.145 25.749 3.945 1.00 0.00 H ATOM 988 HG21 THR A 61 23.200 27.041 5.169 1.00 0.00 H ATOM 989 HG22 THR A 61 23.563 27.412 3.465 1.00 0.00 H ATOM 990 H THR A 61 27.400 25.284 5.093 1.00 0.00 H ATOM 991 N CYS A 62 23.292 23.924 5.876 1.00 11.89 N ATOM 992 CA CYS A 62 22.383 22.802 5.603 1.00 12.65 C ATOM 993 C CYS A 62 21.672 23.038 4.274 1.00 12.53 C ATOM 994 O CYS A 62 20.906 23.988 4.145 1.00 14.78 O ATOM 995 CB CYS A 62 21.332 22.690 6.705 1.00 11.17 C ATOM 996 SG CYS A 62 22.001 22.332 8.353 1.00 13.00 S ATOM 997 HA CYS A 62 22.966 21.882 5.563 1.00 0.00 H ATOM 998 HB2 CYS A 62 20.642 21.890 6.437 1.00 0.00 H ATOM 999 HB3 CYS A 62 20.790 23.634 6.756 1.00 0.00 H ATOM 1000 H CYS A 62 23.013 24.638 6.579 1.00 0.00 H ATOM 1001 N PRO A 63 21.940 22.201 3.257 1.00 14.02 N ATOM 1002 CA PRO A 63 21.259 22.414 1.968 1.00 15.38 C ATOM 1003 C PRO A 63 19.735 22.385 2.034 1.00 16.59 C ATOM 1004 O PRO A 63 19.075 23.008 1.208 1.00 16.75 O ATOM 1005 CB PRO A 63 21.821 21.317 1.055 1.00 14.84 C ATOM 1006 CG PRO A 63 22.537 20.358 1.955 1.00 13.90 C ATOM 1007 CD PRO A 63 22.903 21.086 3.215 1.00 11.25 C ATOM 1008 HA PRO A 63 21.454 23.421 1.598 1.00 0.00 H ATOM 1009 HD3 PRO A 63 22.791 20.440 4.086 1.00 0.00 H ATOM 1010 HD2 PRO A 63 23.927 21.456 3.169 1.00 0.00 H ATOM 1011 HG3 PRO A 63 23.439 19.993 1.464 1.00 0.00 H ATOM 1012 HG2 PRO A 63 21.886 19.516 2.190 1.00 0.00 H ATOM 1013 HB2 PRO A 63 21.012 20.811 0.528 1.00 0.00 H ATOM 1014 HB3 PRO A 63 22.513 21.745 0.330 1.00 0.00 H ATOM 1015 N SER A 64 19.177 21.681 3.017 1.00 19.50 N ATOM 1016 CA SER A 64 17.722 21.595 3.160 1.00 22.35 C ATOM 1017 C SER A 64 17.117 22.750 3.971 1.00 24.29 C ATOM 1018 O SER A 64 15.917 23.009 3.886 1.00 26.27 O ATOM 1019 CB SER A 64 17.325 20.243 3.746 1.00 23.36 C ATOM 1020 OG SER A 64 17.511 19.217 2.775 1.00 25.15 O ATOM 1021 HA SER A 64 17.304 21.687 2.157 1.00 0.00 H ATOM 1022 HB2 SER A 64 16.277 20.272 4.044 1.00 0.00 H ATOM 1023 HB3 SER A 64 17.944 20.032 4.618 1.00 0.00 H ATOM 1024 HG SER A 64 17.251 18.345 3.164 1.00 0.00 H ATOM 1025 H SER A 64 19.786 21.182 3.696 1.00 0.00 H ATOM 1026 N ASN A 65 17.938 23.416 4.780 1.00 25.92 N ATOM 1027 CA ASN A 65 17.514 24.615 5.518 1.00 28.02 C ATOM 1028 C ASN A 65 18.678 25.580 5.472 1.00 28.06 C ATOM 1029 O ASN A 65 19.498 25.643 6.395 1.00 28.09 O ATOM 1030 CB ASN A 65 17.150 24.381 6.982 1.00 29.85 C ATOM 1031 CG ASN A 65 16.459 25.622 7.607 1.00 31.62 C ATOM 1032 OD1 ASN A 65 16.634 26.758 7.132 1.00 30.85 O ATOM 1033 ND2 ASN A 65 15.670 25.403 8.658 1.00 31.52 N ATOM 1034 HA ASN A 65 16.604 24.982 5.044 1.00 0.00 H ATOM 1035 HB2 ASN A 65 16.473 23.529 7.046 1.00 0.00 H ATOM 1036 HB3 ASN A 65 18.059 24.163 7.542 1.00 0.00 H ATOM 1037 HD22 ASN A 65 15.550 24.438 9.026 1.00 0.00 H ATOM 1038 HD21 ASN A 65 15.174 26.197 9.111 1.00 0.00 H ATOM 1039 H ASN A 65 18.914 23.076 4.894 1.00 0.00 H ATOM 1040 N LYS A 66 18.724 26.315 4.366 1.00 26.76 N ATOM 1041 CA LYS A 66 19.746 27.298 4.065 1.00 24.76 C ATOM 1042 C LYS A 66 20.085 28.261 5.201 1.00 22.17 C ATOM 1043 O LYS A 66 21.181 28.805 5.225 1.00 22.02 O ATOM 1044 CB LYS A 66 19.322 28.096 2.826 1.00 26.67 C ATOM 1045 CG LYS A 66 18.024 28.872 3.026 1.00 31.34 C ATOM 1046 CD LYS A 66 17.390 29.317 1.714 1.00 36.02 C ATOM 1047 CE LYS A 66 15.961 28.771 1.554 1.00 38.63 C ATOM 1048 NZ LYS A 66 14.993 29.803 1.034 1.00 40.57 N ATOM 1049 HA LYS A 66 20.660 26.729 3.892 1.00 0.00 H ATOM 1050 HB2 LYS A 66 20.115 28.803 2.581 1.00 0.00 H ATOM 1051 HB3 LYS A 66 19.187 27.402 1.996 1.00 0.00 H ATOM 1052 HG2 LYS A 66 17.316 28.235 3.556 1.00 0.00 H ATOM 1053 HG3 LYS A 66 18.236 29.756 3.627 1.00 0.00 H ATOM 1054 HD2 LYS A 66 17.356 30.406 1.690 1.00 0.00 H ATOM 1055 HD3 LYS A 66 18.001 28.955 0.887 1.00 0.00 H ATOM 1056 HE2 LYS A 66 15.610 28.423 2.526 1.00 0.00 H ATOM 1057 HE3 LYS A 66 15.985 27.933 0.857 1.00 0.00 H ATOM 1058 HZ1 LYS A 66 14.954 30.604 1.696 1.00 0.00 H ATOM 1059 HZ2 LYS A 66 15.311 30.137 0.102 1.00 0.00 H ATOM 1060 HZ3 LYS A 66 14.048 29.377 0.947 1.00 0.00 H ATOM 1061 H LYS A 66 17.970 26.174 3.663 1.00 0.00 H ATOM 1062 N THR A 67 19.168 28.487 6.138 1.00 17.78 N ATOM 1063 CA THR A 67 19.475 29.418 7.219 1.00 14.54 C ATOM 1064 C THR A 67 20.277 28.786 8.360 1.00 13.22 C ATOM 1065 O THR A 67 20.780 29.494 9.230 1.00 11.61 O ATOM 1066 CB THR A 67 18.197 30.053 7.819 1.00 12.73 C ATOM 1067 OG1 THR A 67 17.494 29.086 8.607 1.00 12.68 O ATOM 1068 CG2 THR A 67 17.302 30.556 6.732 1.00 15.04 C ATOM 1069 HA THR A 67 20.089 30.186 6.749 1.00 0.00 H ATOM 1070 HB THR A 67 18.492 30.891 8.450 1.00 0.00 H ATOM 1071 HG1 THR A 67 17.240 28.318 8.036 1.00 0.00 H ATOM 1072 HG23 THR A 67 17.838 31.292 6.133 1.00 0.00 H ATOM 1073 HG21 THR A 67 16.998 29.723 6.099 1.00 0.00 H ATOM 1074 HG22 THR A 67 16.420 31.019 7.174 1.00 0.00 H ATOM 1075 H THR A 67 18.246 28.007 6.101 1.00 0.00 H ATOM 1076 N ARG A 68 20.415 27.461 8.344 1.00 12.26 N ATOM 1077 CA ARG A 68 21.143 26.762 9.404 1.00 12.26 C ATOM 1078 C ARG A 68 22.599 26.419 9.074 1.00 10.40 C ATOM 1079 O ARG A 68 22.918 25.998 7.969 1.00 9.65 O ATOM 1080 CB ARG A 68 20.373 25.503 9.781 1.00 13.82 C ATOM 1081 CG ARG A 68 18.867 25.734 9.847 1.00 20.14 C ATOM 1082 CD ARG A 68 18.456 26.373 11.151 1.00 24.41 C ATOM 1083 NE ARG A 68 18.676 25.457 12.264 1.00 31.79 N ATOM 1084 CZ ARG A 68 19.516 25.692 13.270 1.00 33.71 C ATOM 1085 NH1 ARG A 68 20.215 26.817 13.301 1.00 32.10 N ATOM 1086 NH2 ARG A 68 19.659 24.799 14.244 1.00 34.23 N ATOM 1087 HA ARG A 68 21.206 27.456 10.242 1.00 0.00 H ATOM 1088 HB2 ARG A 68 20.576 24.733 9.037 1.00 0.00 H ATOM 1089 HB3 ARG A 68 20.717 25.162 10.757 1.00 0.00 H ATOM 1090 HG2 ARG A 68 18.573 26.387 9.025 1.00 0.00 H ATOM 1091 HG3 ARG A 68 18.358 24.775 9.747 1.00 0.00 H ATOM 1092 HD2 ARG A 68 17.399 26.634 11.105 1.00 0.00 H ATOM 1093 HD3 ARG A 68 19.045 27.277 11.309 1.00 0.00 H ATOM 1094 HE ARG A 68 18.143 24.564 12.273 1.00 0.00 H ATOM 1095 HH12 ARG A 68 20.871 27.000 14.087 1.00 0.00 H ATOM 1096 HH11 ARG A 68 20.108 27.517 12.539 1.00 0.00 H ATOM 1097 HH22 ARG A 68 20.316 24.986 15.028 1.00 0.00 H ATOM 1098 HH21 ARG A 68 19.114 23.914 14.222 1.00 0.00 H ATOM 1099 H ARG A 68 19.998 26.914 7.564 1.00 0.00 H ATOM 1100 N LYS A 69 23.469 26.589 10.062 1.00 9.68 N ATOM 1101 CA LYS A 69 24.893 26.337 9.904 1.00 10.61 C ATOM 1102 C LYS A 69 25.384 25.217 10.822 1.00 10.10 C ATOM 1103 O LYS A 69 26.575 25.131 11.119 1.00 11.54 O ATOM 1104 CB LYS A 69 25.668 27.625 10.202 1.00 9.97 C ATOM 1105 CG LYS A 69 27.177 27.555 9.945 1.00 12.25 C ATOM 1106 CD LYS A 69 27.473 27.125 8.512 1.00 15.72 C ATOM 1107 CE LYS A 69 28.899 27.460 8.104 1.00 17.19 C ATOM 1108 NZ LYS A 69 29.182 28.929 8.187 1.00 13.68 N ATOM 1109 HA LYS A 69 25.066 26.017 8.876 1.00 0.00 H ATOM 1110 HB2 LYS A 69 25.256 28.418 9.578 1.00 0.00 H ATOM 1111 HB3 LYS A 69 25.516 27.875 11.252 1.00 0.00 H ATOM 1112 HG2 LYS A 69 27.614 28.539 10.119 1.00 0.00 H ATOM 1113 HG3 LYS A 69 27.622 26.835 10.632 1.00 0.00 H ATOM 1114 HD2 LYS A 69 27.326 26.048 8.429 1.00 0.00 H ATOM 1115 HD3 LYS A 69 26.784 27.637 7.840 1.00 0.00 H ATOM 1116 HE2 LYS A 69 29.057 27.129 7.078 1.00 0.00 H ATOM 1117 HE3 LYS A 69 29.587 26.932 8.765 1.00 0.00 H ATOM 1118 HZ1 LYS A 69 28.536 29.442 7.554 1.00 0.00 H ATOM 1119 HZ2 LYS A 69 29.041 29.253 9.165 1.00 0.00 H ATOM 1120 HZ3 LYS A 69 30.165 29.108 7.900 1.00 0.00 H ATOM 1121 H LYS A 69 23.119 26.915 10.985 1.00 0.00 H ATOM 1122 N ASN A 70 24.468 24.364 11.271 1.00 10.32 N ATOM 1123 CA ASN A 70 24.829 23.269 12.167 1.00 10.05 C ATOM 1124 C ASN A 70 24.940 21.927 11.447 1.00 8.85 C ATOM 1125 O ASN A 70 24.826 20.873 12.063 1.00 8.74 O ATOM 1126 CB ASN A 70 23.816 23.171 13.322 1.00 9.57 C ATOM 1127 CG ASN A 70 22.412 22.780 12.857 1.00 11.12 C ATOM 1128 OD1 ASN A 70 22.039 22.992 11.702 1.00 13.74 O ATOM 1129 ND2 ASN A 70 21.627 22.214 13.766 1.00 9.73 N ATOM 1130 HA ASN A 70 25.818 23.498 12.565 1.00 0.00 H ATOM 1131 HB2 ASN A 70 24.169 22.421 14.030 1.00 0.00 H ATOM 1132 HB3 ASN A 70 23.760 24.140 13.818 1.00 0.00 H ATOM 1133 HD22 ASN A 70 21.981 22.053 14.731 1.00 0.00 H ATOM 1134 HD21 ASN A 70 20.658 21.932 13.513 1.00 0.00 H ATOM 1135 H ASN A 70 23.477 24.479 10.979 1.00 0.00 H ATOM 1136 N CYS A 71 25.182 21.962 10.144 1.00 8.07 N ATOM 1137 CA CYS A 71 25.304 20.721 9.401 1.00 8.85 C ATOM 1138 C CYS A 71 26.750 20.288 9.233 1.00 9.59 C ATOM 1139 O CYS A 71 27.680 21.101 9.348 1.00 7.63 O ATOM 1140 CB CYS A 71 24.629 20.848 8.044 1.00 8.22 C ATOM 1141 SG CYS A 71 22.846 20.498 8.132 1.00 11.09 S ATOM 1142 HA CYS A 71 24.802 19.948 9.982 1.00 0.00 H ATOM 1143 HB2 CYS A 71 25.092 20.143 7.353 1.00 0.00 H ATOM 1144 HB3 CYS A 71 24.770 21.864 7.674 1.00 0.00 H ATOM 1145 H CYS A 71 25.284 22.875 9.656 1.00 0.00 H ATOM 1146 N HIS A 72 26.929 18.994 8.970 1.00 10.42 N ATOM 1147 CA HIS A 72 28.255 18.393 8.805 1.00 10.24 C ATOM 1148 C HIS A 72 28.239 17.326 7.701 1.00 8.96 C ATOM 1149 O HIS A 72 27.312 16.529 7.606 1.00 9.50 O ATOM 1150 CB HIS A 72 28.694 17.796 10.145 1.00 8.29 C ATOM 1151 CG HIS A 72 28.548 18.751 11.290 1.00 8.06 C ATOM 1152 ND1 HIS A 72 29.576 19.562 11.717 1.00 7.08 N ATOM 1153 CD2 HIS A 72 27.476 19.071 12.054 1.00 10.65 C ATOM 1154 CE1 HIS A 72 29.146 20.341 12.695 1.00 8.53 C ATOM 1155 NE2 HIS A 72 27.875 20.064 12.919 1.00 10.95 N ATOM 1156 HA HIS A 72 28.968 19.159 8.500 1.00 0.00 H ATOM 1157 HB2 HIS A 72 28.086 16.915 10.348 1.00 0.00 H ATOM 1158 HB3 HIS A 72 29.741 17.503 10.068 1.00 0.00 H ATOM 1159 HD2 HIS A 72 26.483 18.625 11.995 1.00 0.00 H ATOM 1160 HE1 HIS A 72 29.740 21.085 13.226 1.00 0.00 H ATOM 1161 H HIS A 72 26.091 18.384 8.878 1.00 0.00 H ATOM 1162 N HIS A 73 29.276 17.335 6.872 1.00 10.10 N ATOM 1163 CA HIS A 73 29.402 16.414 5.743 1.00 10.88 C ATOM 1164 C HIS A 73 30.212 15.179 6.148 1.00 9.94 C ATOM 1165 O HIS A 73 31.274 15.306 6.748 1.00 9.16 O ATOM 1166 CB HIS A 73 30.094 17.149 4.584 1.00 10.85 C ATOM 1167 CG HIS A 73 29.847 16.553 3.232 1.00 12.64 C ATOM 1168 ND1 HIS A 73 30.492 15.418 2.788 1.00 16.94 N ATOM 1169 CD2 HIS A 73 29.102 16.991 2.190 1.00 13.85 C ATOM 1170 CE1 HIS A 73 30.158 15.186 1.531 1.00 14.09 C ATOM 1171 NE2 HIS A 73 29.317 16.127 1.145 1.00 13.46 N ATOM 1172 HA HIS A 73 28.413 16.080 5.430 1.00 0.00 H ATOM 1173 HB2 HIS A 73 29.737 18.179 4.572 1.00 0.00 H ATOM 1174 HB3 HIS A 73 31.168 17.140 4.769 1.00 0.00 H ATOM 1175 HD2 HIS A 73 28.453 17.866 2.182 1.00 0.00 H ATOM 1176 HE1 HIS A 73 30.516 14.359 0.918 1.00 0.00 H ATOM 1177 H HIS A 73 30.034 18.029 7.033 1.00 0.00 H ATOM 1178 N SER A 74 29.708 13.994 5.809 1.00 10.21 N ATOM 1179 CA SER A 74 30.386 12.744 6.145 1.00 12.69 C ATOM 1180 C SER A 74 31.812 12.630 5.591 1.00 15.62 C ATOM 1181 O SER A 74 32.638 11.932 6.166 1.00 20.03 O ATOM 1182 CB SER A 74 29.565 11.539 5.675 1.00 10.33 C ATOM 1183 OG SER A 74 29.513 11.476 4.263 1.00 9.55 O ATOM 1184 HA SER A 74 30.471 12.751 7.232 1.00 0.00 H ATOM 1185 HB2 SER A 74 28.551 11.625 6.065 1.00 0.00 H ATOM 1186 HB3 SER A 74 30.023 10.626 6.055 1.00 0.00 H ATOM 1187 HG SER A 74 30.432 11.393 3.903 1.00 0.00 H ATOM 1188 H SER A 74 28.807 13.957 5.291 1.00 0.00 H ATOM 1189 N GLY A 75 32.123 13.291 4.484 1.00 16.92 N ATOM 1190 CA GLY A 75 33.490 13.185 3.986 1.00 22.16 C ATOM 1191 C GLY A 75 33.855 11.810 3.436 1.00 23.71 C ATOM 1192 O GLY A 75 34.897 11.634 2.814 1.00 25.76 O ATOM 1193 HA3 GLY A 75 34.171 13.416 4.805 1.00 0.00 H ATOM 1194 HA2 GLY A 75 33.621 13.917 3.189 1.00 0.00 H ATOM 1195 H GLY A 75 31.414 13.867 3.986 1.00 0.00 H ATOM 1196 N SER A 76 32.996 10.827 3.679 1.00 24.22 N ATOM 1197 CA SER A 76 33.191 9.471 3.169 1.00 22.36 C ATOM 1198 C SER A 76 31.798 8.896 2.865 1.00 20.44 C ATOM 1199 O SER A 76 30.842 9.149 3.608 1.00 18.40 O ATOM 1200 CB SER A 76 33.921 8.615 4.204 1.00 23.71 C ATOM 1201 OG SER A 76 34.014 7.274 3.781 1.00 26.88 O ATOM 1202 HA SER A 76 33.803 9.478 2.267 1.00 0.00 H ATOM 1203 HB2 SER A 76 33.375 8.654 5.147 1.00 0.00 H ATOM 1204 HB3 SER A 76 34.925 9.013 4.350 1.00 0.00 H ATOM 1205 HG SER A 76 33.104 6.906 3.651 1.00 0.00 H ATOM 1206 H SER A 76 32.153 11.029 4.254 1.00 0.00 H ATOM 1207 N GLN A 77 31.678 8.157 1.762 1.00 18.77 N ATOM 1208 CA GLN A 77 30.395 7.565 1.370 1.00 18.46 C ATOM 1209 C GLN A 77 30.055 6.373 2.255 1.00 17.84 C ATOM 1210 O GLN A 77 30.945 5.649 2.694 1.00 17.46 O ATOM 1211 CB GLN A 77 30.434 7.111 -0.092 1.00 18.45 C ATOM 1212 CG GLN A 77 30.481 8.249 -1.100 1.00 20.56 C ATOM 1213 CD GLN A 77 30.244 7.777 -2.518 1.00 21.79 C ATOM 1214 OE1 GLN A 77 30.737 6.721 -2.923 1.00 22.55 O ATOM 1215 NE2 GLN A 77 29.487 8.559 -3.286 1.00 24.65 N ATOM 1216 HA GLN A 77 29.628 8.330 1.490 1.00 0.00 H ATOM 1217 HB2 GLN A 77 31.320 6.492 -0.234 1.00 0.00 H ATOM 1218 HB3 GLN A 77 29.542 6.517 -0.289 1.00 0.00 H ATOM 1219 HG2 GLN A 77 29.713 8.978 -0.841 1.00 0.00 H ATOM 1220 HG3 GLN A 77 31.462 8.722 -1.048 1.00 0.00 H ATOM 1221 HE22 GLN A 77 29.092 9.441 -2.901 1.00 0.00 H ATOM 1222 HE21 GLN A 77 29.291 8.288 -4.271 1.00 0.00 H ATOM 1223 H GLN A 77 32.514 7.996 1.165 1.00 0.00 H ATOM 1224 N VAL A 78 28.769 6.176 2.530 1.00 15.93 N ATOM 1225 CA VAL A 78 28.362 5.044 3.344 1.00 13.76 C ATOM 1226 C VAL A 78 27.236 4.314 2.649 1.00 12.94 C ATOM 1227 O VAL A 78 26.539 4.893 1.811 1.00 10.46 O ATOM 1228 CB VAL A 78 27.858 5.472 4.754 1.00 11.47 C ATOM 1229 CG1 VAL A 78 28.961 6.178 5.508 1.00 14.76 C ATOM 1230 CG2 VAL A 78 26.640 6.371 4.635 1.00 14.52 C ATOM 1231 HA VAL A 78 29.239 4.409 3.472 1.00 0.00 H ATOM 1232 HB VAL A 78 27.571 4.577 5.307 1.00 0.00 H ATOM 1233 HG11 VAL A 78 29.811 5.505 5.621 1.00 0.00 H ATOM 1234 HG12 VAL A 78 29.269 7.064 4.953 1.00 0.00 H ATOM 1235 HG13 VAL A 78 28.596 6.472 6.492 1.00 0.00 H ATOM 1236 HG21 VAL A 78 26.903 7.263 4.067 1.00 0.00 H ATOM 1237 HG22 VAL A 78 25.842 5.834 4.122 1.00 0.00 H ATOM 1238 HG23 VAL A 78 26.304 6.659 5.631 1.00 0.00 H ATOM 1239 H VAL A 78 28.053 6.834 2.161 1.00 0.00 H ATOM 1240 N PRO A 79 27.080 3.010 2.939 1.00 13.48 N ATOM 1241 CA PRO A 79 25.980 2.286 2.297 1.00 12.66 C ATOM 1242 C PRO A 79 24.715 2.779 2.995 1.00 12.31 C ATOM 1243 O PRO A 79 24.728 3.062 4.192 1.00 11.99 O ATOM 1244 CB PRO A 79 26.254 0.815 2.619 1.00 14.97 C ATOM 1245 CG PRO A 79 27.610 0.779 3.263 1.00 15.82 C ATOM 1246 CD PRO A 79 27.870 2.143 3.825 1.00 12.67 C ATOM 1247 HA PRO A 79 25.881 2.426 1.221 1.00 0.00 H ATOM 1248 HD3 PRO A 79 27.526 2.216 4.857 1.00 0.00 H ATOM 1249 HD2 PRO A 79 28.930 2.393 3.778 1.00 0.00 H ATOM 1250 HG3 PRO A 79 28.369 0.529 2.522 1.00 0.00 H ATOM 1251 HG2 PRO A 79 27.625 0.037 4.061 1.00 0.00 H ATOM 1252 HB2 PRO A 79 25.499 0.430 3.304 1.00 0.00 H ATOM 1253 HB3 PRO A 79 26.252 0.220 1.706 1.00 0.00 H ATOM 1254 N LEU A 80 23.628 2.893 2.248 1.00 11.43 N ATOM 1255 CA LEU A 80 22.374 3.348 2.829 1.00 11.39 C ATOM 1256 C LEU A 80 21.217 2.707 2.077 1.00 11.23 C ATOM 1257 O LEU A 80 21.404 2.151 0.999 1.00 10.04 O ATOM 1258 CB LEU A 80 22.278 4.881 2.738 1.00 9.62 C ATOM 1259 CG LEU A 80 22.376 5.507 1.338 1.00 10.99 C ATOM 1260 CD1 LEU A 80 21.015 5.471 0.658 1.00 10.56 C ATOM 1261 CD2 LEU A 80 22.888 6.942 1.445 1.00 11.26 C ATOM 1262 HA LEU A 80 22.331 3.059 3.879 1.00 0.00 H ATOM 1263 HB2 LEU A 80 21.319 5.176 3.163 1.00 0.00 H ATOM 1264 HB3 LEU A 80 23.085 5.297 3.341 1.00 0.00 H ATOM 1265 HG LEU A 80 23.079 4.933 0.735 1.00 0.00 H ATOM 1266 HD21 LEU A 80 22.199 7.528 2.054 1.00 0.00 H ATOM 1267 HD22 LEU A 80 23.874 6.941 1.909 1.00 0.00 H ATOM 1268 HD23 LEU A 80 22.954 7.378 0.448 1.00 0.00 H ATOM 1269 HD11 LEU A 80 20.683 4.437 0.568 1.00 0.00 H ATOM 1270 HD12 LEU A 80 20.297 6.034 1.255 1.00 0.00 H ATOM 1271 HD13 LEU A 80 21.094 5.917 -0.334 1.00 0.00 H ATOM 1272 H LEU A 80 23.671 2.655 1.236 1.00 0.00 H ATOM 1273 N ILE A 81 20.031 2.750 2.670 1.00 11.44 N ATOM 1274 CA ILE A 81 18.838 2.219 2.015 1.00 11.68 C ATOM 1275 C ILE A 81 17.786 3.320 2.085 1.00 11.57 C ATOM 1276 O ILE A 81 17.494 3.846 3.164 1.00 10.00 O ATOM 1277 CB ILE A 81 18.289 0.927 2.700 1.00 12.67 C ATOM 1278 CG1 ILE A 81 19.256 -0.245 2.462 1.00 13.59 C ATOM 1279 CG2 ILE A 81 16.912 0.560 2.102 1.00 9.10 C ATOM 1280 CD1 ILE A 81 19.427 -1.141 3.654 1.00 14.27 C ATOM 1281 HA ILE A 81 19.085 1.935 0.992 1.00 0.00 H ATOM 1282 HB ILE A 81 18.192 1.115 3.769 1.00 0.00 H ATOM 1283 HG12 ILE A 81 18.875 -0.843 1.634 1.00 0.00 H ATOM 1284 HG13 ILE A 81 20.231 0.162 2.195 1.00 0.00 H ATOM 1285 HD11 ILE A 81 19.820 -0.561 4.489 1.00 0.00 H ATOM 1286 HD12 ILE A 81 18.462 -1.567 3.928 1.00 0.00 H ATOM 1287 HD13 ILE A 81 20.123 -1.943 3.407 1.00 0.00 H ATOM 1288 HG21 ILE A 81 16.214 1.381 2.269 1.00 0.00 H ATOM 1289 HG22 ILE A 81 17.018 0.383 1.032 1.00 0.00 H ATOM 1290 HG23 ILE A 81 16.536 -0.342 2.585 1.00 0.00 H ATOM 1291 H ILE A 81 19.949 3.169 3.618 1.00 0.00 H ATOM 1292 N HIS A 82 17.250 3.695 0.926 1.00 10.46 N ATOM 1293 CA HIS A 82 16.227 4.726 0.866 1.00 11.12 C ATOM 1294 C HIS A 82 14.868 4.074 0.649 1.00 9.66 C ATOM 1295 O HIS A 82 14.669 3.312 -0.296 1.00 9.16 O ATOM 1296 CB HIS A 82 16.523 5.722 -0.260 1.00 14.38 C ATOM 1297 CG HIS A 82 15.638 6.931 -0.241 1.00 17.87 C ATOM 1298 ND1 HIS A 82 15.732 7.907 0.727 1.00 19.47 N ATOM 1299 CD2 HIS A 82 14.627 7.311 -1.060 1.00 19.06 C ATOM 1300 CE1 HIS A 82 14.816 8.835 0.507 1.00 18.08 C ATOM 1301 NE2 HIS A 82 14.133 8.497 -0.572 1.00 19.57 N ATOM 1302 HA HIS A 82 16.222 5.275 1.808 1.00 0.00 H ATOM 1303 HB2 HIS A 82 17.558 6.051 -0.166 1.00 0.00 H ATOM 1304 HB3 HIS A 82 16.390 5.213 -1.214 1.00 0.00 H ATOM 1305 HD2 HIS A 82 14.272 6.776 -1.941 1.00 0.00 H ATOM 1306 HE1 HIS A 82 14.652 9.726 1.113 1.00 0.00 H ATOM 1307 H HIS A 82 17.569 3.242 0.046 1.00 0.00 H ATOM 1308 N CYS A 83 13.944 4.370 1.550 1.00 9.65 N ATOM 1309 CA CYS A 83 12.603 3.827 1.492 1.00 10.37 C ATOM 1310 C CYS A 83 11.665 4.846 0.869 1.00 12.15 C ATOM 1311 O CYS A 83 11.680 6.018 1.239 1.00 12.26 O ATOM 1312 CB CYS A 83 12.115 3.472 2.900 1.00 10.10 C ATOM 1313 SG CYS A 83 13.179 2.299 3.801 1.00 10.97 S ATOM 1314 HA CYS A 83 12.614 2.923 0.883 1.00 0.00 H ATOM 1315 HB2 CYS A 83 11.121 3.033 2.815 1.00 0.00 H ATOM 1316 HB3 CYS A 83 12.055 4.392 3.481 1.00 0.00 H ATOM 1317 H CYS A 83 14.190 5.016 2.327 1.00 0.00 H ATOM 1318 N ASN A 84 10.848 4.376 -0.072 1.00 13.29 N ATOM 1319 CA ASN A 84 9.876 5.198 -0.787 1.00 13.54 C ATOM 1320 C ASN A 84 8.521 4.548 -0.636 1.00 14.95 C ATOM 1321 O ASN A 84 8.375 3.350 -0.880 1.00 15.30 O ATOM 1322 CB ASN A 84 10.224 5.268 -2.277 1.00 13.78 C ATOM 1323 CG ASN A 84 11.376 6.198 -2.559 1.00 18.35 C ATOM 1324 OD1 ASN A 84 11.185 7.410 -2.672 1.00 22.05 O ATOM 1325 ND2 ASN A 84 12.584 5.645 -2.674 1.00 15.15 N ATOM 1326 HA ASN A 84 9.880 6.209 -0.378 1.00 0.00 H ATOM 1327 HB2 ASN A 84 10.489 4.268 -2.621 1.00 0.00 H ATOM 1328 HB3 ASN A 84 9.349 5.619 -2.824 1.00 0.00 H ATOM 1329 HD22 ASN A 84 12.697 4.616 -2.571 1.00 0.00 H ATOM 1330 HD21 ASN A 84 13.413 6.242 -2.867 1.00 0.00 H ATOM 1331 H ASN A 84 10.906 3.366 -0.311 1.00 0.00 H ATOM 1332 N LEU A 85 7.530 5.336 -0.235 1.00 15.88 N ATOM 1333 CA LEU A 85 6.167 4.836 -0.057 1.00 17.31 C ATOM 1334 C LEU A 85 5.545 4.458 -1.419 1.00 17.76 C ATOM 1335 O LEU A 85 5.481 5.277 -2.334 1.00 19.67 O ATOM 1336 CB LEU A 85 5.326 5.909 0.645 1.00 17.09 C ATOM 1337 CG LEU A 85 3.846 5.653 0.900 1.00 15.34 C ATOM 1338 CD1 LEU A 85 3.659 4.485 1.849 1.00 14.45 C ATOM 1339 CD2 LEU A 85 3.234 6.929 1.465 1.00 17.27 C ATOM 1340 HA LEU A 85 6.189 3.937 0.559 1.00 0.00 H ATOM 1341 HB2 LEU A 85 5.789 6.091 1.615 1.00 0.00 H ATOM 1342 HB3 LEU A 85 5.392 6.812 0.038 1.00 0.00 H ATOM 1343 HG LEU A 85 3.345 5.389 -0.031 1.00 0.00 H ATOM 1344 HD21 LEU A 85 3.736 7.190 2.397 1.00 0.00 H ATOM 1345 HD22 LEU A 85 3.357 7.739 0.746 1.00 0.00 H ATOM 1346 HD23 LEU A 85 2.173 6.768 1.655 1.00 0.00 H ATOM 1347 HD11 LEU A 85 4.102 3.590 1.413 1.00 0.00 H ATOM 1348 HD12 LEU A 85 4.147 4.708 2.798 1.00 0.00 H ATOM 1349 HD13 LEU A 85 2.594 4.321 2.016 1.00 0.00 H ATOM 1350 H LEU A 85 7.729 6.338 -0.042 1.00 0.00 H ATOM 1351 N THR A 86 5.114 3.210 -1.553 1.00 17.84 N ATOM 1352 CA THR A 86 4.511 2.747 -2.797 1.00 19.60 C ATOM 1353 C THR A 86 3.020 2.542 -2.610 1.00 20.27 C ATOM 1354 O THR A 86 2.259 2.555 -3.574 1.00 20.09 O ATOM 1355 CB THR A 86 5.126 1.411 -3.259 1.00 18.74 C ATOM 1356 OG1 THR A 86 4.773 0.373 -2.333 1.00 18.95 O ATOM 1357 CG2 THR A 86 6.628 1.521 -3.335 1.00 19.70 C ATOM 1358 HA THR A 86 4.701 3.510 -3.552 1.00 0.00 H ATOM 1359 HB THR A 86 4.737 1.172 -4.249 1.00 0.00 H ATOM 1360 HG1 THR A 86 5.120 0.602 -1.434 1.00 0.00 H ATOM 1361 HG23 THR A 86 6.898 2.309 -4.038 1.00 0.00 H ATOM 1362 HG21 THR A 86 7.024 1.761 -2.348 1.00 0.00 H ATOM 1363 HG22 THR A 86 7.044 0.572 -3.674 1.00 0.00 H ATOM 1364 H THR A 86 5.208 2.550 -0.755 1.00 0.00 H ATOM 1365 N THR A 87 2.611 2.346 -1.361 1.00 22.08 N ATOM 1366 CA THR A 87 1.209 2.126 -1.048 1.00 25.05 C ATOM 1367 C THR A 87 0.716 2.989 0.112 1.00 26.73 C ATOM 1368 O THR A 87 0.575 2.495 1.228 1.00 26.34 O ATOM 1369 CB THR A 87 0.974 0.667 -0.693 1.00 24.65 C ATOM 1370 OG1 THR A 87 1.469 -0.150 -1.755 1.00 27.34 O ATOM 1371 CG2 THR A 87 -0.507 0.398 -0.485 1.00 24.94 C ATOM 1372 HA THR A 87 0.650 2.406 -1.941 1.00 0.00 H ATOM 1373 HB THR A 87 1.497 0.434 0.235 1.00 0.00 H ATOM 1374 HG1 THR A 87 0.990 0.074 -2.592 1.00 0.00 H ATOM 1375 HG23 THR A 87 -0.878 1.024 0.326 1.00 0.00 H ATOM 1376 HG21 THR A 87 -1.049 0.629 -1.402 1.00 0.00 H ATOM 1377 HG22 THR A 87 -0.652 -0.652 -0.231 1.00 0.00 H ATOM 1378 H THR A 87 3.310 2.350 -0.591 1.00 0.00 H ATOM 1379 N PRO A 88 0.455 4.294 -0.139 1.00 27.59 N ATOM 1380 CA PRO A 88 -0.026 5.197 0.920 1.00 27.80 C ATOM 1381 C PRO A 88 -1.349 4.689 1.458 1.00 26.92 C ATOM 1382 O PRO A 88 -2.202 4.260 0.685 1.00 24.81 O ATOM 1383 CB PRO A 88 -0.179 6.553 0.221 1.00 28.27 C ATOM 1384 CG PRO A 88 -0.224 6.239 -1.245 1.00 29.39 C ATOM 1385 CD PRO A 88 0.601 4.990 -1.431 1.00 28.53 C ATOM 1386 HA PRO A 88 0.647 5.264 1.775 1.00 0.00 H ATOM 1387 HD3 PRO A 88 0.213 4.383 -2.249 1.00 0.00 H ATOM 1388 HD2 PRO A 88 1.645 5.236 -1.627 1.00 0.00 H ATOM 1389 HG3 PRO A 88 0.199 7.062 -1.822 1.00 0.00 H ATOM 1390 HG2 PRO A 88 -1.252 6.065 -1.563 1.00 0.00 H ATOM 1391 HB2 PRO A 88 -1.100 7.043 0.535 1.00 0.00 H ATOM 1392 HB3 PRO A 88 0.670 7.198 0.448 1.00 0.00 H ATOM 1393 N SER A 89 -1.515 4.736 2.775 1.00 26.65 N ATOM 1394 CA SER A 89 -2.741 4.252 3.397 1.00 29.24 C ATOM 1395 C SER A 89 -3.129 5.119 4.601 1.00 31.06 C ATOM 1396 O SER A 89 -3.086 4.667 5.742 1.00 31.72 O ATOM 1397 CB SER A 89 -2.547 2.787 3.815 1.00 27.19 C ATOM 1398 OG SER A 89 -3.640 2.317 4.578 1.00 28.51 O ATOM 1399 HA SER A 89 -3.557 4.317 2.677 1.00 0.00 H ATOM 1400 HB2 SER A 89 -1.638 2.706 4.411 1.00 0.00 H ATOM 1401 HB3 SER A 89 -2.449 2.173 2.920 1.00 0.00 H ATOM 1402 HG SER A 89 -3.731 2.867 5.396 1.00 0.00 H ATOM 1403 H SER A 89 -0.758 5.125 3.372 1.00 0.00 H ATOM 1404 N PRO A 90 -3.543 6.375 4.346 1.00 32.40 N ATOM 1405 CA PRO A 90 -3.949 7.355 5.366 1.00 34.75 C ATOM 1406 C PRO A 90 -4.937 6.878 6.438 1.00 35.75 C ATOM 1407 O PRO A 90 -5.006 7.454 7.526 1.00 36.23 O ATOM 1408 CB PRO A 90 -4.530 8.520 4.551 1.00 33.61 C ATOM 1409 CG PRO A 90 -3.951 8.386 3.201 1.00 34.06 C ATOM 1410 CD PRO A 90 -3.673 6.918 2.981 1.00 34.16 C ATOM 1411 HA PRO A 90 -3.082 7.609 5.976 1.00 0.00 H ATOM 1412 HD3 PRO A 90 -4.497 6.442 2.450 1.00 0.00 H ATOM 1413 HD2 PRO A 90 -2.751 6.778 2.418 1.00 0.00 H ATOM 1414 HG3 PRO A 90 -3.025 8.957 3.133 1.00 0.00 H ATOM 1415 HG2 PRO A 90 -4.656 8.749 2.454 1.00 0.00 H ATOM 1416 HB2 PRO A 90 -5.617 8.450 4.508 1.00 0.00 H ATOM 1417 HB3 PRO A 90 -4.246 9.474 4.994 1.00 0.00 H ATOM 1418 N GLN A 91 -5.704 5.838 6.134 1.00 36.91 N ATOM 1419 CA GLN A 91 -6.685 5.333 7.087 1.00 38.77 C ATOM 1420 C GLN A 91 -6.168 4.150 7.899 1.00 37.60 C ATOM 1421 O GLN A 91 -6.594 3.939 9.036 1.00 38.54 O ATOM 1422 CB GLN A 91 -7.973 4.937 6.355 1.00 41.00 C ATOM 1423 CG GLN A 91 -7.759 3.974 5.189 1.00 43.83 C ATOM 1424 CD GLN A 91 -7.264 4.676 3.935 1.00 43.81 C ATOM 1425 OE1 GLN A 91 -6.055 4.780 3.697 1.00 45.21 O ATOM 1426 NE2 GLN A 91 -8.198 5.163 3.124 1.00 45.97 N ATOM 1427 HA GLN A 91 -6.887 6.141 7.790 1.00 0.00 H ATOM 1428 HB2 GLN A 91 -8.642 4.462 7.073 1.00 0.00 H ATOM 1429 HB3 GLN A 91 -8.440 5.843 5.969 1.00 0.00 H ATOM 1430 HG2 GLN A 91 -7.023 3.226 5.484 1.00 0.00 H ATOM 1431 HG3 GLN A 91 -8.705 3.482 4.964 1.00 0.00 H ATOM 1432 HE22 GLN A 91 -9.204 5.053 3.364 1.00 0.00 H ATOM 1433 HE21 GLN A 91 -7.923 5.654 2.250 1.00 0.00 H ATOM 1434 H GLN A 91 -5.604 5.379 5.206 1.00 0.00 H ATOM 1435 N ASN A 92 -5.260 3.373 7.319 1.00 35.87 N ATOM 1436 CA ASN A 92 -4.710 2.223 8.024 1.00 34.76 C ATOM 1437 C ASN A 92 -3.226 2.055 7.737 1.00 33.76 C ATOM 1438 O ASN A 92 -2.822 1.169 6.986 1.00 33.56 O ATOM 1439 CB ASN A 92 -5.458 0.957 7.633 1.00 34.59 C ATOM 1440 CG ASN A 92 -5.209 -0.171 8.600 1.00 36.41 C ATOM 1441 OD1 ASN A 92 -5.920 -1.173 8.595 1.00 38.79 O ATOM 1442 ND2 ASN A 92 -4.191 -0.015 9.444 1.00 36.67 N ATOM 1443 HA ASN A 92 -4.833 2.399 9.093 1.00 0.00 H ATOM 1444 HB2 ASN A 92 -6.526 1.172 7.611 1.00 0.00 H ATOM 1445 HB3 ASN A 92 -5.131 0.648 6.640 1.00 0.00 H ATOM 1446 HD22 ASN A 92 -3.616 0.851 9.411 1.00 0.00 H ATOM 1447 HD21 ASN A 92 -3.971 -0.759 10.136 1.00 0.00 H ATOM 1448 H ASN A 92 -4.939 3.588 6.353 1.00 0.00 H ATOM 1449 N ILE A 93 -2.427 2.909 8.370 1.00 32.61 N ATOM 1450 CA ILE A 93 -0.972 2.945 8.211 1.00 30.13 C ATOM 1451 C ILE A 93 -0.193 1.630 8.357 1.00 28.98 C ATOM 1452 O ILE A 93 0.934 1.521 7.880 1.00 27.04 O ATOM 1453 CB ILE A 93 -0.364 4.016 9.164 1.00 31.06 C ATOM 1454 CG1 ILE A 93 -0.264 3.470 10.592 1.00 28.71 C ATOM 1455 CG2 ILE A 93 -1.231 5.282 9.133 1.00 28.44 C ATOM 1456 CD1 ILE A 93 -0.114 4.547 11.649 1.00 28.15 C ATOM 1457 HA ILE A 93 -0.848 3.195 7.157 1.00 0.00 H ATOM 1458 HB ILE A 93 0.642 4.264 8.825 1.00 0.00 H ATOM 1459 HG12 ILE A 93 -1.168 2.901 10.807 1.00 0.00 H ATOM 1460 HG13 ILE A 93 0.601 2.810 10.648 1.00 0.00 H ATOM 1461 HD11 ILE A 93 0.793 5.120 11.456 1.00 0.00 H ATOM 1462 HD12 ILE A 93 -0.978 5.211 11.615 1.00 0.00 H ATOM 1463 HD13 ILE A 93 -0.050 4.082 12.633 1.00 0.00 H ATOM 1464 HG21 ILE A 93 -1.261 5.675 8.117 1.00 0.00 H ATOM 1465 HG22 ILE A 93 -2.242 5.037 9.460 1.00 0.00 H ATOM 1466 HG23 ILE A 93 -0.804 6.030 9.801 1.00 0.00 H ATOM 1467 H ILE A 93 -2.863 3.595 9.019 1.00 0.00 H ATOM 1468 N SER A 94 -0.767 0.631 9.012 1.00 29.02 N ATOM 1469 CA SER A 94 -0.055 -0.640 9.131 1.00 30.89 C ATOM 1470 C SER A 94 -0.105 -1.317 7.754 1.00 30.33 C ATOM 1471 O SER A 94 0.557 -2.327 7.510 1.00 29.44 O ATOM 1472 CB SER A 94 -0.714 -1.535 10.194 1.00 31.48 C ATOM 1473 OG SER A 94 -2.092 -1.758 9.916 1.00 35.42 O ATOM 1474 HA SER A 94 0.976 -0.473 9.443 1.00 0.00 H ATOM 1475 HB2 SER A 94 -0.624 -1.053 11.167 1.00 0.00 H ATOM 1476 HB3 SER A 94 -0.198 -2.495 10.216 1.00 0.00 H ATOM 1477 HG SER A 94 -2.480 -2.336 10.620 1.00 0.00 H ATOM 1478 H SER A 94 -1.710 0.750 9.435 1.00 0.00 H ATOM 1479 N ASN A 95 -0.889 -0.723 6.855 1.00 30.64 N ATOM 1480 CA ASN A 95 -1.070 -1.238 5.498 1.00 30.48 C ATOM 1481 C ASN A 95 -0.160 -0.589 4.450 1.00 29.04 C ATOM 1482 O ASN A 95 -0.230 -0.924 3.266 1.00 31.10 O ATOM 1483 CB ASN A 95 -2.535 -1.067 5.065 1.00 30.86 C ATOM 1484 CG ASN A 95 -3.368 -2.308 5.323 1.00 30.92 C ATOM 1485 OD1 ASN A 95 -2.983 -3.173 6.107 1.00 31.13 O ATOM 1486 ND2 ASN A 95 -4.516 -2.402 4.661 1.00 30.58 N ATOM 1487 HA ASN A 95 -0.791 -2.291 5.543 1.00 0.00 H ATOM 1488 HB2 ASN A 95 -2.968 -0.234 5.619 1.00 0.00 H ATOM 1489 HB3 ASN A 95 -2.560 -0.845 3.998 1.00 0.00 H ATOM 1490 HD22 ASN A 95 -4.803 -1.646 4.007 1.00 0.00 H ATOM 1491 HD21 ASN A 95 -5.128 -3.232 4.797 1.00 0.00 H ATOM 1492 H ASN A 95 -1.394 0.144 7.130 1.00 0.00 H ATOM 1493 N CYS A 96 0.691 0.335 4.873 1.00 24.94 N ATOM 1494 CA CYS A 96 1.584 0.988 3.934 1.00 21.20 C ATOM 1495 C CYS A 96 2.735 0.077 3.538 1.00 19.48 C ATOM 1496 O CYS A 96 3.271 -0.654 4.365 1.00 19.50 O ATOM 1497 CB CYS A 96 2.119 2.278 4.539 1.00 20.02 C ATOM 1498 SG CYS A 96 0.806 3.516 4.786 1.00 20.34 S ATOM 1499 HA CYS A 96 1.017 1.220 3.032 1.00 0.00 H ATOM 1500 HB2 CYS A 96 2.873 2.694 3.871 1.00 0.00 H ATOM 1501 HB3 CYS A 96 2.575 2.052 5.503 1.00 0.00 H ATOM 1502 H CYS A 96 0.719 0.593 5.880 1.00 0.00 H ATOM 1503 N ARG A 97 3.091 0.112 2.258 1.00 17.48 N ATOM 1504 CA ARG A 97 4.187 -0.684 1.734 1.00 14.90 C ATOM 1505 C ARG A 97 5.195 0.280 1.132 1.00 14.57 C ATOM 1506 O ARG A 97 4.839 1.386 0.702 1.00 14.23 O ATOM 1507 CB ARG A 97 3.689 -1.641 0.673 1.00 15.17 C ATOM 1508 CG ARG A 97 2.406 -2.324 1.045 1.00 14.70 C ATOM 1509 CD ARG A 97 2.038 -3.298 -0.041 1.00 16.80 C ATOM 1510 NE ARG A 97 3.024 -4.368 -0.169 1.00 15.46 N ATOM 1511 CZ ARG A 97 3.044 -5.434 0.611 1.00 13.10 C ATOM 1512 NH1 ARG A 97 2.132 -5.549 1.565 1.00 17.64 N ATOM 1513 NH2 ARG A 97 3.935 -6.394 0.417 1.00 13.65 N ATOM 1514 HA ARG A 97 4.640 -1.277 2.528 1.00 0.00 H ATOM 1515 HB2 ARG A 97 3.529 -1.083 -0.249 1.00 0.00 H ATOM 1516 HB3 ARG A 97 4.451 -2.402 0.508 1.00 0.00 H ATOM 1517 HG2 ARG A 97 2.535 -2.858 1.987 1.00 0.00 H ATOM 1518 HG3 ARG A 97 1.615 -1.582 1.155 1.00 0.00 H ATOM 1519 HD2 ARG A 97 1.973 -2.763 -0.988 1.00 0.00 H ATOM 1520 HD3 ARG A 97 1.069 -3.738 0.193 1.00 0.00 H ATOM 1521 HE ARG A 97 3.747 -4.286 -0.912 1.00 0.00 H ATOM 1522 HH12 ARG A 97 2.133 -6.382 2.188 1.00 0.00 H ATOM 1523 HH11 ARG A 97 1.415 -4.807 1.691 1.00 0.00 H ATOM 1524 HH22 ARG A 97 3.943 -7.229 1.036 1.00 0.00 H ATOM 1525 HH21 ARG A 97 4.627 -6.313 -0.355 1.00 0.00 H ATOM 1526 H ARG A 97 2.566 0.732 1.608 1.00 0.00 H ATOM 1527 N TYR A 98 6.453 -0.137 1.114 1.00 13.34 N ATOM 1528 CA TYR A 98 7.531 0.703 0.613 1.00 11.54 C ATOM 1529 C TYR A 98 8.451 -0.067 -0.313 1.00 11.55 C ATOM 1530 O TYR A 98 8.484 -1.291 -0.290 1.00 11.44 O ATOM 1531 CB TYR A 98 8.392 1.205 1.782 1.00 10.30 C ATOM 1532 CG TYR A 98 7.753 2.249 2.679 1.00 12.04 C ATOM 1533 CD1 TYR A 98 6.758 1.898 3.603 1.00 10.83 C ATOM 1534 CD2 TYR A 98 8.129 3.596 2.585 1.00 12.22 C ATOM 1535 CE1 TYR A 98 6.150 2.864 4.401 1.00 11.77 C ATOM 1536 CE2 TYR A 98 7.528 4.572 3.379 1.00 12.35 C ATOM 1537 CZ TYR A 98 6.537 4.205 4.281 1.00 12.28 C ATOM 1538 OH TYR A 98 5.913 5.188 5.029 1.00 13.55 O ATOM 1539 HA TYR A 98 7.066 1.529 0.075 1.00 0.00 H ATOM 1540 HB3 TYR A 98 9.302 1.635 1.365 1.00 0.00 H ATOM 1541 HB2 TYR A 98 8.648 0.345 2.401 1.00 0.00 H ATOM 1542 HD2 TYR A 98 8.906 3.886 1.878 1.00 0.00 H ATOM 1543 HE2 TYR A 98 7.833 5.615 3.293 1.00 0.00 H ATOM 1544 HE1 TYR A 98 5.377 2.578 5.115 1.00 0.00 H ATOM 1545 HD1 TYR A 98 6.456 0.855 3.698 1.00 0.00 H ATOM 1546 HH TYR A 98 5.470 5.832 4.421 1.00 0.00 H ATOM 1547 H TYR A 98 6.676 -1.090 1.467 1.00 0.00 H ATOM 1548 N ALA A 99 9.212 0.666 -1.117 1.00 10.99 N ATOM 1549 CA ALA A 99 10.218 0.053 -1.974 1.00 10.09 C ATOM 1550 C ALA A 99 11.524 0.375 -1.236 1.00 10.44 C ATOM 1551 O ALA A 99 11.534 1.240 -0.356 1.00 10.37 O ATOM 1552 CB ALA A 99 10.215 0.698 -3.363 1.00 7.83 C ATOM 1553 HA ALA A 99 10.057 -1.012 -2.138 1.00 0.00 H ATOM 1554 HB1 ALA A 99 9.235 0.566 -3.821 1.00 0.00 H ATOM 1555 HB2 ALA A 99 10.434 1.762 -3.269 1.00 0.00 H ATOM 1556 HB3 ALA A 99 10.974 0.223 -3.984 1.00 0.00 H ATOM 1557 H ALA A 99 9.087 1.698 -1.135 1.00 0.00 H ATOM 1558 N GLN A 100 12.598 -0.346 -1.556 1.00 9.21 N ATOM 1559 CA GLN A 100 13.905 -0.111 -0.962 1.00 10.15 C ATOM 1560 C GLN A 100 14.901 0.107 -2.088 1.00 9.72 C ATOM 1561 O GLN A 100 14.933 -0.647 -3.064 1.00 9.50 O ATOM 1562 CB GLN A 100 14.364 -1.298 -0.103 1.00 11.05 C ATOM 1563 CG GLN A 100 14.124 -2.671 -0.721 1.00 13.62 C ATOM 1564 CD GLN A 100 12.928 -3.378 -0.102 1.00 15.88 C ATOM 1565 OE1 GLN A 100 12.525 -3.067 1.024 1.00 15.12 O ATOM 1566 NE2 GLN A 100 12.353 -4.332 -0.837 1.00 14.90 N ATOM 1567 HA GLN A 100 13.843 0.761 -0.311 1.00 0.00 H ATOM 1568 HB2 GLN A 100 15.433 -1.191 0.079 1.00 0.00 H ATOM 1569 HB3 GLN A 100 13.829 -1.256 0.846 1.00 0.00 H ATOM 1570 HG2 GLN A 100 13.946 -2.549 -1.789 1.00 0.00 H ATOM 1571 HG3 GLN A 100 15.012 -3.285 -0.570 1.00 0.00 H ATOM 1572 HE22 GLN A 100 12.728 -4.559 -1.780 1.00 0.00 H ATOM 1573 HE21 GLN A 100 11.530 -4.849 -0.467 1.00 0.00 H ATOM 1574 H GLN A 100 12.498 -1.107 -2.258 1.00 0.00 H ATOM 1575 N THR A 101 15.712 1.146 -1.948 1.00 9.55 N ATOM 1576 CA THR A 101 16.716 1.478 -2.950 1.00 11.96 C ATOM 1577 C THR A 101 18.075 1.605 -2.272 1.00 12.59 C ATOM 1578 O THR A 101 18.315 2.555 -1.512 1.00 12.64 O ATOM 1579 CB THR A 101 16.399 2.819 -3.661 1.00 12.64 C ATOM 1580 OG1 THR A 101 15.161 2.716 -4.369 1.00 13.98 O ATOM 1581 CG2 THR A 101 17.502 3.177 -4.640 1.00 14.55 C ATOM 1582 HA THR A 101 16.718 0.682 -3.695 1.00 0.00 H ATOM 1583 HB THR A 101 16.326 3.599 -2.903 1.00 0.00 H ATOM 1584 HG1 THR A 101 14.967 3.576 -4.819 1.00 0.00 H ATOM 1585 HG23 THR A 101 18.449 3.257 -4.106 1.00 0.00 H ATOM 1586 HG21 THR A 101 17.577 2.400 -5.401 1.00 0.00 H ATOM 1587 HG22 THR A 101 17.270 4.130 -5.114 1.00 0.00 H ATOM 1588 H THR A 101 15.629 1.741 -1.099 1.00 0.00 H ATOM 1589 N PRO A 102 18.977 0.639 -2.529 1.00 12.24 N ATOM 1590 CA PRO A 102 20.326 0.619 -1.956 1.00 11.97 C ATOM 1591 C PRO A 102 21.248 1.554 -2.723 1.00 12.79 C ATOM 1592 O PRO A 102 21.152 1.654 -3.941 1.00 14.08 O ATOM 1593 CB PRO A 102 20.750 -0.842 -2.095 1.00 11.27 C ATOM 1594 CG PRO A 102 20.031 -1.308 -3.315 1.00 11.08 C ATOM 1595 CD PRO A 102 18.729 -0.533 -3.393 1.00 10.95 C ATOM 1596 HA PRO A 102 20.364 0.963 -0.922 1.00 0.00 H ATOM 1597 HD3 PRO A 102 18.518 -0.225 -4.417 1.00 0.00 H ATOM 1598 HD2 PRO A 102 17.897 -1.128 -3.015 1.00 0.00 H ATOM 1599 HG3 PRO A 102 19.826 -2.376 -3.243 1.00 0.00 H ATOM 1600 HG2 PRO A 102 20.635 -1.114 -4.201 1.00 0.00 H ATOM 1601 HB2 PRO A 102 21.829 -0.922 -2.226 1.00 0.00 H ATOM 1602 HB3 PRO A 102 20.447 -1.419 -1.221 1.00 0.00 H ATOM 1603 N ALA A 103 22.136 2.240 -2.013 1.00 12.32 N ATOM 1604 CA ALA A 103 23.081 3.161 -2.644 1.00 12.28 C ATOM 1605 C ALA A 103 24.264 3.421 -1.735 1.00 13.36 C ATOM 1606 O ALA A 103 24.262 3.042 -0.575 1.00 14.52 O ATOM 1607 CB ALA A 103 22.397 4.479 -2.981 1.00 11.85 C ATOM 1608 HA ALA A 103 23.438 2.698 -3.564 1.00 0.00 H ATOM 1609 HB1 ALA A 103 21.571 4.293 -3.667 1.00 0.00 H ATOM 1610 HB2 ALA A 103 22.016 4.933 -2.066 1.00 0.00 H ATOM 1611 HB3 ALA A 103 23.116 5.151 -3.450 1.00 0.00 H ATOM 1612 H ALA A 103 22.160 2.119 -0.980 1.00 0.00 H ATOM 1613 N ASN A 104 25.279 4.067 -2.286 1.00 13.83 N ATOM 1614 CA ASN A 104 26.483 4.412 -1.553 1.00 15.21 C ATOM 1615 C ASN A 104 26.671 5.903 -1.760 1.00 15.50 C ATOM 1616 O ASN A 104 27.032 6.330 -2.850 1.00 15.46 O ATOM 1617 CB ASN A 104 27.680 3.667 -2.129 1.00 18.56 C ATOM 1618 CG ASN A 104 28.250 2.675 -1.165 1.00 22.31 C ATOM 1619 OD1 ASN A 104 27.691 1.599 -0.967 1.00 25.52 O ATOM 1620 ND2 ASN A 104 29.369 3.029 -0.544 1.00 25.91 N ATOM 1621 HA ASN A 104 26.400 4.147 -0.499 1.00 0.00 H ATOM 1622 HB2 ASN A 104 27.365 3.140 -3.029 1.00 0.00 H ATOM 1623 HB3 ASN A 104 28.453 4.391 -2.385 1.00 0.00 H ATOM 1624 HD22 ASN A 104 29.806 3.951 -0.745 1.00 0.00 H ATOM 1625 HD21 ASN A 104 29.809 2.384 0.143 1.00 0.00 H ATOM 1626 H ASN A 104 25.211 4.339 -3.287 1.00 0.00 H ATOM 1627 N MET A 105 26.396 6.698 -0.731 1.00 15.84 N ATOM 1628 CA MET A 105 26.531 8.142 -0.864 1.00 15.32 C ATOM 1629 C MET A 105 27.010 8.812 0.415 1.00 15.34 C ATOM 1630 O MET A 105 27.142 8.184 1.475 1.00 12.67 O ATOM 1631 CB MET A 105 25.194 8.769 -1.282 1.00 16.03 C ATOM 1632 CG MET A 105 24.440 7.980 -2.347 1.00 18.25 C ATOM 1633 SD MET A 105 22.732 8.480 -2.540 1.00 23.91 S ATOM 1634 CE MET A 105 22.933 10.282 -2.672 1.00 21.86 C ATOM 1635 HA MET A 105 27.286 8.308 -1.632 1.00 0.00 H ATOM 1636 HB2 MET A 105 24.560 8.844 -0.399 1.00 0.00 H ATOM 1637 HB3 MET A 105 25.391 9.768 -1.672 1.00 0.00 H ATOM 1638 HG2 MET A 105 24.461 6.925 -2.073 1.00 0.00 H ATOM 1639 HG3 MET A 105 24.949 8.117 -3.301 1.00 0.00 H ATOM 1640 HE1 MET A 105 23.404 10.661 -1.765 1.00 0.00 H ATOM 1641 HE2 MET A 105 23.560 10.514 -3.533 1.00 0.00 H ATOM 1642 HE3 MET A 105 21.955 10.747 -2.797 1.00 0.00 H ATOM 1643 H MET A 105 26.083 6.288 0.172 1.00 0.00 H ATOM 1644 N PHE A 106 27.279 10.105 0.295 1.00 14.24 N ATOM 1645 CA PHE A 106 27.714 10.886 1.436 1.00 14.88 C ATOM 1646 C PHE A 106 26.453 11.327 2.138 1.00 13.32 C ATOM 1647 O PHE A 106 25.369 11.302 1.558 1.00 12.16 O ATOM 1648 CB PHE A 106 28.458 12.145 0.993 1.00 14.57 C ATOM 1649 CG PHE A 106 29.692 11.882 0.212 1.00 15.69 C ATOM 1650 CD1 PHE A 106 30.913 11.727 0.857 1.00 16.00 C ATOM 1651 CD2 PHE A 106 29.648 11.843 -1.175 1.00 17.61 C ATOM 1652 CE1 PHE A 106 32.079 11.543 0.124 1.00 19.05 C ATOM 1653 CE2 PHE A 106 30.811 11.657 -1.919 1.00 18.26 C ATOM 1654 CZ PHE A 106 32.024 11.509 -1.268 1.00 17.66 C ATOM 1655 HA PHE A 106 28.380 10.294 2.064 1.00 0.00 H ATOM 1656 HB2 PHE A 106 27.784 12.741 0.377 1.00 0.00 H ATOM 1657 HB3 PHE A 106 28.731 12.711 1.883 1.00 0.00 H ATOM 1658 HD2 PHE A 106 28.693 11.959 -1.687 1.00 0.00 H ATOM 1659 HE2 PHE A 106 30.766 11.628 -3.008 1.00 0.00 H ATOM 1660 HZ PHE A 106 32.937 11.366 -1.845 1.00 0.00 H ATOM 1661 HE1 PHE A 106 33.034 11.426 0.636 1.00 0.00 H ATOM 1662 HD1 PHE A 106 30.956 11.750 1.946 1.00 0.00 H ATOM 1663 H PHE A 106 27.176 10.566 -0.632 1.00 0.00 H ATOM 1664 N TYR A 107 26.587 11.733 3.389 1.00 13.17 N ATOM 1665 CA TYR A 107 25.432 12.233 4.100 1.00 12.75 C ATOM 1666 C TYR A 107 25.823 13.519 4.802 1.00 11.53 C ATOM 1667 O TYR A 107 26.996 13.735 5.132 1.00 9.54 O ATOM 1668 CB TYR A 107 24.884 11.202 5.102 1.00 12.13 C ATOM 1669 CG TYR A 107 25.838 10.745 6.193 1.00 11.31 C ATOM 1670 CD1 TYR A 107 26.544 9.555 6.062 1.00 11.80 C ATOM 1671 CD2 TYR A 107 25.964 11.459 7.396 1.00 10.32 C ATOM 1672 CE1 TYR A 107 27.348 9.072 7.093 1.00 12.45 C ATOM 1673 CE2 TYR A 107 26.772 10.981 8.445 1.00 11.71 C ATOM 1674 CZ TYR A 107 27.458 9.781 8.282 1.00 12.82 C ATOM 1675 OH TYR A 107 28.235 9.253 9.294 1.00 13.55 O ATOM 1676 HA TYR A 107 24.630 12.425 3.388 1.00 0.00 H ATOM 1677 HB3 TYR A 107 24.579 10.321 4.538 1.00 0.00 H ATOM 1678 HB2 TYR A 107 24.012 11.641 5.587 1.00 0.00 H ATOM 1679 HD2 TYR A 107 25.427 12.399 7.519 1.00 0.00 H ATOM 1680 HE2 TYR A 107 26.859 11.544 9.374 1.00 0.00 H ATOM 1681 HE1 TYR A 107 27.892 8.136 6.966 1.00 0.00 H ATOM 1682 HD1 TYR A 107 26.467 8.988 5.134 1.00 0.00 H ATOM 1683 HH TYR A 107 28.638 8.402 8.989 1.00 0.00 H ATOM 1684 H TYR A 107 27.515 11.693 3.857 1.00 0.00 H ATOM 1685 N ILE A 108 24.830 14.388 4.977 1.00 11.46 N ATOM 1686 CA ILE A 108 25.015 15.656 5.661 1.00 11.56 C ATOM 1687 C ILE A 108 24.040 15.639 6.835 1.00 10.39 C ATOM 1688 O ILE A 108 22.843 15.488 6.654 1.00 10.50 O ATOM 1689 CB ILE A 108 24.720 16.848 4.718 1.00 11.08 C ATOM 1690 CG1 ILE A 108 25.757 16.864 3.587 1.00 11.04 C ATOM 1691 CG2 ILE A 108 24.780 18.157 5.497 1.00 9.55 C ATOM 1692 CD1 ILE A 108 25.385 17.723 2.396 1.00 11.97 C ATOM 1693 HA ILE A 108 26.045 15.779 5.996 1.00 0.00 H ATOM 1694 HB ILE A 108 23.721 16.739 4.296 1.00 0.00 H ATOM 1695 HG12 ILE A 108 26.697 17.237 3.994 1.00 0.00 H ATOM 1696 HG13 ILE A 108 25.894 15.841 3.238 1.00 0.00 H ATOM 1697 HD11 ILE A 108 24.453 17.358 1.964 1.00 0.00 H ATOM 1698 HD12 ILE A 108 25.257 18.756 2.720 1.00 0.00 H ATOM 1699 HD13 ILE A 108 26.178 17.671 1.650 1.00 0.00 H ATOM 1700 HG21 ILE A 108 24.037 18.138 6.295 1.00 0.00 H ATOM 1701 HG22 ILE A 108 25.774 18.277 5.927 1.00 0.00 H ATOM 1702 HG23 ILE A 108 24.571 18.989 4.824 1.00 0.00 H ATOM 1703 H ILE A 108 23.886 14.150 4.610 1.00 0.00 H ATOM 1704 N VAL A 109 24.569 15.753 8.045 1.00 9.92 N ATOM 1705 CA VAL A 109 23.739 15.730 9.237 1.00 8.86 C ATOM 1706 C VAL A 109 23.822 17.024 10.023 1.00 7.12 C ATOM 1707 O VAL A 109 24.890 17.627 10.147 1.00 7.59 O ATOM 1708 CB VAL A 109 24.139 14.582 10.235 1.00 8.64 C ATOM 1709 CG1 VAL A 109 23.446 13.294 9.859 1.00 12.92 C ATOM 1710 CG2 VAL A 109 25.661 14.399 10.269 1.00 9.96 C ATOM 1711 HA VAL A 109 22.730 15.570 8.856 1.00 0.00 H ATOM 1712 HB VAL A 109 23.814 14.864 11.237 1.00 0.00 H ATOM 1713 HG11 VAL A 109 22.366 13.439 9.898 1.00 0.00 H ATOM 1714 HG12 VAL A 109 23.739 13.006 8.849 1.00 0.00 H ATOM 1715 HG13 VAL A 109 23.734 12.510 10.560 1.00 0.00 H ATOM 1716 HG21 VAL A 109 26.017 14.140 9.272 1.00 0.00 H ATOM 1717 HG22 VAL A 109 26.130 15.328 10.593 1.00 0.00 H ATOM 1718 HG23 VAL A 109 25.914 13.600 10.966 1.00 0.00 H ATOM 1719 H VAL A 109 25.599 15.861 8.143 1.00 0.00 H ATOM 1720 N ALA A 110 22.672 17.442 10.538 1.00 8.77 N ATOM 1721 CA ALA A 110 22.584 18.618 11.389 1.00 7.71 C ATOM 1722 C ALA A 110 22.839 18.039 12.781 1.00 8.66 C ATOM 1723 O ALA A 110 22.299 16.984 13.138 1.00 9.06 O ATOM 1724 CB ALA A 110 21.204 19.221 11.322 1.00 8.21 C ATOM 1725 HA ALA A 110 23.277 19.411 11.106 1.00 0.00 H ATOM 1726 HB1 ALA A 110 20.985 19.511 10.294 1.00 0.00 H ATOM 1727 HB2 ALA A 110 20.471 18.487 11.657 1.00 0.00 H ATOM 1728 HB3 ALA A 110 21.161 20.099 11.966 1.00 0.00 H ATOM 1729 H ALA A 110 21.804 16.910 10.326 1.00 0.00 H ATOM 1730 N CYS A 111 23.689 18.703 13.550 1.00 9.32 N ATOM 1731 CA CYS A 111 24.008 18.240 14.890 1.00 9.88 C ATOM 1732 C CYS A 111 23.803 19.369 15.871 1.00 11.45 C ATOM 1733 O CYS A 111 23.910 20.555 15.521 1.00 11.00 O ATOM 1734 CB CYS A 111 25.452 17.730 14.964 1.00 8.03 C ATOM 1735 SG CYS A 111 25.781 16.420 13.750 1.00 10.09 S ATOM 1736 HA CYS A 111 23.346 17.412 15.143 1.00 0.00 H ATOM 1737 HB2 CYS A 111 25.635 17.336 15.964 1.00 0.00 H ATOM 1738 HB3 CYS A 111 26.129 18.563 14.774 1.00 0.00 H ATOM 1739 H CYS A 111 24.135 19.570 13.189 1.00 0.00 H ATOM 1740 N ASP A 112 23.512 18.992 17.106 1.00 11.40 N ATOM 1741 CA ASP A 112 23.261 19.957 18.150 1.00 13.45 C ATOM 1742 C ASP A 112 23.724 19.426 19.485 1.00 12.37 C ATOM 1743 O ASP A 112 24.085 18.257 19.604 1.00 12.31 O ATOM 1744 CB ASP A 112 21.763 20.209 18.230 1.00 17.76 C ATOM 1745 CG ASP A 112 21.416 21.647 18.041 1.00 25.07 C ATOM 1746 OD1 ASP A 112 21.761 22.455 18.940 1.00 28.95 O ATOM 1747 OD2 ASP A 112 20.806 21.964 16.997 1.00 26.07 O ATOM 1748 HA ASP A 112 23.802 20.875 17.920 1.00 0.00 H ATOM 1749 HB2 ASP A 112 21.268 19.625 17.455 1.00 0.00 H ATOM 1750 HB3 ASP A 112 21.406 19.888 19.209 1.00 0.00 H ATOM 1751 H ASP A 112 23.463 17.977 17.329 1.00 0.00 H ATOM 1752 N ASN A 113 23.722 20.295 20.489 1.00 9.60 N ATOM 1753 CA ASN A 113 24.056 19.865 21.831 1.00 10.28 C ATOM 1754 C ASN A 113 22.922 18.942 22.263 1.00 8.63 C ATOM 1755 O ASN A 113 21.771 19.134 21.872 1.00 8.14 O ATOM 1756 CB ASN A 113 24.135 21.055 22.770 1.00 11.05 C ATOM 1757 CG ASN A 113 25.381 21.827 22.567 1.00 15.90 C ATOM 1758 OD1 ASN A 113 26.433 21.247 22.265 1.00 17.72 O ATOM 1759 ND2 ASN A 113 25.294 23.146 22.709 1.00 17.26 N ATOM 1760 HA ASN A 113 25.025 19.366 21.857 1.00 0.00 H ATOM 1761 HB2 ASN A 113 23.281 21.707 22.588 1.00 0.00 H ATOM 1762 HB3 ASN A 113 24.104 20.697 23.799 1.00 0.00 H ATOM 1763 HD22 ASN A 113 24.385 23.583 22.964 1.00 0.00 H ATOM 1764 HD21 ASN A 113 26.135 23.741 22.565 1.00 0.00 H ATOM 1765 H ASN A 113 23.479 21.290 20.311 1.00 0.00 H ATOM 1766 N ARG A 114 23.261 17.942 23.059 1.00 9.10 N ATOM 1767 CA ARG A 114 22.299 16.968 23.533 1.00 9.85 C ATOM 1768 C ARG A 114 21.183 17.564 24.396 1.00 11.21 C ATOM 1769 O ARG A 114 21.294 18.688 24.893 1.00 8.58 O ATOM 1770 CB ARG A 114 23.033 15.879 24.320 1.00 9.08 C ATOM 1771 CG ARG A 114 23.431 16.291 25.730 1.00 8.35 C ATOM 1772 CD ARG A 114 24.042 15.131 26.497 1.00 10.30 C ATOM 1773 NE ARG A 114 24.599 15.589 27.767 1.00 12.04 N ATOM 1774 CZ ARG A 114 23.910 15.665 28.904 1.00 13.69 C ATOM 1775 NH1 ARG A 114 22.633 15.310 28.940 1.00 14.58 N ATOM 1776 NH2 ARG A 114 24.491 16.120 30.006 1.00 12.24 N ATOM 1777 HA ARG A 114 21.811 16.556 22.650 1.00 0.00 H ATOM 1778 HB2 ARG A 114 22.381 15.008 24.389 1.00 0.00 H ATOM 1779 HB3 ARG A 114 23.937 15.612 23.773 1.00 0.00 H ATOM 1780 HG2 ARG A 114 24.159 17.100 25.671 1.00 0.00 H ATOM 1781 HG3 ARG A 114 22.545 16.640 26.261 1.00 0.00 H ATOM 1782 HD2 ARG A 114 24.836 14.684 25.898 1.00 0.00 H ATOM 1783 HD3 ARG A 114 23.272 14.385 26.692 1.00 0.00 H ATOM 1784 HE ARG A 114 25.599 15.874 27.785 1.00 0.00 H ATOM 1785 HH12 ARG A 114 22.101 15.372 29.831 1.00 0.00 H ATOM 1786 HH11 ARG A 114 22.163 14.970 28.077 1.00 0.00 H ATOM 1787 HH22 ARG A 114 23.951 16.178 30.893 1.00 0.00 H ATOM 1788 HH21 ARG A 114 25.487 16.418 29.983 1.00 0.00 H ATOM 1789 H ARG A 114 24.254 17.851 23.355 1.00 0.00 H ATOM 1790 N ASP A 115 20.102 16.797 24.532 1.00 12.31 N ATOM 1791 CA ASP A 115 18.961 17.165 25.373 1.00 15.33 C ATOM 1792 C ASP A 115 19.501 16.987 26.792 1.00 16.27 C ATOM 1793 O ASP A 115 19.723 15.862 27.243 1.00 14.93 O ATOM 1794 CB ASP A 115 17.792 16.197 25.123 1.00 14.59 C ATOM 1795 CG ASP A 115 16.569 16.490 25.995 1.00 16.57 C ATOM 1796 OD1 ASP A 115 16.714 16.569 27.234 1.00 17.16 O ATOM 1797 OD2 ASP A 115 15.454 16.628 25.436 1.00 16.30 O ATOM 1798 HA ASP A 115 18.586 18.170 25.180 1.00 0.00 H ATOM 1799 HB2 ASP A 115 17.497 16.272 24.076 1.00 0.00 H ATOM 1800 HB3 ASP A 115 18.131 15.182 25.332 1.00 0.00 H ATOM 1801 H ASP A 115 20.067 15.894 24.017 1.00 0.00 H ATOM 1802 N GLN A 116 19.735 18.101 27.478 1.00 17.43 N ATOM 1803 CA GLN A 116 20.283 18.075 28.835 1.00 19.95 C ATOM 1804 C GLN A 116 19.667 17.054 29.797 1.00 18.40 C ATOM 1805 O GLN A 116 20.386 16.306 30.463 1.00 18.15 O ATOM 1806 CB GLN A 116 20.178 19.469 29.465 1.00 22.53 C ATOM 1807 CG GLN A 116 21.268 20.424 29.027 1.00 28.32 C ATOM 1808 CD GLN A 116 22.634 19.992 29.516 1.00 30.69 C ATOM 1809 OE1 GLN A 116 22.752 19.262 30.508 1.00 33.24 O ATOM 1810 NE2 GLN A 116 23.674 20.441 28.831 1.00 32.00 N ATOM 1811 HA GLN A 116 21.316 17.756 28.698 1.00 0.00 H ATOM 1812 HB2 GLN A 116 19.214 19.898 29.190 1.00 0.00 H ATOM 1813 HB3 GLN A 116 20.231 19.361 30.548 1.00 0.00 H ATOM 1814 HG2 GLN A 116 21.282 20.467 27.938 1.00 0.00 H ATOM 1815 HG3 GLN A 116 21.049 21.415 29.425 1.00 0.00 H ATOM 1816 HE22 GLN A 116 23.526 21.053 28.003 1.00 0.00 H ATOM 1817 HE21 GLN A 116 24.639 20.182 29.121 1.00 0.00 H ATOM 1818 H GLN A 116 19.522 19.019 27.037 1.00 0.00 H ATOM 1819 N ARG A 117 18.340 17.017 29.867 1.00 18.60 N ATOM 1820 CA ARG A 117 17.669 16.111 30.786 1.00 18.82 C ATOM 1821 C ARG A 117 17.511 14.673 30.335 1.00 17.90 C ATOM 1822 O ARG A 117 17.603 13.766 31.152 1.00 19.25 O ATOM 1823 CB ARG A 117 16.274 16.641 31.137 1.00 22.51 C ATOM 1824 CG ARG A 117 16.175 18.129 31.468 1.00 26.13 C ATOM 1825 CD ARG A 117 14.715 18.554 31.370 1.00 32.47 C ATOM 1826 NE ARG A 117 14.464 19.936 31.770 1.00 37.65 N ATOM 1827 CZ ARG A 117 13.258 20.507 31.755 1.00 40.90 C ATOM 1828 NH1 ARG A 117 12.199 19.804 31.358 1.00 40.30 N ATOM 1829 NH2 ARG A 117 13.105 21.778 32.137 1.00 41.61 N ATOM 1830 HA ARG A 117 18.344 16.087 31.641 1.00 0.00 H ATOM 1831 HB2 ARG A 117 15.621 16.446 30.286 1.00 0.00 H ATOM 1832 HB3 ARG A 117 15.916 16.084 32.003 1.00 0.00 H ATOM 1833 HG2 ARG A 117 16.542 18.306 32.479 1.00 0.00 H ATOM 1834 HG3 ARG A 117 16.773 18.703 30.760 1.00 0.00 H ATOM 1835 HD2 ARG A 117 14.125 17.900 32.012 1.00 0.00 H ATOM 1836 HD3 ARG A 117 14.393 18.434 30.336 1.00 0.00 H ATOM 1837 HE ARG A 117 15.273 20.509 32.085 1.00 0.00 H ATOM 1838 HH12 ARG A 117 11.257 20.245 31.345 1.00 0.00 H ATOM 1839 HH11 ARG A 117 12.314 18.814 31.061 1.00 0.00 H ATOM 1840 HH22 ARG A 117 12.162 22.215 32.122 1.00 0.00 H ATOM 1841 HH21 ARG A 117 13.929 22.330 32.449 1.00 0.00 H ATOM 1842 H ARG A 117 17.775 17.643 29.258 1.00 0.00 H ATOM 1843 N ARG A 118 17.291 14.450 29.046 1.00 17.05 N ATOM 1844 CA ARG A 118 17.045 13.091 28.574 1.00 16.47 C ATOM 1845 C ARG A 118 18.100 12.352 27.766 1.00 17.28 C ATOM 1846 O ARG A 118 18.064 11.115 27.689 1.00 15.03 O ATOM 1847 CB ARG A 118 15.733 13.081 27.810 1.00 16.85 C ATOM 1848 CG ARG A 118 14.591 13.647 28.637 1.00 18.92 C ATOM 1849 CD ARG A 118 13.299 13.675 27.846 1.00 16.70 C ATOM 1850 NE ARG A 118 13.342 14.671 26.782 1.00 16.46 N ATOM 1851 CZ ARG A 118 12.593 14.623 25.684 1.00 17.26 C ATOM 1852 NH1 ARG A 118 11.734 13.617 25.505 1.00 15.54 N ATOM 1853 NH2 ARG A 118 12.701 15.582 24.769 1.00 15.71 N ATOM 1854 HA ARG A 118 17.047 12.519 29.502 1.00 0.00 H ATOM 1855 HB2 ARG A 118 15.846 13.681 26.907 1.00 0.00 H ATOM 1856 HB3 ARG A 118 15.493 12.054 27.534 1.00 0.00 H ATOM 1857 HG2 ARG A 118 14.452 13.027 29.522 1.00 0.00 H ATOM 1858 HG3 ARG A 118 14.843 14.663 28.942 1.00 0.00 H ATOM 1859 HD2 ARG A 118 12.476 13.913 28.520 1.00 0.00 H ATOM 1860 HD3 ARG A 118 13.133 12.692 27.404 1.00 0.00 H ATOM 1861 HE ARG A 118 14.000 15.469 26.888 1.00 0.00 H ATOM 1862 HH12 ARG A 118 11.148 13.580 24.646 1.00 0.00 H ATOM 1863 HH11 ARG A 118 11.650 12.870 26.224 1.00 0.00 H ATOM 1864 HH22 ARG A 118 12.117 15.548 23.909 1.00 0.00 H ATOM 1865 HH21 ARG A 118 13.369 16.366 24.913 1.00 0.00 H ATOM 1866 H ARG A 118 17.294 15.243 28.373 1.00 0.00 H ATOM 1867 N ASP A 119 19.020 13.089 27.147 1.00 15.66 N ATOM 1868 CA ASP A 119 20.075 12.440 26.375 1.00 13.12 C ATOM 1869 C ASP A 119 21.204 12.023 27.313 1.00 14.18 C ATOM 1870 O ASP A 119 21.491 12.707 28.303 1.00 13.51 O ATOM 1871 CB ASP A 119 20.621 13.379 25.300 1.00 11.48 C ATOM 1872 CG ASP A 119 19.813 13.326 24.012 1.00 13.84 C ATOM 1873 OD1 ASP A 119 19.303 12.231 23.671 1.00 9.88 O ATOM 1874 OD2 ASP A 119 19.696 14.383 23.341 1.00 11.33 O ATOM 1875 HA ASP A 119 19.657 11.562 25.883 1.00 0.00 H ATOM 1876 HB2 ASP A 119 20.600 14.399 25.684 1.00 0.00 H ATOM 1877 HB3 ASP A 119 21.650 13.096 25.079 1.00 0.00 H ATOM 1878 H ASP A 119 18.987 14.126 27.214 1.00 0.00 H ATOM 1879 N PRO A 120 21.857 10.889 27.017 1.00 15.04 N ATOM 1880 CA PRO A 120 22.960 10.391 27.840 1.00 13.77 C ATOM 1881 C PRO A 120 24.136 11.355 27.781 1.00 14.09 C ATOM 1882 O PRO A 120 24.469 11.885 26.717 1.00 11.13 O ATOM 1883 CB PRO A 120 23.305 9.034 27.220 1.00 15.58 C ATOM 1884 CG PRO A 120 22.157 8.700 26.334 1.00 18.70 C ATOM 1885 CD PRO A 120 21.584 10.003 25.875 1.00 15.12 C ATOM 1886 HA PRO A 120 22.704 10.299 28.895 1.00 0.00 H ATOM 1887 HD3 PRO A 120 22.083 10.357 24.973 1.00 0.00 H ATOM 1888 HD2 PRO A 120 20.513 9.919 25.688 1.00 0.00 H ATOM 1889 HG3 PRO A 120 21.408 8.132 26.885 1.00 0.00 H ATOM 1890 HG2 PRO A 120 22.498 8.116 25.479 1.00 0.00 H ATOM 1891 HB2 PRO A 120 24.226 9.102 26.641 1.00 0.00 H ATOM 1892 HB3 PRO A 120 23.420 8.278 27.997 1.00 0.00 H ATOM 1893 N PRO A 121 24.764 11.612 28.935 1.00 13.76 N ATOM 1894 CA PRO A 121 25.907 12.520 29.002 1.00 13.54 C ATOM 1895 C PRO A 121 27.097 12.062 28.174 1.00 13.63 C ATOM 1896 O PRO A 121 27.996 12.853 27.888 1.00 13.46 O ATOM 1897 CB PRO A 121 26.230 12.591 30.490 1.00 15.37 C ATOM 1898 CG PRO A 121 25.582 11.401 31.093 1.00 15.47 C ATOM 1899 CD PRO A 121 24.396 11.079 30.258 1.00 15.38 C ATOM 1900 HA PRO A 121 25.671 13.494 28.573 1.00 0.00 H ATOM 1901 HD3 PRO A 121 24.229 10.003 30.214 1.00 0.00 H ATOM 1902 HD2 PRO A 121 23.502 11.569 30.643 1.00 0.00 H ATOM 1903 HG3 PRO A 121 25.272 11.621 32.114 1.00 0.00 H ATOM 1904 HG2 PRO A 121 26.275 10.560 31.098 1.00 0.00 H ATOM 1905 HB2 PRO A 121 27.308 12.559 30.648 1.00 0.00 H ATOM 1906 HB3 PRO A 121 25.827 13.506 30.924 1.00 0.00 H ATOM 1907 N GLN A 122 27.098 10.792 27.775 1.00 11.85 N ATOM 1908 CA GLN A 122 28.199 10.250 26.984 1.00 13.62 C ATOM 1909 C GLN A 122 28.471 11.025 25.694 1.00 12.64 C ATOM 1910 O GLN A 122 29.616 11.138 25.257 1.00 10.67 O ATOM 1911 CB GLN A 122 27.924 8.785 26.639 1.00 15.18 C ATOM 1912 CG GLN A 122 28.696 8.257 25.439 1.00 17.20 C ATOM 1913 CD GLN A 122 28.353 6.815 25.110 1.00 19.60 C ATOM 1914 OE1 GLN A 122 27.210 6.391 25.255 1.00 22.42 O ATOM 1915 NE2 GLN A 122 29.344 6.054 24.664 1.00 21.64 N ATOM 1916 HA GLN A 122 29.090 10.344 27.605 1.00 0.00 H ATOM 1917 HB2 GLN A 122 28.186 8.177 27.505 1.00 0.00 H ATOM 1918 HB3 GLN A 122 26.859 8.679 26.431 1.00 0.00 H ATOM 1919 HG2 GLN A 122 28.463 8.877 24.574 1.00 0.00 H ATOM 1920 HG3 GLN A 122 29.763 8.322 25.654 1.00 0.00 H ATOM 1921 HE22 GLN A 122 30.298 6.453 24.556 1.00 0.00 H ATOM 1922 HE21 GLN A 122 29.167 5.058 24.423 1.00 0.00 H ATOM 1923 H GLN A 122 26.301 10.175 28.031 1.00 0.00 H ATOM 1924 N TYR A 123 27.418 11.543 25.075 1.00 11.13 N ATOM 1925 CA TYR A 123 27.574 12.282 23.825 1.00 10.50 C ATOM 1926 C TYR A 123 27.084 13.725 23.936 1.00 9.24 C ATOM 1927 O TYR A 123 25.895 14.004 23.746 1.00 9.45 O ATOM 1928 CB TYR A 123 26.802 11.572 22.714 1.00 9.15 C ATOM 1929 CG TYR A 123 27.357 10.226 22.335 1.00 8.59 C ATOM 1930 CD1 TYR A 123 28.662 10.099 21.888 1.00 10.56 C ATOM 1931 CD2 TYR A 123 26.557 9.085 22.367 1.00 9.98 C ATOM 1932 CE1 TYR A 123 29.162 8.869 21.471 1.00 11.68 C ATOM 1933 CE2 TYR A 123 27.047 7.846 21.953 1.00 10.03 C ATOM 1934 CZ TYR A 123 28.349 7.747 21.504 1.00 11.29 C ATOM 1935 OH TYR A 123 28.852 6.542 21.061 1.00 12.83 O ATOM 1936 HA TYR A 123 28.639 12.312 23.595 1.00 0.00 H ATOM 1937 HB3 TYR A 123 26.815 12.208 21.829 1.00 0.00 H ATOM 1938 HB2 TYR A 123 25.773 11.436 23.047 1.00 0.00 H ATOM 1939 HD2 TYR A 123 25.529 9.162 22.722 1.00 0.00 H ATOM 1940 HE2 TYR A 123 26.408 6.964 21.984 1.00 0.00 H ATOM 1941 HE1 TYR A 123 30.191 8.788 21.119 1.00 0.00 H ATOM 1942 HD1 TYR A 123 29.308 10.977 21.862 1.00 0.00 H ATOM 1943 HH TYR A 123 29.794 6.662 20.780 1.00 0.00 H ATOM 1944 H TYR A 123 26.470 11.421 25.485 1.00 0.00 H ATOM 1945 N PRO A 124 27.987 14.659 24.261 1.00 10.15 N ATOM 1946 CA PRO A 124 27.558 16.063 24.376 1.00 9.91 C ATOM 1947 C PRO A 124 26.983 16.625 23.082 1.00 9.66 C ATOM 1948 O PRO A 124 26.107 17.486 23.113 1.00 8.67 O ATOM 1949 CB PRO A 124 28.815 16.807 24.826 1.00 9.45 C ATOM 1950 CG PRO A 124 29.964 15.874 24.538 1.00 10.70 C ATOM 1951 CD PRO A 124 29.412 14.471 24.590 1.00 9.35 C ATOM 1952 HA PRO A 124 26.736 16.172 25.083 1.00 0.00 H ATOM 1953 HD3 PRO A 124 29.902 13.830 23.857 1.00 0.00 H ATOM 1954 HD2 PRO A 124 29.531 14.040 25.584 1.00 0.00 H ATOM 1955 HG3 PRO A 124 30.745 15.998 25.288 1.00 0.00 H ATOM 1956 HG2 PRO A 124 30.375 16.079 23.550 1.00 0.00 H ATOM 1957 HB2 PRO A 124 28.929 17.735 24.266 1.00 0.00 H ATOM 1958 HB3 PRO A 124 28.764 17.031 25.892 1.00 0.00 H ATOM 1959 N VAL A 125 27.473 16.128 21.949 1.00 9.35 N ATOM 1960 CA VAL A 125 26.991 16.584 20.644 1.00 9.47 C ATOM 1961 C VAL A 125 26.376 15.389 19.912 1.00 9.75 C ATOM 1962 O VAL A 125 26.956 14.295 19.876 1.00 9.56 O ATOM 1963 CB VAL A 125 28.147 17.201 19.815 1.00 9.71 C ATOM 1964 CG1 VAL A 125 27.678 17.533 18.408 1.00 7.32 C ATOM 1965 CG2 VAL A 125 28.654 18.477 20.514 1.00 7.33 C ATOM 1966 HA VAL A 125 26.238 17.361 20.780 1.00 0.00 H ATOM 1967 HB VAL A 125 28.958 16.476 19.745 1.00 0.00 H ATOM 1968 HG11 VAL A 125 27.337 16.622 17.916 1.00 0.00 H ATOM 1969 HG12 VAL A 125 26.858 18.249 18.459 1.00 0.00 H ATOM 1970 HG13 VAL A 125 28.504 17.965 17.843 1.00 0.00 H ATOM 1971 HG21 VAL A 125 27.838 19.195 20.593 1.00 0.00 H ATOM 1972 HG22 VAL A 125 29.015 18.225 21.511 1.00 0.00 H ATOM 1973 HG23 VAL A 125 29.467 18.911 19.931 1.00 0.00 H ATOM 1974 H VAL A 125 28.214 15.400 21.991 1.00 0.00 H ATOM 1975 N VAL A 126 25.199 15.607 19.334 1.00 9.33 N ATOM 1976 CA VAL A 126 24.469 14.540 18.655 1.00 7.83 C ATOM 1977 C VAL A 126 23.788 14.936 17.343 1.00 8.34 C ATOM 1978 O VAL A 126 23.454 16.111 17.113 1.00 7.56 O ATOM 1979 CB VAL A 126 23.359 13.962 19.595 1.00 7.68 C ATOM 1980 CG1 VAL A 126 23.983 13.165 20.717 1.00 7.49 C ATOM 1981 CG2 VAL A 126 22.513 15.094 20.182 1.00 5.12 C ATOM 1982 HA VAL A 126 25.240 13.809 18.410 1.00 0.00 H ATOM 1983 HB VAL A 126 22.718 13.308 19.004 1.00 0.00 H ATOM 1984 HG11 VAL A 126 24.560 12.340 20.298 1.00 0.00 H ATOM 1985 HG12 VAL A 126 24.641 13.812 21.298 1.00 0.00 H ATOM 1986 HG13 VAL A 126 23.197 12.770 21.361 1.00 0.00 H ATOM 1987 HG21 VAL A 126 23.153 15.763 20.757 1.00 0.00 H ATOM 1988 HG22 VAL A 126 22.039 15.649 19.372 1.00 0.00 H ATOM 1989 HG23 VAL A 126 21.747 14.673 20.833 1.00 0.00 H ATOM 1990 H VAL A 126 24.788 16.562 19.366 1.00 0.00 H ATOM 1991 N PRO A 127 23.583 13.948 16.447 1.00 8.42 N ATOM 1992 CA PRO A 127 22.917 14.243 15.175 1.00 6.88 C ATOM 1993 C PRO A 127 21.440 14.428 15.514 1.00 6.80 C ATOM 1994 O PRO A 127 20.902 13.708 16.354 1.00 6.91 O ATOM 1995 CB PRO A 127 23.163 12.990 14.342 1.00 8.77 C ATOM 1996 CG PRO A 127 23.262 11.879 15.374 1.00 7.24 C ATOM 1997 CD PRO A 127 23.960 12.520 16.564 1.00 8.30 C ATOM 1998 HA PRO A 127 23.262 15.129 14.641 1.00 0.00 H ATOM 1999 HD3 PRO A 127 23.602 12.096 17.502 1.00 0.00 H ATOM 2000 HD2 PRO A 127 25.041 12.394 16.498 1.00 0.00 H ATOM 2001 HG3 PRO A 127 23.848 11.045 14.987 1.00 0.00 H ATOM 2002 HG2 PRO A 127 22.270 11.525 15.655 1.00 0.00 H ATOM 2003 HB2 PRO A 127 22.335 12.811 13.657 1.00 0.00 H ATOM 2004 HB3 PRO A 127 24.090 13.077 13.775 1.00 0.00 H ATOM 2005 N VAL A 128 20.781 15.399 14.895 1.00 7.22 N ATOM 2006 CA VAL A 128 19.369 15.640 15.172 1.00 8.14 C ATOM 2007 C VAL A 128 18.505 15.626 13.915 1.00 8.71 C ATOM 2008 O VAL A 128 17.290 15.562 14.007 1.00 10.85 O ATOM 2009 CB VAL A 128 19.170 16.984 15.918 1.00 8.38 C ATOM 2010 CG1 VAL A 128 19.805 16.898 17.299 1.00 8.89 C ATOM 2011 CG2 VAL A 128 19.786 18.136 15.125 1.00 7.10 C ATOM 2012 HA VAL A 128 19.044 14.815 15.806 1.00 0.00 H ATOM 2013 HB VAL A 128 18.102 17.175 16.023 1.00 0.00 H ATOM 2014 HG11 VAL A 128 19.333 16.095 17.865 1.00 0.00 H ATOM 2015 HG12 VAL A 128 20.871 16.694 17.195 1.00 0.00 H ATOM 2016 HG13 VAL A 128 19.664 17.844 17.822 1.00 0.00 H ATOM 2017 HG21 VAL A 128 20.854 17.957 14.997 1.00 0.00 H ATOM 2018 HG22 VAL A 128 19.307 18.200 14.148 1.00 0.00 H ATOM 2019 HG23 VAL A 128 19.635 19.070 15.667 1.00 0.00 H ATOM 2020 H VAL A 128 21.277 15.996 14.203 1.00 0.00 H ATOM 2021 N HIS A 129 19.132 15.685 12.742 1.00 9.53 N ATOM 2022 CA HIS A 129 18.403 15.655 11.472 1.00 10.45 C ATOM 2023 C HIS A 129 19.304 15.159 10.358 1.00 9.66 C ATOM 2024 O HIS A 129 20.492 15.477 10.339 1.00 9.24 O ATOM 2025 CB HIS A 129 17.910 17.054 11.061 1.00 12.51 C ATOM 2026 CG HIS A 129 16.893 17.633 11.987 1.00 16.47 C ATOM 2027 ND1 HIS A 129 15.646 17.076 12.162 1.00 16.46 N ATOM 2028 CD2 HIS A 129 16.960 18.685 12.839 1.00 17.95 C ATOM 2029 CE1 HIS A 129 14.988 17.756 13.086 1.00 17.93 C ATOM 2030 NE2 HIS A 129 15.763 18.739 13.513 1.00 16.79 N ATOM 2031 HA HIS A 129 17.552 14.991 11.621 1.00 0.00 H ATOM 2032 HB2 HIS A 129 18.768 17.725 11.030 1.00 0.00 H ATOM 2033 HB3 HIS A 129 17.469 16.984 10.067 1.00 0.00 H ATOM 2034 HD2 HIS A 129 17.805 19.362 12.966 1.00 0.00 H ATOM 2035 HE1 HIS A 129 13.978 17.542 13.436 1.00 0.00 H ATOM 2036 H HIS A 129 20.170 15.754 12.727 1.00 0.00 H ATOM 2037 N LEU A 130 18.748 14.368 9.442 1.00 9.79 N ATOM 2038 CA LEU A 130 19.517 13.909 8.290 1.00 11.68 C ATOM 2039 C LEU A 130 19.110 14.922 7.238 1.00 13.00 C ATOM 2040 O LEU A 130 18.045 14.810 6.637 1.00 12.27 O ATOM 2041 CB LEU A 130 19.104 12.506 7.835 1.00 10.95 C ATOM 2042 CG LEU A 130 19.843 11.993 6.583 1.00 11.34 C ATOM 2043 CD1 LEU A 130 21.351 12.250 6.716 1.00 10.31 C ATOM 2044 CD2 LEU A 130 19.578 10.495 6.399 1.00 9.68 C ATOM 2045 HA LEU A 130 20.586 13.842 8.492 1.00 0.00 H ATOM 2046 HB2 LEU A 130 19.298 11.812 8.653 1.00 0.00 H ATOM 2047 HB3 LEU A 130 18.036 12.520 7.618 1.00 0.00 H ATOM 2048 HG LEU A 130 19.473 12.529 5.709 1.00 0.00 H ATOM 2049 HD21 LEU A 130 19.935 9.954 7.275 1.00 0.00 H ATOM 2050 HD22 LEU A 130 18.507 10.329 6.279 1.00 0.00 H ATOM 2051 HD23 LEU A 130 20.104 10.141 5.512 1.00 0.00 H ATOM 2052 HD11 LEU A 130 21.528 13.320 6.822 1.00 0.00 H ATOM 2053 HD12 LEU A 130 21.731 11.729 7.594 1.00 0.00 H ATOM 2054 HD13 LEU A 130 21.861 11.883 5.825 1.00 0.00 H ATOM 2055 H LEU A 130 17.756 14.075 9.549 1.00 0.00 H ATOM 2056 N ASP A 131 19.954 15.919 7.021 1.00 13.41 N ATOM 2057 CA ASP A 131 19.627 16.979 6.073 1.00 15.26 C ATOM 2058 C ASP A 131 19.687 16.590 4.604 1.00 14.80 C ATOM 2059 O ASP A 131 18.892 17.085 3.785 1.00 15.87 O ATOM 2060 CB ASP A 131 20.532 18.193 6.321 1.00 13.74 C ATOM 2061 CG ASP A 131 19.989 19.458 5.684 1.00 17.61 C ATOM 2062 OD1 ASP A 131 20.334 19.715 4.514 1.00 18.91 O ATOM 2063 OD2 ASP A 131 19.217 20.188 6.344 1.00 17.90 O ATOM 2064 HA ASP A 131 18.580 17.213 6.263 1.00 0.00 H ATOM 2065 HB2 ASP A 131 20.619 18.351 7.396 1.00 0.00 H ATOM 2066 HB3 ASP A 131 21.518 17.986 5.904 1.00 0.00 H ATOM 2067 H ASP A 131 20.860 15.947 7.532 1.00 0.00 H ATOM 2068 N ARG A 132 20.600 15.688 4.268 1.00 16.26 N ATOM 2069 CA ARG A 132 20.765 15.302 2.877 1.00 19.56 C ATOM 2070 C ARG A 132 21.741 14.164 2.643 1.00 18.35 C ATOM 2071 O ARG A 132 22.623 13.902 3.457 1.00 16.85 O ATOM 2072 CB ARG A 132 21.269 16.507 2.084 1.00 20.98 C ATOM 2073 CG ARG A 132 20.908 16.500 0.625 1.00 24.78 C ATOM 2074 CD ARG A 132 20.201 17.795 0.277 1.00 26.79 C ATOM 2075 NE ARG A 132 19.736 17.811 -1.102 1.00 26.83 N ATOM 2076 CZ ARG A 132 18.743 18.573 -1.543 1.00 29.02 C ATOM 2077 NH1 ARG A 132 18.110 19.388 -0.702 1.00 28.23 N ATOM 2078 NH2 ARG A 132 18.379 18.512 -2.823 1.00 31.32 N ATOM 2079 HA ARG A 132 19.784 14.955 2.553 1.00 0.00 H ATOM 2080 HB2 ARG A 132 20.850 17.407 2.533 1.00 0.00 H ATOM 2081 HB3 ARG A 132 22.356 16.535 2.164 1.00 0.00 H ATOM 2082 HG2 ARG A 132 21.814 16.407 0.026 1.00 0.00 H ATOM 2083 HG3 ARG A 132 20.248 15.658 0.417 1.00 0.00 H ATOM 2084 HD2 ARG A 132 20.893 18.624 0.425 1.00 0.00 H ATOM 2085 HD3 ARG A 132 19.344 17.917 0.939 1.00 0.00 H ATOM 2086 HE ARG A 132 20.211 17.186 -1.784 1.00 0.00 H ATOM 2087 HH12 ARG A 132 17.331 19.986 -1.045 1.00 0.00 H ATOM 2088 HH11 ARG A 132 18.394 19.426 0.298 1.00 0.00 H ATOM 2089 HH22 ARG A 132 17.601 19.108 -3.171 1.00 0.00 H ATOM 2090 HH21 ARG A 132 18.873 17.868 -3.474 1.00 0.00 H ATOM 2091 H ARG A 132 21.198 15.257 5.001 1.00 0.00 H ATOM 2092 N ILE A 133 21.553 13.491 1.512 1.00 19.02 N ATOM 2093 CA ILE A 133 22.443 12.430 1.072 1.00 19.35 C ATOM 2094 C ILE A 133 22.822 12.941 -0.311 1.00 21.60 C ATOM 2095 O ILE A 133 21.959 13.324 -1.112 1.00 20.19 O ATOM 2096 CB ILE A 133 21.750 11.043 0.981 1.00 21.34 C ATOM 2097 CG1 ILE A 133 20.485 11.122 0.126 1.00 21.13 C ATOM 2098 CG2 ILE A 133 21.423 10.543 2.387 1.00 21.63 C ATOM 2099 CD1 ILE A 133 19.531 9.958 0.330 1.00 25.13 C ATOM 2100 HA ILE A 133 23.274 12.253 1.754 1.00 0.00 H ATOM 2101 HB ILE A 133 22.430 10.338 0.502 1.00 0.00 H ATOM 2102 HG12 ILE A 133 19.960 12.044 0.374 1.00 0.00 H ATOM 2103 HG13 ILE A 133 20.780 11.144 -0.923 1.00 0.00 H ATOM 2104 HD11 ILE A 133 20.036 9.027 0.075 1.00 0.00 H ATOM 2105 HD12 ILE A 133 19.215 9.927 1.373 1.00 0.00 H ATOM 2106 HD13 ILE A 133 18.659 10.088 -0.311 1.00 0.00 H ATOM 2107 HG21 ILE A 133 22.344 10.452 2.962 1.00 0.00 H ATOM 2108 HG22 ILE A 133 20.755 11.252 2.877 1.00 0.00 H ATOM 2109 HG23 ILE A 133 20.937 9.570 2.321 1.00 0.00 H ATOM 2110 H ILE A 133 20.735 13.734 0.917 1.00 0.00 H ATOM 2111 N ILE A 134 24.120 13.000 -0.568 1.00 23.47 N ATOM 2112 CA ILE A 134 24.624 13.508 -1.828 1.00 24.89 C ATOM 2113 C ILE A 134 25.632 12.516 -2.377 1.00 25.89 C ATOM 2114 O ILE A 134 25.956 12.638 -3.576 1.00 29.14 O ATOM 2115 CB ILE A 134 25.307 14.894 -1.641 1.00 24.89 C ATOM 2116 CG1 ILE A 134 25.196 15.351 -0.187 1.00 25.16 C ATOM 2117 CG2 ILE A 134 24.630 15.945 -2.517 1.00 26.59 C ATOM 2118 CD1 ILE A 134 26.372 14.955 0.672 1.00 28.83 C ATOM 2119 HA ILE A 134 23.791 13.634 -2.520 1.00 0.00 H ATOM 2120 OXT ILE A 134 26.075 11.629 -1.610 1.00 26.32 O ATOM 2121 HB ILE A 134 26.354 14.788 -1.923 1.00 0.00 H ATOM 2122 HG12 ILE A 134 25.112 16.438 -0.174 1.00 0.00 H ATOM 2123 HG13 ILE A 134 24.295 14.913 0.242 1.00 0.00 H ATOM 2124 HD11 ILE A 134 26.464 13.869 0.681 1.00 0.00 H ATOM 2125 HD12 ILE A 134 27.282 15.395 0.264 1.00 0.00 H ATOM 2126 HD13 ILE A 134 26.216 15.317 1.688 1.00 0.00 H ATOM 2127 HG21 ILE A 134 24.708 15.649 -3.563 1.00 0.00 H ATOM 2128 HG22 ILE A 134 23.579 16.026 -2.238 1.00 0.00 H ATOM 2129 HG23 ILE A 134 25.121 16.907 -2.373 1.00 0.00 H ATOM 2130 H ILE A 134 24.795 12.673 0.153 1.00 0.00 H TER 2131 ILE A 134 HETATM 2132 O HOH 1 7.730 15.317 9.955 1.00 33.11 O HETATM 2133 O HOH 2 12.067 20.614 21.824 1.00 29.82 O HETATM 2134 O HOH 3 9.323 19.974 20.490 1.00 27.79 O HETATM 2135 O HOH 4 17.053 15.544 0.826 1.00 28.99 O HETATM 2136 O HOH 5 7.386 -10.210 12.892 1.00 46.40 O HETATM 2137 O HOH 6 5.022 19.068 12.916 1.00 28.81 O HETATM 2138 O HOH 7 5.328 15.458 20.343 1.00 13.96 O HETATM 2139 O HOH 8 12.331 17.465 22.132 1.00 11.00 O HETATM 2140 O HOH 9 8.760 17.041 19.868 1.00 16.32 O HETATM 2141 O HOH 10 7.985 16.726 17.131 1.00 16.15 O HETATM 2142 O HOH 11 2.871 4.958 21.078 1.00 36.36 O HETATM 2143 O HOH 12 9.024 -8.433 13.694 1.00 47.26 O HETATM 2144 O HOH 13 4.350 6.689 20.921 1.00 13.64 O HETATM 2145 O HOH 14 34.619 6.228 8.579 1.00 28.55 O HETATM 2146 O HOH 15 16.838 -3.804 15.540 1.00 22.04 O HETATM 2147 O HOH 16 10.591 -6.887 10.929 1.00 34.00 O HETATM 2148 O HOH 17 22.093 -3.171 1.911 1.00 26.34 O HETATM 2149 O HOH 18 24.205 -7.236 3.748 1.00 32.72 O HETATM 2150 O HOH 19 11.166 30.508 5.297 1.00 44.55 O HETATM 2151 O HOH 20 19.588 6.906 24.413 1.00 37.41 O HETATM 2152 O HOH 21 10.365 13.736 12.141 1.00 16.11 O HETATM 2153 O HOH 22 5.506 -8.090 15.213 1.00 47.94 O HETATM 2154 O HOH 23 19.468 4.872 21.844 1.00 25.76 O HETATM 2155 O HOH 24 20.247 2.182 19.078 1.00 25.33 O HETATM 2156 O HOH 25 12.842 16.764 -5.580 1.00 34.93 O HETATM 2157 O HOH 26 15.924 11.455 -5.811 1.00 41.17 O HETATM 2158 O HOH 27 26.813 -2.580 4.940 1.00 30.92 O HETATM 2159 O HOH 28 32.244 6.689 7.056 1.00 25.13 O HETATM 2160 O HOH 29 32.554 7.692 9.408 1.00 19.53 O HETATM 2161 O HOH 30 22.054 1.216 10.421 1.00 20.51 O HETATM 2162 O HOH 31 21.975 2.141 17.308 1.00 25.30 O HETATM 2163 O HOH 32 17.680 -1.448 14.031 1.00 14.00 O HETATM 2164 O HOH 33 15.692 3.339 17.591 1.00 12.03 O HETATM 2165 O HOH 34 13.798 2.181 13.929 1.00 7.37 O HETATM 2166 O HOH 35 21.267 -0.194 14.352 1.00 9.22 O HETATM 2167 O HOH 36 34.504 9.406 8.731 1.00 22.06 O HETATM 2168 O HOH 37 18.604 -3.769 9.253 1.00 14.57 O HETATM 2169 O HOH 38 14.765 -5.857 14.705 1.00 11.53 O HETATM 2170 O HOH 39 10.487 -3.741 12.977 1.00 27.09 O HETATM 2171 O HOH 40 13.252 -7.558 11.980 1.00 21.35 O HETATM 2172 O HOH 41 38.709 13.180 9.931 1.00 35.10 O HETATM 2173 O HOH 42 17.872 -4.181 1.959 1.00 11.27 O HETATM 2174 O HOH 43 16.349 -7.856 8.281 1.00 13.04 O HETATM 2175 O HOH 44 20.022 -3.976 2.939 1.00 28.51 O HETATM 2176 O HOH 45 21.961 -7.911 3.117 1.00 18.59 O HETATM 2177 O HOH 46 9.848 -5.842 -1.034 1.00 19.02 O HETATM 2178 O HOH 47 19.945 31.014 2.124 1.00 42.53 O HETATM 2179 O HOH 48 14.221 28.974 5.025 1.00 29.47 O HETATM 2180 O HOH 49 12.468 25.773 5.386 1.00 43.36 O HETATM 2181 O HOH 50 18.450 27.406 0.223 1.00 39.48 O HETATM 2182 O HOH 51 5.266 0.065 6.390 1.00 14.18 O HETATM 2183 O HOH 52 35.848 9.272 6.338 1.00 20.99 O HETATM 2184 O HOH 53 7.941 -3.194 12.422 1.00 24.34 O HETATM 2185 O HOH 54 34.906 11.900 -2.795 1.00 38.30 O HETATM 2186 O HOH 55 30.827 2.419 5.485 1.00 24.87 O HETATM 2187 O HOH 56 12.756 0.509 11.752 1.00 7.91 O HETATM 2188 O HOH 57 3.037 -0.287 10.264 1.00 36.47 O HETATM 2189 O HOH 58 5.078 -6.602 11.532 1.00 45.29 O HETATM 2190 O HOH 59 -2.853 -0.326 13.855 1.00 57.58 O HETATM 2191 O HOH 60 2.498 -3.395 13.484 1.00 45.05 O HETATM 2192 O HOH 61 -3.240 7.515 15.340 1.00 14.36 O HETATM 2193 O HOH 62 7.479 13.481 5.647 1.00 41.72 O HETATM 2194 O HOH 63 22.612 26.587 18.324 1.00 57.32 O HETATM 2195 O HOH 64 18.439 19.887 19.052 1.00 25.09 O HETATM 2196 O HOH 65 -0.557 7.859 6.182 1.00 25.48 O HETATM 2197 O HOH 66 1.644 9.516 3.262 1.00 28.88 O HETATM 2198 O HOH 67 17.759 24.278 26.017 1.00 41.88 O HETATM 2199 O HOH 68 8.915 11.898 3.576 1.00 17.69 O HETATM 2200 O HOH 69 13.178 9.473 -3.846 1.00 29.04 O HETATM 2201 O HOH 70 13.815 10.903 2.462 1.00 21.00 O HETATM 2202 O HOH 71 11.310 13.600 -3.460 1.00 36.05 O HETATM 2203 O HOH 72 16.901 11.738 2.465 1.00 32.15 O HETATM 2204 O HOH 73 15.358 10.641 5.138 1.00 16.60 O HETATM 2205 O HOH 74 27.875 -0.867 6.785 1.00 19.03 O HETATM 2206 O HOH 75 30.773 5.039 8.394 1.00 15.12 O HETATM 2207 O HOH 76 29.431 6.834 8.861 1.00 16.31 O HETATM 2208 O HOH 77 24.582 2.426 16.122 1.00 22.86 O HETATM 2209 O HOH 78 31.482 9.057 18.522 1.00 17.92 O HETATM 2210 O HOH 79 27.311 3.339 18.023 1.00 13.78 O HETATM 2211 O HOH 80 32.787 8.939 11.758 1.00 12.54 O HETATM 2212 O HOH 81 33.280 6.203 15.117 1.00 16.12 O HETATM 2213 O HOH 82 36.195 12.369 18.038 1.00 8.99 O HETATM 2214 O HOH 83 36.889 9.155 17.506 1.00 35.38 O HETATM 2215 O HOH 84 35.237 14.578 13.317 1.00 25.53 O HETATM 2216 O HOH 85 32.964 11.265 19.503 1.00 13.39 O HETATM 2217 O HOH 86 34.334 12.000 9.005 1.00 16.06 O HETATM 2218 O HOH 87 37.394 16.275 10.592 1.00 31.36 O HETATM 2219 O HOH 88 31.523 18.882 7.171 1.00 12.74 O HETATM 2220 O HOH 89 31.578 24.599 15.252 1.00 24.64 O HETATM 2221 O HOH 90 32.528 26.317 8.818 1.00 16.74 O HETATM 2222 O HOH 91 33.241 25.696 13.788 1.00 21.82 O HETATM 2223 O HOH 92 13.234 21.619 4.006 1.00 41.39 O HETATM 2224 O HOH 93 15.084 22.875 7.522 1.00 22.96 O HETATM 2225 O HOH 94 16.110 26.381 3.328 1.00 35.12 O HETATM 2226 O HOH 95 22.930 30.270 2.722 1.00 37.66 O HETATM 2227 O HOH 96 15.876 29.510 11.258 1.00 36.20 O HETATM 2228 O HOH 97 22.636 27.628 12.574 1.00 20.43 O HETATM 2229 O HOH 98 18.935 21.457 13.564 1.00 23.40 O HETATM 2230 O HOH 99 19.509 22.367 10.814 1.00 13.96 O HETATM 2231 O HOH 100 26.585 21.352 14.765 1.00 10.53 O HETATM 2232 O HOH 101 33.583 16.606 5.685 1.00 24.07 O HETATM 2233 O HOH 102 32.628 9.350 7.296 1.00 16.36 O HETATM 2234 O HOH 103 35.861 10.398 -0.026 1.00 43.05 O HETATM 2235 O HOH 104 28.106 7.824 -5.368 1.00 46.96 O HETATM 2236 O HOH 105 33.989 7.704 -0.297 1.00 19.74 O HETATM 2237 O HOH 106 32.339 4.751 4.781 1.00 15.40 O HETATM 2238 O HOH 107 31.902 10.659 -5.073 1.00 34.06 O HETATM 2239 O HOH 108 22.845 -0.088 0.820 1.00 20.15 O HETATM 2240 O HOH 109 13.136 3.188 -2.542 1.00 14.64 O HETATM 2241 O HOH 110 8.527 8.799 -2.343 1.00 28.11 O HETATM 2242 O HOH 111 10.029 8.323 -5.722 1.00 44.96 O HETATM 2243 O HOH 112 6.568 7.689 -2.547 1.00 32.38 O HETATM 2244 O HOH 113 6.569 5.007 -5.189 1.00 14.85 O HETATM 2245 O HOH 114 -0.155 -1.329 -3.220 1.00 19.07 O HETATM 2246 O HOH 115 -0.444 6.925 3.891 1.00 27.42 O HETATM 2247 O HOH 116 -11.132 7.706 2.844 1.00 31.52 O HETATM 2248 O HOH 117 -4.268 2.482 11.694 1.00 30.84 O HETATM 2249 O HOH 118 -8.585 -2.777 10.107 1.00 44.41 O HETATM 2250 O HOH 119 3.579 1.394 8.187 1.00 18.76 O HETATM 2251 O HOH 120 1.456 -6.767 3.695 1.00 36.75 O HETATM 2252 O HOH 121 9.815 -2.751 1.376 1.00 16.93 O HETATM 2253 O HOH 122 12.800 -1.800 -4.075 1.00 11.36 O HETATM 2254 O HOH 123 14.274 5.053 -5.378 1.00 31.26 O HETATM 2255 O HOH 124 20.091 0.415 -6.101 1.00 30.58 O HETATM 2256 O HOH 125 25.328 4.333 -5.133 1.00 22.50 O HETATM 2257 O HOH 126 23.601 23.881 16.705 1.00 40.70 O HETATM 2258 O HOH 127 22.486 24.129 23.188 1.00 25.21 O HETATM 2259 O HOH 128 19.228 18.013 20.845 1.00 15.33 O HETATM 2260 O HOH 129 29.098 21.002 22.736 1.00 19.64 O HETATM 2261 O HOH 130 26.932 21.665 19.729 1.00 28.71 O HETATM 2262 O HOH 131 20.127 21.008 23.489 1.00 28.89 O HETATM 2263 O HOH 132 27.204 15.354 27.836 1.00 14.52 O HETATM 2264 O HOH 133 14.329 17.317 28.181 1.00 34.27 O HETATM 2265 O HOH 134 15.080 16.705 22.630 1.00 16.06 O HETATM 2266 O HOH 135 18.356 20.752 26.504 1.00 32.44 O HETATM 2267 O HOH 136 10.595 11.865 27.459 1.00 18.13 O HETATM 2268 O HOH 137 18.575 15.477 21.123 1.00 10.08 O HETATM 2269 O HOH 138 20.701 12.907 30.832 1.00 24.09 O HETATM 2270 O HOH 139 23.789 12.179 24.282 1.00 11.10 O HETATM 2271 O HOH 140 26.593 4.089 23.409 1.00 21.17 O HETATM 2272 O HOH 141 25.986 8.508 29.301 1.00 18.49 O HETATM 2273 O HOH 142 31.906 7.752 23.468 1.00 24.95 O HETATM 2274 O HOH 143 31.418 10.815 23.448 1.00 16.94 O HETATM 2275 O HOH 144 27.410 4.391 20.947 1.00 18.93 O HETATM 2276 O HOH 145 31.455 6.444 20.920 1.00 16.10 O HETATM 2277 O HOH 146 29.139 13.942 21.401 1.00 9.94 O HETATM 2278 O HOH 147 15.335 14.084 14.786 1.00 10.61 O HETATM 2279 O HOH 148 15.817 20.318 15.902 1.00 23.37 O HETATM 2280 O HOH 149 18.850 19.968 9.073 1.00 57.83 O HETATM 2281 O HOH 150 14.564 18.302 -2.075 1.00 43.04 O HETATM 2282 O HOH 151 15.462 13.800 3.565 1.00 35.01 O HETATM 2283 O HOH 152 15.718 12.608 12.682 1.00 13.60 O HETATM 2284 P1 A A 2 14.853 14.452 9.707 1.00 0.20 P HETATM 2285 O2' A A 2 15.398 15.580 8.661 1.00 -0.26 O HETATM 2286 C2' A A 2 14.539 16.470 7.958 1.00 0.17 C HETATM 2287 C1' A A 2 14.898 17.951 8.096 1.00 0.21 C HETATM 2288 O4' A A 2 14.410 18.588 6.923 1.00 -0.34 O HETATM 2289 C4' A A 2 14.025 17.584 5.939 1.00 0.12 C HETATM 2290 C3' A A 2 14.640 16.288 6.447 1.00 0.12 C HETATM 2291 O3' A A 2 15.997 16.255 6.024 1.00 -0.39 O HETATM 2292 H5 A A 2 16.442 15.531 6.448 1.00 0.21 H HETATM 2293 H4 A A 2 14.099 15.395 6.101 1.00 0.07 H HETATM 2294 C5' A A 2 12.515 17.556 5.824 1.00 0.11 C HETATM 2295 O5' A A 2 11.931 17.267 7.112 1.00 -0.27 O HETATM 2296 P2 A A 2 10.348 16.895 7.260 1.00 0.20 P HETATM 2297 O6P A A 2 10.045 15.878 6.162 1.00 -0.55 O HETATM 2298 O5P A A 2 9.610 18.218 7.080 1.00 -0.55 O HETATM 2299 O4P A A 2 10.184 16.318 8.663 1.00 -0.55 O HETATM 2300 H1 A A 2 12.218 16.778 5.106 1.00 0.06 H HETATM 2301 H2 A A 2 12.157 18.535 5.473 1.00 0.06 H HETATM 2302 H3 A A 2 14.447 17.828 4.953 1.00 0.07 H HETATM 2303 N9 A A 2 14.303 18.630 9.251 1.00 -0.19 N HETATM 2304 C8 A A 2 13.107 18.371 9.887 1.00 0.11 C HETATM 2305 N7 A A 2 12.847 19.193 10.877 1.00 -0.30 N HETATM 2306 C5 A A 2 13.947 20.047 10.900 1.00 0.10 C HETATM 2307 C4 A A 2 14.855 19.702 9.910 1.00 0.16 C HETATM 2308 N3 A A 2 16.036 20.304 9.646 1.00 -0.27 N HETATM 2309 C2 A A 2 16.256 21.325 10.482 1.00 0.05 C HETATM 2310 N1 A A 2 15.477 21.783 11.479 1.00 -0.27 N HETATM 2311 C6 A A 2 14.294 21.158 11.723 1.00 0.13 C HETATM 2312 N6 A A 2 13.526 21.621 12.712 1.00 -0.32 N HETATM 2313 H9 A A 2 13.836 22.429 13.270 1.00 0.18 H HETATM 2314 H10 A A 2 12.623 21.170 12.917 1.00 0.18 H HETATM 2315 H11 A A 2 17.190 21.856 10.336 1.00 0.10 H HETATM 2316 H8 A A 2 12.441 17.561 9.595 1.00 0.13 H HETATM 2317 H7 A A 2 15.992 18.048 8.158 1.00 0.10 H HETATM 2318 H6 A A 2 13.510 16.295 8.304 1.00 0.07 H HETATM 2319 O3P A A 2 16.103 13.684 10.089 1.00 -0.55 O HETATM 2320 O2P A A 2 13.843 13.610 8.945 1.00 -0.55 O HETATM 2321 O1P A A 2 14.236 15.203 10.876 1.00 -0.55 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 392 391 1313 CONECT 623 622 1498 CONECT 906 905 1735 CONECT 996 995 1141 CONECT 1141 996 1140 CONECT 1313 392 1312 CONECT 1498 623 1497 CONECT 1735 906 1734 CONECT 2284 2285 2319 2320 2321 CONECT 2285 2284 2286 CONECT 2286 2285 2287 2290 2318 CONECT 2287 2286 2288 2303 2317 CONECT 2288 2287 2289 CONECT 2289 2288 2290 2294 2302 CONECT 2290 2286 2289 2291 2293 CONECT 2291 2290 2292 CONECT 2292 2291 CONECT 2293 2290 CONECT 2294 2289 2295 2300 2301 CONECT 2295 2294 2296 CONECT 2296 2295 2297 2298 2299 CONECT 2297 2296 CONECT 2298 2296 CONECT 2299 2296 CONECT 2300 2294 CONECT 2301 2294 CONECT 2302 2289 CONECT 2303 2287 2304 2307 CONECT 2304 2303 2305 2316 CONECT 2305 2304 2306 CONECT 2306 2305 2307 2311 CONECT 2307 2303 2306 2308 CONECT 2308 2307 2309 CONECT 2309 2308 2310 2315 CONECT 2310 2309 2311 CONECT 2311 2306 2310 2312 CONECT 2312 2311 2313 2314 CONECT 2313 2312 CONECT 2314 2312 CONECT 2315 2309 CONECT 2316 2304 CONECT 2317 2287 CONECT 2318 2286 CONECT 2319 2284 CONECT 2320 2284 CONECT 2321 2284 MASTER 0 0 0 0 0 0 0 0 2320 1 50 11 END
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Structure:
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Related entries of code: 1hi3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
135aa, >1HI4_1|Chain... at 100%
1hi5
RCSB PDB
PDBbind
135aa, >1HI5_1|Chain... at 100%
2bzz
RCSB PDB
PDBbind
135aa, >2BZZ_1|Chain... at 100%
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RCSB PDB
PDBbind
135aa, >2C02_1|Chain... at 100%
5e13
RCSB PDB
PDBbind
161aa, >5E13_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1h1h
RCSB PDB
PDBbind
A2P
1o0o
RCSB PDB
PDBbind
A2P
2gz2
RCSB PDB
PDBbind
A2P
4r3w
RCSB PDB
PDBbind
A2P
Entry Information
PDB ID
1hi3
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease 2
Ligand Name
A2P
EC.Number
E.C.3.1.27.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=64uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v276 pp. 15009-17, 2001
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):
P10153
Entrez Gene ID
NCBI Entrez Gene ID:
6036
ASD
Information of known allosteric effects of PDB entries
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