Browse entries in the PDBbind-CN Database
HEADER 4EXZ_COMPLEX COMPND 4EXZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 133 THR ARG ASP GLN ASN GLY THR TRP GLU MET GLU SER ASN SEQRES 2 A 133 GLU ASN PHE GLU GLY TYR MET LYS ALA LEU ASP ILE ASP SEQRES 3 A 133 PHE ALA THR ARG LYS ILE ALA VAL ARG LEU THR GLN THR SEQRES 4 A 133 LEU VAL ILE ASP GLN ASP GLY ASP ASN PHE LYS THR LYS SEQRES 5 A 133 THR THR SER THR PHE ARG ASN TYR ASP VAL ASP PHE THR SEQRES 6 A 133 VAL GLY VAL GLU PHE ASP GLU TYR THR LYS SER LEU ASP SEQRES 7 A 133 ASN ARG HIS VAL LYS ALA LEU VAL THR TRP GLU GLY ASP SEQRES 8 A 133 VAL LEU VAL CYS VAL GLN LYS GLY GLU LYS GLU ASN ARG SEQRES 9 A 133 GLY TRP LYS LYS TRP ILE GLU GLY ASN LYS LEU TYR LEU SEQRES 10 A 133 GLU LEU THR CYS GLY ASP GLN VAL CYS ARG GLN VAL PHE SEQRES 11 A 133 LYS LYS LYS HET RET A 208 50 ATOM 1 N THR A 1 14.550 -9.094 -5.109 1.00 37.92 N ATOM 2 CA THR A 1 13.443 -10.009 -5.462 1.00 38.27 C ATOM 3 C THR A 1 12.211 -9.193 -5.781 1.00 36.95 C ATOM 4 O THR A 1 11.970 -8.165 -5.161 1.00 37.46 O ATOM 5 CB THR A 1 13.135 -11.033 -4.328 1.00 38.10 C ATOM 6 OG1 THR A 1 12.132 -11.960 -4.770 1.00 40.70 O ATOM 7 CG2 THR A 1 12.680 -10.362 -3.021 1.00 38.31 C ATOM 8 HA THR A 1 13.748 -10.588 -6.334 1.00 0.00 H ATOM 9 HB THR A 1 14.066 -11.556 -4.111 1.00 0.00 H ATOM 10 HG1 THR A 1 12.461 -12.444 -5.569 1.00 0.00 H ATOM 11 HG23 THR A 1 13.445 -9.659 -2.690 1.00 0.00 H ATOM 12 HG21 THR A 1 11.745 -9.829 -3.194 1.00 0.00 H ATOM 13 HG22 THR A 1 12.529 -11.124 -2.256 1.00 0.00 H ATOM 14 HN3 THR A 1 14.279 -8.528 -4.279 1.00 0.00 H ATOM 15 HN2 THR A 1 14.746 -8.463 -5.912 1.00 0.00 H ATOM 16 HN1 THR A 1 15.401 -9.650 -4.888 1.00 0.00 H ATOM 17 N ARG A 2 11.466 -9.700 -6.746 1.00 37.37 N ATOM 18 CA ARG A 2 10.118 -9.257 -7.070 1.00 36.34 C ATOM 19 C ARG A 2 9.059 -10.165 -6.430 1.00 36.34 C ATOM 20 O ARG A 2 7.858 -10.002 -6.715 1.00 38.59 O ATOM 21 CB ARG A 2 9.919 -9.297 -8.581 1.00 36.25 C ATOM 22 CG ARG A 2 10.775 -8.301 -9.305 1.00 33.88 C ATOM 23 CD ARG A 2 10.524 -8.270 -10.799 1.00 32.34 C ATOM 24 NE ARG A 2 11.145 -7.066 -11.374 1.00 28.68 N ATOM 25 CZ ARG A 2 11.617 -6.972 -12.627 1.00 31.63 C ATOM 26 NH1 ARG A 2 11.591 -8.034 -13.465 1.00 31.69 N ATOM 27 NH2 ARG A 2 12.181 -5.842 -13.040 1.00 29.70 N ATOM 28 HA ARG A 2 10.002 -8.244 -6.684 1.00 0.00 H ATOM 29 HB2 ARG A 2 10.167 -10.296 -8.939 1.00 0.00 H ATOM 30 HB3 ARG A 2 8.873 -9.083 -8.801 1.00 0.00 H ATOM 31 HG2 ARG A 2 10.572 -7.310 -8.899 1.00 0.00 H ATOM 32 HG3 ARG A 2 11.821 -8.555 -9.135 1.00 0.00 H ATOM 33 HD2 ARG A 2 9.451 -8.251 -10.987 1.00 0.00 H ATOM 34 HD3 ARG A 2 10.957 -9.158 -11.259 1.00 0.00 H ATOM 35 HE ARG A 2 11.224 -6.227 -10.765 1.00 0.00 H ATOM 36 HH12 ARG A 2 11.961 -7.942 -14.432 1.00 0.00 H ATOM 37 HH11 ARG A 2 11.201 -8.942 -13.142 1.00 0.00 H ATOM 38 HH22 ARG A 2 12.547 -5.768 -14.011 1.00 0.00 H ATOM 39 HH21 ARG A 2 12.256 -5.032 -12.393 1.00 0.00 H ATOM 40 H ARG A 2 11.871 -10.471 -7.315 1.00 0.00 H ATOM 41 N ASP A 3 9.473 -11.149 -5.618 1.00 35.02 N ATOM 42 CA ASP A 3 8.491 -11.965 -4.932 1.00 33.64 C ATOM 43 C ASP A 3 8.073 -11.282 -3.640 1.00 31.92 C ATOM 44 O ASP A 3 8.841 -11.199 -2.678 1.00 32.38 O ATOM 45 CB ASP A 3 8.981 -13.417 -4.700 1.00 34.87 C ATOM 46 CG ASP A 3 7.926 -14.314 -4.035 1.00 35.19 C ATOM 47 OD1 ASP A 3 6.702 -14.052 -4.025 1.00 36.81 O ATOM 48 OD2 ASP A 3 8.329 -15.373 -3.537 1.00 38.03 O ATOM 49 HA ASP A 3 7.615 -12.057 -5.574 1.00 0.00 H ATOM 50 HB2 ASP A 3 9.247 -13.851 -5.664 1.00 0.00 H ATOM 51 HB3 ASP A 3 9.863 -13.387 -4.060 1.00 0.00 H ATOM 52 H ASP A 3 10.489 -11.325 -5.482 1.00 0.00 H ATOM 53 N GLN A 4 6.835 -10.773 -3.643 1.00 29.05 N ATOM 54 CA GLN A 4 6.276 -10.056 -2.463 1.00 27.35 C ATOM 55 C GLN A 4 5.187 -10.889 -1.773 1.00 27.70 C ATOM 56 O GLN A 4 4.400 -10.396 -0.955 1.00 27.47 O ATOM 57 CB GLN A 4 5.733 -8.674 -2.895 1.00 25.04 C ATOM 58 CG GLN A 4 6.809 -7.884 -3.598 1.00 27.52 C ATOM 59 CD GLN A 4 6.356 -6.488 -3.882 1.00 24.33 C ATOM 60 OE1 GLN A 4 5.167 -6.214 -3.845 1.00 26.59 O ATOM 61 NE2 GLN A 4 7.287 -5.610 -4.116 1.00 24.38 N ATOM 62 HA GLN A 4 7.075 -9.904 -1.738 1.00 0.00 H ATOM 63 HB2 GLN A 4 4.890 -8.814 -3.571 1.00 0.00 H ATOM 64 HB3 GLN A 4 5.402 -8.126 -2.013 1.00 0.00 H ATOM 65 HG2 GLN A 4 7.696 -7.849 -2.965 1.00 0.00 H ATOM 66 HG3 GLN A 4 7.055 -8.377 -4.539 1.00 0.00 H ATOM 67 HE22 GLN A 4 8.285 -5.903 -4.135 1.00 0.00 H ATOM 68 HE21 GLN A 4 7.033 -4.615 -4.284 1.00 0.00 H ATOM 69 H GLN A 4 6.246 -10.881 -4.494 1.00 0.00 H ATOM 70 N ASN A 5 5.147 -12.178 -2.101 1.00 27.60 N ATOM 71 CA ASN A 5 4.205 -13.104 -1.469 1.00 27.36 C ATOM 72 C ASN A 5 4.362 -13.132 0.031 1.00 27.28 C ATOM 73 O ASN A 5 5.453 -13.058 0.526 1.00 28.99 O ATOM 74 CB ASN A 5 4.475 -14.519 -2.003 1.00 26.69 C ATOM 75 CG ASN A 5 3.655 -14.821 -3.257 1.00 23.53 C ATOM 76 OD1 ASN A 5 4.169 -14.898 -4.404 1.00 32.84 O ATOM 77 ND2 ASN A 5 2.367 -14.936 -3.043 1.00 24.23 N ATOM 78 HA ASN A 5 3.195 -12.768 -1.704 1.00 0.00 H ATOM 79 HB2 ASN A 5 5.534 -14.609 -2.244 1.00 0.00 H ATOM 80 HB3 ASN A 5 4.217 -15.243 -1.230 1.00 0.00 H ATOM 81 HD22 ASN A 5 1.992 -14.865 -2.076 1.00 0.00 H ATOM 82 HD21 ASN A 5 1.720 -15.099 -3.841 1.00 0.00 H ATOM 83 H ASN A 5 5.802 -12.537 -2.825 1.00 0.00 H ATOM 84 N GLY A 6 3.253 -13.171 0.733 1.00 28.54 N ATOM 85 CA GLY A 6 3.317 -13.410 2.165 1.00 28.12 C ATOM 86 C GLY A 6 2.235 -12.769 2.990 1.00 28.78 C ATOM 87 O GLY A 6 1.354 -12.058 2.497 1.00 26.79 O ATOM 88 HA3 GLY A 6 4.276 -13.035 2.523 1.00 0.00 H ATOM 89 HA2 GLY A 6 3.266 -14.487 2.326 1.00 0.00 H ATOM 90 H GLY A 6 2.334 -13.032 0.267 1.00 0.00 H ATOM 91 N THR A 7 2.243 -13.144 4.259 1.00 26.61 N ATOM 92 CA THR A 7 1.374 -12.545 5.236 1.00 28.50 C ATOM 93 C THR A 7 2.296 -11.637 6.003 1.00 28.19 C ATOM 94 O THR A 7 3.242 -12.068 6.682 1.00 28.51 O ATOM 95 CB THR A 7 0.669 -13.605 6.093 1.00 27.72 C ATOM 96 OG1 THR A 7 -0.291 -14.278 5.278 1.00 31.49 O ATOM 97 CG2 THR A 7 -0.048 -12.939 7.226 1.00 32.72 C ATOM 98 HA THR A 7 0.539 -11.990 4.807 1.00 0.00 H ATOM 99 HB THR A 7 1.402 -14.309 6.488 1.00 0.00 H ATOM 100 HG1 THR A 7 -0.755 -14.966 5.817 1.00 0.00 H ATOM 101 HG23 THR A 7 0.674 -12.421 7.857 1.00 0.00 H ATOM 102 HG21 THR A 7 -0.766 -12.222 6.828 1.00 0.00 H ATOM 103 HG22 THR A 7 -0.573 -13.691 7.815 1.00 0.00 H ATOM 104 H THR A 7 2.897 -13.895 4.559 1.00 0.00 H ATOM 105 N TRP A 8 2.103 -10.326 5.833 1.00 27.28 N ATOM 106 CA TRP A 8 3.065 -9.360 6.352 1.00 24.84 C ATOM 107 C TRP A 8 2.458 -8.573 7.478 1.00 26.99 C ATOM 108 O TRP A 8 1.403 -7.954 7.326 1.00 27.91 O ATOM 109 CB TRP A 8 3.474 -8.380 5.219 1.00 25.42 C ATOM 110 CG TRP A 8 4.139 -9.033 4.055 1.00 25.75 C ATOM 111 CD1 TRP A 8 3.537 -9.546 2.944 1.00 26.81 C ATOM 112 CD2 TRP A 8 5.543 -9.258 3.892 1.00 23.18 C ATOM 113 NE1 TRP A 8 4.473 -10.067 2.090 1.00 25.71 N ATOM 114 CE2 TRP A 8 5.720 -9.927 2.656 1.00 23.39 C ATOM 115 CE3 TRP A 8 6.666 -8.933 4.651 1.00 22.21 C ATOM 116 CZ2 TRP A 8 7.012 -10.253 2.155 1.00 23.13 C ATOM 117 CZ3 TRP A 8 7.937 -9.294 4.192 1.00 29.74 C ATOM 118 CH2 TRP A 8 8.102 -9.928 2.937 1.00 28.07 C ATOM 119 HA TRP A 8 3.939 -9.898 6.719 1.00 0.00 H ATOM 120 HB2 TRP A 8 2.576 -7.877 4.861 1.00 0.00 H ATOM 121 HB3 TRP A 8 4.160 -7.643 5.636 1.00 0.00 H ATOM 122 HE1 TRP A 8 4.274 -10.498 1.165 1.00 0.00 H ATOM 123 HD1 TRP A 8 2.462 -9.542 2.761 1.00 0.00 H ATOM 124 HZ2 TRP A 8 7.136 -10.742 1.189 1.00 0.00 H ATOM 125 HH2 TRP A 8 9.106 -10.163 2.583 1.00 0.00 H ATOM 126 HZ3 TRP A 8 8.811 -9.085 4.808 1.00 0.00 H ATOM 127 HE3 TRP A 8 6.554 -8.401 5.596 1.00 0.00 H ATOM 128 H TRP A 8 1.259 -9.991 5.326 1.00 0.00 H ATOM 129 N GLU A 9 3.142 -8.478 8.595 1.00 25.96 N ATOM 130 CA GLU A 9 2.554 -7.754 9.708 1.00 26.70 C ATOM 131 C GLU A 9 3.249 -6.421 9.923 1.00 25.02 C ATOM 132 O GLU A 9 4.455 -6.357 9.883 1.00 27.89 O ATOM 133 CB GLU A 9 2.674 -8.643 10.965 1.00 26.48 C ATOM 134 HA GLU A 9 1.507 -7.535 9.497 1.00 0.00 H ATOM 135 HB2 GLU A 9 2.142 -9.579 10.798 1.00 0.00 H ATOM 136 HB3 GLU A 9 3.726 -8.852 11.162 1.00 0.00 H ATOM 137 H GLU A 9 4.083 -8.911 8.681 1.00 0.00 H ATOM 138 N MET A 10 2.509 -5.323 10.162 1.00 24.98 N ATOM 139 CA MET A 10 3.098 -4.011 10.234 1.00 24.36 C ATOM 140 C MET A 10 3.970 -3.820 11.458 1.00 26.54 C ATOM 141 O MET A 10 3.498 -3.983 12.607 1.00 28.69 O ATOM 142 CB MET A 10 2.005 -2.952 10.363 1.00 25.66 C ATOM 143 CG MET A 10 2.474 -1.563 10.527 1.00 23.48 C ATOM 144 SD MET A 10 0.975 -0.475 10.351 1.00 26.82 S ATOM 145 CE MET A 10 1.174 -0.232 8.588 1.00 24.08 C ATOM 146 HA MET A 10 3.691 -3.912 9.325 1.00 0.00 H ATOM 147 HB2 MET A 10 1.390 -2.994 9.464 1.00 0.00 H ATOM 148 HB3 MET A 10 1.395 -3.204 11.231 1.00 0.00 H ATOM 149 HG2 MET A 10 3.208 -1.320 9.759 1.00 0.00 H ATOM 150 HG3 MET A 10 2.922 -1.430 11.512 1.00 0.00 H ATOM 151 HE1 MET A 10 2.137 0.239 8.394 1.00 0.00 H ATOM 152 HE2 MET A 10 1.132 -1.197 8.082 1.00 0.00 H ATOM 153 HE3 MET A 10 0.374 0.409 8.218 1.00 0.00 H ATOM 154 H MET A 10 1.483 -5.425 10.299 1.00 0.00 H ATOM 155 N GLU A 11 5.199 -3.473 11.179 1.00 27.02 N ATOM 156 CA GLU A 11 6.213 -3.195 12.216 1.00 27.95 C ATOM 157 C GLU A 11 6.177 -1.701 12.550 1.00 27.17 C ATOM 158 O GLU A 11 6.118 -1.266 13.725 1.00 26.87 O ATOM 159 CB GLU A 11 7.578 -3.604 11.708 1.00 28.45 C ATOM 160 CG GLU A 11 8.388 -4.277 12.685 1.00 34.53 C ATOM 161 CD GLU A 11 9.679 -4.737 12.078 1.00 40.54 C ATOM 162 OE1 GLU A 11 9.831 -5.972 11.943 1.00 44.46 O ATOM 163 OE2 GLU A 11 10.524 -3.878 11.691 1.00 44.47 O ATOM 164 HA GLU A 11 6.001 -3.765 13.120 1.00 0.00 H ATOM 165 HB2 GLU A 11 7.441 -4.271 10.857 1.00 0.00 H ATOM 166 HB3 GLU A 11 8.106 -2.707 11.384 1.00 0.00 H ATOM 167 HG2 GLU A 11 8.602 -3.592 13.506 1.00 0.00 H ATOM 168 HG3 GLU A 11 7.844 -5.141 13.067 1.00 0.00 H ATOM 169 H GLU A 11 5.476 -3.389 10.180 1.00 0.00 H ATOM 170 N SER A 12 6.082 -0.890 11.509 1.00 27.78 N ATOM 171 CA SER A 12 6.083 0.561 11.730 1.00 27.19 C ATOM 172 C SER A 12 5.293 1.373 10.690 1.00 26.99 C ATOM 173 O SER A 12 4.962 0.851 9.653 1.00 27.00 O ATOM 174 CB SER A 12 7.525 1.049 11.858 1.00 28.51 C ATOM 175 OG SER A 12 8.272 0.828 10.692 1.00 29.25 O ATOM 176 HA SER A 12 5.545 0.738 12.661 1.00 0.00 H ATOM 177 HB2 SER A 12 8.001 0.521 12.684 1.00 0.00 H ATOM 178 HB3 SER A 12 7.515 2.118 12.070 1.00 0.00 H ATOM 179 HG SER A 12 7.852 1.310 9.936 1.00 0.00 H ATOM 180 H SER A 12 6.008 -1.276 10.546 1.00 0.00 H ATOM 181 N ASN A 13 4.964 2.628 10.993 1.00 27.48 N ATOM 182 CA ASN A 13 4.025 3.388 10.158 1.00 27.74 C ATOM 183 C ASN A 13 4.321 4.839 10.496 1.00 27.78 C ATOM 184 O ASN A 13 4.004 5.316 11.619 1.00 31.03 O ATOM 185 CB ASN A 13 2.626 2.928 10.543 1.00 26.57 C ATOM 186 CG ASN A 13 1.527 3.489 9.654 1.00 29.21 C ATOM 187 OD1 ASN A 13 1.788 4.224 8.675 1.00 28.37 O ATOM 188 ND2 ASN A 13 0.260 3.167 10.021 1.00 30.19 N ATOM 189 HA ASN A 13 4.113 3.248 9.081 1.00 0.00 H ATOM 190 HB2 ASN A 13 2.594 1.840 10.484 1.00 0.00 H ATOM 191 HB3 ASN A 13 2.432 3.241 11.569 1.00 0.00 H ATOM 192 HD22 ASN A 13 0.097 2.552 10.844 1.00 0.00 H ATOM 193 HD21 ASN A 13 -0.548 3.536 9.480 1.00 0.00 H ATOM 194 H ASN A 13 5.379 3.077 11.835 1.00 0.00 H ATOM 195 N GLU A 14 5.068 5.478 9.609 1.00 26.15 N ATOM 196 CA GLU A 14 5.529 6.840 9.770 1.00 27.11 C ATOM 197 C GLU A 14 4.672 7.755 8.934 1.00 26.96 C ATOM 198 O GLU A 14 4.515 7.529 7.726 1.00 27.16 O ATOM 199 CB GLU A 14 6.963 7.022 9.304 1.00 28.16 C ATOM 200 CG GLU A 14 7.559 8.375 9.634 1.00 31.78 C ATOM 201 CD GLU A 14 9.051 8.580 9.240 1.00 42.28 C ATOM 202 OE1 GLU A 14 9.824 7.591 9.117 1.00 43.27 O ATOM 203 OE2 GLU A 14 9.437 9.772 9.062 1.00 46.05 O ATOM 204 HA GLU A 14 5.467 7.074 10.833 1.00 0.00 H ATOM 205 HB2 GLU A 14 7.576 6.254 9.777 1.00 0.00 H ATOM 206 HB3 GLU A 14 6.990 6.892 8.222 1.00 0.00 H ATOM 207 HG2 GLU A 14 6.971 9.133 9.118 1.00 0.00 H ATOM 208 HG3 GLU A 14 7.475 8.523 10.711 1.00 0.00 H ATOM 209 H GLU A 14 5.340 4.970 8.743 1.00 0.00 H ATOM 210 N ASN A 15 4.214 8.812 9.565 1.00 26.38 N ATOM 211 CA ASN A 15 3.415 9.856 8.908 1.00 26.08 C ATOM 212 C ASN A 15 2.128 9.349 8.235 1.00 26.33 C ATOM 213 O ASN A 15 1.718 9.919 7.206 1.00 25.01 O ATOM 214 CB ASN A 15 4.258 10.601 7.873 1.00 26.01 C ATOM 215 CG ASN A 15 3.618 11.908 7.408 1.00 24.75 C ATOM 216 OD1 ASN A 15 3.007 12.626 8.204 1.00 34.64 O ATOM 217 ND2 ASN A 15 3.781 12.239 6.148 1.00 25.05 N ATOM 218 HA ASN A 15 3.103 10.522 9.713 1.00 0.00 H ATOM 219 HB2 ASN A 15 5.229 10.827 8.314 1.00 0.00 H ATOM 220 HB3 ASN A 15 4.396 9.954 7.007 1.00 0.00 H ATOM 221 HD22 ASN A 15 4.302 11.607 5.508 1.00 0.00 H ATOM 222 HD21 ASN A 15 3.389 13.133 5.790 1.00 0.00 H ATOM 223 H ASN A 15 4.427 8.915 10.578 1.00 0.00 H ATOM 224 N PHE A 16 1.475 8.327 8.800 1.00 26.81 N ATOM 225 CA PHE A 16 0.171 7.908 8.231 1.00 26.96 C ATOM 226 C PHE A 16 -0.844 9.091 8.281 1.00 27.31 C ATOM 227 O PHE A 16 -1.689 9.229 7.377 1.00 26.57 O ATOM 228 CB PHE A 16 -0.378 6.683 8.986 1.00 26.65 C ATOM 229 CG PHE A 16 -1.343 5.843 8.223 1.00 26.25 C ATOM 230 CD1 PHE A 16 -1.272 5.711 6.840 1.00 28.51 C ATOM 231 CD2 PHE A 16 -2.297 5.121 8.919 1.00 26.52 C ATOM 232 CE1 PHE A 16 -2.190 4.882 6.141 1.00 29.29 C ATOM 233 CE2 PHE A 16 -3.202 4.281 8.225 1.00 26.16 C ATOM 234 CZ PHE A 16 -3.155 4.161 6.877 1.00 26.44 C ATOM 235 HA PHE A 16 0.318 7.625 7.189 1.00 0.00 H ATOM 236 HB2 PHE A 16 0.467 6.054 9.267 1.00 0.00 H ATOM 237 HB3 PHE A 16 -0.880 7.039 9.886 1.00 0.00 H ATOM 238 HD2 PHE A 16 -2.352 5.199 10.005 1.00 0.00 H ATOM 239 HE2 PHE A 16 -3.950 3.721 8.786 1.00 0.00 H ATOM 240 HZ PHE A 16 -3.861 3.509 6.362 1.00 0.00 H ATOM 241 HE1 PHE A 16 -2.150 4.804 5.055 1.00 0.00 H ATOM 242 HD1 PHE A 16 -0.503 6.250 6.286 1.00 0.00 H ATOM 243 H PHE A 16 1.875 7.835 9.624 1.00 0.00 H ATOM 244 N GLU A 17 -0.789 9.894 9.345 1.00 27.72 N ATOM 245 CA GLU A 17 -1.699 11.035 9.544 1.00 30.27 C ATOM 246 C GLU A 17 -1.569 12.080 8.417 1.00 29.50 C ATOM 247 O GLU A 17 -2.587 12.547 7.840 1.00 28.58 O ATOM 248 CB GLU A 17 -1.392 11.676 10.909 1.00 31.14 C ATOM 249 CG GLU A 17 -1.943 13.096 11.109 1.00 38.54 C ATOM 250 CD GLU A 17 -3.415 13.144 11.549 1.00 46.97 C ATOM 251 OE1 GLU A 17 -3.841 12.329 12.420 1.00 51.84 O ATOM 252 OE2 GLU A 17 -4.142 14.044 11.056 1.00 48.55 O ATOM 253 HA GLU A 17 -2.726 10.671 9.520 1.00 0.00 H ATOM 254 HB2 GLU A 17 -1.817 11.038 11.684 1.00 0.00 H ATOM 255 HB3 GLU A 17 -0.309 11.716 11.026 1.00 0.00 H ATOM 256 HG2 GLU A 17 -1.342 13.592 11.871 1.00 0.00 H ATOM 257 HG3 GLU A 17 -1.850 13.635 10.166 1.00 0.00 H ATOM 258 H GLU A 17 -0.068 9.705 10.070 1.00 0.00 H ATOM 259 N GLY A 18 -0.336 12.418 8.062 1.00 29.99 N ATOM 260 CA GLY A 18 -0.103 13.400 6.971 1.00 29.20 C ATOM 261 C GLY A 18 -0.625 12.897 5.624 1.00 29.27 C ATOM 262 O GLY A 18 -1.259 13.657 4.852 1.00 29.60 O ATOM 263 HA3 GLY A 18 0.968 13.585 6.887 1.00 0.00 H ATOM 264 HA2 GLY A 18 -0.612 14.331 7.221 1.00 0.00 H ATOM 265 H GLY A 18 0.476 11.991 8.552 1.00 0.00 H ATOM 266 N TYR A 19 -0.338 11.640 5.313 1.00 26.67 N ATOM 267 CA TYR A 19 -0.869 11.003 4.092 1.00 26.45 C ATOM 268 C TYR A 19 -2.403 11.023 4.061 1.00 24.89 C ATOM 269 O TYR A 19 -3.024 11.457 3.026 1.00 25.46 O ATOM 270 CB TYR A 19 -0.335 9.553 3.989 1.00 26.33 C ATOM 271 CG TYR A 19 -0.957 8.751 2.896 1.00 26.41 C ATOM 272 CD1 TYR A 19 -0.624 8.961 1.535 1.00 25.43 C ATOM 273 CD2 TYR A 19 -1.861 7.729 3.204 1.00 25.03 C ATOM 274 CE1 TYR A 19 -1.212 8.187 0.520 1.00 26.40 C ATOM 275 CE2 TYR A 19 -2.464 6.994 2.228 1.00 25.88 C ATOM 276 CZ TYR A 19 -2.156 7.223 0.871 1.00 22.98 C ATOM 277 OH TYR A 19 -2.752 6.442 -0.062 1.00 26.59 O ATOM 278 HA TYR A 19 -0.526 11.575 3.230 1.00 0.00 H ATOM 279 HB3 TYR A 19 -0.528 9.049 4.936 1.00 0.00 H ATOM 280 HB2 TYR A 19 0.740 9.595 3.814 1.00 0.00 H ATOM 281 HD2 TYR A 19 -2.088 7.516 4.249 1.00 0.00 H ATOM 282 HE2 TYR A 19 -3.188 6.225 2.497 1.00 0.00 H ATOM 283 HE1 TYR A 19 -0.935 8.338 -0.523 1.00 0.00 H ATOM 284 HD1 TYR A 19 0.098 9.734 1.271 1.00 0.00 H ATOM 285 HH TYR A 19 -2.445 6.713 -0.963 1.00 0.00 H ATOM 286 H TYR A 19 0.277 11.089 5.946 1.00 0.00 H ATOM 287 N MET A 20 -3.029 10.604 5.171 1.00 23.36 N ATOM 288 CA MET A 20 -4.518 10.539 5.241 1.00 25.20 C ATOM 289 C MET A 20 -5.175 11.935 5.122 1.00 24.61 C ATOM 290 O MET A 20 -6.204 12.048 4.438 1.00 22.95 O ATOM 291 CB MET A 20 -5.014 9.779 6.500 1.00 24.74 C ATOM 292 CG MET A 20 -4.832 8.237 6.372 1.00 25.24 C ATOM 293 SD MET A 20 -5.507 7.403 7.809 1.00 29.26 S ATOM 294 CE MET A 20 -4.453 8.078 9.096 1.00 26.57 C ATOM 295 HA MET A 20 -4.839 9.963 4.373 1.00 0.00 H ATOM 296 HB2 MET A 20 -4.450 10.128 7.365 1.00 0.00 H ATOM 297 HB3 MET A 20 -6.072 9.996 6.646 1.00 0.00 H ATOM 298 HG2 MET A 20 -3.770 8.007 6.289 1.00 0.00 H ATOM 299 HG3 MET A 20 -5.349 7.887 5.478 1.00 0.00 H ATOM 300 HE1 MET A 20 -3.415 7.822 8.885 1.00 0.00 H ATOM 301 HE2 MET A 20 -4.563 9.162 9.123 1.00 0.00 H ATOM 302 HE3 MET A 20 -4.743 7.658 10.059 1.00 0.00 H ATOM 303 H MET A 20 -2.466 10.319 5.998 1.00 0.00 H ATOM 304 N LYS A 21 -4.579 12.955 5.755 1.00 23.99 N ATOM 305 CA LYS A 21 -5.034 14.344 5.595 1.00 25.46 C ATOM 306 C LYS A 21 -4.891 14.786 4.166 1.00 26.47 C ATOM 307 O LYS A 21 -5.772 15.488 3.673 1.00 27.05 O ATOM 308 CB LYS A 21 -4.242 15.287 6.484 1.00 28.27 C ATOM 309 CG LYS A 21 -5.102 16.121 7.317 1.00 30.89 C ATOM 310 CD LYS A 21 -4.268 17.254 7.964 1.00 36.68 C ATOM 311 CE LYS A 21 -4.572 17.381 9.411 1.00 38.85 C ATOM 312 NZ LYS A 21 -3.397 18.065 10.109 1.00 39.04 N ATOM 313 HA LYS A 21 -6.084 14.378 5.886 1.00 0.00 H ATOM 314 HB2 LYS A 21 -3.594 14.696 7.131 1.00 0.00 H ATOM 315 HB3 LYS A 21 -3.632 15.933 5.853 1.00 0.00 H ATOM 316 HG2 LYS A 21 -5.889 16.557 6.702 1.00 0.00 H ATOM 317 HG3 LYS A 21 -5.551 15.510 8.100 1.00 0.00 H ATOM 318 HD2 LYS A 21 -3.208 17.031 7.841 1.00 0.00 H ATOM 319 HD3 LYS A 21 -4.500 18.196 7.467 1.00 0.00 H ATOM 320 HE2 LYS A 21 -4.726 16.391 9.840 1.00 0.00 H ATOM 321 HE3 LYS A 21 -5.474 17.978 9.544 1.00 0.00 H ATOM 322 HZ1 LYS A 21 -2.538 17.493 9.980 1.00 0.00 H ATOM 323 HZ2 LYS A 21 -3.252 19.009 9.697 1.00 0.00 H ATOM 324 HZ3 LYS A 21 -3.604 18.157 11.124 1.00 0.00 H ATOM 325 H LYS A 21 -3.770 12.758 6.378 1.00 0.00 H ATOM 326 N ALA A 22 -3.812 14.399 3.492 1.00 24.82 N ATOM 327 CA ALA A 22 -3.635 14.818 2.085 1.00 26.70 C ATOM 328 C ALA A 22 -4.752 14.211 1.250 1.00 26.09 C ATOM 329 O ALA A 22 -5.208 14.843 0.273 1.00 27.48 O ATOM 330 CB ALA A 22 -2.296 14.460 1.519 1.00 25.83 C ATOM 331 HA ALA A 22 -3.683 15.907 2.056 1.00 0.00 H ATOM 332 HB1 ALA A 22 -1.514 14.943 2.105 1.00 0.00 H ATOM 333 HB2 ALA A 22 -2.164 13.379 1.557 1.00 0.00 H ATOM 334 HB3 ALA A 22 -2.238 14.798 0.484 1.00 0.00 H ATOM 335 H ALA A 22 -3.095 13.803 3.953 1.00 0.00 H ATOM 336 N LEU A 23 -5.178 12.985 1.616 1.00 24.70 N ATOM 337 CA LEU A 23 -6.363 12.358 0.990 1.00 23.99 C ATOM 338 C LEU A 23 -7.756 12.877 1.414 1.00 25.77 C ATOM 339 O LEU A 23 -8.781 12.437 0.842 1.00 25.21 O ATOM 340 CB LEU A 23 -6.369 10.838 1.268 1.00 24.83 C ATOM 341 CG LEU A 23 -5.337 10.077 0.469 1.00 26.57 C ATOM 342 CD1 LEU A 23 -5.296 8.624 1.000 1.00 27.96 C ATOM 343 CD2 LEU A 23 -5.688 10.097 -1.009 1.00 26.15 C ATOM 344 HA LEU A 23 -6.238 12.626 -0.059 1.00 0.00 H ATOM 345 HB2 LEU A 23 -6.171 10.680 2.328 1.00 0.00 H ATOM 346 HB3 LEU A 23 -7.355 10.445 1.021 1.00 0.00 H ATOM 347 HG LEU A 23 -4.358 10.543 0.580 1.00 0.00 H ATOM 348 HD21 LEU A 23 -6.663 9.633 -1.156 1.00 0.00 H ATOM 349 HD22 LEU A 23 -5.718 11.129 -1.360 1.00 0.00 H ATOM 350 HD23 LEU A 23 -4.933 9.544 -1.568 1.00 0.00 H ATOM 351 HD11 LEU A 23 -5.024 8.632 2.056 1.00 0.00 H ATOM 352 HD12 LEU A 23 -6.278 8.167 0.880 1.00 0.00 H ATOM 353 HD13 LEU A 23 -4.557 8.054 0.438 1.00 0.00 H ATOM 354 H LEU A 23 -4.661 12.468 2.356 1.00 0.00 H ATOM 355 N ASP A 24 -7.840 13.750 2.415 1.00 25.62 N ATOM 356 CA ASP A 24 -9.135 14.188 2.975 1.00 28.32 C ATOM 357 C ASP A 24 -9.916 13.128 3.671 1.00 28.82 C ATOM 358 O ASP A 24 -11.148 13.146 3.713 1.00 29.93 O ATOM 359 CB ASP A 24 -10.013 14.881 1.928 1.00 27.54 C ATOM 360 CG ASP A 24 -9.210 15.884 1.183 1.00 29.82 C ATOM 361 OD1 ASP A 24 -8.612 16.734 1.869 1.00 37.73 O ATOM 362 OD2 ASP A 24 -9.109 15.821 -0.031 1.00 34.04 O ATOM 363 HA ASP A 24 -8.850 14.906 3.744 1.00 0.00 H ATOM 364 HB2 ASP A 24 -10.401 14.138 1.231 1.00 0.00 H ATOM 365 HB3 ASP A 24 -10.845 15.380 2.426 1.00 0.00 H ATOM 366 H ASP A 24 -6.963 14.138 2.817 1.00 0.00 H ATOM 367 N ILE A 25 -9.226 12.160 4.253 1.00 27.80 N ATOM 368 CA ILE A 25 -9.923 11.304 5.169 1.00 29.23 C ATOM 369 C ILE A 25 -10.305 12.071 6.448 1.00 29.91 C ATOM 370 O ILE A 25 -9.504 12.842 6.968 1.00 30.90 O ATOM 371 CB ILE A 25 -9.029 10.040 5.464 1.00 26.89 C ATOM 372 CG1 ILE A 25 -8.880 9.203 4.181 1.00 30.25 C ATOM 373 CG2 ILE A 25 -9.585 9.214 6.575 1.00 27.75 C ATOM 374 CD1 ILE A 25 -7.588 8.507 4.078 1.00 32.45 C ATOM 375 HA ILE A 25 -10.860 10.963 4.728 1.00 0.00 H ATOM 376 HB ILE A 25 -8.046 10.384 5.786 1.00 0.00 H ATOM 377 HG12 ILE A 25 -9.675 8.458 4.161 1.00 0.00 H ATOM 378 HG13 ILE A 25 -8.984 9.867 3.322 1.00 0.00 H ATOM 379 HD11 ILE A 25 -6.781 9.239 4.085 1.00 0.00 H ATOM 380 HD12 ILE A 25 -7.473 7.830 4.924 1.00 0.00 H ATOM 381 HD13 ILE A 25 -7.556 7.938 3.149 1.00 0.00 H ATOM 382 HG21 ILE A 25 -9.637 9.816 7.482 1.00 0.00 H ATOM 383 HG22 ILE A 25 -10.584 8.872 6.306 1.00 0.00 H ATOM 384 HG23 ILE A 25 -8.938 8.353 6.745 1.00 0.00 H ATOM 385 H ILE A 25 -8.214 12.025 4.053 1.00 0.00 H ATOM 386 N ASP A 26 -11.546 11.902 6.910 1.00 34.19 N ATOM 387 CA ASP A 26 -12.066 12.666 8.046 1.00 36.90 C ATOM 388 C ASP A 26 -11.252 12.408 9.320 1.00 37.46 C ATOM 389 O ASP A 26 -10.703 11.310 9.510 1.00 36.89 O ATOM 390 CB ASP A 26 -13.556 12.355 8.289 1.00 38.48 C ATOM 391 CG ASP A 26 -13.782 10.939 8.763 1.00 42.13 C ATOM 392 OD1 ASP A 26 -14.022 10.043 7.916 1.00 49.39 O ATOM 393 OD2 ASP A 26 -13.691 10.697 9.975 1.00 44.96 O ATOM 394 HA ASP A 26 -11.970 13.722 7.794 1.00 0.00 H ATOM 395 HB2 ASP A 26 -13.938 13.042 9.044 1.00 0.00 H ATOM 396 HB3 ASP A 26 -14.101 12.503 7.357 1.00 0.00 H ATOM 397 H ASP A 26 -12.164 11.205 6.448 1.00 0.00 H ATOM 398 N PHE A 27 -11.212 13.412 10.186 1.00 38.38 N ATOM 399 CA PHE A 27 -10.385 13.430 11.378 1.00 38.05 C ATOM 400 C PHE A 27 -10.573 12.157 12.222 1.00 36.56 C ATOM 401 O PHE A 27 -9.601 11.621 12.714 1.00 35.62 O ATOM 402 CB PHE A 27 -10.704 14.722 12.183 1.00 39.16 C ATOM 403 CG PHE A 27 -9.792 14.971 13.382 1.00 44.43 C ATOM 404 CD1 PHE A 27 -8.597 15.670 13.241 1.00 46.74 C ATOM 405 CD2 PHE A 27 -10.173 14.544 14.666 1.00 48.02 C ATOM 406 CE1 PHE A 27 -7.754 15.917 14.362 1.00 51.00 C ATOM 407 CE2 PHE A 27 -9.347 14.769 15.790 1.00 51.32 C ATOM 408 CZ PHE A 27 -8.129 15.462 15.635 1.00 51.14 C ATOM 409 HA PHE A 27 -9.333 13.440 11.091 1.00 0.00 H ATOM 410 HB2 PHE A 27 -10.616 15.573 11.508 1.00 0.00 H ATOM 411 HB3 PHE A 27 -11.730 14.651 12.546 1.00 0.00 H ATOM 412 HD2 PHE A 27 -11.125 14.029 14.797 1.00 0.00 H ATOM 413 HE2 PHE A 27 -9.650 14.408 16.773 1.00 0.00 H ATOM 414 HZ PHE A 27 -7.485 15.642 16.496 1.00 0.00 H ATOM 415 HE1 PHE A 27 -6.818 16.459 14.231 1.00 0.00 H ATOM 416 HD1 PHE A 27 -8.302 16.034 12.257 1.00 0.00 H ATOM 417 H PHE A 27 -11.812 14.240 9.998 1.00 0.00 H ATOM 418 N ALA A 28 -11.811 11.705 12.405 1.00 35.62 N ATOM 419 CA ALA A 28 -12.119 10.593 13.313 1.00 35.90 C ATOM 420 C ALA A 28 -11.704 9.248 12.741 1.00 34.65 C ATOM 421 O ALA A 28 -11.355 8.337 13.462 1.00 34.78 O ATOM 422 CB ALA A 28 -13.598 10.560 13.634 1.00 35.75 C ATOM 423 HA ALA A 28 -11.545 10.767 14.223 1.00 0.00 H ATOM 424 HB1 ALA A 28 -13.886 11.496 14.112 1.00 0.00 H ATOM 425 HB2 ALA A 28 -14.166 10.431 12.712 1.00 0.00 H ATOM 426 HB3 ALA A 28 -13.804 9.728 14.308 1.00 0.00 H ATOM 427 H ALA A 28 -12.590 12.157 11.885 1.00 0.00 H ATOM 428 N THR A 29 -11.808 9.104 11.429 1.00 33.62 N ATOM 429 CA THR A 29 -11.293 7.916 10.771 1.00 31.61 C ATOM 430 C THR A 29 -9.785 7.925 10.919 1.00 30.44 C ATOM 431 O THR A 29 -9.189 6.877 11.178 1.00 29.25 O ATOM 432 CB THR A 29 -11.725 7.905 9.278 1.00 32.53 C ATOM 433 OG1 THR A 29 -13.174 7.919 9.231 1.00 33.95 O ATOM 434 CG2 THR A 29 -11.175 6.629 8.535 1.00 31.67 C ATOM 435 HA THR A 29 -11.695 7.010 11.225 1.00 0.00 H ATOM 436 HB THR A 29 -11.314 8.780 8.774 1.00 0.00 H ATOM 437 HG1 THR A 29 -13.510 8.736 9.679 1.00 0.00 H ATOM 438 HG23 THR A 29 -10.086 6.628 8.576 1.00 0.00 H ATOM 439 HG21 THR A 29 -11.559 5.733 9.022 1.00 0.00 H ATOM 440 HG22 THR A 29 -11.501 6.647 7.495 1.00 0.00 H ATOM 441 H THR A 29 -12.263 9.849 10.864 1.00 0.00 H ATOM 442 N ARG A 30 -9.167 9.086 10.749 1.00 28.38 N ATOM 443 CA ARG A 30 -7.711 9.178 10.849 1.00 29.98 C ATOM 444 C ARG A 30 -7.272 8.817 12.261 1.00 30.03 C ATOM 445 O ARG A 30 -6.291 8.110 12.427 1.00 29.84 O ATOM 446 CB ARG A 30 -7.190 10.560 10.507 1.00 28.10 C ATOM 447 CG ARG A 30 -7.426 10.974 9.085 1.00 31.35 C ATOM 448 CD ARG A 30 -6.464 12.128 8.705 1.00 34.20 C ATOM 449 NE ARG A 30 -6.471 13.233 9.678 1.00 37.72 N ATOM 450 CZ ARG A 30 -7.259 14.313 9.586 1.00 38.61 C ATOM 451 NH1 ARG A 30 -8.143 14.450 8.579 1.00 36.13 N ATOM 452 NH2 ARG A 30 -7.176 15.252 10.519 1.00 38.29 N ATOM 453 HA ARG A 30 -7.295 8.478 10.124 1.00 0.00 H ATOM 454 HB2 ARG A 30 -7.682 11.282 11.159 1.00 0.00 H ATOM 455 HB3 ARG A 30 -6.116 10.576 10.694 1.00 0.00 H ATOM 456 HG2 ARG A 30 -7.249 10.124 8.427 1.00 0.00 H ATOM 457 HG3 ARG A 30 -8.457 11.310 8.972 1.00 0.00 H ATOM 458 HD2 ARG A 30 -6.761 12.521 7.732 1.00 0.00 H ATOM 459 HD3 ARG A 30 -5.452 11.729 8.641 1.00 0.00 H ATOM 460 HE ARG A 30 -5.823 13.171 10.489 1.00 0.00 H ATOM 461 HH12 ARG A 30 -8.745 15.297 8.527 1.00 0.00 H ATOM 462 HH11 ARG A 30 -8.224 13.709 7.854 1.00 0.00 H ATOM 463 HH22 ARG A 30 -7.781 16.096 10.462 1.00 0.00 H ATOM 464 HH21 ARG A 30 -6.506 15.144 11.307 1.00 0.00 H ATOM 465 H ARG A 30 -9.724 9.940 10.542 1.00 0.00 H ATOM 466 N LYS A 31 -8.037 9.154 13.155 1.00 31.06 N ATOM 467 CA LYS A 31 -7.603 8.997 14.557 1.00 30.79 C ATOM 468 C LYS A 31 -7.661 7.540 14.963 1.00 30.63 C ATOM 469 O LYS A 31 -6.693 7.058 15.584 1.00 31.56 O ATOM 470 CB LYS A 31 -8.471 9.843 15.489 1.00 20.00 C ATOM 471 HA LYS A 31 -6.573 9.344 14.639 1.00 0.00 H ATOM 472 HB2 LYS A 31 -8.386 10.893 15.209 1.00 0.00 H ATOM 473 HB3 LYS A 31 -9.510 9.525 15.403 1.00 0.00 H ATOM 474 H LYS A 31 -8.975 9.544 12.931 1.00 0.00 H ATOM 475 N ILE A 32 -8.645 6.837 14.552 1.00 28.87 N ATOM 476 CA ILE A 32 -8.687 5.388 14.747 1.00 30.74 C ATOM 477 C ILE A 32 -7.607 4.699 13.937 1.00 29.84 C ATOM 478 O ILE A 32 -6.847 3.859 14.464 1.00 29.85 O ATOM 479 CB ILE A 32 -10.049 4.792 14.358 1.00 31.59 C ATOM 480 CG1 ILE A 32 -11.176 5.380 15.197 1.00 32.72 C ATOM 481 CG2 ILE A 32 -10.024 3.275 14.481 1.00 32.89 C ATOM 482 CD1 ILE A 32 -12.464 4.739 14.856 1.00 38.53 C ATOM 483 HA ILE A 32 -8.520 5.217 15.810 1.00 0.00 H ATOM 484 HB ILE A 32 -10.240 5.054 13.317 1.00 0.00 H ATOM 485 HG12 ILE A 32 -10.961 5.215 16.253 1.00 0.00 H ATOM 486 HG13 ILE A 32 -11.246 6.451 15.005 1.00 0.00 H ATOM 487 HD11 ILE A 32 -12.683 4.905 13.801 1.00 0.00 H ATOM 488 HD12 ILE A 32 -12.398 3.668 15.050 1.00 0.00 H ATOM 489 HD13 ILE A 32 -13.257 5.172 15.466 1.00 0.00 H ATOM 490 HG21 ILE A 32 -9.258 2.871 13.819 1.00 0.00 H ATOM 491 HG22 ILE A 32 -9.798 2.999 15.511 1.00 0.00 H ATOM 492 HG23 ILE A 32 -10.998 2.873 14.201 1.00 0.00 H ATOM 493 H ILE A 32 -9.436 7.307 14.067 1.00 0.00 H ATOM 494 N ALA A 33 -7.495 5.078 12.660 1.00 27.34 N ATOM 495 CA ALA A 33 -6.596 4.324 11.783 1.00 25.68 C ATOM 496 C ALA A 33 -5.127 4.409 12.164 1.00 24.28 C ATOM 497 O ALA A 33 -4.385 3.387 11.988 1.00 25.64 O ATOM 498 CB ALA A 33 -6.783 4.750 10.308 1.00 26.81 C ATOM 499 HA ALA A 33 -6.882 3.280 11.912 1.00 0.00 H ATOM 500 HB1 ALA A 33 -7.812 4.560 10.004 1.00 0.00 H ATOM 501 HB2 ALA A 33 -6.563 5.813 10.207 1.00 0.00 H ATOM 502 HB3 ALA A 33 -6.105 4.176 9.677 1.00 0.00 H ATOM 503 H ALA A 33 -8.034 5.890 12.297 1.00 0.00 H ATOM 504 N VAL A 34 -4.688 5.568 12.688 1.00 23.74 N ATOM 505 CA VAL A 34 -3.302 5.759 12.991 1.00 24.75 C ATOM 506 C VAL A 34 -2.851 4.711 14.056 1.00 24.20 C ATOM 507 O VAL A 34 -1.646 4.355 14.116 1.00 26.29 O ATOM 508 CB VAL A 34 -2.950 7.219 13.424 1.00 27.42 C ATOM 509 CG1 VAL A 34 -3.647 7.594 14.731 1.00 25.62 C ATOM 510 CG2 VAL A 34 -1.442 7.399 13.489 1.00 31.91 C ATOM 511 HA VAL A 34 -2.742 5.600 12.069 1.00 0.00 H ATOM 512 HB VAL A 34 -3.327 7.911 12.671 1.00 0.00 H ATOM 513 HG11 VAL A 34 -4.727 7.522 14.599 1.00 0.00 H ATOM 514 HG12 VAL A 34 -3.329 6.912 15.519 1.00 0.00 H ATOM 515 HG13 VAL A 34 -3.381 8.615 15.003 1.00 0.00 H ATOM 516 HG21 VAL A 34 -1.025 6.701 14.215 1.00 0.00 H ATOM 517 HG22 VAL A 34 -1.011 7.204 12.507 1.00 0.00 H ATOM 518 HG23 VAL A 34 -1.212 8.421 13.792 1.00 0.00 H ATOM 519 H VAL A 34 -5.365 6.335 12.875 1.00 0.00 H ATOM 520 N ARG A 35 -3.771 4.256 14.899 1.00 22.98 N ATOM 521 CA ARG A 35 -3.348 3.429 16.051 1.00 23.20 C ATOM 522 C ARG A 35 -3.290 1.960 15.706 1.00 22.80 C ATOM 523 O ARG A 35 -2.741 1.171 16.479 1.00 21.92 O ATOM 524 CB ARG A 35 -4.152 3.697 17.353 1.00 22.79 C ATOM 525 CG ARG A 35 -5.659 4.130 17.217 1.00 32.59 C ATOM 526 CD ARG A 35 -6.405 4.026 18.541 1.00 36.74 C ATOM 527 NE ARG A 35 -7.864 3.876 18.422 1.00 41.25 N ATOM 528 CZ ARG A 35 -8.760 4.817 18.774 1.00 45.92 C ATOM 529 NH1 ARG A 35 -8.391 6.030 19.228 1.00 41.61 N ATOM 530 NH2 ARG A 35 -10.057 4.559 18.624 1.00 47.40 N ATOM 531 HA ARG A 35 -2.331 3.750 16.275 1.00 0.00 H ATOM 532 HB2 ARG A 35 -4.130 2.780 17.942 1.00 0.00 H ATOM 533 HB3 ARG A 35 -3.635 4.488 17.896 1.00 0.00 H ATOM 534 HG2 ARG A 35 -5.699 5.163 16.871 1.00 0.00 H ATOM 535 HG3 ARG A 35 -6.146 3.484 16.487 1.00 0.00 H ATOM 536 HD2 ARG A 35 -6.203 4.930 19.115 1.00 0.00 H ATOM 537 HD3 ARG A 35 -6.019 3.161 19.080 1.00 0.00 H ATOM 538 HE ARG A 35 -8.228 2.980 18.039 1.00 0.00 H ATOM 539 HH12 ARG A 35 -9.115 6.730 19.490 1.00 0.00 H ATOM 540 HH11 ARG A 35 -7.382 6.267 19.317 1.00 0.00 H ATOM 541 HH22 ARG A 35 -10.764 5.274 18.891 1.00 0.00 H ATOM 542 HH21 ARG A 35 -10.364 3.642 18.240 1.00 0.00 H ATOM 543 H ARG A 35 -4.776 4.478 14.751 1.00 0.00 H ATOM 544 N LEU A 36 -3.770 1.586 14.517 1.00 20.83 N ATOM 545 CA LEU A 36 -4.092 0.184 14.324 1.00 23.21 C ATOM 546 C LEU A 36 -2.909 -0.589 13.737 1.00 21.66 C ATOM 547 O LEU A 36 -2.278 -0.154 12.771 1.00 23.33 O ATOM 548 CB LEU A 36 -5.311 0.092 13.396 1.00 22.87 C ATOM 549 CG LEU A 36 -6.652 0.533 14.011 1.00 26.88 C ATOM 550 CD1 LEU A 36 -7.666 0.272 12.937 1.00 30.74 C ATOM 551 CD2 LEU A 36 -7.105 -0.119 15.316 1.00 29.65 C ATOM 552 HA LEU A 36 -4.319 -0.268 15.289 1.00 0.00 H ATOM 553 HB2 LEU A 36 -5.118 0.720 12.526 1.00 0.00 H ATOM 554 HB3 LEU A 36 -5.413 -0.946 13.078 1.00 0.00 H ATOM 555 HG LEU A 36 -6.533 1.572 14.317 1.00 0.00 H ATOM 556 HD21 LEU A 36 -7.206 -1.194 15.167 1.00 0.00 H ATOM 557 HD22 LEU A 36 -6.365 0.074 16.093 1.00 0.00 H ATOM 558 HD23 LEU A 36 -8.066 0.300 15.616 1.00 0.00 H ATOM 559 HD11 LEU A 36 -7.414 0.856 12.052 1.00 0.00 H ATOM 560 HD12 LEU A 36 -7.664 -0.789 12.687 1.00 0.00 H ATOM 561 HD13 LEU A 36 -8.655 0.560 13.295 1.00 0.00 H ATOM 562 H LEU A 36 -3.909 2.278 13.753 1.00 0.00 H ATOM 563 N THR A 37 -2.621 -1.777 14.257 1.00 22.77 N ATOM 564 CA THR A 37 -1.778 -2.730 13.558 1.00 23.45 C ATOM 565 C THR A 37 -2.418 -3.290 12.247 1.00 23.80 C ATOM 566 O THR A 37 -3.520 -3.824 12.279 1.00 23.89 O ATOM 567 CB THR A 37 -1.464 -3.962 14.497 1.00 22.79 C ATOM 568 OG1 THR A 37 -0.939 -3.440 15.727 1.00 25.05 O ATOM 569 CG2 THR A 37 -0.414 -4.922 13.865 1.00 26.83 C ATOM 570 HA THR A 37 -0.876 -2.181 13.288 1.00 0.00 H ATOM 571 HB THR A 37 -2.379 -4.534 14.653 1.00 0.00 H ATOM 572 HG1 THR A 37 -0.731 -4.189 16.340 1.00 0.00 H ATOM 573 HG23 THR A 37 -0.806 -5.322 12.930 1.00 0.00 H ATOM 574 HG21 THR A 37 0.507 -4.373 13.669 1.00 0.00 H ATOM 575 HG22 THR A 37 -0.210 -5.741 14.555 1.00 0.00 H ATOM 576 H THR A 37 -3.009 -2.031 15.188 1.00 0.00 H ATOM 577 N GLN A 38 -1.718 -3.168 11.113 1.00 23.55 N ATOM 578 CA GLN A 38 -2.194 -3.719 9.834 1.00 25.28 C ATOM 579 C GLN A 38 -1.538 -5.049 9.505 1.00 24.76 C ATOM 580 O GLN A 38 -0.388 -5.261 9.852 1.00 27.02 O ATOM 581 CB GLN A 38 -1.934 -2.709 8.705 1.00 26.21 C ATOM 582 CG GLN A 38 -2.511 -1.324 8.995 1.00 27.23 C ATOM 583 CD GLN A 38 -2.414 -0.388 7.778 1.00 33.36 C ATOM 584 OE1 GLN A 38 -2.260 -0.849 6.639 1.00 35.79 O ATOM 585 NE2 GLN A 38 -2.519 0.920 8.015 1.00 33.24 N ATOM 586 HA GLN A 38 -3.265 -3.900 9.929 1.00 0.00 H ATOM 587 HB2 GLN A 38 -0.857 -2.614 8.565 1.00 0.00 H ATOM 588 HB3 GLN A 38 -2.386 -3.089 7.789 1.00 0.00 H ATOM 589 HG2 GLN A 38 -3.559 -1.431 9.273 1.00 0.00 H ATOM 590 HG3 GLN A 38 -1.960 -0.880 9.824 1.00 0.00 H ATOM 591 HE22 GLN A 38 -2.648 1.263 8.988 1.00 0.00 H ATOM 592 HE21 GLN A 38 -2.472 1.597 7.227 1.00 0.00 H ATOM 593 H GLN A 38 -0.807 -2.667 11.136 1.00 0.00 H ATOM 594 N THR A 39 -2.290 -5.942 8.853 1.00 25.21 N ATOM 595 CA THR A 39 -1.721 -7.151 8.279 1.00 26.54 C ATOM 596 C THR A 39 -2.023 -7.070 6.827 1.00 26.66 C ATOM 597 O THR A 39 -3.157 -6.806 6.459 1.00 26.77 O ATOM 598 CB THR A 39 -2.364 -8.351 8.907 1.00 27.63 C ATOM 599 OG1 THR A 39 -2.044 -8.271 10.297 1.00 30.07 O ATOM 600 CG2 THR A 39 -1.856 -9.651 8.315 1.00 29.42 C ATOM 601 HA THR A 39 -0.648 -7.241 8.451 1.00 0.00 H ATOM 602 HB THR A 39 -3.439 -8.350 8.729 1.00 0.00 H ATOM 603 HG1 THR A 39 -2.407 -7.429 10.670 1.00 0.00 H ATOM 604 HG23 THR A 39 -2.111 -9.690 7.256 1.00 0.00 H ATOM 605 HG21 THR A 39 -0.774 -9.703 8.432 1.00 0.00 H ATOM 606 HG22 THR A 39 -2.320 -10.490 8.833 1.00 0.00 H ATOM 607 H THR A 39 -3.310 -5.767 8.754 1.00 0.00 H ATOM 608 N LEU A 40 -0.981 -7.231 6.010 1.00 26.80 N ATOM 609 CA LEU A 40 -1.092 -7.184 4.555 1.00 26.15 C ATOM 610 C LEU A 40 -0.810 -8.598 4.063 1.00 25.97 C ATOM 611 O LEU A 40 0.246 -9.134 4.332 1.00 29.49 O ATOM 612 CB LEU A 40 -0.072 -6.178 4.017 1.00 24.90 C ATOM 613 CG LEU A 40 0.260 -6.067 2.538 1.00 27.70 C ATOM 614 CD1 LEU A 40 -1.014 -5.976 1.705 1.00 30.88 C ATOM 615 CD2 LEU A 40 1.190 -4.916 2.260 1.00 28.00 C ATOM 616 HA LEU A 40 -2.076 -6.863 4.213 1.00 0.00 H ATOM 617 HB2 LEU A 40 -0.426 -5.194 4.323 1.00 0.00 H ATOM 618 HB3 LEU A 40 0.868 -6.398 4.523 1.00 0.00 H ATOM 619 HG LEU A 40 0.787 -6.975 2.245 1.00 0.00 H ATOM 620 HD21 LEU A 40 0.719 -3.985 2.577 1.00 0.00 H ATOM 621 HD22 LEU A 40 2.120 -5.060 2.811 1.00 0.00 H ATOM 622 HD23 LEU A 40 1.402 -4.872 1.192 1.00 0.00 H ATOM 623 HD11 LEU A 40 -1.616 -6.870 1.865 1.00 0.00 H ATOM 624 HD12 LEU A 40 -1.582 -5.096 2.006 1.00 0.00 H ATOM 625 HD13 LEU A 40 -0.752 -5.897 0.650 1.00 0.00 H ATOM 626 H LEU A 40 -0.044 -7.398 6.430 1.00 0.00 H ATOM 627 N VAL A 41 -1.754 -9.180 3.349 1.00 26.10 N ATOM 628 CA VAL A 41 -1.616 -10.504 2.781 1.00 26.70 C ATOM 629 C VAL A 41 -1.606 -10.328 1.261 1.00 26.27 C ATOM 630 O VAL A 41 -2.565 -9.808 0.694 1.00 27.98 O ATOM 631 CB VAL A 41 -2.656 -11.523 3.321 1.00 28.45 C ATOM 632 CG1 VAL A 41 -2.662 -11.483 4.813 1.00 28.32 C ATOM 633 CG2 VAL A 41 -4.040 -11.230 2.884 1.00 29.80 C ATOM 634 HA VAL A 41 -0.679 -10.965 3.094 1.00 0.00 H ATOM 635 HB VAL A 41 -2.359 -12.495 2.927 1.00 0.00 H ATOM 636 HG11 VAL A 41 -1.671 -11.741 5.186 1.00 0.00 H ATOM 637 HG12 VAL A 41 -2.927 -10.480 5.147 1.00 0.00 H ATOM 638 HG13 VAL A 41 -3.392 -12.198 5.191 1.00 0.00 H ATOM 639 HG21 VAL A 41 -4.331 -10.242 3.240 1.00 0.00 H ATOM 640 HG22 VAL A 41 -4.089 -11.254 1.795 1.00 0.00 H ATOM 641 HG23 VAL A 41 -4.716 -11.979 3.296 1.00 0.00 H ATOM 642 H VAL A 41 -2.641 -8.662 3.186 1.00 0.00 H ATOM 643 N ILE A 42 -0.488 -10.713 0.662 1.00 24.89 N ATOM 644 CA ILE A 42 -0.274 -10.653 -0.773 1.00 24.33 C ATOM 645 C ILE A 42 -0.195 -12.077 -1.365 1.00 26.67 C ATOM 646 O ILE A 42 0.617 -12.932 -0.898 1.00 26.34 O ATOM 647 CB ILE A 42 0.983 -9.876 -1.078 1.00 23.63 C ATOM 648 CG1 ILE A 42 0.911 -8.473 -0.425 1.00 22.03 C ATOM 649 CG2 ILE A 42 1.172 -9.816 -2.593 1.00 27.14 C ATOM 650 CD1 ILE A 42 2.141 -7.669 -0.551 1.00 25.26 C ATOM 651 HA ILE A 42 -1.118 -10.139 -1.234 1.00 0.00 H ATOM 652 HB ILE A 42 1.856 -10.372 -0.653 1.00 0.00 H ATOM 653 HG12 ILE A 42 0.096 -7.922 -0.894 1.00 0.00 H ATOM 654 HG13 ILE A 42 0.697 -8.603 0.636 1.00 0.00 H ATOM 655 HD11 ILE A 42 2.968 -8.196 -0.075 1.00 0.00 H ATOM 656 HD12 ILE A 42 2.366 -7.514 -1.606 1.00 0.00 H ATOM 657 HD13 ILE A 42 1.995 -6.705 -0.064 1.00 0.00 H ATOM 658 HG21 ILE A 42 1.259 -10.828 -2.987 1.00 0.00 H ATOM 659 HG22 ILE A 42 0.313 -9.321 -3.046 1.00 0.00 H ATOM 660 HG23 ILE A 42 2.078 -9.256 -2.823 1.00 0.00 H ATOM 661 H ILE A 42 0.283 -11.080 1.256 1.00 0.00 H ATOM 662 N ASP A 43 -1.073 -12.340 -2.334 1.00 28.10 N ATOM 663 CA ASP A 43 -1.068 -13.539 -3.143 1.00 30.07 C ATOM 664 C ASP A 43 -0.672 -13.090 -4.563 1.00 29.20 C ATOM 665 O ASP A 43 -1.493 -12.507 -5.253 1.00 29.88 O ATOM 666 CB ASP A 43 -2.495 -14.136 -3.159 1.00 32.06 C ATOM 667 CG ASP A 43 -2.588 -15.468 -3.903 1.00 38.61 C ATOM 668 OD1 ASP A 43 -3.482 -16.292 -3.558 1.00 45.11 O ATOM 669 OD2 ASP A 43 -1.774 -15.715 -4.826 1.00 44.07 O ATOM 670 HA ASP A 43 -0.381 -14.294 -2.760 1.00 0.00 H ATOM 671 HB2 ASP A 43 -2.816 -14.292 -2.129 1.00 0.00 H ATOM 672 HB3 ASP A 43 -3.163 -13.423 -3.642 1.00 0.00 H ATOM 673 H ASP A 43 -1.813 -11.634 -2.521 1.00 0.00 H ATOM 674 N GLN A 44 0.547 -13.447 -4.982 1.00 28.87 N ATOM 675 CA GLN A 44 1.169 -13.017 -6.242 1.00 28.88 C ATOM 676 C GLN A 44 1.522 -14.249 -7.072 1.00 29.22 C ATOM 677 O GLN A 44 2.329 -15.115 -6.622 1.00 28.26 O ATOM 678 CB GLN A 44 2.438 -12.257 -5.923 1.00 27.89 C ATOM 679 CG GLN A 44 3.299 -11.855 -7.112 1.00 29.65 C ATOM 680 CD GLN A 44 4.604 -11.240 -6.708 1.00 27.82 C ATOM 681 OE1 GLN A 44 4.800 -10.854 -5.570 1.00 34.72 O ATOM 682 NE2 GLN A 44 5.500 -11.086 -7.659 1.00 32.35 N ATOM 683 HA GLN A 44 0.481 -12.382 -6.800 1.00 0.00 H ATOM 684 HB2 GLN A 44 2.156 -11.347 -5.393 1.00 0.00 H ATOM 685 HB3 GLN A 44 3.045 -12.883 -5.269 1.00 0.00 H ATOM 686 HG2 GLN A 44 3.503 -12.743 -7.709 1.00 0.00 H ATOM 687 HG3 GLN A 44 2.746 -11.134 -7.714 1.00 0.00 H ATOM 688 HE22 GLN A 44 5.301 -11.427 -8.621 1.00 0.00 H ATOM 689 HE21 GLN A 44 6.407 -10.623 -7.449 1.00 0.00 H ATOM 690 H GLN A 44 1.098 -14.079 -4.367 1.00 0.00 H ATOM 691 N ASP A 45 0.915 -14.326 -8.248 1.00 28.99 N ATOM 692 CA ASP A 45 1.148 -15.414 -9.180 1.00 30.22 C ATOM 693 C ASP A 45 1.435 -14.745 -10.524 1.00 28.66 C ATOM 694 O ASP A 45 0.516 -14.227 -11.183 1.00 27.46 O ATOM 695 CB ASP A 45 -0.133 -16.249 -9.266 1.00 31.74 C ATOM 696 CG ASP A 45 -0.040 -17.366 -10.300 1.00 35.65 C ATOM 697 OD1 ASP A 45 1.105 -17.775 -10.663 1.00 42.87 O ATOM 698 OD2 ASP A 45 -1.117 -17.826 -10.749 1.00 41.32 O ATOM 699 HA ASP A 45 1.969 -16.066 -8.882 1.00 0.00 H ATOM 700 HB2 ASP A 45 -0.326 -16.693 -8.289 1.00 0.00 H ATOM 701 HB3 ASP A 45 -0.960 -15.592 -9.535 1.00 0.00 H ATOM 702 H ASP A 45 0.245 -13.576 -8.514 1.00 0.00 H ATOM 703 N GLY A 46 2.706 -14.746 -10.911 1.00 28.57 N ATOM 704 CA GLY A 46 3.100 -14.106 -12.168 1.00 29.89 C ATOM 705 C GLY A 46 2.744 -12.633 -11.984 1.00 28.08 C ATOM 706 O GLY A 46 3.087 -11.998 -10.938 1.00 29.76 O ATOM 707 HA3 GLY A 46 2.549 -14.533 -13.006 1.00 0.00 H ATOM 708 HA2 GLY A 46 4.170 -14.224 -12.341 1.00 0.00 H ATOM 709 H GLY A 46 3.426 -15.204 -10.317 1.00 0.00 H ATOM 710 N ASP A 47 2.028 -12.102 -12.961 1.00 27.42 N ATOM 711 CA ASP A 47 1.643 -10.691 -12.889 1.00 26.77 C ATOM 712 C ASP A 47 0.410 -10.395 -12.090 1.00 26.09 C ATOM 713 O ASP A 47 0.042 -9.227 -11.954 1.00 21.97 O ATOM 714 CB ASP A 47 1.439 -10.147 -14.282 1.00 27.65 C ATOM 715 CG ASP A 47 2.667 -10.195 -15.060 1.00 31.33 C ATOM 716 OD1 ASP A 47 2.587 -10.640 -16.216 1.00 38.65 O ATOM 717 OD2 ASP A 47 3.724 -9.797 -14.504 1.00 36.26 O ATOM 718 HA ASP A 47 2.469 -10.209 -12.367 1.00 0.00 H ATOM 719 HB2 ASP A 47 0.677 -10.741 -14.786 1.00 0.00 H ATOM 720 HB3 ASP A 47 1.104 -9.112 -14.213 1.00 0.00 H ATOM 721 H ASP A 47 1.740 -12.682 -13.775 1.00 0.00 H ATOM 722 N ASN A 48 -0.195 -11.414 -11.493 1.00 25.36 N ATOM 723 CA ASN A 48 -1.532 -11.175 -10.880 1.00 27.72 C ATOM 724 C ASN A 48 -1.442 -11.069 -9.399 1.00 26.89 C ATOM 725 O ASN A 48 -0.941 -12.001 -8.738 1.00 28.35 O ATOM 726 CB ASN A 48 -2.536 -12.282 -11.207 1.00 28.53 C ATOM 727 CG ASN A 48 -2.652 -12.529 -12.682 1.00 34.79 C ATOM 728 OD1 ASN A 48 -2.432 -13.664 -13.139 1.00 42.52 O ATOM 729 ND2 ASN A 48 -2.958 -11.481 -13.455 1.00 41.26 N ATOM 730 HA ASN A 48 -1.881 -10.235 -11.308 1.00 0.00 H ATOM 731 HB2 ASN A 48 -2.213 -13.203 -10.722 1.00 0.00 H ATOM 732 HB3 ASN A 48 -3.514 -11.993 -10.822 1.00 0.00 H ATOM 733 HD22 ASN A 48 -3.133 -10.551 -13.024 1.00 0.00 H ATOM 734 HD21 ASN A 48 -3.020 -11.596 -14.487 1.00 0.00 H ATOM 735 H ASN A 48 0.251 -12.353 -11.454 1.00 0.00 H ATOM 736 N PHE A 49 -1.897 -9.933 -8.878 1.00 24.53 N ATOM 737 CA PHE A 49 -1.855 -9.736 -7.447 1.00 24.59 C ATOM 738 C PHE A 49 -3.215 -9.728 -6.872 1.00 24.17 C ATOM 739 O PHE A 49 -4.106 -9.037 -7.353 1.00 25.35 O ATOM 740 CB PHE A 49 -1.199 -8.391 -7.114 1.00 23.62 C ATOM 741 CG PHE A 49 0.301 -8.383 -7.252 1.00 22.54 C ATOM 742 CD1 PHE A 49 0.936 -8.412 -8.482 1.00 22.58 C ATOM 743 CD2 PHE A 49 1.090 -8.333 -6.101 1.00 22.15 C ATOM 744 CE1 PHE A 49 2.355 -8.319 -8.572 1.00 22.93 C ATOM 745 CE2 PHE A 49 2.501 -8.293 -6.196 1.00 26.20 C ATOM 746 CZ PHE A 49 3.112 -8.280 -7.381 1.00 23.90 C ATOM 747 HA PHE A 49 -1.279 -10.559 -7.024 1.00 0.00 H ATOM 748 HB2 PHE A 49 -1.608 -7.636 -7.785 1.00 0.00 H ATOM 749 HB3 PHE A 49 -1.449 -8.134 -6.085 1.00 0.00 H ATOM 750 HD2 PHE A 49 0.614 -8.325 -5.120 1.00 0.00 H ATOM 751 HE2 PHE A 49 3.099 -8.272 -5.285 1.00 0.00 H ATOM 752 HZ PHE A 49 4.200 -8.239 -7.430 1.00 0.00 H ATOM 753 HE1 PHE A 49 2.847 -8.279 -9.544 1.00 0.00 H ATOM 754 HD1 PHE A 49 0.344 -8.507 -9.392 1.00 0.00 H ATOM 755 H PHE A 49 -2.281 -9.191 -9.497 1.00 0.00 H ATOM 756 N LYS A 50 -3.357 -10.376 -5.720 1.00 25.24 N ATOM 757 CA LYS A 50 -4.588 -10.242 -4.922 1.00 25.15 C ATOM 758 C LYS A 50 -4.134 -9.807 -3.523 1.00 26.94 C ATOM 759 O LYS A 50 -3.375 -10.520 -2.877 1.00 27.22 O ATOM 760 CB LYS A 50 -5.336 -11.581 -4.869 1.00 26.52 C ATOM 761 HA LYS A 50 -5.276 -9.516 -5.355 1.00 0.00 H ATOM 762 HB2 LYS A 50 -5.599 -11.889 -5.881 1.00 0.00 H ATOM 763 HB3 LYS A 50 -4.695 -12.336 -4.413 1.00 0.00 H ATOM 764 H LYS A 50 -2.588 -10.986 -5.377 1.00 0.00 H ATOM 765 N THR A 51 -4.517 -8.601 -3.111 1.00 26.13 N ATOM 766 CA THR A 51 -4.097 -8.046 -1.815 1.00 27.72 C ATOM 767 C THR A 51 -5.267 -7.809 -0.853 1.00 28.45 C ATOM 768 O THR A 51 -6.363 -7.343 -1.249 1.00 27.47 O ATOM 769 CB THR A 51 -3.203 -6.732 -1.905 1.00 26.83 C ATOM 770 OG1 THR A 51 -4.015 -5.590 -2.256 1.00 30.93 O ATOM 771 CG2 THR A 51 -2.063 -6.896 -2.873 1.00 23.52 C ATOM 772 HA THR A 51 -3.461 -8.833 -1.410 1.00 0.00 H ATOM 773 HB THR A 51 -2.769 -6.561 -0.920 1.00 0.00 H ATOM 774 HG1 THR A 51 -4.444 -5.749 -3.134 1.00 0.00 H ATOM 775 HG23 THR A 51 -1.467 -7.762 -2.587 1.00 0.00 H ATOM 776 HG21 THR A 51 -2.459 -7.042 -3.878 1.00 0.00 H ATOM 777 HG22 THR A 51 -1.440 -6.002 -2.853 1.00 0.00 H ATOM 778 H THR A 51 -5.134 -8.032 -3.726 1.00 0.00 H ATOM 779 N LYS A 52 -5.019 -8.089 0.428 1.00 30.22 N ATOM 780 CA LYS A 52 -5.993 -7.840 1.488 1.00 30.92 C ATOM 781 C LYS A 52 -5.243 -7.133 2.620 1.00 31.83 C ATOM 782 O LYS A 52 -4.260 -7.645 3.133 1.00 31.68 O ATOM 783 CB LYS A 52 -6.600 -9.162 1.978 1.00 31.91 C ATOM 784 HA LYS A 52 -6.816 -7.223 1.128 1.00 0.00 H ATOM 785 HB2 LYS A 52 -7.098 -9.662 1.147 1.00 0.00 H ATOM 786 HB3 LYS A 52 -5.808 -9.802 2.366 1.00 0.00 H ATOM 787 H LYS A 52 -4.098 -8.500 0.681 1.00 0.00 H ATOM 788 N THR A 53 -5.665 -5.921 2.990 1.00 32.65 N ATOM 789 CA THR A 53 -5.077 -5.288 4.186 1.00 33.13 C ATOM 790 C THR A 53 -6.164 -5.329 5.254 1.00 32.82 C ATOM 791 O THR A 53 -7.303 -4.949 4.998 1.00 34.69 O ATOM 792 CB THR A 53 -4.593 -3.839 3.942 1.00 33.85 C ATOM 793 OG1 THR A 53 -3.902 -3.745 2.694 1.00 35.21 O ATOM 794 CG2 THR A 53 -3.670 -3.351 5.099 1.00 32.89 C ATOM 795 HA THR A 53 -4.179 -5.828 4.487 1.00 0.00 H ATOM 796 HB THR A 53 -5.473 -3.196 3.911 1.00 0.00 H ATOM 797 HG1 THR A 53 -4.512 -4.009 1.960 1.00 0.00 H ATOM 798 HG23 THR A 53 -4.205 -3.426 6.046 1.00 0.00 H ATOM 799 HG21 THR A 53 -2.776 -3.973 5.135 1.00 0.00 H ATOM 800 HG22 THR A 53 -3.386 -2.314 4.922 1.00 0.00 H ATOM 801 H THR A 53 -6.399 -5.429 2.442 1.00 0.00 H ATOM 802 N THR A 54 -5.823 -5.837 6.428 1.00 33.18 N ATOM 803 CA THR A 54 -6.780 -6.131 7.501 1.00 32.18 C ATOM 804 C THR A 54 -6.291 -5.455 8.785 1.00 32.33 C ATOM 805 O THR A 54 -5.096 -5.349 9.028 1.00 30.25 O ATOM 806 CB THR A 54 -6.849 -7.662 7.834 1.00 32.91 C ATOM 807 OG1 THR A 54 -5.604 -8.072 8.385 1.00 36.78 O ATOM 808 CG2 THR A 54 -7.165 -8.536 6.609 1.00 33.60 C ATOM 809 HA THR A 54 -7.755 -5.779 7.165 1.00 0.00 H ATOM 810 HB THR A 54 -7.665 -7.798 8.544 1.00 0.00 H ATOM 811 HG1 THR A 54 -5.641 -9.038 8.598 1.00 0.00 H ATOM 812 HG23 THR A 54 -8.119 -8.228 6.181 1.00 0.00 H ATOM 813 HG21 THR A 54 -6.376 -8.417 5.866 1.00 0.00 H ATOM 814 HG22 THR A 54 -7.223 -9.581 6.915 1.00 0.00 H ATOM 815 H THR A 54 -4.818 -6.040 6.600 1.00 0.00 H ATOM 816 N SER A 55 -7.230 -5.054 9.624 1.00 32.80 N ATOM 817 CA SER A 55 -6.923 -4.449 10.907 1.00 33.32 C ATOM 818 C SER A 55 -8.116 -4.876 11.744 1.00 35.61 C ATOM 819 O SER A 55 -9.085 -5.453 11.198 1.00 35.08 O ATOM 820 CB SER A 55 -6.829 -2.922 10.777 1.00 32.64 C ATOM 821 OG SER A 55 -8.111 -2.367 10.523 1.00 31.53 O ATOM 822 HA SER A 55 -5.967 -4.752 11.334 1.00 0.00 H ATOM 823 HB2 SER A 55 -6.160 -2.672 9.954 1.00 0.00 H ATOM 824 HB3 SER A 55 -6.434 -2.506 11.704 1.00 0.00 H ATOM 825 HG SER A 55 -8.470 -2.741 9.680 1.00 0.00 H ATOM 826 H SER A 55 -8.227 -5.177 9.355 1.00 0.00 H ATOM 827 N THR A 56 -8.073 -4.596 13.047 1.00 37.02 N ATOM 828 CA THR A 56 -9.213 -4.907 13.920 1.00 40.58 C ATOM 829 C THR A 56 -10.476 -4.211 13.416 1.00 42.08 C ATOM 830 O THR A 56 -11.568 -4.740 13.544 1.00 44.52 O ATOM 831 CB THR A 56 -8.959 -4.465 15.343 1.00 39.63 C ATOM 832 OG1 THR A 56 -8.828 -3.044 15.360 1.00 42.31 O ATOM 833 CG2 THR A 56 -7.708 -5.052 15.801 1.00 40.13 C ATOM 834 HA THR A 56 -9.345 -5.989 13.901 1.00 0.00 H ATOM 835 HB THR A 56 -9.780 -4.780 15.988 1.00 0.00 H ATOM 836 HG1 THR A 56 -8.661 -2.740 16.287 1.00 0.00 H ATOM 837 HG23 THR A 56 -7.794 -6.139 15.793 1.00 0.00 H ATOM 838 HG21 THR A 56 -6.900 -4.745 15.137 1.00 0.00 H ATOM 839 HG22 THR A 56 -7.497 -4.710 16.814 1.00 0.00 H ATOM 840 H THR A 56 -7.223 -4.152 13.450 1.00 0.00 H ATOM 841 N PHE A 57 -10.283 -3.040 12.821 1.00 43.92 N ATOM 842 CA PHE A 57 -11.286 -2.186 12.234 1.00 45.85 C ATOM 843 C PHE A 57 -11.461 -2.580 10.742 1.00 47.07 C ATOM 844 O PHE A 57 -11.651 -3.765 10.399 1.00 47.50 O ATOM 845 CB PHE A 57 -10.731 -0.764 12.407 1.00 46.26 C ATOM 846 CG PHE A 57 -11.596 0.374 11.874 1.00 49.12 C ATOM 847 CD1 PHE A 57 -12.933 0.536 12.253 1.00 50.63 C ATOM 848 CD2 PHE A 57 -11.010 1.361 11.067 1.00 52.20 C ATOM 849 CE1 PHE A 57 -13.683 1.641 11.773 1.00 51.10 C ATOM 850 CE2 PHE A 57 -11.748 2.455 10.579 1.00 52.22 C ATOM 851 CZ PHE A 57 -13.087 2.599 10.943 1.00 51.92 C ATOM 852 HA PHE A 57 -12.271 -2.269 12.694 1.00 0.00 H ATOM 853 HB2 PHE A 57 -10.580 -0.594 13.473 1.00 0.00 H ATOM 854 HB3 PHE A 57 -9.770 -0.718 11.894 1.00 0.00 H ATOM 855 HD2 PHE A 57 -9.954 1.278 10.811 1.00 0.00 H ATOM 856 HE2 PHE A 57 -11.277 3.185 9.921 1.00 0.00 H ATOM 857 HZ PHE A 57 -13.665 3.451 10.584 1.00 0.00 H ATOM 858 HE1 PHE A 57 -14.731 1.745 12.053 1.00 0.00 H ATOM 859 HD1 PHE A 57 -13.400 -0.189 12.919 1.00 0.00 H ATOM 860 H PHE A 57 -9.301 -2.701 12.773 1.00 0.00 H ATOM 861 N ARG A 58 -11.332 -1.583 9.873 1.00 47.48 N ATOM 862 CA ARG A 58 -11.676 -1.643 8.458 1.00 47.63 C ATOM 863 C ARG A 58 -10.635 -2.402 7.638 1.00 48.01 C ATOM 864 O ARG A 58 -9.441 -2.400 7.972 1.00 47.83 O ATOM 865 CB ARG A 58 -11.797 -0.184 7.977 1.00 48.41 C ATOM 866 CG ARG A 58 -12.405 0.081 6.627 1.00 49.31 C ATOM 867 CD ARG A 58 -12.454 1.590 6.338 1.00 53.35 C ATOM 868 NE ARG A 58 -13.346 2.314 7.254 1.00 56.23 N ATOM 869 CZ ARG A 58 -13.760 3.574 7.088 1.00 56.21 C ATOM 870 NH1 ARG A 58 -13.378 4.297 6.034 1.00 55.28 N ATOM 871 NH2 ARG A 58 -14.574 4.117 7.985 1.00 56.96 N ATOM 872 HA ARG A 58 -12.610 -2.189 8.323 1.00 0.00 H ATOM 873 HB2 ARG A 58 -12.401 0.348 8.712 1.00 0.00 H ATOM 874 HB3 ARG A 58 -10.791 0.235 7.964 1.00 0.00 H ATOM 875 HG2 ARG A 58 -11.805 -0.411 5.861 1.00 0.00 H ATOM 876 HG3 ARG A 58 -13.418 -0.320 6.606 1.00 0.00 H ATOM 877 HD2 ARG A 58 -12.807 1.739 5.317 1.00 0.00 H ATOM 878 HD3 ARG A 58 -11.448 1.997 6.436 1.00 0.00 H ATOM 879 HE ARG A 58 -13.681 1.806 8.097 1.00 0.00 H ATOM 880 HH12 ARG A 58 -13.713 5.276 5.926 1.00 0.00 H ATOM 881 HH11 ARG A 58 -12.745 3.882 5.321 1.00 0.00 H ATOM 882 HH22 ARG A 58 -14.901 5.097 7.864 1.00 0.00 H ATOM 883 HH21 ARG A 58 -14.884 3.563 8.808 1.00 0.00 H ATOM 884 H ARG A 58 -10.954 -0.684 10.233 1.00 0.00 H ATOM 885 N ASN A 59 -11.096 -3.039 6.556 1.00 48.18 N ATOM 886 CA ASN A 59 -10.218 -3.738 5.606 1.00 48.05 C ATOM 887 C ASN A 59 -10.349 -3.216 4.188 1.00 47.60 C ATOM 888 O ASN A 59 -11.401 -2.681 3.793 1.00 47.80 O ATOM 889 CB ASN A 59 -10.493 -5.238 5.626 1.00 48.63 C ATOM 890 CG ASN A 59 -11.009 -5.696 6.962 1.00 49.25 C ATOM 891 OD1 ASN A 59 -12.194 -6.002 7.099 1.00 51.18 O ATOM 892 ND2 ASN A 59 -10.138 -5.675 7.982 1.00 49.59 N ATOM 893 HA ASN A 59 -9.196 -3.544 5.932 1.00 0.00 H ATOM 894 HB2 ASN A 59 -11.235 -5.471 4.863 1.00 0.00 H ATOM 895 HB3 ASN A 59 -9.567 -5.769 5.405 1.00 0.00 H ATOM 896 HD22 ASN A 59 -9.147 -5.409 7.814 1.00 0.00 H ATOM 897 HD21 ASN A 59 -10.454 -5.924 8.941 1.00 0.00 H ATOM 898 H ASN A 59 -12.121 -3.040 6.379 1.00 0.00 H ATOM 899 N TYR A 60 -9.273 -3.375 3.431 1.00 45.85 N ATOM 900 CA TYR A 60 -9.219 -2.941 2.056 1.00 44.74 C ATOM 901 C TYR A 60 -8.694 -4.110 1.211 1.00 43.34 C ATOM 902 O TYR A 60 -7.636 -4.653 1.499 1.00 41.75 O ATOM 903 CB TYR A 60 -8.331 -1.693 1.944 1.00 46.31 C ATOM 904 CG TYR A 60 -8.662 -0.799 0.757 1.00 49.84 C ATOM 905 CD1 TYR A 60 -9.997 -0.521 0.427 1.00 52.89 C ATOM 906 CD2 TYR A 60 -7.649 -0.215 -0.020 1.00 53.34 C ATOM 907 CE1 TYR A 60 -10.333 0.293 -0.665 1.00 55.71 C ATOM 908 CE2 TYR A 60 -7.978 0.629 -1.124 1.00 55.95 C ATOM 909 CZ TYR A 60 -9.326 0.870 -1.428 1.00 56.80 C ATOM 910 OH TYR A 60 -9.694 1.675 -2.491 1.00 58.10 O ATOM 911 HA TYR A 60 -10.206 -2.662 1.688 1.00 0.00 H ATOM 912 HB3 TYR A 60 -7.295 -2.017 1.850 1.00 0.00 H ATOM 913 HB2 TYR A 60 -8.446 -1.108 2.856 1.00 0.00 H ATOM 914 HD2 TYR A 60 -6.604 -0.407 0.221 1.00 0.00 H ATOM 915 HE2 TYR A 60 -7.189 1.082 -1.725 1.00 0.00 H ATOM 916 HE1 TYR A 60 -11.379 0.472 -0.913 1.00 0.00 H ATOM 917 HD1 TYR A 60 -10.794 -0.949 1.035 1.00 0.00 H ATOM 918 HH TYR A 60 -10.682 1.722 -2.542 1.00 0.00 H ATOM 919 H TYR A 60 -8.434 -3.831 3.844 1.00 0.00 H ATOM 920 N ASP A 61 -9.486 -4.541 0.228 1.00 41.68 N ATOM 921 CA ASP A 61 -9.051 -5.528 -0.754 1.00 40.41 C ATOM 922 C ASP A 61 -8.717 -4.751 -2.030 1.00 38.55 C ATOM 923 O ASP A 61 -9.447 -3.810 -2.403 1.00 38.54 O ATOM 924 CB ASP A 61 -10.153 -6.553 -1.060 1.00 42.19 C ATOM 925 CG ASP A 61 -10.809 -7.121 0.188 1.00 43.62 C ATOM 926 OD1 ASP A 61 -10.201 -7.083 1.287 1.00 44.27 O ATOM 927 OD2 ASP A 61 -11.956 -7.607 0.039 1.00 47.30 O ATOM 928 HA ASP A 61 -8.195 -6.082 -0.368 1.00 0.00 H ATOM 929 HB2 ASP A 61 -10.920 -6.067 -1.664 1.00 0.00 H ATOM 930 HB3 ASP A 61 -9.714 -7.375 -1.625 1.00 0.00 H ATOM 931 H ASP A 61 -10.451 -4.159 0.159 1.00 0.00 H ATOM 932 N VAL A 62 -7.578 -5.085 -2.634 1.00 36.01 N ATOM 933 CA VAL A 62 -7.113 -4.473 -3.894 1.00 35.06 C ATOM 934 C VAL A 62 -6.559 -5.652 -4.726 1.00 33.48 C ATOM 935 O VAL A 62 -5.619 -6.321 -4.248 1.00 32.87 O ATOM 936 CB VAL A 62 -5.941 -3.417 -3.656 1.00 34.85 C ATOM 937 CG1 VAL A 62 -5.486 -2.789 -4.955 1.00 35.69 C ATOM 938 CG2 VAL A 62 -6.313 -2.310 -2.687 1.00 36.19 C ATOM 939 HA VAL A 62 -7.926 -3.934 -4.380 1.00 0.00 H ATOM 940 HB VAL A 62 -5.129 -3.994 -3.214 1.00 0.00 H ATOM 941 HG11 VAL A 62 -5.119 -3.567 -5.624 1.00 0.00 H ATOM 942 HG12 VAL A 62 -6.325 -2.273 -5.421 1.00 0.00 H ATOM 943 HG13 VAL A 62 -4.687 -2.076 -4.752 1.00 0.00 H ATOM 944 HG21 VAL A 62 -7.173 -1.763 -3.075 1.00 0.00 H ATOM 945 HG22 VAL A 62 -6.563 -2.745 -1.719 1.00 0.00 H ATOM 946 HG23 VAL A 62 -5.469 -1.629 -2.573 1.00 0.00 H ATOM 947 H VAL A 62 -6.984 -5.817 -2.194 1.00 0.00 H ATOM 948 N ASP A 63 -7.122 -5.952 -5.903 1.00 31.39 N ATOM 949 CA ASP A 63 -6.484 -6.920 -6.824 1.00 30.16 C ATOM 950 C ASP A 63 -6.079 -6.201 -8.098 1.00 29.96 C ATOM 951 O ASP A 63 -6.774 -5.294 -8.537 1.00 30.48 O ATOM 952 CB ASP A 63 -7.396 -8.079 -7.292 1.00 30.66 C ATOM 953 CG ASP A 63 -7.950 -8.887 -6.172 1.00 34.58 C ATOM 954 OD1 ASP A 63 -7.375 -8.856 -5.060 1.00 36.36 O ATOM 955 OD2 ASP A 63 -8.992 -9.541 -6.427 1.00 38.85 O ATOM 956 HA ASP A 63 -5.655 -7.336 -6.252 1.00 0.00 H ATOM 957 HB2 ASP A 63 -8.227 -7.658 -7.858 1.00 0.00 H ATOM 958 HB3 ASP A 63 -6.815 -8.737 -7.938 1.00 0.00 H ATOM 959 H ASP A 63 -8.018 -5.500 -6.174 1.00 0.00 H ATOM 960 N PHE A 64 -4.964 -6.606 -8.686 1.00 26.57 N ATOM 961 CA PHE A 64 -4.508 -6.001 -9.930 1.00 26.28 C ATOM 962 C PHE A 64 -3.562 -6.899 -10.684 1.00 24.93 C ATOM 963 O PHE A 64 -3.001 -7.862 -10.148 1.00 25.53 O ATOM 964 CB PHE A 64 -3.832 -4.638 -9.687 1.00 25.45 C ATOM 965 CG PHE A 64 -2.670 -4.704 -8.715 1.00 25.15 C ATOM 966 CD1 PHE A 64 -1.366 -5.029 -9.154 1.00 25.46 C ATOM 967 CD2 PHE A 64 -2.892 -4.473 -7.385 1.00 24.97 C ATOM 968 CE1 PHE A 64 -0.271 -5.078 -8.205 1.00 26.35 C ATOM 969 CE2 PHE A 64 -1.834 -4.487 -6.409 1.00 26.44 C ATOM 970 CZ PHE A 64 -0.525 -4.819 -6.829 1.00 24.79 C ATOM 971 HA PHE A 64 -5.401 -5.851 -10.536 1.00 0.00 H ATOM 972 HB2 PHE A 64 -3.463 -4.260 -10.641 1.00 0.00 H ATOM 973 HB3 PHE A 64 -4.577 -3.949 -9.288 1.00 0.00 H ATOM 974 HD2 PHE A 64 -3.910 -4.270 -7.051 1.00 0.00 H ATOM 975 HE2 PHE A 64 -2.038 -4.246 -5.366 1.00 0.00 H ATOM 976 HZ PHE A 64 0.285 -4.876 -6.102 1.00 0.00 H ATOM 977 HE1 PHE A 64 0.739 -5.311 -8.543 1.00 0.00 H ATOM 978 HD1 PHE A 64 -1.184 -5.243 -10.207 1.00 0.00 H ATOM 979 H PHE A 64 -4.405 -7.368 -8.253 1.00 0.00 H ATOM 980 N THR A 65 -3.396 -6.568 -11.960 1.00 24.34 N ATOM 981 CA THR A 65 -2.444 -7.213 -12.848 1.00 23.85 C ATOM 982 C THR A 65 -1.403 -6.177 -13.207 1.00 23.40 C ATOM 983 O THR A 65 -1.734 -5.052 -13.697 1.00 21.49 O ATOM 984 CB THR A 65 -3.084 -7.741 -14.157 1.00 25.49 C ATOM 985 OG1 THR A 65 -4.259 -8.507 -13.820 1.00 28.10 O ATOM 986 CG2 THR A 65 -2.116 -8.556 -14.961 1.00 24.86 C ATOM 987 HA THR A 65 -2.028 -8.078 -12.332 1.00 0.00 H ATOM 988 HB THR A 65 -3.366 -6.894 -14.782 1.00 0.00 H ATOM 989 HG1 THR A 65 -4.903 -7.928 -13.340 1.00 0.00 H ATOM 990 HG23 THR A 65 -1.242 -7.950 -15.198 1.00 0.00 H ATOM 991 HG21 THR A 65 -1.809 -9.428 -14.383 1.00 0.00 H ATOM 992 HG22 THR A 65 -2.596 -8.881 -15.884 1.00 0.00 H ATOM 993 H THR A 65 -3.983 -5.801 -12.346 1.00 0.00 H ATOM 994 N VAL A 66 -0.156 -6.552 -13.037 1.00 24.08 N ATOM 995 CA VAL A 66 0.960 -5.631 -13.325 1.00 23.01 C ATOM 996 C VAL A 66 0.906 -5.228 -14.812 1.00 21.70 C ATOM 997 O VAL A 66 0.790 -6.102 -15.685 1.00 24.19 O ATOM 998 CB VAL A 66 2.319 -6.293 -12.980 1.00 23.79 C ATOM 999 CG1 VAL A 66 3.519 -5.524 -13.532 1.00 26.47 C ATOM 1000 CG2 VAL A 66 2.448 -6.502 -11.479 1.00 25.46 C ATOM 1001 HA VAL A 66 0.864 -4.738 -12.707 1.00 0.00 H ATOM 1002 HB VAL A 66 2.327 -7.265 -13.474 1.00 0.00 H ATOM 1003 HG11 VAL A 66 3.445 -5.468 -14.618 1.00 0.00 H ATOM 1004 HG12 VAL A 66 3.527 -4.517 -13.115 1.00 0.00 H ATOM 1005 HG13 VAL A 66 4.438 -6.040 -13.255 1.00 0.00 H ATOM 1006 HG21 VAL A 66 2.385 -5.539 -10.973 1.00 0.00 H ATOM 1007 HG22 VAL A 66 1.642 -7.149 -11.133 1.00 0.00 H ATOM 1008 HG23 VAL A 66 3.409 -6.968 -11.260 1.00 0.00 H ATOM 1009 H VAL A 66 0.048 -7.512 -12.694 1.00 0.00 H ATOM 1010 N GLY A 67 0.905 -3.928 -15.099 1.00 21.49 N ATOM 1011 CA GLY A 67 1.071 -3.490 -16.484 1.00 20.33 C ATOM 1012 C GLY A 67 -0.317 -3.327 -17.123 1.00 21.27 C ATOM 1013 O GLY A 67 -0.435 -3.050 -18.300 1.00 21.98 O ATOM 1014 HA3 GLY A 67 1.644 -4.234 -17.037 1.00 0.00 H ATOM 1015 HA2 GLY A 67 1.599 -2.537 -16.506 1.00 0.00 H ATOM 1016 H GLY A 67 0.787 -3.226 -14.341 1.00 0.00 H ATOM 1017 N VAL A 68 -1.367 -3.514 -16.346 1.00 20.38 N ATOM 1018 CA VAL A 68 -2.716 -3.428 -16.923 1.00 22.35 C ATOM 1019 C VAL A 68 -3.447 -2.303 -16.217 1.00 20.35 C ATOM 1020 O VAL A 68 -3.730 -2.384 -14.971 1.00 22.09 O ATOM 1021 CB VAL A 68 -3.481 -4.753 -16.774 1.00 23.01 C ATOM 1022 CG1 VAL A 68 -4.978 -4.503 -17.104 1.00 24.29 C ATOM 1023 CG2 VAL A 68 -2.871 -5.835 -17.643 1.00 24.08 C ATOM 1024 HA VAL A 68 -2.647 -3.228 -17.992 1.00 0.00 H ATOM 1025 HB VAL A 68 -3.407 -5.112 -15.748 1.00 0.00 H ATOM 1026 HG11 VAL A 68 -5.382 -3.762 -16.414 1.00 0.00 H ATOM 1027 HG12 VAL A 68 -5.067 -4.136 -18.127 1.00 0.00 H ATOM 1028 HG13 VAL A 68 -5.532 -5.436 -17.002 1.00 0.00 H ATOM 1029 HG21 VAL A 68 -2.909 -5.525 -18.687 1.00 0.00 H ATOM 1030 HG22 VAL A 68 -1.834 -5.995 -17.348 1.00 0.00 H ATOM 1031 HG23 VAL A 68 -3.433 -6.760 -17.517 1.00 0.00 H ATOM 1032 H VAL A 68 -1.241 -3.720 -15.334 1.00 0.00 H ATOM 1033 N GLU A 69 -3.706 -1.195 -16.946 1.00 21.04 N ATOM 1034 CA GLU A 69 -4.344 -0.029 -16.353 1.00 24.60 C ATOM 1035 C GLU A 69 -5.727 -0.429 -15.851 1.00 26.42 C ATOM 1036 O GLU A 69 -6.382 -1.299 -16.479 1.00 25.76 O ATOM 1037 CB GLU A 69 -4.362 1.156 -17.355 1.00 26.77 C ATOM 1038 CG GLU A 69 -5.059 2.398 -16.809 1.00 29.09 C ATOM 1039 CD GLU A 69 -4.771 3.691 -17.584 1.00 35.72 C ATOM 1040 OE1 GLU A 69 -4.135 4.628 -17.036 1.00 39.36 O ATOM 1041 OE2 GLU A 69 -5.216 3.790 -18.755 1.00 37.51 O ATOM 1042 HA GLU A 69 -3.774 0.327 -15.494 1.00 0.00 H ATOM 1043 HB2 GLU A 69 -3.333 1.417 -17.601 1.00 0.00 H ATOM 1044 HB3 GLU A 69 -4.881 0.837 -18.259 1.00 0.00 H ATOM 1045 HG2 GLU A 69 -6.134 2.221 -16.832 1.00 0.00 H ATOM 1046 HG3 GLU A 69 -4.737 2.542 -15.778 1.00 0.00 H ATOM 1047 H GLU A 69 -3.444 -1.175 -17.952 1.00 0.00 H ATOM 1048 N PHE A 70 -6.134 0.093 -14.696 1.00 25.66 N ATOM 1049 CA PHE A 70 -7.425 -0.285 -14.073 1.00 27.61 C ATOM 1050 C PHE A 70 -8.106 0.915 -13.422 1.00 29.79 C ATOM 1051 O PHE A 70 -7.448 1.779 -12.849 1.00 30.24 O ATOM 1052 CB PHE A 70 -7.354 -1.536 -13.167 1.00 26.77 C ATOM 1053 CG PHE A 70 -6.493 -1.397 -11.927 1.00 28.92 C ATOM 1054 CD1 PHE A 70 -5.112 -1.568 -11.984 1.00 26.57 C ATOM 1055 CD2 PHE A 70 -7.090 -1.217 -10.682 1.00 31.47 C ATOM 1056 CE1 PHE A 70 -4.321 -1.476 -10.810 1.00 30.98 C ATOM 1057 CE2 PHE A 70 -6.321 -1.152 -9.521 1.00 31.20 C ATOM 1058 CZ PHE A 70 -4.948 -1.279 -9.576 1.00 30.05 C ATOM 1059 HA PHE A 70 -8.073 -0.605 -14.889 1.00 0.00 H ATOM 1060 HB2 PHE A 70 -8.368 -1.777 -12.847 1.00 0.00 H ATOM 1061 HB3 PHE A 70 -6.957 -2.359 -13.761 1.00 0.00 H ATOM 1062 HD2 PHE A 70 -8.174 -1.126 -10.614 1.00 0.00 H ATOM 1063 HE2 PHE A 70 -6.810 -0.999 -8.559 1.00 0.00 H ATOM 1064 HZ PHE A 70 -4.356 -1.226 -8.663 1.00 0.00 H ATOM 1065 HE1 PHE A 70 -3.236 -1.558 -10.869 1.00 0.00 H ATOM 1066 HD1 PHE A 70 -4.634 -1.775 -12.941 1.00 0.00 H ATOM 1067 H PHE A 70 -5.527 0.788 -14.216 1.00 0.00 H ATOM 1068 N ASP A 71 -9.423 0.980 -13.577 1.00 29.99 N ATOM 1069 CA ASP A 71 -10.214 1.979 -12.842 1.00 31.57 C ATOM 1070 C ASP A 71 -10.304 1.555 -11.407 1.00 31.76 C ATOM 1071 O ASP A 71 -10.447 0.375 -11.091 1.00 30.68 O ATOM 1072 CB ASP A 71 -11.621 2.077 -13.387 1.00 33.44 C ATOM 1073 CG ASP A 71 -11.679 2.812 -14.708 1.00 35.55 C ATOM 1074 OD1 ASP A 71 -11.283 3.977 -14.797 1.00 39.94 O ATOM 1075 OD2 ASP A 71 -12.120 2.198 -15.686 1.00 44.85 O ATOM 1076 HA ASP A 71 -9.725 2.948 -12.947 1.00 0.00 H ATOM 1077 HB2 ASP A 71 -12.012 1.070 -13.529 1.00 0.00 H ATOM 1078 HB3 ASP A 71 -12.241 2.607 -12.664 1.00 0.00 H ATOM 1079 H ASP A 71 -9.899 0.319 -14.223 1.00 0.00 H ATOM 1080 N GLU A 72 -10.216 2.534 -10.524 1.00 29.95 N ATOM 1081 CA GLU A 72 -10.444 2.297 -9.123 1.00 30.97 C ATOM 1082 C GLU A 72 -11.428 3.345 -8.657 1.00 29.65 C ATOM 1083 O GLU A 72 -11.375 4.497 -9.065 1.00 31.31 O ATOM 1084 CB GLU A 72 -9.177 2.512 -8.346 1.00 31.03 C ATOM 1085 CG GLU A 72 -8.300 1.383 -8.320 1.00 34.25 C ATOM 1086 CD GLU A 72 -7.291 1.541 -7.232 1.00 36.09 C ATOM 1087 OE1 GLU A 72 -6.527 2.523 -7.323 1.00 30.64 O ATOM 1088 OE2 GLU A 72 -7.269 0.684 -6.311 1.00 36.40 O ATOM 1089 HA GLU A 72 -10.801 1.278 -8.973 1.00 0.00 H ATOM 1090 HB2 GLU A 72 -8.641 3.350 -8.792 1.00 0.00 H ATOM 1091 HB3 GLU A 72 -9.445 2.759 -7.319 1.00 0.00 H ATOM 1092 HG2 GLU A 72 -8.882 0.478 -8.144 1.00 0.00 H ATOM 1093 HG3 GLU A 72 -7.787 1.303 -9.278 1.00 0.00 H ATOM 1094 H GLU A 72 -9.978 3.493 -10.847 1.00 0.00 H ATOM 1095 N TYR A 73 -12.330 2.891 -7.828 1.00 30.58 N ATOM 1096 CA TYR A 73 -13.171 3.728 -7.034 1.00 31.05 C ATOM 1097 C TYR A 73 -12.773 3.441 -5.603 1.00 31.17 C ATOM 1098 O TYR A 73 -12.971 2.340 -5.084 1.00 30.69 O ATOM 1099 CB TYR A 73 -14.652 3.386 -7.294 1.00 32.67 C ATOM 1100 CG TYR A 73 -15.546 4.214 -6.409 1.00 35.53 C ATOM 1101 CD1 TYR A 73 -15.628 5.611 -6.554 1.00 35.50 C ATOM 1102 CD2 TYR A 73 -16.281 3.600 -5.395 1.00 38.15 C ATOM 1103 CE1 TYR A 73 -16.484 6.375 -5.706 1.00 37.67 C ATOM 1104 CE2 TYR A 73 -17.115 4.327 -4.532 1.00 40.69 C ATOM 1105 CZ TYR A 73 -17.217 5.714 -4.692 1.00 41.00 C ATOM 1106 OH TYR A 73 -18.073 6.371 -3.819 1.00 43.34 O ATOM 1107 HA TYR A 73 -13.056 4.786 -7.269 1.00 0.00 H ATOM 1108 HB3 TYR A 73 -14.819 2.329 -7.085 1.00 0.00 H ATOM 1109 HB2 TYR A 73 -14.890 3.591 -8.338 1.00 0.00 H ATOM 1110 HD2 TYR A 73 -16.205 2.520 -5.269 1.00 0.00 H ATOM 1111 HE2 TYR A 73 -17.676 3.819 -3.748 1.00 0.00 H ATOM 1112 HE1 TYR A 73 -16.572 7.453 -5.837 1.00 0.00 H ATOM 1113 HD1 TYR A 73 -15.034 6.112 -7.318 1.00 0.00 H ATOM 1114 HH TYR A 73 -17.769 6.225 -2.888 1.00 0.00 H ATOM 1115 H TYR A 73 -12.442 1.861 -7.742 1.00 0.00 H ATOM 1116 N THR A 74 -12.160 4.442 -4.963 1.00 29.94 N ATOM 1117 CA THR A 74 -11.628 4.263 -3.641 1.00 30.15 C ATOM 1118 C THR A 74 -12.686 4.396 -2.512 1.00 30.92 C ATOM 1119 O THR A 74 -12.466 5.111 -1.515 1.00 31.46 O ATOM 1120 CB THR A 74 -10.467 5.270 -3.406 1.00 28.27 C ATOM 1121 OG1 THR A 74 -10.948 6.621 -3.602 1.00 27.46 O ATOM 1122 CG2 THR A 74 -9.355 5.064 -4.392 1.00 27.04 C ATOM 1123 HA THR A 74 -11.263 3.237 -3.590 1.00 0.00 H ATOM 1124 HB THR A 74 -10.104 5.110 -2.391 1.00 0.00 H ATOM 1125 HG1 THR A 74 -10.206 7.259 -3.452 1.00 0.00 H ATOM 1126 HG23 THR A 74 -8.957 4.055 -4.283 1.00 0.00 H ATOM 1127 HG21 THR A 74 -9.739 5.198 -5.403 1.00 0.00 H ATOM 1128 HG22 THR A 74 -8.564 5.790 -4.203 1.00 0.00 H ATOM 1129 H THR A 74 -12.067 5.366 -5.431 1.00 0.00 H ATOM 1130 N LYS A 75 -13.802 3.673 -2.645 1.00 32.70 N ATOM 1131 CA LYS A 75 -14.824 3.562 -1.573 1.00 36.25 C ATOM 1132 C LYS A 75 -14.286 3.245 -0.142 1.00 36.89 C ATOM 1133 O LYS A 75 -13.310 2.539 0.017 1.00 39.60 O ATOM 1134 CB LYS A 75 -15.907 2.526 -1.980 1.00 36.40 C ATOM 1135 CG LYS A 75 -15.498 1.516 -3.099 1.00 39.80 C ATOM 1136 CD LYS A 75 -14.671 0.281 -2.702 1.00 42.29 C ATOM 1137 CE LYS A 75 -14.571 -0.653 -3.922 1.00 44.76 C ATOM 1138 NZ LYS A 75 -14.294 -2.103 -3.626 1.00 46.06 N ATOM 1139 HA LYS A 75 -15.246 4.563 -1.488 1.00 0.00 H ATOM 1140 HB2 LYS A 75 -16.171 1.952 -1.092 1.00 0.00 H ATOM 1141 HB3 LYS A 75 -16.781 3.076 -2.329 1.00 0.00 H ATOM 1142 HG2 LYS A 75 -16.418 1.154 -3.559 1.00 0.00 H ATOM 1143 HG3 LYS A 75 -14.917 2.070 -3.837 1.00 0.00 H ATOM 1144 HD2 LYS A 75 -13.673 0.591 -2.393 1.00 0.00 H ATOM 1145 HD3 LYS A 75 -15.160 -0.240 -1.879 1.00 0.00 H ATOM 1146 HE2 LYS A 75 -13.768 -0.284 -4.559 1.00 0.00 H ATOM 1147 HE3 LYS A 75 -15.516 -0.598 -4.462 1.00 0.00 H ATOM 1148 HZ1 LYS A 75 -13.387 -2.186 -3.124 1.00 0.00 H ATOM 1149 HZ2 LYS A 75 -15.057 -2.486 -3.032 1.00 0.00 H ATOM 1150 HZ3 LYS A 75 -14.248 -2.635 -4.518 1.00 0.00 H ATOM 1151 H LYS A 75 -13.962 3.166 -3.539 1.00 0.00 H ATOM 1152 N SER A 76 -14.938 3.788 0.878 1.00 39.46 N ATOM 1153 CA SER A 76 -14.376 3.847 2.272 1.00 39.71 C ATOM 1154 C SER A 76 -12.829 3.983 2.402 1.00 38.55 C ATOM 1155 O SER A 76 -12.211 3.457 3.343 1.00 39.24 O ATOM 1156 CB SER A 76 -14.971 2.774 3.241 1.00 41.07 C ATOM 1157 OG SER A 76 -14.857 1.420 2.789 1.00 43.40 O ATOM 1158 HA SER A 76 -14.739 4.817 2.612 1.00 0.00 H ATOM 1159 HB2 SER A 76 -16.029 2.995 3.383 1.00 0.00 H ATOM 1160 HB3 SER A 76 -14.453 2.857 4.196 1.00 0.00 H ATOM 1161 HG SER A 76 -15.258 0.814 3.462 1.00 0.00 H ATOM 1162 H SER A 76 -15.881 4.191 0.706 1.00 0.00 H ATOM 1163 N LEU A 77 -12.224 4.681 1.450 1.00 36.14 N ATOM 1164 CA LEU A 77 -11.056 5.509 1.713 1.00 33.23 C ATOM 1165 C LEU A 77 -11.508 6.960 1.485 1.00 31.92 C ATOM 1166 O LEU A 77 -12.205 7.508 2.309 1.00 32.08 O ATOM 1167 CB LEU A 77 -9.861 5.092 0.848 1.00 34.48 C ATOM 1168 CG LEU A 77 -8.402 5.365 1.251 1.00 36.12 C ATOM 1169 CD1 LEU A 77 -8.022 4.594 2.514 1.00 40.36 C ATOM 1170 CD2 LEU A 77 -7.494 4.953 0.131 1.00 40.00 C ATOM 1171 HA LEU A 77 -10.694 5.391 2.734 1.00 0.00 H ATOM 1172 HB2 LEU A 77 -9.942 4.012 0.723 1.00 0.00 H ATOM 1173 HB3 LEU A 77 -10.003 5.579 -0.117 1.00 0.00 H ATOM 1174 HG LEU A 77 -8.297 6.431 1.454 1.00 0.00 H ATOM 1175 HD21 LEU A 77 -7.625 3.890 -0.069 1.00 0.00 H ATOM 1176 HD22 LEU A 77 -7.740 5.525 -0.763 1.00 0.00 H ATOM 1177 HD23 LEU A 77 -6.459 5.146 0.414 1.00 0.00 H ATOM 1178 HD11 LEU A 77 -8.672 4.899 3.334 1.00 0.00 H ATOM 1179 HD12 LEU A 77 -8.139 3.525 2.335 1.00 0.00 H ATOM 1180 HD13 LEU A 77 -6.985 4.809 2.771 1.00 0.00 H ATOM 1181 H LEU A 77 -12.598 4.635 0.481 1.00 0.00 H ATOM 1182 N ASP A 78 -11.162 7.574 0.361 1.00 29.55 N ATOM 1183 CA ASP A 78 -11.546 8.955 0.105 1.00 27.50 C ATOM 1184 C ASP A 78 -12.602 9.056 -0.976 1.00 28.17 C ATOM 1185 O ASP A 78 -12.921 10.193 -1.407 1.00 29.50 O ATOM 1186 CB ASP A 78 -10.346 9.788 -0.346 1.00 27.70 C ATOM 1187 CG ASP A 78 -9.746 9.267 -1.608 1.00 23.31 C ATOM 1188 OD1 ASP A 78 -9.563 8.004 -1.729 1.00 24.91 O ATOM 1189 OD2 ASP A 78 -9.400 10.089 -2.470 1.00 24.95 O ATOM 1190 HA ASP A 78 -11.943 9.336 1.046 1.00 0.00 H ATOM 1191 HB2 ASP A 78 -10.672 10.815 -0.509 1.00 0.00 H ATOM 1192 HB3 ASP A 78 -9.589 9.768 0.438 1.00 0.00 H ATOM 1193 H ASP A 78 -10.606 7.059 -0.351 1.00 0.00 H ATOM 1194 N ASN A 79 -13.132 7.919 -1.422 1.00 28.17 N ATOM 1195 CA ASN A 79 -14.282 7.915 -2.335 1.00 28.93 C ATOM 1196 C ASN A 79 -14.044 8.811 -3.551 1.00 28.81 C ATOM 1197 O ASN A 79 -14.766 9.799 -3.787 1.00 28.82 O ATOM 1198 CB ASN A 79 -15.544 8.317 -1.557 1.00 29.99 C ATOM 1199 CG ASN A 79 -15.947 7.275 -0.542 1.00 29.84 C ATOM 1200 OD1 ASN A 79 -16.291 6.152 -0.920 1.00 31.48 O ATOM 1201 ND2 ASN A 79 -15.911 7.630 0.750 1.00 29.13 N ATOM 1202 HA ASN A 79 -14.421 6.908 -2.729 1.00 0.00 H ATOM 1203 HB2 ASN A 79 -15.352 9.256 -1.038 1.00 0.00 H ATOM 1204 HB3 ASN A 79 -16.363 8.454 -2.263 1.00 0.00 H ATOM 1205 HD22 ASN A 79 -15.613 8.590 1.017 1.00 0.00 H ATOM 1206 HD21 ASN A 79 -16.181 6.945 1.485 1.00 0.00 H ATOM 1207 H ASN A 79 -12.722 7.013 -1.117 1.00 0.00 H ATOM 1208 N ARG A 80 -13.014 8.457 -4.311 1.00 28.53 N ATOM 1209 CA ARG A 80 -12.725 9.103 -5.597 1.00 27.02 C ATOM 1210 C ARG A 80 -12.496 8.110 -6.721 1.00 27.14 C ATOM 1211 O ARG A 80 -12.199 6.921 -6.456 1.00 25.48 O ATOM 1212 CB ARG A 80 -11.492 9.989 -5.493 1.00 28.21 C ATOM 1213 CG ARG A 80 -11.700 11.223 -4.616 1.00 29.21 C ATOM 1214 CD ARG A 80 -10.647 12.199 -4.887 1.00 31.77 C ATOM 1215 NE ARG A 80 -10.833 13.443 -4.141 1.00 31.00 N ATOM 1216 CZ ARG A 80 -10.400 13.668 -2.892 1.00 36.07 C ATOM 1217 NH1 ARG A 80 -9.794 12.716 -2.166 1.00 29.25 N ATOM 1218 NH2 ARG A 80 -10.601 14.854 -2.334 1.00 34.21 N ATOM 1219 HA ARG A 80 -13.609 9.696 -5.832 1.00 0.00 H ATOM 1220 HB2 ARG A 80 -10.678 9.399 -5.072 1.00 0.00 H ATOM 1221 HB3 ARG A 80 -11.219 10.320 -6.495 1.00 0.00 H ATOM 1222 HG2 ARG A 80 -12.671 11.666 -4.837 1.00 0.00 H ATOM 1223 HG3 ARG A 80 -11.665 10.933 -3.566 1.00 0.00 H ATOM 1224 HD2 ARG A 80 -10.647 12.427 -5.953 1.00 0.00 H ATOM 1225 HD3 ARG A 80 -9.687 11.764 -4.609 1.00 0.00 H ATOM 1226 HE ARG A 80 -11.342 14.215 -4.617 1.00 0.00 H ATOM 1227 HH12 ARG A 80 -9.471 12.926 -1.200 1.00 0.00 H ATOM 1228 HH11 ARG A 80 -9.648 11.769 -2.569 1.00 0.00 H ATOM 1229 HH22 ARG A 80 -10.268 15.036 -1.366 1.00 0.00 H ATOM 1230 HH21 ARG A 80 -11.091 15.602 -2.865 1.00 0.00 H ATOM 1231 H ARG A 80 -12.389 7.694 -3.983 1.00 0.00 H ATOM 1232 N HIS A 81 -12.647 8.569 -7.961 1.00 25.98 N ATOM 1233 CA HIS A 81 -12.218 7.726 -9.099 1.00 27.40 C ATOM 1234 C HIS A 81 -10.805 8.026 -9.543 1.00 25.25 C ATOM 1235 O HIS A 81 -10.473 9.183 -9.822 1.00 26.16 O ATOM 1236 CB HIS A 81 -13.159 7.861 -10.288 1.00 27.96 C ATOM 1237 CG HIS A 81 -14.538 7.343 -10.019 1.00 33.07 C ATOM 1238 ND1 HIS A 81 -14.976 6.123 -10.481 1.00 38.15 N ATOM 1239 CD2 HIS A 81 -15.570 7.871 -9.318 1.00 37.76 C ATOM 1240 CE1 HIS A 81 -16.222 5.922 -10.088 1.00 37.37 C ATOM 1241 NE2 HIS A 81 -16.607 6.971 -9.387 1.00 41.01 N ATOM 1242 HA HIS A 81 -12.250 6.700 -8.733 1.00 0.00 H ATOM 1243 HB2 HIS A 81 -13.232 8.916 -10.553 1.00 0.00 H ATOM 1244 HB3 HIS A 81 -12.739 7.305 -11.126 1.00 0.00 H ATOM 1245 HD2 HIS A 81 -15.577 8.829 -8.797 1.00 0.00 H ATOM 1246 HE1 HIS A 81 -16.827 5.042 -10.306 1.00 0.00 H ATOM 1247 H HIS A 81 -13.061 9.508 -8.128 1.00 0.00 H ATOM 1248 N VAL A 82 -9.994 6.970 -9.664 1.00 24.65 N ATOM 1249 CA VAL A 82 -8.687 7.125 -10.213 1.00 24.67 C ATOM 1250 C VAL A 82 -8.382 6.079 -11.293 1.00 23.64 C ATOM 1251 O VAL A 82 -9.017 5.012 -11.346 1.00 26.73 O ATOM 1252 CB VAL A 82 -7.572 7.041 -9.132 1.00 25.44 C ATOM 1253 CG1 VAL A 82 -7.707 8.172 -8.126 1.00 27.33 C ATOM 1254 CG2 VAL A 82 -7.597 5.684 -8.437 1.00 25.31 C ATOM 1255 HA VAL A 82 -8.686 8.121 -10.656 1.00 0.00 H ATOM 1256 HB VAL A 82 -6.607 7.149 -9.628 1.00 0.00 H ATOM 1257 HG11 VAL A 82 -7.624 9.128 -8.643 1.00 0.00 H ATOM 1258 HG12 VAL A 82 -8.678 8.106 -7.635 1.00 0.00 H ATOM 1259 HG13 VAL A 82 -6.916 8.090 -7.381 1.00 0.00 H ATOM 1260 HG21 VAL A 82 -8.565 5.541 -7.957 1.00 0.00 H ATOM 1261 HG22 VAL A 82 -7.435 4.897 -9.173 1.00 0.00 H ATOM 1262 HG23 VAL A 82 -6.809 5.648 -7.685 1.00 0.00 H ATOM 1263 H VAL A 82 -10.318 6.031 -9.356 1.00 0.00 H ATOM 1264 N LYS A 83 -7.413 6.384 -12.139 1.00 23.84 N ATOM 1265 CA LYS A 83 -6.937 5.438 -13.165 1.00 24.83 C ATOM 1266 C LYS A 83 -5.660 4.840 -12.621 1.00 23.69 C ATOM 1267 O LYS A 83 -4.648 5.587 -12.535 1.00 24.53 O ATOM 1268 CB LYS A 83 -6.597 6.222 -14.475 1.00 24.62 C ATOM 1269 HA LYS A 83 -7.688 4.679 -13.387 1.00 0.00 H ATOM 1270 HB2 LYS A 83 -7.491 6.731 -14.835 1.00 0.00 H ATOM 1271 HB3 LYS A 83 -5.819 6.956 -14.266 1.00 0.00 H ATOM 1272 H LYS A 83 -6.971 7.324 -12.079 1.00 0.00 H ATOM 1273 N ALA A 84 -5.647 3.566 -12.198 1.00 23.67 N ATOM 1274 CA ALA A 84 -4.456 3.021 -11.524 1.00 22.74 C ATOM 1275 C ALA A 84 -3.571 2.187 -12.443 1.00 21.82 C ATOM 1276 O ALA A 84 -4.052 1.511 -13.323 1.00 21.54 O ATOM 1277 CB ALA A 84 -4.827 2.168 -10.298 1.00 23.75 C ATOM 1278 HA ALA A 84 -3.893 3.899 -11.207 1.00 0.00 H ATOM 1279 HB1 ALA A 84 -5.373 2.782 -9.582 1.00 0.00 H ATOM 1280 HB2 ALA A 84 -5.452 1.333 -10.614 1.00 0.00 H ATOM 1281 HB3 ALA A 84 -3.918 1.787 -9.833 1.00 0.00 H ATOM 1282 H ALA A 84 -6.480 2.962 -12.347 1.00 0.00 H ATOM 1283 N LEU A 85 -2.250 2.256 -12.253 1.00 20.26 N ATOM 1284 CA LEU A 85 -1.347 1.368 -13.000 1.00 20.23 C ATOM 1285 C LEU A 85 -0.200 0.969 -12.147 1.00 19.94 C ATOM 1286 O LEU A 85 0.405 1.845 -11.539 1.00 20.94 O ATOM 1287 CB LEU A 85 -0.818 2.144 -14.181 1.00 21.37 C ATOM 1288 CG LEU A 85 0.178 1.404 -15.046 1.00 18.26 C ATOM 1289 CD1 LEU A 85 -0.458 0.114 -15.660 1.00 18.98 C ATOM 1290 CD2 LEU A 85 0.766 2.333 -16.141 1.00 23.26 C ATOM 1291 HA LEU A 85 -1.883 0.473 -13.316 1.00 0.00 H ATOM 1292 HB2 LEU A 85 -1.665 2.425 -14.807 1.00 0.00 H ATOM 1293 HB3 LEU A 85 -0.333 3.044 -13.803 1.00 0.00 H ATOM 1294 HG LEU A 85 1.005 1.087 -14.411 1.00 0.00 H ATOM 1295 HD21 LEU A 85 -0.041 2.702 -16.775 1.00 0.00 H ATOM 1296 HD22 LEU A 85 1.272 3.175 -15.668 1.00 0.00 H ATOM 1297 HD23 LEU A 85 1.478 1.773 -16.747 1.00 0.00 H ATOM 1298 HD11 LEU A 85 -0.782 -0.548 -14.857 1.00 0.00 H ATOM 1299 HD12 LEU A 85 -1.316 0.390 -16.273 1.00 0.00 H ATOM 1300 HD13 LEU A 85 0.282 -0.396 -16.277 1.00 0.00 H ATOM 1301 H LEU A 85 -1.859 2.940 -11.574 1.00 0.00 H ATOM 1302 N VAL A 86 0.054 -0.329 -12.058 1.00 19.12 N ATOM 1303 CA VAL A 86 1.135 -0.901 -11.253 1.00 18.78 C ATOM 1304 C VAL A 86 2.191 -1.507 -12.167 1.00 18.43 C ATOM 1305 O VAL A 86 1.893 -2.401 -12.994 1.00 19.49 O ATOM 1306 CB VAL A 86 0.597 -1.955 -10.208 1.00 18.55 C ATOM 1307 CG1 VAL A 86 1.756 -2.404 -9.368 1.00 20.05 C ATOM 1308 CG2 VAL A 86 -0.492 -1.378 -9.323 1.00 18.15 C ATOM 1309 HA VAL A 86 1.593 -0.099 -10.673 1.00 0.00 H ATOM 1310 HB VAL A 86 0.154 -2.793 -10.747 1.00 0.00 H ATOM 1311 HG11 VAL A 86 2.512 -2.858 -10.008 1.00 0.00 H ATOM 1312 HG12 VAL A 86 2.184 -1.544 -8.852 1.00 0.00 H ATOM 1313 HG13 VAL A 86 1.411 -3.134 -8.636 1.00 0.00 H ATOM 1314 HG21 VAL A 86 -0.097 -0.525 -8.772 1.00 0.00 H ATOM 1315 HG22 VAL A 86 -1.329 -1.056 -9.942 1.00 0.00 H ATOM 1316 HG23 VAL A 86 -0.830 -2.140 -8.621 1.00 0.00 H ATOM 1317 H VAL A 86 -0.553 -0.982 -12.594 1.00 0.00 H ATOM 1318 N THR A 87 3.462 -1.109 -12.015 1.00 17.45 N ATOM 1319 CA THR A 87 4.520 -1.646 -12.869 1.00 20.17 C ATOM 1320 C THR A 87 5.769 -1.856 -12.043 1.00 19.62 C ATOM 1321 O THR A 87 5.791 -1.401 -10.898 1.00 23.34 O ATOM 1322 CB THR A 87 4.861 -0.641 -14.028 1.00 22.83 C ATOM 1323 OG1 THR A 87 5.092 0.652 -13.481 1.00 22.71 O ATOM 1324 CG2 THR A 87 3.648 -0.528 -14.996 1.00 23.68 C ATOM 1325 HA THR A 87 4.174 -2.588 -13.295 1.00 0.00 H ATOM 1326 HB THR A 87 5.743 -1.002 -14.557 1.00 0.00 H ATOM 1327 HG1 THR A 87 4.279 0.958 -13.006 1.00 0.00 H ATOM 1328 HG23 THR A 87 3.443 -1.504 -15.435 1.00 0.00 H ATOM 1329 HG21 THR A 87 2.774 -0.186 -14.442 1.00 0.00 H ATOM 1330 HG22 THR A 87 3.881 0.185 -15.787 1.00 0.00 H ATOM 1331 H THR A 87 3.698 -0.411 -11.281 1.00 0.00 H ATOM 1332 N TRP A 88 6.735 -2.562 -12.607 1.00 21.39 N ATOM 1333 CA TRP A 88 8.037 -2.680 -11.955 1.00 20.68 C ATOM 1334 C TRP A 88 9.018 -1.680 -12.434 1.00 20.87 C ATOM 1335 O TRP A 88 9.259 -1.566 -13.656 1.00 19.82 O ATOM 1336 CB TRP A 88 8.645 -4.048 -12.251 1.00 20.09 C ATOM 1337 CG TRP A 88 7.945 -5.172 -11.645 1.00 22.73 C ATOM 1338 CD1 TRP A 88 7.098 -6.023 -12.274 1.00 23.55 C ATOM 1339 CD2 TRP A 88 7.927 -5.515 -10.266 1.00 21.67 C ATOM 1340 NE1 TRP A 88 6.604 -6.945 -11.369 1.00 25.51 N ATOM 1341 CE2 TRP A 88 7.101 -6.647 -10.127 1.00 23.36 C ATOM 1342 CE3 TRP A 88 8.589 -4.995 -9.120 1.00 24.13 C ATOM 1343 CZ2 TRP A 88 6.875 -7.257 -8.909 1.00 22.60 C ATOM 1344 CZ3 TRP A 88 8.364 -5.609 -7.895 1.00 24.90 C ATOM 1345 CH2 TRP A 88 7.526 -6.755 -7.806 1.00 21.43 C ATOM 1346 HA TRP A 88 7.850 -2.525 -10.892 1.00 0.00 H ATOM 1347 HB2 TRP A 88 8.647 -4.192 -13.331 1.00 0.00 H ATOM 1348 HB3 TRP A 88 9.671 -4.050 -11.884 1.00 0.00 H ATOM 1349 HE1 TRP A 88 5.963 -7.732 -11.593 1.00 0.00 H ATOM 1350 HD1 TRP A 88 6.844 -5.986 -13.333 1.00 0.00 H ATOM 1351 HZ2 TRP A 88 6.202 -8.110 -8.824 1.00 0.00 H ATOM 1352 HH2 TRP A 88 7.397 -7.247 -6.842 1.00 0.00 H ATOM 1353 HZ3 TRP A 88 8.833 -5.210 -6.995 1.00 0.00 H ATOM 1354 HE3 TRP A 88 9.256 -4.137 -9.201 1.00 0.00 H ATOM 1355 H TRP A 88 6.567 -3.035 -13.518 1.00 0.00 H ATOM 1356 N GLU A 89 9.705 -1.042 -11.475 1.00 22.99 N ATOM 1357 CA GLU A 89 10.966 -0.322 -11.757 1.00 24.81 C ATOM 1358 C GLU A 89 12.099 -1.085 -11.042 1.00 23.31 C ATOM 1359 O GLU A 89 12.267 -0.922 -9.783 1.00 23.65 O ATOM 1360 CB GLU A 89 10.911 1.121 -11.311 1.00 26.09 C ATOM 1361 CG GLU A 89 9.785 1.911 -12.041 1.00 32.96 C ATOM 1362 CD GLU A 89 9.631 3.407 -11.698 1.00 41.17 C ATOM 1363 OE1 GLU A 89 8.779 4.034 -12.375 1.00 43.12 O ATOM 1364 OE2 GLU A 89 10.304 3.966 -10.786 1.00 40.87 O ATOM 1365 HA GLU A 89 11.140 -0.292 -12.833 1.00 0.00 H ATOM 1366 HB2 GLU A 89 10.725 1.152 -10.238 1.00 0.00 H ATOM 1367 HB3 GLU A 89 11.870 1.593 -11.526 1.00 0.00 H ATOM 1368 HG2 GLU A 89 9.976 1.839 -13.112 1.00 0.00 H ATOM 1369 HG3 GLU A 89 8.839 1.423 -11.808 1.00 0.00 H ATOM 1370 H GLU A 89 9.339 -1.054 -10.501 1.00 0.00 H ATOM 1371 N GLY A 90 12.841 -1.921 -11.797 1.00 25.15 N ATOM 1372 CA GLY A 90 13.722 -2.896 -11.147 1.00 24.85 C ATOM 1373 C GLY A 90 12.936 -3.764 -10.161 1.00 24.66 C ATOM 1374 O GLY A 90 11.959 -4.476 -10.567 1.00 25.04 O ATOM 1375 HA3 GLY A 90 14.508 -2.366 -10.609 1.00 0.00 H ATOM 1376 HA2 GLY A 90 14.171 -3.535 -11.907 1.00 0.00 H ATOM 1377 H GLY A 90 12.788 -1.874 -12.835 1.00 0.00 H ATOM 1378 N ASP A 91 13.310 -3.735 -8.868 1.00 23.78 N ATOM 1379 CA ASP A 91 12.560 -4.608 -7.931 1.00 25.96 C ATOM 1380 C ASP A 91 11.622 -3.814 -7.040 1.00 24.80 C ATOM 1381 O ASP A 91 11.190 -4.309 -6.006 1.00 27.11 O ATOM 1382 CB ASP A 91 13.441 -5.560 -7.099 1.00 25.85 C ATOM 1383 HA ASP A 91 11.962 -5.251 -8.577 1.00 0.00 H ATOM 1384 HB2 ASP A 91 13.997 -6.217 -7.768 1.00 0.00 H ATOM 1385 HB3 ASP A 91 14.139 -4.976 -6.499 1.00 0.00 H ATOM 1386 H ASP A 91 14.089 -3.129 -8.541 1.00 0.00 H ATOM 1387 N VAL A 92 11.337 -2.572 -7.445 1.00 23.45 N ATOM 1388 CA VAL A 92 10.358 -1.718 -6.794 1.00 22.77 C ATOM 1389 C VAL A 92 9.050 -1.863 -7.593 1.00 20.78 C ATOM 1390 O VAL A 92 9.021 -1.685 -8.827 1.00 22.21 O ATOM 1391 CB VAL A 92 10.737 -0.238 -6.763 1.00 23.11 C ATOM 1392 CG1 VAL A 92 9.701 0.548 -5.958 1.00 24.24 C ATOM 1393 CG2 VAL A 92 12.132 -0.005 -6.075 1.00 25.44 C ATOM 1394 HA VAL A 92 10.279 -2.033 -5.754 1.00 0.00 H ATOM 1395 HB VAL A 92 10.779 0.098 -7.799 1.00 0.00 H ATOM 1396 HG11 VAL A 92 8.721 0.437 -6.423 1.00 0.00 H ATOM 1397 HG12 VAL A 92 9.667 0.164 -4.939 1.00 0.00 H ATOM 1398 HG13 VAL A 92 9.979 1.602 -5.941 1.00 0.00 H ATOM 1399 HG21 VAL A 92 12.095 -0.370 -5.049 1.00 0.00 H ATOM 1400 HG22 VAL A 92 12.902 -0.544 -6.627 1.00 0.00 H ATOM 1401 HG23 VAL A 92 12.362 1.060 -6.075 1.00 0.00 H ATOM 1402 H VAL A 92 11.844 -2.196 -8.272 1.00 0.00 H ATOM 1403 N LEU A 93 8.001 -2.119 -6.867 1.00 19.95 N ATOM 1404 CA LEU A 93 6.665 -2.220 -7.466 1.00 20.93 C ATOM 1405 C LEU A 93 6.045 -0.817 -7.286 1.00 21.07 C ATOM 1406 O LEU A 93 5.957 -0.322 -6.152 1.00 21.31 O ATOM 1407 CB LEU A 93 5.860 -3.274 -6.770 1.00 21.09 C ATOM 1408 CG LEU A 93 4.485 -3.562 -7.404 1.00 21.56 C ATOM 1409 CD1 LEU A 93 4.689 -4.057 -8.815 1.00 20.56 C ATOM 1410 CD2 LEU A 93 3.652 -4.649 -6.598 1.00 22.78 C ATOM 1411 HA LEU A 93 6.695 -2.510 -8.516 1.00 0.00 H ATOM 1412 HB2 LEU A 93 6.436 -4.199 -6.775 1.00 0.00 H ATOM 1413 HB3 LEU A 93 5.699 -2.953 -5.741 1.00 0.00 H ATOM 1414 HG LEU A 93 3.918 -2.631 -7.386 1.00 0.00 H ATOM 1415 HD21 LEU A 93 4.210 -5.585 -6.570 1.00 0.00 H ATOM 1416 HD22 LEU A 93 3.483 -4.295 -5.581 1.00 0.00 H ATOM 1417 HD23 LEU A 93 2.694 -4.810 -7.092 1.00 0.00 H ATOM 1418 HD11 LEU A 93 5.209 -3.294 -9.395 1.00 0.00 H ATOM 1419 HD12 LEU A 93 5.284 -4.970 -8.796 1.00 0.00 H ATOM 1420 HD13 LEU A 93 3.720 -4.263 -9.270 1.00 0.00 H ATOM 1421 H LEU A 93 8.111 -2.255 -5.842 1.00 0.00 H ATOM 1422 N VAL A 94 5.597 -0.188 -8.364 1.00 19.63 N ATOM 1423 CA VAL A 94 5.247 1.269 -8.377 1.00 18.39 C ATOM 1424 C VAL A 94 3.811 1.414 -8.839 1.00 16.81 C ATOM 1425 O VAL A 94 3.467 0.865 -9.907 1.00 20.31 O ATOM 1426 CB VAL A 94 6.138 2.055 -9.338 1.00 21.66 C ATOM 1427 CG1 VAL A 94 5.706 3.529 -9.339 1.00 20.80 C ATOM 1428 CG2 VAL A 94 7.619 1.928 -8.924 1.00 20.99 C ATOM 1429 HA VAL A 94 5.389 1.663 -7.371 1.00 0.00 H ATOM 1430 HB VAL A 94 6.031 1.648 -10.343 1.00 0.00 H ATOM 1431 HG11 VAL A 94 4.667 3.602 -9.661 1.00 0.00 H ATOM 1432 HG12 VAL A 94 5.805 3.936 -8.333 1.00 0.00 H ATOM 1433 HG13 VAL A 94 6.340 4.092 -10.024 1.00 0.00 H ATOM 1434 HG21 VAL A 94 7.748 2.322 -7.916 1.00 0.00 H ATOM 1435 HG22 VAL A 94 7.912 0.878 -8.945 1.00 0.00 H ATOM 1436 HG23 VAL A 94 8.239 2.494 -9.619 1.00 0.00 H ATOM 1437 H VAL A 94 5.483 -0.732 -9.243 1.00 0.00 H ATOM 1438 N CYS A 95 2.983 1.993 -7.983 1.00 17.33 N ATOM 1439 CA CYS A 95 1.596 2.231 -8.353 1.00 17.60 C ATOM 1440 C CYS A 95 1.406 3.727 -8.582 1.00 19.21 C ATOM 1441 O CYS A 95 1.853 4.561 -7.706 1.00 21.14 O ATOM 1442 CB CYS A 95 0.739 1.794 -7.221 1.00 15.94 C ATOM 1443 SG CYS A 95 -1.022 2.067 -7.537 1.00 23.41 S ATOM 1444 HA CYS A 95 1.333 1.684 -9.258 1.00 0.00 H ATOM 1445 HB2 CYS A 95 1.025 2.353 -6.330 1.00 0.00 H ATOM 1446 HB3 CYS A 95 0.903 0.730 -7.049 1.00 0.00 H ATOM 1447 HG CYS A 95 -1.755 1.640 -6.448 1.00 0.00 H ATOM 1448 H CYS A 95 3.325 2.279 -7.043 1.00 0.00 H ATOM 1449 N VAL A 96 0.792 4.110 -9.683 1.00 19.96 N ATOM 1450 CA VAL A 96 0.424 5.541 -9.859 1.00 19.70 C ATOM 1451 C VAL A 96 -1.062 5.616 -10.093 1.00 21.09 C ATOM 1452 O VAL A 96 -1.556 4.905 -10.989 1.00 22.60 O ATOM 1453 CB VAL A 96 1.222 6.258 -10.966 1.00 20.08 C ATOM 1454 CG1 VAL A 96 2.702 6.272 -10.639 1.00 20.00 C ATOM 1455 CG2 VAL A 96 1.034 5.623 -12.308 1.00 20.81 C ATOM 1456 HA VAL A 96 0.691 6.079 -8.949 1.00 0.00 H ATOM 1457 HB VAL A 96 0.836 7.277 -11.009 1.00 0.00 H ATOM 1458 HG11 VAL A 96 2.860 6.796 -9.696 1.00 0.00 H ATOM 1459 HG12 VAL A 96 3.063 5.247 -10.552 1.00 0.00 H ATOM 1460 HG13 VAL A 96 3.244 6.783 -11.435 1.00 0.00 H ATOM 1461 HG21 VAL A 96 1.369 4.587 -12.268 1.00 0.00 H ATOM 1462 HG22 VAL A 96 -0.021 5.655 -12.579 1.00 0.00 H ATOM 1463 HG23 VAL A 96 1.618 6.167 -13.051 1.00 0.00 H ATOM 1464 H VAL A 96 0.566 3.417 -10.424 1.00 0.00 H ATOM 1465 N GLN A 97 -1.747 6.409 -9.271 1.00 20.70 N ATOM 1466 CA GLN A 97 -3.199 6.557 -9.310 1.00 21.97 C ATOM 1467 C GLN A 97 -3.436 7.954 -9.891 1.00 25.01 C ATOM 1468 O GLN A 97 -3.270 8.918 -9.189 1.00 24.60 O ATOM 1469 CB GLN A 97 -3.839 6.397 -7.944 1.00 23.78 C ATOM 1470 CG GLN A 97 -3.641 4.928 -7.376 1.00 22.11 C ATOM 1471 CD GLN A 97 -3.905 4.834 -5.878 1.00 24.72 C ATOM 1472 OE1 GLN A 97 -4.695 3.963 -5.408 1.00 34.28 O ATOM 1473 NE2 GLN A 97 -3.206 5.662 -5.091 1.00 24.20 N ATOM 1474 HA GLN A 97 -3.661 5.777 -9.916 1.00 0.00 H ATOM 1475 HB2 GLN A 97 -3.384 7.108 -7.254 1.00 0.00 H ATOM 1476 HB3 GLN A 97 -4.906 6.604 -8.026 1.00 0.00 H ATOM 1477 HG2 GLN A 97 -4.328 4.258 -7.894 1.00 0.00 H ATOM 1478 HG3 GLN A 97 -2.615 4.615 -7.570 1.00 0.00 H ATOM 1479 HE22 GLN A 97 -2.567 6.365 -5.514 1.00 0.00 H ATOM 1480 HE21 GLN A 97 -3.303 5.602 -4.057 1.00 0.00 H ATOM 1481 H GLN A 97 -1.217 6.954 -8.561 1.00 0.00 H ATOM 1482 N LYS A 98 -3.753 8.027 -11.186 1.00 26.41 N ATOM 1483 CA LYS A 98 -3.981 9.326 -11.876 1.00 26.35 C ATOM 1484 C LYS A 98 -5.396 9.760 -11.589 1.00 26.43 C ATOM 1485 O LYS A 98 -6.349 8.964 -11.709 1.00 28.33 O ATOM 1486 CB LYS A 98 -3.698 9.200 -13.395 1.00 28.02 C ATOM 1487 HA LYS A 98 -3.293 10.086 -11.504 1.00 0.00 H ATOM 1488 HB2 LYS A 98 -2.662 8.898 -13.546 1.00 0.00 H ATOM 1489 HB3 LYS A 98 -4.362 8.451 -13.826 1.00 0.00 H ATOM 1490 H LYS A 98 -3.844 7.146 -11.731 1.00 0.00 H ATOM 1491 N GLY A 99 -5.549 11.041 -11.224 1.00 28.41 N ATOM 1492 CA GLY A 99 -6.814 11.621 -10.838 1.00 29.06 C ATOM 1493 C GLY A 99 -6.659 13.011 -10.257 1.00 29.99 C ATOM 1494 O GLY A 99 -5.718 13.756 -10.611 1.00 30.53 O ATOM 1495 HA3 GLY A 99 -7.280 10.979 -10.091 1.00 0.00 H ATOM 1496 HA2 GLY A 99 -7.456 11.678 -11.717 1.00 0.00 H ATOM 1497 H GLY A 99 -4.708 11.653 -11.219 1.00 0.00 H ATOM 1498 N GLU A 100 -7.553 13.332 -9.332 1.00 30.14 N ATOM 1499 CA GLU A 100 -7.599 14.667 -8.742 1.00 31.29 C ATOM 1500 C GLU A 100 -6.405 15.006 -7.881 1.00 32.10 C ATOM 1501 O GLU A 100 -5.887 16.134 -7.961 1.00 32.03 O ATOM 1502 CB GLU A 100 -8.902 14.889 -7.977 1.00 31.86 C ATOM 1503 CG GLU A 100 -8.943 16.218 -7.224 1.00 36.25 C ATOM 1504 CD GLU A 100 -8.964 17.388 -8.197 1.00 40.36 C ATOM 1505 OE1 GLU A 100 -9.399 17.154 -9.334 1.00 41.69 O ATOM 1506 OE2 GLU A 100 -8.545 18.507 -7.835 1.00 43.49 O ATOM 1507 HA GLU A 100 -7.559 15.356 -9.586 1.00 0.00 H ATOM 1508 HB2 GLU A 100 -9.728 14.868 -8.688 1.00 0.00 H ATOM 1509 HB3 GLU A 100 -9.023 14.079 -7.257 1.00 0.00 H ATOM 1510 HG2 GLU A 100 -9.839 16.251 -6.605 1.00 0.00 H ATOM 1511 HG3 GLU A 100 -8.061 16.297 -6.588 1.00 0.00 H ATOM 1512 H GLU A 100 -8.238 12.615 -9.019 1.00 0.00 H ATOM 1513 N LYS A 101 -5.965 14.068 -7.036 1.00 29.70 N ATOM 1514 CA LYS A 101 -4.750 14.279 -6.268 1.00 29.49 C ATOM 1515 C LYS A 101 -3.458 14.141 -7.071 1.00 29.72 C ATOM 1516 O LYS A 101 -3.319 13.276 -7.913 1.00 30.60 O ATOM 1517 CB LYS A 101 -4.714 13.367 -5.032 1.00 28.88 C ATOM 1518 CG LYS A 101 -5.899 13.520 -4.121 1.00 27.95 C ATOM 1519 CD LYS A 101 -5.775 14.829 -3.302 1.00 27.47 C ATOM 1520 CE LYS A 101 -7.027 14.948 -2.435 1.00 31.69 C ATOM 1521 NZ LYS A 101 -6.969 16.156 -1.538 1.00 32.99 N ATOM 1522 HA LYS A 101 -4.791 15.322 -5.954 1.00 0.00 H ATOM 1523 HB2 LYS A 101 -4.674 12.332 -5.371 1.00 0.00 H ATOM 1524 HB3 LYS A 101 -3.813 13.596 -4.463 1.00 0.00 H ATOM 1525 HG2 LYS A 101 -6.811 13.552 -4.717 1.00 0.00 H ATOM 1526 HG3 LYS A 101 -5.942 12.671 -3.439 1.00 0.00 H ATOM 1527 HD2 LYS A 101 -4.887 14.791 -2.671 1.00 0.00 H ATOM 1528 HD3 LYS A 101 -5.705 15.684 -3.974 1.00 0.00 H ATOM 1529 HE2 LYS A 101 -7.117 14.054 -1.819 1.00 0.00 H ATOM 1530 HE3 LYS A 101 -7.900 15.030 -3.083 1.00 0.00 H ATOM 1531 HZ1 LYS A 101 -6.142 16.082 -0.912 1.00 0.00 H ATOM 1532 HZ2 LYS A 101 -6.889 17.015 -2.119 1.00 0.00 H ATOM 1533 HZ3 LYS A 101 -7.836 16.203 -0.965 1.00 0.00 H ATOM 1534 H LYS A 101 -6.496 13.181 -6.928 1.00 0.00 H ATOM 1535 N GLU A 102 -2.559 15.086 -6.833 1.00 29.86 N ATOM 1536 CA GLU A 102 -1.209 15.109 -7.353 1.00 29.70 C ATOM 1537 C GLU A 102 -0.385 14.033 -6.686 1.00 29.34 C ATOM 1538 O GLU A 102 -0.540 13.798 -5.480 1.00 30.88 O ATOM 1539 CB GLU A 102 -0.601 16.466 -6.967 1.00 32.19 C ATOM 1540 HA GLU A 102 -1.217 14.950 -8.431 1.00 0.00 H ATOM 1541 HB2 GLU A 102 -1.196 17.267 -7.405 1.00 0.00 H ATOM 1542 HB3 GLU A 102 -0.598 16.566 -5.882 1.00 0.00 H ATOM 1543 H GLU A 102 -2.848 15.876 -6.222 1.00 0.00 H ATOM 1544 N ASN A 103 0.510 13.409 -7.452 1.00 29.06 N ATOM 1545 CA ASN A 103 1.551 12.545 -6.871 1.00 29.35 C ATOM 1546 C ASN A 103 0.938 11.444 -6.005 1.00 27.55 C ATOM 1547 O ASN A 103 1.351 11.238 -4.881 1.00 27.52 O ATOM 1548 CB ASN A 103 2.524 13.390 -5.995 1.00 30.69 C ATOM 1549 CG ASN A 103 3.181 14.534 -6.763 1.00 37.37 C ATOM 1550 OD1 ASN A 103 3.901 14.306 -7.736 1.00 41.85 O ATOM 1551 ND2 ASN A 103 2.980 15.773 -6.283 1.00 42.30 N ATOM 1552 HA ASN A 103 2.095 12.085 -7.696 1.00 0.00 H ATOM 1553 HB2 ASN A 103 1.964 13.809 -5.160 1.00 0.00 H ATOM 1554 HB3 ASN A 103 3.306 12.734 -5.613 1.00 0.00 H ATOM 1555 HD22 ASN A 103 2.363 15.917 -5.458 1.00 0.00 H ATOM 1556 HD21 ASN A 103 3.441 16.587 -6.736 1.00 0.00 H ATOM 1557 H ASN A 103 0.472 13.535 -8.484 1.00 0.00 H ATOM 1558 N ARG A 104 -0.052 10.747 -6.553 1.00 25.87 N ATOM 1559 CA ARG A 104 -0.722 9.671 -5.831 1.00 23.49 C ATOM 1560 C ARG A 104 -0.178 8.308 -6.244 1.00 21.59 C ATOM 1561 O ARG A 104 0.195 8.101 -7.398 1.00 20.91 O ATOM 1562 CB ARG A 104 -2.233 9.728 -6.067 1.00 24.25 C ATOM 1563 CG ARG A 104 -3.062 9.225 -4.896 1.00 23.04 C ATOM 1564 CD ARG A 104 -4.540 9.176 -5.248 1.00 26.06 C ATOM 1565 NE ARG A 104 -5.274 8.245 -4.396 1.00 22.79 N ATOM 1566 CZ ARG A 104 -6.533 8.422 -4.007 1.00 20.11 C ATOM 1567 NH1 ARG A 104 -7.204 9.498 -4.395 1.00 23.08 N ATOM 1568 NH2 ARG A 104 -7.122 7.522 -3.231 1.00 20.92 N ATOM 1569 HA ARG A 104 -0.524 9.809 -4.768 1.00 0.00 H ATOM 1570 HB2 ARG A 104 -2.510 10.764 -6.264 1.00 0.00 H ATOM 1571 HB3 ARG A 104 -2.467 9.118 -6.940 1.00 0.00 H ATOM 1572 HG2 ARG A 104 -2.727 8.223 -4.627 1.00 0.00 H ATOM 1573 HG3 ARG A 104 -2.921 9.894 -4.047 1.00 0.00 H ATOM 1574 HD2 ARG A 104 -4.645 8.861 -6.286 1.00 0.00 H ATOM 1575 HD3 ARG A 104 -4.964 10.173 -5.128 1.00 0.00 H ATOM 1576 HE ARG A 104 -4.780 7.389 -4.073 1.00 0.00 H ATOM 1577 HH12 ARG A 104 -8.189 9.635 -4.090 1.00 0.00 H ATOM 1578 HH11 ARG A 104 -6.745 10.205 -5.005 1.00 0.00 H ATOM 1579 HH22 ARG A 104 -8.107 7.662 -2.928 1.00 0.00 H ATOM 1580 HH21 ARG A 104 -6.599 6.676 -2.926 1.00 0.00 H ATOM 1581 H ARG A 104 -0.357 10.974 -7.521 1.00 0.00 H ATOM 1582 N GLY A 105 -0.136 7.380 -5.294 1.00 20.97 N ATOM 1583 CA GLY A 105 0.356 6.041 -5.560 1.00 20.49 C ATOM 1584 C GLY A 105 1.133 5.462 -4.394 1.00 19.74 C ATOM 1585 O GLY A 105 0.879 5.799 -3.237 1.00 19.39 O ATOM 1586 HA3 GLY A 105 1.009 6.076 -6.432 1.00 0.00 H ATOM 1587 HA2 GLY A 105 -0.494 5.392 -5.770 1.00 0.00 H ATOM 1588 H GLY A 105 -0.464 7.619 -4.336 1.00 0.00 H ATOM 1589 N TRP A 106 2.083 4.585 -4.700 1.00 20.65 N ATOM 1590 CA TRP A 106 2.900 3.950 -3.673 1.00 21.17 C ATOM 1591 C TRP A 106 3.985 3.076 -4.293 1.00 22.10 C ATOM 1592 O TRP A 106 3.764 2.426 -5.315 1.00 21.06 O ATOM 1593 CB TRP A 106 2.026 3.115 -2.735 1.00 20.05 C ATOM 1594 CG TRP A 106 1.043 2.240 -3.451 1.00 19.11 C ATOM 1595 CD1 TRP A 106 -0.314 2.379 -3.474 1.00 25.47 C ATOM 1596 CD2 TRP A 106 1.342 1.087 -4.249 1.00 22.93 C ATOM 1597 NE1 TRP A 106 -0.879 1.385 -4.237 1.00 22.42 N ATOM 1598 CE2 TRP A 106 0.117 0.579 -4.724 1.00 22.78 C ATOM 1599 CE3 TRP A 106 2.526 0.436 -4.607 1.00 22.82 C ATOM 1600 CZ2 TRP A 106 0.041 -0.549 -5.538 1.00 20.22 C ATOM 1601 CZ3 TRP A 106 2.450 -0.683 -5.416 1.00 23.61 C ATOM 1602 CH2 TRP A 106 1.216 -1.164 -5.872 1.00 21.75 C ATOM 1603 HA TRP A 106 3.385 4.739 -3.098 1.00 0.00 H ATOM 1604 HB2 TRP A 106 2.676 2.481 -2.131 1.00 0.00 H ATOM 1605 HB3 TRP A 106 1.474 3.793 -2.084 1.00 0.00 H ATOM 1606 HE1 TRP A 106 -1.896 1.264 -4.416 1.00 0.00 H ATOM 1607 HD1 TRP A 106 -0.870 3.164 -2.962 1.00 0.00 H ATOM 1608 HZ2 TRP A 106 -0.917 -0.927 -5.895 1.00 0.00 H ATOM 1609 HH2 TRP A 106 1.192 -2.049 -6.508 1.00 0.00 H ATOM 1610 HZ3 TRP A 106 3.366 -1.199 -5.704 1.00 0.00 H ATOM 1611 HE3 TRP A 106 3.490 0.803 -4.255 1.00 0.00 H ATOM 1612 H TRP A 106 2.248 4.345 -5.698 1.00 0.00 H ATOM 1613 N LYS A 107 5.158 3.065 -3.668 1.00 22.10 N ATOM 1614 CA LYS A 107 6.277 2.266 -4.153 1.00 22.36 C ATOM 1615 C LYS A 107 6.503 1.044 -3.269 1.00 21.12 C ATOM 1616 O LYS A 107 6.733 1.170 -2.066 1.00 20.96 O ATOM 1617 CB LYS A 107 7.551 3.112 -4.217 1.00 21.07 C ATOM 1618 CG LYS A 107 7.776 3.793 -5.557 1.00 28.18 C ATOM 1619 CD LYS A 107 8.488 5.125 -5.387 1.00 36.77 C ATOM 1620 CE LYS A 107 8.005 6.144 -6.406 1.00 39.99 C ATOM 1621 NZ LYS A 107 9.100 7.053 -6.845 1.00 42.21 N ATOM 1622 HA LYS A 107 6.031 1.921 -5.157 1.00 0.00 H ATOM 1623 HB2 LYS A 107 7.491 3.881 -3.447 1.00 0.00 H ATOM 1624 HB3 LYS A 107 8.404 2.464 -4.015 1.00 0.00 H ATOM 1625 HG2 LYS A 107 8.383 3.144 -6.188 1.00 0.00 H ATOM 1626 HG3 LYS A 107 6.811 3.964 -6.035 1.00 0.00 H ATOM 1627 HD2 LYS A 107 8.294 5.506 -4.384 1.00 0.00 H ATOM 1628 HD3 LYS A 107 9.560 4.974 -5.516 1.00 0.00 H ATOM 1629 HE2 LYS A 107 7.210 6.740 -5.959 1.00 0.00 H ATOM 1630 HE3 LYS A 107 7.615 5.615 -7.276 1.00 0.00 H ATOM 1631 HZ1 LYS A 107 9.473 7.567 -6.022 1.00 0.00 H ATOM 1632 HZ2 LYS A 107 9.861 6.493 -7.280 1.00 0.00 H ATOM 1633 HZ3 LYS A 107 8.728 7.732 -7.539 1.00 0.00 H ATOM 1634 H LYS A 107 5.281 3.641 -2.811 1.00 0.00 H ATOM 1635 N LYS A 108 6.436 -0.138 -3.874 1.00 23.59 N ATOM 1636 CA LYS A 108 6.626 -1.384 -3.141 1.00 22.00 C ATOM 1637 C LYS A 108 7.883 -2.114 -3.604 1.00 24.21 C ATOM 1638 O LYS A 108 8.043 -2.404 -4.789 1.00 22.18 O ATOM 1639 CB LYS A 108 5.404 -2.290 -3.299 1.00 24.05 C ATOM 1640 CG LYS A 108 5.049 -3.077 -2.048 1.00 26.74 C ATOM 1641 CD LYS A 108 3.746 -3.840 -2.227 1.00 31.03 C ATOM 1642 CE LYS A 108 2.629 -3.227 -1.400 1.00 31.49 C ATOM 1643 NZ LYS A 108 1.494 -2.772 -2.250 1.00 31.71 N ATOM 1644 HA LYS A 108 6.748 -1.133 -2.087 1.00 0.00 H ATOM 1645 HB2 LYS A 108 4.549 -1.669 -3.567 1.00 0.00 H ATOM 1646 HB3 LYS A 108 5.604 -2.998 -4.104 1.00 0.00 H ATOM 1647 HG2 LYS A 108 5.849 -3.786 -1.835 1.00 0.00 H ATOM 1648 HG3 LYS A 108 4.944 -2.386 -1.211 1.00 0.00 H ATOM 1649 HD2 LYS A 108 3.463 -3.817 -3.279 1.00 0.00 H ATOM 1650 HD3 LYS A 108 3.894 -4.874 -1.914 1.00 0.00 H ATOM 1651 HE2 LYS A 108 3.024 -2.372 -0.852 1.00 0.00 H ATOM 1652 HE3 LYS A 108 2.264 -3.972 -0.693 1.00 0.00 H ATOM 1653 HZ1 LYS A 108 1.832 -2.055 -2.923 1.00 0.00 H ATOM 1654 HZ2 LYS A 108 1.106 -3.584 -2.772 1.00 0.00 H ATOM 1655 HZ3 LYS A 108 0.754 -2.360 -1.646 1.00 0.00 H ATOM 1656 H LYS A 108 6.243 -0.175 -4.895 1.00 0.00 H ATOM 1657 N TRP A 109 8.772 -2.407 -2.661 1.00 23.44 N ATOM 1658 CA TRP A 109 10.015 -3.104 -2.970 1.00 26.09 C ATOM 1659 C TRP A 109 10.288 -4.217 -1.964 1.00 26.58 C ATOM 1660 O TRP A 109 9.362 -4.781 -1.382 1.00 26.31 O ATOM 1661 CB TRP A 109 11.188 -2.121 -3.000 1.00 25.85 C ATOM 1662 CG TRP A 109 11.350 -1.343 -1.730 1.00 28.33 C ATOM 1663 CD1 TRP A 109 11.899 -1.785 -0.562 1.00 30.29 C ATOM 1664 CD2 TRP A 109 10.959 0.017 -1.501 1.00 24.74 C ATOM 1665 NE1 TRP A 109 11.875 -0.785 0.381 1.00 30.66 N ATOM 1666 CE2 TRP A 109 11.303 0.331 -0.171 1.00 29.10 C ATOM 1667 CE3 TRP A 109 10.352 0.998 -2.290 1.00 29.76 C ATOM 1668 CZ2 TRP A 109 11.060 1.584 0.387 1.00 29.04 C ATOM 1669 CZ3 TRP A 109 10.112 2.242 -1.735 1.00 25.46 C ATOM 1670 CH2 TRP A 109 10.465 2.524 -0.409 1.00 29.99 C ATOM 1671 HA TRP A 109 9.907 -3.556 -3.956 1.00 0.00 H ATOM 1672 HB2 TRP A 109 12.105 -2.683 -3.180 1.00 0.00 H ATOM 1673 HB3 TRP A 109 11.028 -1.418 -3.817 1.00 0.00 H ATOM 1674 HE1 TRP A 109 12.233 -0.863 1.354 1.00 0.00 H ATOM 1675 HD1 TRP A 109 12.299 -2.786 -0.400 1.00 0.00 H ATOM 1676 HZ2 TRP A 109 11.333 1.807 1.418 1.00 0.00 H ATOM 1677 HH2 TRP A 109 10.261 3.515 -0.002 1.00 0.00 H ATOM 1678 HZ3 TRP A 109 9.640 3.016 -2.340 1.00 0.00 H ATOM 1679 HE3 TRP A 109 10.073 0.787 -3.322 1.00 0.00 H ATOM 1680 H TRP A 109 8.576 -2.132 -1.677 1.00 0.00 H ATOM 1681 N ILE A 110 11.565 -4.527 -1.764 1.00 29.82 N ATOM 1682 CA ILE A 110 11.961 -5.574 -0.829 1.00 32.67 C ATOM 1683 C ILE A 110 13.403 -5.391 -0.369 1.00 35.65 C ATOM 1684 O ILE A 110 14.311 -5.234 -1.186 1.00 34.91 O ATOM 1685 CB ILE A 110 11.804 -6.975 -1.451 1.00 34.12 C ATOM 1686 CG1 ILE A 110 10.370 -7.183 -1.942 1.00 33.67 C ATOM 1687 CG2 ILE A 110 12.189 -8.050 -0.446 1.00 33.58 C ATOM 1688 CD1 ILE A 110 9.478 -7.885 -0.943 1.00 36.04 C ATOM 1689 HA ILE A 110 11.298 -5.491 0.032 1.00 0.00 H ATOM 1690 HB ILE A 110 12.474 -7.052 -2.307 1.00 0.00 H ATOM 1691 HG12 ILE A 110 9.937 -6.207 -2.163 1.00 0.00 H ATOM 1692 HG13 ILE A 110 10.402 -7.780 -2.853 1.00 0.00 H ATOM 1693 HD11 ILE A 110 9.890 -8.869 -0.719 1.00 0.00 H ATOM 1694 HD12 ILE A 110 9.425 -7.295 -0.028 1.00 0.00 H ATOM 1695 HD13 ILE A 110 8.479 -7.995 -1.364 1.00 0.00 H ATOM 1696 HG21 ILE A 110 13.227 -7.910 -0.146 1.00 0.00 H ATOM 1697 HG22 ILE A 110 11.543 -7.976 0.429 1.00 0.00 H ATOM 1698 HG23 ILE A 110 12.072 -9.032 -0.904 1.00 0.00 H ATOM 1699 H ILE A 110 12.300 -4.010 -2.287 1.00 0.00 H ATOM 1700 N GLU A 111 13.607 -5.413 0.944 1.00 37.20 N ATOM 1701 CA GLU A 111 14.938 -5.257 1.517 1.00 39.29 C ATOM 1702 C GLU A 111 15.133 -6.186 2.710 1.00 39.29 C ATOM 1703 O GLU A 111 14.494 -6.020 3.749 1.00 41.20 O ATOM 1704 CB GLU A 111 15.173 -3.805 1.938 1.00 39.29 C ATOM 1705 CG GLU A 111 15.112 -2.808 0.792 1.00 44.70 C ATOM 1706 CD GLU A 111 15.752 -1.479 1.140 1.00 51.50 C ATOM 1707 OE1 GLU A 111 16.756 -1.113 0.492 1.00 54.98 O ATOM 1708 OE2 GLU A 111 15.253 -0.800 2.061 1.00 53.07 O ATOM 1709 HA GLU A 111 15.666 -5.525 0.751 1.00 0.00 H ATOM 1710 HB2 GLU A 111 14.412 -3.533 2.669 1.00 0.00 H ATOM 1711 HB3 GLU A 111 16.159 -3.737 2.399 1.00 0.00 H ATOM 1712 HG2 GLU A 111 15.632 -3.232 -0.067 1.00 0.00 H ATOM 1713 HG3 GLU A 111 14.067 -2.636 0.534 1.00 0.00 H ATOM 1714 H GLU A 111 12.795 -5.545 1.580 1.00 0.00 H ATOM 1715 N GLY A 112 16.017 -7.166 2.553 1.00 40.60 N ATOM 1716 CA GLY A 112 16.289 -8.139 3.623 1.00 40.85 C ATOM 1717 C GLY A 112 14.996 -8.915 3.867 1.00 40.72 C ATOM 1718 O GLY A 112 14.350 -9.362 2.922 1.00 41.23 O ATOM 1719 HA3 GLY A 112 16.591 -7.620 4.533 1.00 0.00 H ATOM 1720 HA2 GLY A 112 17.082 -8.821 3.316 1.00 0.00 H ATOM 1721 H GLY A 112 16.529 -7.247 1.652 1.00 0.00 H ATOM 1722 N ASN A 113 14.590 -9.036 5.131 1.00 41.37 N ATOM 1723 CA ASN A 113 13.375 -9.810 5.488 1.00 40.72 C ATOM 1724 C ASN A 113 12.110 -8.926 5.722 1.00 39.63 C ATOM 1725 O ASN A 113 11.126 -9.356 6.355 1.00 40.74 O ATOM 1726 CB ASN A 113 13.644 -10.664 6.728 1.00 20.00 C ATOM 1727 HA ASN A 113 13.155 -10.442 4.628 1.00 0.00 H ATOM 1728 HB2 ASN A 113 14.462 -11.354 6.522 1.00 0.00 H ATOM 1729 HB3 ASN A 113 13.915 -10.016 7.562 1.00 0.00 H ATOM 1730 H ASN A 113 15.138 -8.577 5.886 1.00 0.00 H ATOM 1731 N LYS A 114 12.145 -7.701 5.206 1.00 38.13 N ATOM 1732 CA LYS A 114 11.073 -6.729 5.436 1.00 35.47 C ATOM 1733 C LYS A 114 10.429 -6.372 4.107 1.00 33.33 C ATOM 1734 O LYS A 114 11.046 -6.529 3.066 1.00 33.85 O ATOM 1735 CB LYS A 114 11.631 -5.463 6.078 1.00 35.85 C ATOM 1736 CG LYS A 114 12.075 -5.664 7.541 1.00 38.72 C ATOM 1737 CD LYS A 114 12.817 -4.441 8.037 1.00 43.87 C ATOM 1738 CE LYS A 114 13.389 -4.653 9.449 1.00 47.90 C ATOM 1739 NZ LYS A 114 14.497 -3.689 9.688 1.00 48.98 N ATOM 1740 HA LYS A 114 10.334 -7.169 6.106 1.00 0.00 H ATOM 1741 HB2 LYS A 114 12.492 -5.131 5.498 1.00 0.00 H ATOM 1742 HB3 LYS A 114 10.859 -4.693 6.053 1.00 0.00 H ATOM 1743 HG2 LYS A 114 11.196 -5.829 8.164 1.00 0.00 H ATOM 1744 HG3 LYS A 114 12.731 -6.532 7.602 1.00 0.00 H ATOM 1745 HD2 LYS A 114 13.637 -4.224 7.353 1.00 0.00 H ATOM 1746 HD3 LYS A 114 12.130 -3.595 8.058 1.00 0.00 H ATOM 1747 HE2 LYS A 114 13.768 -5.671 9.538 1.00 0.00 H ATOM 1748 HE3 LYS A 114 12.603 -4.493 10.187 1.00 0.00 H ATOM 1749 HZ1 LYS A 114 15.247 -3.843 8.984 1.00 0.00 H ATOM 1750 HZ2 LYS A 114 14.134 -2.718 9.603 1.00 0.00 H ATOM 1751 HZ3 LYS A 114 14.882 -3.835 10.643 1.00 0.00 H ATOM 1752 H LYS A 114 12.959 -7.424 4.621 1.00 0.00 H ATOM 1753 N LEU A 115 9.173 -5.930 4.166 1.00 29.72 N ATOM 1754 CA LEU A 115 8.515 -5.286 3.030 1.00 26.32 C ATOM 1755 C LEU A 115 8.373 -3.817 3.396 1.00 23.20 C ATOM 1756 O LEU A 115 7.886 -3.482 4.501 1.00 25.36 O ATOM 1757 CB LEU A 115 7.158 -5.909 2.789 1.00 26.95 C ATOM 1758 CG LEU A 115 6.309 -5.338 1.659 1.00 27.67 C ATOM 1759 CD1 LEU A 115 5.369 -6.387 1.161 1.00 33.11 C ATOM 1760 CD2 LEU A 115 5.590 -4.044 1.961 1.00 31.65 C ATOM 1761 HA LEU A 115 9.092 -5.408 2.113 1.00 0.00 H ATOM 1762 HB2 LEU A 115 7.318 -6.966 2.575 1.00 0.00 H ATOM 1763 HB3 LEU A 115 6.585 -5.809 3.711 1.00 0.00 H ATOM 1764 HG LEU A 115 7.014 -5.055 0.877 1.00 0.00 H ATOM 1765 HD21 LEU A 115 4.914 -4.193 2.803 1.00 0.00 H ATOM 1766 HD22 LEU A 115 6.320 -3.274 2.211 1.00 0.00 H ATOM 1767 HD23 LEU A 115 5.019 -3.734 1.086 1.00 0.00 H ATOM 1768 HD11 LEU A 115 5.940 -7.239 0.792 1.00 0.00 H ATOM 1769 HD12 LEU A 115 4.720 -6.708 1.976 1.00 0.00 H ATOM 1770 HD13 LEU A 115 4.763 -5.976 0.353 1.00 0.00 H ATOM 1771 H LEU A 115 8.642 -6.047 5.052 1.00 0.00 H ATOM 1772 N TYR A 116 8.785 -2.963 2.480 1.00 22.15 N ATOM 1773 CA TYR A 116 8.687 -1.518 2.628 1.00 22.09 C ATOM 1774 C TYR A 116 7.563 -1.025 1.727 1.00 21.56 C ATOM 1775 O TYR A 116 7.462 -1.471 0.587 1.00 21.39 O ATOM 1776 CB TYR A 116 9.996 -0.812 2.279 1.00 25.04 C ATOM 1777 CG TYR A 116 11.118 -1.120 3.254 1.00 27.51 C ATOM 1778 CD1 TYR A 116 11.728 -2.386 3.280 1.00 32.17 C ATOM 1779 CD2 TYR A 116 11.527 -0.142 4.177 1.00 33.01 C ATOM 1780 CE1 TYR A 116 12.777 -2.659 4.236 1.00 37.21 C ATOM 1781 CE2 TYR A 116 12.536 -0.403 5.102 1.00 35.27 C ATOM 1782 CZ TYR A 116 13.134 -1.668 5.121 1.00 36.48 C ATOM 1783 OH TYR A 116 14.150 -1.913 6.030 1.00 40.33 O ATOM 1784 HA TYR A 116 8.476 -1.284 3.672 1.00 0.00 H ATOM 1785 HB3 TYR A 116 9.821 0.264 2.280 1.00 0.00 H ATOM 1786 HB2 TYR A 116 10.306 -1.128 1.283 1.00 0.00 H ATOM 1787 HD2 TYR A 116 11.047 0.837 4.169 1.00 0.00 H ATOM 1788 HE2 TYR A 116 12.856 0.369 5.802 1.00 0.00 H ATOM 1789 HE1 TYR A 116 13.274 -3.629 4.255 1.00 0.00 H ATOM 1790 HD1 TYR A 116 11.411 -3.160 2.581 1.00 0.00 H ATOM 1791 HH TYR A 116 13.807 -1.785 6.950 1.00 0.00 H ATOM 1792 H TYR A 116 9.202 -3.341 1.606 1.00 0.00 H ATOM 1793 N LEU A 117 6.718 -0.132 2.260 1.00 21.87 N ATOM 1794 CA LEU A 117 5.648 0.493 1.505 1.00 21.52 C ATOM 1795 C LEU A 117 5.675 2.014 1.731 1.00 23.91 C ATOM 1796 O LEU A 117 5.602 2.461 2.892 1.00 25.32 O ATOM 1797 CB LEU A 117 4.323 -0.124 1.956 1.00 23.08 C ATOM 1798 CG LEU A 117 3.051 0.500 1.343 1.00 21.21 C ATOM 1799 CD1 LEU A 117 3.107 0.509 -0.225 1.00 24.67 C ATOM 1800 CD2 LEU A 117 1.815 -0.200 1.884 1.00 27.25 C ATOM 1801 HA LEU A 117 5.772 0.321 0.436 1.00 0.00 H ATOM 1802 HB2 LEU A 117 4.338 -1.181 1.692 1.00 0.00 H ATOM 1803 HB3 LEU A 117 4.258 -0.023 3.039 1.00 0.00 H ATOM 1804 HG LEU A 117 2.994 1.546 1.643 1.00 0.00 H ATOM 1805 HD21 LEU A 117 1.856 -1.258 1.626 1.00 0.00 H ATOM 1806 HD22 LEU A 117 1.782 -0.090 2.968 1.00 0.00 H ATOM 1807 HD23 LEU A 117 0.924 0.248 1.445 1.00 0.00 H ATOM 1808 HD11 LEU A 117 3.968 1.091 -0.553 1.00 0.00 H ATOM 1809 HD12 LEU A 117 3.198 -0.514 -0.590 1.00 0.00 H ATOM 1810 HD13 LEU A 117 2.194 0.956 -0.617 1.00 0.00 H ATOM 1811 H LEU A 117 6.834 0.125 3.261 1.00 0.00 H ATOM 1812 N GLU A 118 5.798 2.787 0.644 1.00 22.25 N ATOM 1813 CA GLU A 118 5.890 4.211 0.718 1.00 24.25 C ATOM 1814 C GLU A 118 4.656 4.770 0.010 1.00 24.44 C ATOM 1815 O GLU A 118 4.546 4.602 -1.177 1.00 25.42 O ATOM 1816 CB GLU A 118 7.164 4.662 0.028 1.00 26.19 C ATOM 1817 CG GLU A 118 7.167 6.134 -0.351 1.00 32.83 C ATOM 1818 CD GLU A 118 8.520 6.569 -0.849 1.00 39.72 C ATOM 1819 OE1 GLU A 118 9.489 6.517 -0.034 1.00 42.13 O ATOM 1820 OE2 GLU A 118 8.597 6.954 -2.045 1.00 41.48 O ATOM 1821 HA GLU A 118 5.924 4.565 1.748 1.00 0.00 H ATOM 1822 HB2 GLU A 118 8.003 4.478 0.699 1.00 0.00 H ATOM 1823 HB3 GLU A 118 7.291 4.073 -0.880 1.00 0.00 H ATOM 1824 HG2 GLU A 118 6.429 6.300 -1.136 1.00 0.00 H ATOM 1825 HG3 GLU A 118 6.903 6.727 0.525 1.00 0.00 H ATOM 1826 H GLU A 118 5.828 2.333 -0.291 1.00 0.00 H ATOM 1827 N LEU A 119 3.702 5.303 0.774 1.00 22.66 N ATOM 1828 CA LEU A 119 2.440 5.833 0.203 1.00 24.08 C ATOM 1829 C LEU A 119 2.578 7.304 -0.019 1.00 24.38 C ATOM 1830 O LEU A 119 3.092 7.989 0.834 1.00 26.72 O ATOM 1831 CB LEU A 119 1.317 5.578 1.175 1.00 23.48 C ATOM 1832 CG LEU A 119 0.913 4.137 1.522 1.00 25.27 C ATOM 1833 CD1 LEU A 119 0.208 3.959 2.888 1.00 24.45 C ATOM 1834 CD2 LEU A 119 0.021 3.513 0.450 1.00 28.19 C ATOM 1835 HA LEU A 119 2.227 5.340 -0.746 1.00 0.00 H ATOM 1836 HB2 LEU A 119 1.596 6.061 2.112 1.00 0.00 H ATOM 1837 HB3 LEU A 119 0.431 6.064 0.767 1.00 0.00 H ATOM 1838 HG LEU A 119 1.873 3.624 1.577 1.00 0.00 H ATOM 1839 HD21 LEU A 119 -0.889 4.105 0.347 1.00 0.00 H ATOM 1840 HD22 LEU A 119 0.555 3.496 -0.500 1.00 0.00 H ATOM 1841 HD23 LEU A 119 -0.237 2.495 0.741 1.00 0.00 H ATOM 1842 HD11 LEU A 119 0.872 4.295 3.685 1.00 0.00 H ATOM 1843 HD12 LEU A 119 -0.708 4.550 2.903 1.00 0.00 H ATOM 1844 HD13 LEU A 119 -0.035 2.907 3.036 1.00 0.00 H ATOM 1845 H LEU A 119 3.847 5.349 1.803 1.00 0.00 H ATOM 1846 N THR A 120 2.216 7.793 -1.181 1.00 22.55 N ATOM 1847 CA THR A 120 2.341 9.232 -1.436 1.00 23.38 C ATOM 1848 C THR A 120 1.018 9.869 -1.823 1.00 23.55 C ATOM 1849 O THR A 120 0.171 9.236 -2.497 1.00 20.28 O ATOM 1850 CB THR A 120 3.402 9.491 -2.535 1.00 23.57 C ATOM 1851 OG1 THR A 120 3.002 8.781 -3.737 1.00 24.07 O ATOM 1852 CG2 THR A 120 4.774 8.907 -2.080 1.00 22.43 C ATOM 1853 HA THR A 120 2.661 9.697 -0.504 1.00 0.00 H ATOM 1854 HB THR A 120 3.485 10.563 -2.715 1.00 0.00 H ATOM 1855 HG1 THR A 120 3.671 8.937 -4.449 1.00 0.00 H ATOM 1856 HG23 THR A 120 5.104 9.420 -1.177 1.00 0.00 H ATOM 1857 HG21 THR A 120 4.664 7.842 -1.875 1.00 0.00 H ATOM 1858 HG22 THR A 120 5.510 9.052 -2.871 1.00 0.00 H ATOM 1859 H THR A 120 1.842 7.163 -1.919 1.00 0.00 H ATOM 1860 N CYS A 121 0.814 11.127 -1.406 1.00 24.44 N ATOM 1861 CA CYS A 121 -0.232 11.928 -1.971 1.00 25.88 C ATOM 1862 C CYS A 121 0.111 13.409 -1.784 1.00 26.69 C ATOM 1863 O CYS A 121 0.436 13.832 -0.659 1.00 25.86 O ATOM 1864 CB CYS A 121 -1.525 11.633 -1.216 1.00 24.97 C ATOM 1865 SG CYS A 121 -2.944 12.532 -1.868 1.00 30.17 S ATOM 1866 HA CYS A 121 -0.344 11.703 -3.032 1.00 0.00 H ATOM 1867 HB2 CYS A 121 -1.388 11.911 -0.171 1.00 0.00 H ATOM 1868 HB3 CYS A 121 -1.730 10.565 -1.283 1.00 0.00 H ATOM 1869 HG CYS A 121 -4.067 12.211 -1.133 1.00 0.00 H ATOM 1870 H CYS A 121 1.422 11.527 -0.663 1.00 0.00 H ATOM 1871 N GLY A 122 0.022 14.204 -2.845 1.00 28.26 N ATOM 1872 CA GLY A 122 0.304 15.643 -2.687 1.00 31.08 C ATOM 1873 C GLY A 122 1.752 15.814 -2.256 1.00 30.91 C ATOM 1874 O GLY A 122 2.608 15.254 -2.865 1.00 32.33 O ATOM 1875 HA3 GLY A 122 -0.356 16.065 -1.929 1.00 0.00 H ATOM 1876 HA2 GLY A 122 0.141 16.155 -3.635 1.00 0.00 H ATOM 1877 H GLY A 122 -0.243 13.817 -3.773 1.00 0.00 H ATOM 1878 N ASP A 123 2.019 16.548 -1.162 1.00 34.37 N ATOM 1879 CA ASP A 123 3.378 16.681 -0.645 1.00 34.08 C ATOM 1880 C ASP A 123 3.753 15.664 0.459 1.00 33.89 C ATOM 1881 O ASP A 123 4.856 15.734 1.049 1.00 33.77 O ATOM 1882 CB ASP A 123 3.619 18.141 -0.146 1.00 36.36 C ATOM 1883 CG ASP A 123 2.524 18.667 0.845 1.00 39.67 C ATOM 1884 OD1 ASP A 123 1.813 17.901 1.533 1.00 43.12 O ATOM 1885 OD2 ASP A 123 2.379 19.925 0.968 1.00 46.58 O ATOM 1886 HA ASP A 123 4.037 16.451 -1.482 1.00 0.00 H ATOM 1887 HB2 ASP A 123 4.584 18.175 0.360 1.00 0.00 H ATOM 1888 HB3 ASP A 123 3.641 18.800 -1.014 1.00 0.00 H ATOM 1889 H ASP A 123 1.240 17.032 -0.673 1.00 0.00 H ATOM 1890 N GLN A 124 2.869 14.704 0.730 1.00 29.78 N ATOM 1891 CA GLN A 124 3.040 13.841 1.891 1.00 28.24 C ATOM 1892 C GLN A 124 3.584 12.477 1.506 1.00 27.33 C ATOM 1893 O GLN A 124 3.218 11.930 0.446 1.00 24.96 O ATOM 1894 CB GLN A 124 1.727 13.710 2.662 1.00 29.16 C ATOM 1895 CG GLN A 124 1.175 15.040 3.210 1.00 29.22 C ATOM 1896 CD GLN A 124 2.020 15.641 4.332 1.00 32.72 C ATOM 1897 OE1 GLN A 124 2.489 14.942 5.242 1.00 30.30 O ATOM 1898 NE2 GLN A 124 2.137 16.972 4.308 1.00 35.48 N ATOM 1899 HA GLN A 124 3.778 14.309 2.543 1.00 0.00 H ATOM 1900 HB2 GLN A 124 0.981 13.280 1.994 1.00 0.00 H ATOM 1901 HB3 GLN A 124 1.891 13.036 3.503 1.00 0.00 H ATOM 1902 HG2 GLN A 124 1.130 15.758 2.391 1.00 0.00 H ATOM 1903 HG3 GLN A 124 0.170 14.864 3.593 1.00 0.00 H ATOM 1904 HE22 GLN A 124 1.726 17.516 3.523 1.00 0.00 H ATOM 1905 HE21 GLN A 124 2.639 17.464 5.075 1.00 0.00 H ATOM 1906 H GLN A 124 2.048 14.570 0.106 1.00 0.00 H ATOM 1907 N VAL A 125 4.453 11.918 2.347 1.00 27.37 N ATOM 1908 CA VAL A 125 4.976 10.566 2.155 1.00 27.51 C ATOM 1909 C VAL A 125 4.755 9.795 3.455 1.00 27.58 C ATOM 1910 O VAL A 125 5.195 10.223 4.551 1.00 29.54 O ATOM 1911 CB VAL A 125 6.510 10.533 1.797 1.00 27.22 C ATOM 1912 CG1 VAL A 125 7.013 9.090 1.822 1.00 29.54 C ATOM 1913 CG2 VAL A 125 6.807 11.196 0.442 1.00 27.89 C ATOM 1914 HA VAL A 125 4.449 10.120 1.311 1.00 0.00 H ATOM 1915 HB VAL A 125 7.043 11.114 2.550 1.00 0.00 H ATOM 1916 HG11 VAL A 125 6.864 8.672 2.818 1.00 0.00 H ATOM 1917 HG12 VAL A 125 6.458 8.500 1.092 1.00 0.00 H ATOM 1918 HG13 VAL A 125 8.074 9.072 1.574 1.00 0.00 H ATOM 1919 HG21 VAL A 125 6.265 10.671 -0.344 1.00 0.00 H ATOM 1920 HG22 VAL A 125 6.489 12.238 0.471 1.00 0.00 H ATOM 1921 HG23 VAL A 125 7.877 11.147 0.242 1.00 0.00 H ATOM 1922 H VAL A 125 4.772 12.465 3.172 1.00 0.00 H ATOM 1923 N CYS A 126 4.084 8.659 3.374 1.00 25.86 N ATOM 1924 CA CYS A 126 3.940 7.811 4.543 1.00 24.57 C ATOM 1925 C CYS A 126 4.841 6.583 4.309 1.00 25.38 C ATOM 1926 O CYS A 126 4.791 5.993 3.242 1.00 24.11 O ATOM 1927 CB CYS A 126 2.463 7.396 4.803 1.00 24.78 C ATOM 1928 SG CYS A 126 2.212 5.937 5.814 1.00 25.39 S ATOM 1929 HA CYS A 126 4.241 8.354 5.439 1.00 0.00 H ATOM 1930 HB2 CYS A 126 1.994 7.215 3.836 1.00 0.00 H ATOM 1931 HB3 CYS A 126 1.965 8.231 5.296 1.00 0.00 H ATOM 1932 HG CYS A 126 2.774 6.139 7.058 1.00 0.00 H ATOM 1933 H CYS A 126 3.658 8.372 2.470 1.00 0.00 H ATOM 1934 N ARG A 127 5.691 6.230 5.272 1.00 25.00 N ATOM 1935 CA ARG A 127 6.570 5.068 5.189 1.00 25.77 C ATOM 1936 C ARG A 127 6.179 3.948 6.145 1.00 26.05 C ATOM 1937 O ARG A 127 6.163 4.119 7.380 1.00 28.00 O ATOM 1938 CB ARG A 127 8.030 5.469 5.506 1.00 26.93 C ATOM 1939 CG ARG A 127 8.503 6.646 4.677 1.00 30.52 C ATOM 1940 CD ARG A 127 9.931 7.127 4.891 1.00 40.12 C ATOM 1941 NE ARG A 127 10.028 8.555 4.526 1.00 45.58 N ATOM 1942 CZ ARG A 127 10.314 9.041 3.313 1.00 49.98 C ATOM 1943 NH1 ARG A 127 10.572 8.233 2.287 1.00 51.44 N ATOM 1944 NH2 ARG A 127 10.342 10.361 3.121 1.00 51.70 N ATOM 1945 HA ARG A 127 6.473 4.700 4.168 1.00 0.00 H ATOM 1946 HB2 ARG A 127 8.098 5.734 6.561 1.00 0.00 H ATOM 1947 HB3 ARG A 127 8.678 4.616 5.304 1.00 0.00 H ATOM 1948 HG2 ARG A 127 8.406 6.367 3.628 1.00 0.00 H ATOM 1949 HG3 ARG A 127 7.840 7.484 4.891 1.00 0.00 H ATOM 1950 HD2 ARG A 127 10.609 6.545 4.266 1.00 0.00 H ATOM 1951 HD3 ARG A 127 10.205 7.000 5.938 1.00 0.00 H ATOM 1952 HE ARG A 127 9.858 9.248 5.283 1.00 0.00 H ATOM 1953 HH12 ARG A 127 10.792 8.633 1.353 1.00 0.00 H ATOM 1954 HH11 ARG A 127 10.554 7.202 2.420 1.00 0.00 H ATOM 1955 HH22 ARG A 127 10.564 10.745 2.180 1.00 0.00 H ATOM 1956 HH21 ARG A 127 10.142 11.006 3.912 1.00 0.00 H ATOM 1957 H ARG A 127 5.730 6.815 6.131 1.00 0.00 H ATOM 1958 N GLN A 128 5.821 2.809 5.590 1.00 24.81 N ATOM 1959 CA GLN A 128 5.481 1.643 6.386 1.00 23.08 C ATOM 1960 C GLN A 128 6.512 0.525 6.200 1.00 24.58 C ATOM 1961 O GLN A 128 7.069 0.330 5.125 1.00 24.29 O ATOM 1962 CB GLN A 128 4.061 1.175 6.007 1.00 23.96 C ATOM 1963 CG GLN A 128 3.021 2.322 6.196 1.00 24.01 C ATOM 1964 CD GLN A 128 1.618 1.895 5.856 1.00 23.62 C ATOM 1965 OE1 GLN A 128 1.416 0.879 5.209 1.00 25.24 O ATOM 1966 NE2 GLN A 128 0.636 2.697 6.253 1.00 28.06 N ATOM 1967 HA GLN A 128 5.497 1.909 7.443 1.00 0.00 H ATOM 1968 HB2 GLN A 128 4.057 0.859 4.964 1.00 0.00 H ATOM 1969 HB3 GLN A 128 3.782 0.334 6.641 1.00 0.00 H ATOM 1970 HG2 GLN A 128 3.045 2.647 7.236 1.00 0.00 H ATOM 1971 HG3 GLN A 128 3.299 3.155 5.550 1.00 0.00 H ATOM 1972 HE22 GLN A 128 0.854 3.553 6.803 1.00 0.00 H ATOM 1973 HE21 GLN A 128 -0.350 2.469 6.014 1.00 0.00 H ATOM 1974 H GLN A 128 5.781 2.743 4.553 1.00 0.00 H ATOM 1975 N VAL A 129 6.765 -0.199 7.278 1.00 23.61 N ATOM 1976 CA VAL A 129 7.571 -1.445 7.235 1.00 24.06 C ATOM 1977 C VAL A 129 6.825 -2.653 7.751 1.00 22.66 C ATOM 1978 O VAL A 129 6.156 -2.555 8.802 1.00 24.47 O ATOM 1979 CB VAL A 129 8.838 -1.224 8.064 1.00 24.65 C ATOM 1980 CG1 VAL A 129 9.785 -2.471 7.975 1.00 28.69 C ATOM 1981 CG2 VAL A 129 9.503 -0.003 7.625 1.00 25.24 C ATOM 1982 HA VAL A 129 7.810 -1.655 6.192 1.00 0.00 H ATOM 1983 HB VAL A 129 8.568 -1.105 9.113 1.00 0.00 H ATOM 1984 HG11 VAL A 129 9.264 -3.349 8.355 1.00 0.00 H ATOM 1985 HG12 VAL A 129 10.068 -2.637 6.936 1.00 0.00 H ATOM 1986 HG13 VAL A 129 10.679 -2.290 8.572 1.00 0.00 H ATOM 1987 HG21 VAL A 129 9.770 -0.094 6.572 1.00 0.00 H ATOM 1988 HG22 VAL A 129 8.830 0.844 7.758 1.00 0.00 H ATOM 1989 HG23 VAL A 129 10.405 0.151 8.218 1.00 0.00 H ATOM 1990 H VAL A 129 6.384 0.117 8.192 1.00 0.00 H ATOM 1991 N PHE A 130 6.916 -3.784 7.063 1.00 23.35 N ATOM 1992 CA PHE A 130 6.255 -5.000 7.477 1.00 23.01 C ATOM 1993 C PHE A 130 7.253 -6.146 7.558 1.00 23.86 C ATOM 1994 O PHE A 130 8.224 -6.124 6.845 1.00 24.28 O ATOM 1995 CB PHE A 130 5.201 -5.402 6.480 1.00 21.27 C ATOM 1996 CG PHE A 130 4.060 -4.409 6.333 1.00 24.18 C ATOM 1997 CD1 PHE A 130 4.278 -3.232 5.586 1.00 25.41 C ATOM 1998 CD2 PHE A 130 2.781 -4.724 6.770 1.00 26.48 C ATOM 1999 CE1 PHE A 130 3.252 -2.325 5.402 1.00 23.62 C ATOM 2000 CE2 PHE A 130 1.722 -3.790 6.571 1.00 27.67 C ATOM 2001 CZ PHE A 130 1.985 -2.583 5.862 1.00 21.78 C ATOM 2002 HA PHE A 130 5.806 -4.806 8.451 1.00 0.00 H ATOM 2003 HB2 PHE A 130 5.679 -5.518 5.507 1.00 0.00 H ATOM 2004 HB3 PHE A 130 4.782 -6.358 6.794 1.00 0.00 H ATOM 2005 HD2 PHE A 130 2.588 -5.678 7.261 1.00 0.00 H ATOM 2006 HE2 PHE A 130 0.724 -3.997 6.957 1.00 0.00 H ATOM 2007 HZ PHE A 130 1.183 -1.867 5.685 1.00 0.00 H ATOM 2008 HE1 PHE A 130 3.452 -1.388 4.882 1.00 0.00 H ATOM 2009 HD1 PHE A 130 5.259 -3.038 5.153 1.00 0.00 H ATOM 2010 H PHE A 130 7.485 -3.795 6.192 1.00 0.00 H ATOM 2011 N LYS A 131 7.000 -7.110 8.441 1.00 26.21 N ATOM 2012 CA LYS A 131 7.788 -8.356 8.541 1.00 27.37 C ATOM 2013 C LYS A 131 6.879 -9.578 8.295 1.00 29.15 C ATOM 2014 O LYS A 131 5.674 -9.532 8.587 1.00 27.90 O ATOM 2015 CB LYS A 131 8.434 -8.426 9.945 1.00 29.13 C ATOM 2016 CG LYS A 131 7.525 -8.012 11.095 1.00 32.66 C ATOM 2017 CD LYS A 131 8.110 -8.320 12.510 1.00 40.44 C ATOM 2018 CE LYS A 131 7.999 -9.818 12.896 1.00 43.01 C ATOM 2019 NZ LYS A 131 6.660 -10.413 12.491 1.00 42.85 N ATOM 2020 HA LYS A 131 8.572 -8.363 7.784 1.00 0.00 H ATOM 2021 HB2 LYS A 131 8.753 -9.453 10.119 1.00 0.00 H ATOM 2022 HB3 LYS A 131 9.305 -7.771 9.950 1.00 0.00 H ATOM 2023 HG2 LYS A 131 7.348 -6.939 11.023 1.00 0.00 H ATOM 2024 HG3 LYS A 131 6.578 -8.543 10.992 1.00 0.00 H ATOM 2025 HD2 LYS A 131 9.162 -8.035 12.521 1.00 0.00 H ATOM 2026 HD3 LYS A 131 7.567 -7.729 13.247 1.00 0.00 H ATOM 2027 HE2 LYS A 131 8.114 -9.913 13.976 1.00 0.00 H ATOM 2028 HE3 LYS A 131 8.795 -10.370 12.397 1.00 0.00 H ATOM 2029 HZ1 LYS A 131 5.894 -9.896 12.968 1.00 0.00 H ATOM 2030 HZ2 LYS A 131 6.544 -10.333 11.461 1.00 0.00 H ATOM 2031 HZ3 LYS A 131 6.629 -11.415 12.768 1.00 0.00 H ATOM 2032 H LYS A 131 6.204 -6.979 9.097 1.00 0.00 H ATOM 2033 N LYS A 132 7.405 -10.680 7.725 1.00 29.81 N ATOM 2034 CA LYS A 132 6.548 -11.864 7.526 1.00 33.33 C ATOM 2035 C LYS A 132 6.056 -12.422 8.833 1.00 34.39 C ATOM 2036 O LYS A 132 6.847 -12.504 9.768 1.00 35.55 O ATOM 2037 CB LYS A 132 7.242 -12.996 6.733 1.00 33.66 C ATOM 2038 CG LYS A 132 7.271 -12.767 5.252 1.00 35.60 C ATOM 2039 CD LYS A 132 7.476 -14.101 4.502 1.00 38.38 C ATOM 2040 CE LYS A 132 7.272 -13.970 3.017 1.00 39.27 C ATOM 2041 NZ LYS A 132 7.734 -15.227 2.341 1.00 40.18 N ATOM 2042 HA LYS A 132 5.705 -11.504 6.937 1.00 0.00 H ATOM 2043 HB2 LYS A 132 8.269 -13.085 7.088 1.00 0.00 H ATOM 2044 HB3 LYS A 132 6.710 -13.928 6.927 1.00 0.00 H ATOM 2045 HG2 LYS A 132 6.327 -12.321 4.939 1.00 0.00 H ATOM 2046 HG3 LYS A 132 8.090 -12.089 5.010 1.00 0.00 H ATOM 2047 HD2 LYS A 132 8.492 -14.452 4.685 1.00 0.00 H ATOM 2048 HD3 LYS A 132 6.765 -14.832 4.889 1.00 0.00 H ATOM 2049 HE2 LYS A 132 7.847 -13.123 2.643 1.00 0.00 H ATOM 2050 HE3 LYS A 132 6.214 -13.811 2.807 1.00 0.00 H ATOM 2051 HZ1 LYS A 132 8.743 -15.377 2.543 1.00 0.00 H ATOM 2052 HZ2 LYS A 132 7.184 -16.034 2.699 1.00 0.00 H ATOM 2053 HZ3 LYS A 132 7.594 -15.139 1.314 1.00 0.00 H ATOM 2054 H LYS A 132 8.402 -10.695 7.429 1.00 0.00 H ATOM 2055 N LYS A 133 4.777 -12.804 8.898 1.00 36.57 N ATOM 2056 CA LYS A 133 4.191 -13.455 10.089 1.00 39.51 C ATOM 2057 C LYS A 133 4.901 -14.773 10.394 1.00 40.96 C ATOM 2058 O LYS A 133 5.045 -15.611 9.497 1.00 42.61 O ATOM 2059 CB LYS A 133 2.672 -13.726 9.946 1.00 40.21 C ATOM 2060 CG LYS A 133 1.755 -12.641 10.560 1.00 43.36 C ATOM 2061 CD LYS A 133 0.447 -13.213 11.197 1.00 46.83 C ATOM 2062 CE LYS A 133 0.725 -14.075 12.463 1.00 49.40 C ATOM 2063 NZ LYS A 133 1.461 -13.326 13.527 1.00 51.59 N ATOM 2064 HA LYS A 133 4.331 -12.752 10.910 1.00 0.00 H ATOM 2065 HB2 LYS A 133 2.440 -13.804 8.884 1.00 0.00 H ATOM 2066 HB3 LYS A 133 2.450 -14.674 10.435 1.00 0.00 H ATOM 2067 HG2 LYS A 133 2.314 -12.115 11.334 1.00 0.00 H ATOM 2068 HG3 LYS A 133 1.477 -11.939 9.774 1.00 0.00 H ATOM 2069 HD2 LYS A 133 -0.199 -12.380 11.476 1.00 0.00 H ATOM 2070 HD3 LYS A 133 -0.060 -13.832 10.457 1.00 0.00 H ATOM 2071 HE2 LYS A 133 1.320 -14.940 12.171 1.00 0.00 H ATOM 2072 HE3 LYS A 133 -0.228 -14.412 12.871 1.00 0.00 H ATOM 2073 HZ1 LYS A 133 2.377 -13.006 13.153 1.00 0.00 H ATOM 2074 HZ2 LYS A 133 0.899 -12.502 13.821 1.00 0.00 H ATOM 2075 HZ3 LYS A 133 1.617 -13.950 14.344 1.00 0.00 H ATOM 2076 H LYS A 133 4.166 -12.636 8.073 1.00 0.00 H TER 2077 LYS A 133 HETATM 2078 O HOH 1 12.922 -2.483 -14.494 1.00 31.73 O HETATM 2079 O HOH 2 -4.937 11.015 -8.177 1.00 27.25 O HETATM 2080 O HOH 3 -13.433 11.417 -8.345 1.00 30.48 O HETATM 2081 O HOH 4 5.170 -12.782 -9.877 1.00 39.87 O HETATM 2082 O HOH 5 14.138 -0.158 8.501 1.00 45.21 O HETATM 2083 O HOH 6 6.205 -8.744 -15.098 1.00 49.36 O HETATM 2084 O HOH 7 -4.045 7.764 -20.359 1.00 49.17 O HETATM 2085 O HOH 8 6.181 6.400 -3.080 1.00 35.45 O HETATM 2086 O HOH 9 -1.230 16.447 4.972 1.00 34.94 O HETATM 2087 O HOH 10 -3.458 -6.805 11.835 1.00 32.93 O HETATM 2088 O HOH 11 -1.004 2.363 12.304 1.00 42.66 O HETATM 2089 O HOH 12 4.981 -9.476 -11.808 1.00 36.41 O HETATM 2090 O HOH 13 12.009 -11.113 2.679 1.00 40.72 O HETATM 2091 O HOH 14 -4.021 3.202 -2.147 1.00 44.70 O HETATM 2092 O HOH 15 16.366 -0.915 4.125 1.00 42.90 O HETATM 2093 O HOH 16 -4.834 5.750 -1.757 1.00 36.45 O HETATM 2094 O HOH 17 -8.602 -3.207 -16.303 1.00 36.60 O HETATM 2095 O HOH 18 -2.877 5.140 -14.969 1.00 41.22 O HETATM 2096 O HOH 19 -2.228 11.538 14.572 1.00 45.18 O HETATM 2097 O HOH 20 10.387 12.595 4.854 1.00 51.08 O HETATM 2098 O HOH 21 10.879 -16.139 -4.111 1.00 40.58 O HETATM 2099 O HOH 22 -7.268 11.282 -6.598 1.00 23.17 O HETATM 2100 O HOH 23 17.624 -3.966 0.416 1.00 40.92 O HETATM 2101 O HOH 24 -9.496 11.479 -8.449 1.00 26.73 O HETATM 2102 O HOH 25 -1.883 -2.298 -13.065 1.00 22.64 O HETATM 2103 O HOH 26 0.873 9.420 11.471 1.00 37.11 O HETATM 2104 O HOH 27 -10.249 16.798 4.483 1.00 32.42 O HETATM 2105 O HOH 28 -5.298 -10.306 -9.636 1.00 31.27 O HETATM 2106 O HOH 29 -2.929 12.273 -10.409 1.00 38.08 O HETATM 2107 O HOH 30 14.626 -8.541 8.088 1.00 50.16 O HETATM 2108 O HOH 31 3.914 6.342 -7.499 1.00 26.56 O HETATM 2109 O HOH 32 3.096 2.466 -12.556 1.00 25.22 O HETATM 2110 O HOH 33 -5.414 -3.727 14.154 1.00 28.50 O HETATM 2111 O HOH 34 -2.480 1.788 10.787 1.00 33.58 O HETATM 2112 O HOH 35 -10.996 -0.302 -15.830 1.00 43.36 O HETATM 2113 O HOH 36 -1.781 6.332 -2.599 1.00 28.71 O HETATM 2114 O HOH 37 -5.032 -4.732 -13.428 1.00 23.91 O HETATM 2115 O HOH 38 -12.339 5.386 -12.272 1.00 43.75 O HETATM 2116 O HOH 39 15.296 -6.201 7.031 1.00 59.19 O HETATM 2117 O HOH 40 10.271 -6.216 -4.197 1.00 24.84 O HETATM 2118 O HOH 41 3.048 4.434 -14.510 1.00 41.57 O HETATM 2119 O HOH 42 -8.107 -9.262 -2.555 1.00 41.63 O HETATM 2120 O HOH 43 4.498 7.067 -4.884 1.00 28.48 O HETATM 2121 O HOH 44 8.222 2.967 9.101 1.00 31.88 O HETATM 2122 O HOH 45 0.545 5.783 -15.094 1.00 37.60 O HETATM 2123 O HOH 46 3.603 -16.141 7.522 1.00 43.59 O HETATM 2124 O HOH 47 -1.743 5.614 -13.749 1.00 36.21 O HETATM 2125 O HOH 48 -1.171 10.596 -9.200 1.00 26.80 O HETATM 2126 O HOH 49 14.525 -7.196 -3.273 1.00 40.54 O HETATM 2127 O HOH 50 -2.664 -13.789 -7.475 1.00 35.43 O HETATM 2128 O HOH 51 -5.846 18.231 -0.084 1.00 51.14 O HETATM 2129 O HOH 52 0.941 13.970 -10.127 1.00 40.90 O HETATM 2130 O HOH 53 -15.162 2.768 -11.062 1.00 44.40 O HETATM 2131 O HOH 54 -1.006 -0.297 4.182 1.00 36.79 O HETATM 2132 O HOH 55 1.739 -13.727 -15.305 1.00 45.66 O HETATM 2133 O HOH 56 -11.681 12.980 -8.049 1.00 34.09 O HETATM 2134 O HOH 57 2.584 -10.342 13.310 1.00 46.33 O HETATM 2135 O HOH 58 7.609 1.286 -14.110 1.00 32.44 O HETATM 2136 O HOH 59 2.481 8.887 -7.981 1.00 37.29 O HETATM 2137 O HOH 60 -2.014 2.034 5.118 1.00 41.36 O HETATM 2138 O HOH 61 -5.063 7.640 17.582 1.00 39.28 O HETATM 2139 O HOH 62 -17.897 4.280 2.798 1.00 49.37 O HETATM 2140 O HOH 63 -6.189 -8.589 -11.774 1.00 41.06 O HETATM 2141 O HOH 64 -7.866 -4.758 -11.842 1.00 46.30 O HETATM 2142 O HOH 65 7.928 10.603 5.512 1.00 48.01 O HETATM 2143 O HOH 66 -4.883 -4.371 0.461 1.00 36.02 O HETATM 2144 O HOH 67 -15.014 12.466 11.788 1.00 48.37 O HETATM 2145 O HOH 68 12.798 -8.616 -15.987 1.00 43.52 O HETATM 2146 O HOH 69 -5.203 -10.664 8.412 1.00 48.98 O HETATM 2147 O HOH 70 -4.120 -13.131 7.865 1.00 46.16 O HETATM 2148 O HOH 71 0.454 5.472 16.149 1.00 45.81 O HETATM 2149 O HOH 72 8.593 -12.283 -0.086 1.00 41.33 O HETATM 2150 O HOH 73 1.957 -16.875 9.375 1.00 48.88 O HETATM 2151 O HOH 74 11.894 -13.170 -7.634 1.00 41.33 O HETATM 2152 C1 RET A 75 -7.105 1.313 5.406 1.00 -0.10 C HETATM 2153 C2 RET A 75 -8.372 1.682 6.158 1.00 -0.10 C HETATM 2154 C3 RET A 75 -8.053 2.755 7.185 1.00 -0.04 C HETATM 2155 C4 RET A 75 -7.652 4.042 6.479 1.00 0.04 C HETATM 2156 C5 RET A 75 -6.696 3.779 5.336 1.00 0.02 C HETATM 2157 C6 RET A 75 -6.452 2.557 4.854 1.00 -0.06 C HETATM 2158 C7 RET A 75 -5.501 2.417 3.736 1.00 -0.07 C HETATM 2159 C8 RET A 75 -5.646 1.428 2.859 1.00 -0.06 C HETATM 2160 C9 RET A 75 -4.695 1.288 1.741 1.00 -0.05 C HETATM 2161 C10 RET A 75 -3.969 0.168 1.615 1.00 -0.07 C HETATM 2162 C11 RET A 75 -3.027 0.029 0.508 1.00 -0.08 C HETATM 2163 C12 RET A 75 -2.337 -1.098 0.359 1.00 -0.08 C HETATM 2164 C13 RET A 75 -1.385 -1.238 -0.759 1.00 -0.06 C HETATM 2165 C14 RET A 75 -0.642 -2.347 -0.871 1.00 -0.08 C HETATM 2166 C15 RET A 75 0.300 -2.485 -1.979 1.00 -0.04 C HETATM 2167 H RET A 75 -0.242 -2.433 -2.923 1.00 0.04 H HETATM 2168 H RET A 75 1.032 -1.679 -1.934 1.00 0.04 H HETATM 2169 H RET A 75 0.810 -3.446 -1.903 1.00 0.04 H HETATM 2170 H RET A 75 -0.740 -3.146 -0.136 1.00 0.06 H HETATM 2171 C20 RET A 75 -1.250 -0.139 -1.771 1.00 -0.04 C HETATM 2172 H RET A 75 -0.224 0.229 -1.771 1.00 0.04 H HETATM 2173 H RET A 75 -1.499 -0.525 -2.760 1.00 0.04 H HETATM 2174 H RET A 75 -1.929 0.674 -1.515 1.00 0.04 H HETATM 2175 H RET A 75 -2.475 -1.919 1.063 1.00 0.05 H HETATM 2176 H RET A 75 -2.889 0.849 -0.197 1.00 0.05 H HETATM 2177 H RET A 75 -4.082 -0.639 2.339 1.00 0.05 H HETATM 2178 C19 RET A 75 -4.539 2.398 0.744 1.00 -0.03 C HETATM 2179 H RET A 75 -3.507 2.749 0.752 1.00 0.04 H HETATM 2180 H RET A 75 -4.791 2.030 -0.250 1.00 0.04 H HETATM 2181 H RET A 75 -5.206 3.219 1.009 1.00 0.04 H HETATM 2182 H RET A 75 -6.468 0.721 2.967 1.00 0.06 H HETATM 2183 H RET A 75 -4.679 3.124 3.628 1.00 0.06 H HETATM 2184 C18 RET A 75 -5.991 4.947 4.712 1.00 0.03 C HETATM 2185 H RET A 75 -4.914 4.816 4.814 1.00 0.07 H HETATM 2186 H RET A 75 -6.253 5.006 3.656 1.00 0.07 H HETATM 2187 H RET A 75 -6.296 5.865 5.215 1.00 0.07 H HETATM 2188 H RET A 75 -7.154 4.689 7.201 1.00 0.07 H HETATM 2189 H RET A 75 -8.551 4.506 6.074 1.00 0.07 H HETATM 2190 H RET A 75 -7.229 2.418 7.814 1.00 0.03 H HETATM 2191 H RET A 75 -8.935 2.940 7.798 1.00 0.03 H HETATM 2192 H RET A 75 -8.766 0.800 6.663 1.00 0.01 H HETATM 2193 H RET A 75 -9.116 2.059 5.456 1.00 0.01 H HETATM 2194 C16 RET A 75 -7.435 0.383 4.246 1.00 -0.12 C HETATM 2195 H RET A 75 -6.521 0.144 3.703 1.00 0.00 H HETATM 2196 H RET A 75 -7.880 -0.534 4.632 1.00 0.00 H HETATM 2197 H RET A 75 -8.139 0.876 3.576 1.00 0.00 H HETATM 2198 C17 RET A 75 -6.120 0.634 6.351 1.00 -0.12 C HETATM 2199 H RET A 75 -6.564 -0.283 6.739 1.00 0.00 H HETATM 2200 H RET A 75 -5.205 0.395 5.809 1.00 0.00 H HETATM 2201 H RET A 75 -5.889 1.306 7.178 1.00 0.00 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 2152 2153 2157 2194 2198 CONECT 2153 2152 2154 2192 2193 CONECT 2154 2153 2155 2190 2191 CONECT 2155 2154 2156 2188 2189 CONECT 2156 2155 2157 2184 CONECT 2157 2152 2156 2158 CONECT 2158 2157 2159 2183 CONECT 2159 2158 2160 2182 CONECT 2160 2159 2161 2178 CONECT 2161 2160 2162 2177 CONECT 2162 2161 2163 2176 CONECT 2163 2162 2164 2175 CONECT 2164 2163 2165 2171 CONECT 2165 2164 2166 2170 CONECT 2166 2165 2167 2168 2169 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2166 CONECT 2170 2165 CONECT 2171 2164 2172 2173 2174 CONECT 2172 2171 CONECT 2173 2171 CONECT 2174 2171 CONECT 2175 2163 CONECT 2176 2162 CONECT 2177 2161 CONECT 2178 2160 2179 2180 2181 CONECT 2179 2178 CONECT 2180 2178 CONECT 2181 2178 CONECT 2182 2159 CONECT 2183 2158 CONECT 2184 2156 2185 2186 2187 CONECT 2185 2184 CONECT 2186 2184 CONECT 2187 2184 CONECT 2188 2155 CONECT 2189 2155 CONECT 2190 2154 CONECT 2191 2154 CONECT 2192 2153 CONECT 2193 2153 CONECT 2194 2152 2195 2196 2197 CONECT 2195 2194 CONECT 2196 2194 CONECT 2197 2194 CONECT 2198 2152 2199 2200 2201 CONECT 2199 2198 CONECT 2200 2198 CONECT 2201 2198 MASTER 0 0 0 0 0 0 0 0 2200 1 54 11 END
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Related entries of code: 4exz
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
133aa, >4EDE_1|Chains... *
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PDBbind
133aa, >4EEJ_1|Chains... at 98%
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RCSB PDB
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133aa, >4EFG_1|Chains... at 99%
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PDBbind
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PDBbind
133aa, >6E7M_1|Chains... at 93%
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RCSB PDB
PDBbind
133aa, >6E5S_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2g79
RCSB PDB
PDBbind
RET
3hx3
RCSB PDB
PDBbind
RET
3hy5
RCSB PDB
PDBbind
RET
4ciz
RCSB PDB
PDBbind
RET
4ede
RCSB PDB
PDBbind
RET
4eej
RCSB PDB
PDBbind
RET
4efg
RCSB PDB
PDBbind
RET
4gkc
RCSB PDB
PDBbind
RET
4i9r
RCSB PDB
PDBbind
RET
4i9s
RCSB PDB
PDBbind
RET
4ruu
RCSB PDB
PDBbind
RET
6e7m
RCSB PDB
PDBbind
RET
6e5s
RCSB PDB
PDBbind
RET
Entry Information
PDB ID
4exz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinol-binding protein 2
Ligand Name
RET
EC.Number
E.C.-.-.-.-
Resolution
1.61(Å)
Affinity (Kd/Ki/IC50)
Kd=29nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Science Vol. 338: pp. 1340-1343
Ligand Properties
Formula
C
2
0
H
3
0
Molecular Weight
270.452
Exact Mass
270.235
No. of atoms
50
No. of bonds
50
Polar Surface Area
0
LOGP Value
6.99 (
Computed with XLOGP3
)
6.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InChI String
InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
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):
P50120
Entrez Gene ID
NCBI Entrez Gene ID:
5948
ASD
Information of known allosteric effects of PDB entries
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