Browse entries in the PDBbind-CN Database
HEADER 3EKW_COMPLEX COMPND 3EKW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO ILE VAL THR ILE SEQRES 2 A 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY LYS TRP LYS PRO LYS MET ILE VAL GLY ILE GLY GLY SEQRES 5 A 99 PHE VAL LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO ALA ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO ILE VAL THR ILE SEQRES 2 B 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY LYS TRP LYS PRO LYS MET ILE VAL GLY ILE GLY GLY SEQRES 5 B 99 PHE VAL LYS VAL ARG GLN TYR ASP GLN ILE PRO ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO ALA ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET DR A 7 104 ATOM 1 N PRO A 1 28.537 7.193 -2.839 1.00 32.07 N ATOM 2 CA PRO A 1 27.552 6.335 -3.485 1.00 31.65 C ATOM 3 C PRO A 1 26.143 6.533 -2.942 1.00 31.46 C ATOM 4 O PRO A 1 25.959 7.205 -1.926 1.00 30.72 O ATOM 5 CB PRO A 1 28.042 4.927 -3.142 1.00 31.95 C ATOM 6 CG PRO A 1 28.792 5.095 -1.864 1.00 32.51 C ATOM 7 CD PRO A 1 29.479 6.419 -2.014 1.00 32.40 C ATOM 8 HA PRO A 1 27.478 6.545 -4.552 1.00 0.00 H ATOM 9 HD3 PRO A 1 29.631 6.893 -1.044 1.00 0.00 H ATOM 10 HD2 PRO A 1 30.439 6.307 -2.517 1.00 0.00 H ATOM 11 HG3 PRO A 1 29.520 4.294 -1.734 1.00 0.00 H ATOM 12 HG2 PRO A 1 28.110 5.107 -1.014 1.00 0.00 H ATOM 13 HB2 PRO A 1 27.200 4.247 -3.009 1.00 0.00 H ATOM 14 HB3 PRO A 1 28.696 4.544 -3.926 1.00 0.00 H ATOM 15 N GLN A 2 25.172 5.948 -3.637 1.00 30.85 N ATOM 16 CA GLN A 2 23.816 5.817 -3.124 1.00 30.71 C ATOM 17 C GLN A 2 23.638 4.355 -2.738 1.00 30.34 C ATOM 18 O GLN A 2 23.963 3.459 -3.522 1.00 31.08 O ATOM 19 CB GLN A 2 22.779 6.216 -4.174 1.00 30.94 C ATOM 20 CG GLN A 2 21.343 6.101 -3.678 1.00 31.06 C ATOM 21 CD GLN A 2 20.343 6.800 -4.580 1.00 32.12 C ATOM 22 OE1 GLN A 2 19.950 7.940 -4.325 1.00 35.11 O ATOM 23 NE2 GLN A 2 19.927 6.119 -5.643 1.00 33.46 N ATOM 24 HA GLN A 2 23.668 6.479 -2.271 1.00 0.00 H ATOM 25 HB2 GLN A 2 22.962 7.250 -4.466 1.00 0.00 H ATOM 26 HB3 GLN A 2 22.898 5.568 -5.042 1.00 0.00 H ATOM 27 HG2 GLN A 2 21.079 5.045 -3.620 1.00 0.00 H ATOM 28 HG3 GLN A 2 21.283 6.544 -2.684 1.00 0.00 H ATOM 29 HE22 GLN A 2 20.286 5.159 -5.819 1.00 0.00 H ATOM 30 HE21 GLN A 2 19.243 6.546 -6.299 1.00 0.00 H ATOM 31 H GLN A 2 25.389 5.570 -4.581 1.00 0.00 H ATOM 32 N ILE A 3 23.128 4.126 -1.532 1.00 29.24 N ATOM 33 CA ILE A 3 22.956 2.779 -1.007 1.00 28.93 C ATOM 34 C ILE A 3 21.482 2.562 -0.698 1.00 27.75 C ATOM 35 O ILE A 3 20.881 3.293 0.091 1.00 27.22 O ATOM 36 CB ILE A 3 23.830 2.547 0.242 1.00 28.80 C ATOM 37 CG1 ILE A 3 25.307 2.673 -0.145 1.00 30.28 C ATOM 38 CG2 ILE A 3 23.545 1.175 0.853 1.00 29.81 C ATOM 39 CD1 ILE A 3 26.247 2.698 1.027 1.00 30.19 C ATOM 40 HA ILE A 3 23.281 2.055 -1.754 1.00 0.00 H ATOM 41 HB ILE A 3 23.591 3.300 0.993 1.00 0.00 H ATOM 42 HG12 ILE A 3 25.569 1.825 -0.777 1.00 0.00 H ATOM 43 HG13 ILE A 3 25.436 3.597 -0.708 1.00 0.00 H ATOM 44 HD11 ILE A 3 26.008 3.549 1.665 1.00 0.00 H ATOM 45 HD12 ILE A 3 26.141 1.774 1.596 1.00 0.00 H ATOM 46 HD13 ILE A 3 27.272 2.789 0.667 1.00 0.00 H ATOM 47 HG21 ILE A 3 22.495 1.118 1.141 1.00 0.00 H ATOM 48 HG22 ILE A 3 23.765 0.399 0.119 1.00 0.00 H ATOM 49 HG23 ILE A 3 24.173 1.033 1.733 1.00 0.00 H ATOM 50 H ILE A 3 22.843 4.935 -0.944 1.00 0.00 H ATOM 51 N THR A 4 20.904 1.549 -1.335 1.00 27.36 N ATOM 52 CA THR A 4 19.511 1.183 -1.112 1.00 26.96 C ATOM 53 C THR A 4 19.423 0.249 0.093 1.00 26.55 C ATOM 54 O THR A 4 20.447 -0.169 0.634 1.00 26.84 O ATOM 55 CB THR A 4 18.923 0.496 -2.347 1.00 27.65 C ATOM 56 OG1 THR A 4 19.701 -0.666 -2.656 1.00 27.03 O ATOM 57 CG2 THR A 4 18.932 1.460 -3.532 1.00 28.02 C ATOM 58 HA THR A 4 18.936 2.089 -0.921 1.00 0.00 H ATOM 59 HB THR A 4 17.894 0.200 -2.143 1.00 0.00 H ATOM 60 HG1 THR A 4 19.680 -1.290 -1.887 1.00 0.00 H ATOM 61 HG23 THR A 4 18.338 2.340 -3.287 1.00 0.00 H ATOM 62 HG21 THR A 4 19.958 1.761 -3.746 1.00 0.00 H ATOM 63 HG22 THR A 4 18.507 0.965 -4.405 1.00 0.00 H ATOM 64 H THR A 4 21.465 0.998 -2.016 1.00 0.00 H ATOM 65 N LEU A 5 18.202 -0.073 0.508 1.00 25.42 N ATOM 66 CA LEU A 5 17.983 -0.747 1.784 1.00 24.59 C ATOM 67 C LEU A 5 17.232 -2.077 1.671 1.00 23.87 C ATOM 68 O LEU A 5 16.712 -2.581 2.660 1.00 23.83 O ATOM 69 CB LEU A 5 17.274 0.222 2.743 1.00 24.65 C ATOM 70 CG LEU A 5 18.121 1.460 3.072 1.00 24.46 C ATOM 71 CD1 LEU A 5 17.329 2.533 3.801 1.00 23.65 C ATOM 72 CD2 LEU A 5 19.347 1.066 3.866 1.00 23.23 C ATOM 73 HA LEU A 5 18.961 -1.020 2.179 1.00 0.00 H ATOM 74 HB2 LEU A 5 16.342 0.550 2.282 1.00 0.00 H ATOM 75 HB3 LEU A 5 17.053 -0.305 3.671 1.00 0.00 H ATOM 76 HG LEU A 5 18.436 1.893 2.123 1.00 0.00 H ATOM 77 HD21 LEU A 5 19.038 0.590 4.796 1.00 0.00 H ATOM 78 HD22 LEU A 5 19.948 0.369 3.282 1.00 0.00 H ATOM 79 HD23 LEU A 5 19.935 1.956 4.090 1.00 0.00 H ATOM 80 HD11 LEU A 5 16.495 2.854 3.177 1.00 0.00 H ATOM 81 HD12 LEU A 5 16.949 2.128 4.739 1.00 0.00 H ATOM 82 HD13 LEU A 5 17.978 3.384 4.008 1.00 0.00 H ATOM 83 H LEU A 5 17.384 0.161 -0.090 1.00 0.00 H ATOM 84 N TRP A 6 17.165 -2.662 0.478 1.00 23.56 N ATOM 85 CA TRP A 6 16.563 -3.988 0.355 1.00 23.50 C ATOM 86 C TRP A 6 17.421 -5.092 0.977 1.00 23.07 C ATOM 87 O TRP A 6 16.912 -6.175 1.276 1.00 23.05 O ATOM 88 CB TRP A 6 16.196 -4.306 -1.099 1.00 23.89 C ATOM 89 CG TRP A 6 14.837 -3.773 -1.462 1.00 24.62 C ATOM 90 CD1 TRP A 6 13.629 -4.354 -1.189 1.00 24.89 C ATOM 91 CD2 TRP A 6 14.547 -2.550 -2.149 1.00 24.19 C ATOM 92 NE1 TRP A 6 12.607 -3.570 -1.669 1.00 24.98 N ATOM 93 CE2 TRP A 6 13.144 -2.457 -2.262 1.00 24.57 C ATOM 94 CE3 TRP A 6 15.337 -1.526 -2.682 1.00 24.92 C ATOM 95 CZ2 TRP A 6 12.515 -1.380 -2.884 1.00 24.37 C ATOM 96 CZ3 TRP A 6 14.710 -0.457 -3.298 1.00 25.00 C ATOM 97 CH2 TRP A 6 13.312 -0.393 -3.396 1.00 24.57 C ATOM 98 HA TRP A 6 15.639 -3.961 0.932 1.00 0.00 H ATOM 99 HB2 TRP A 6 16.939 -3.856 -1.757 1.00 0.00 H ATOM 100 HB3 TRP A 6 16.199 -5.387 -1.235 1.00 0.00 H ATOM 101 HE1 TRP A 6 11.592 -3.786 -1.594 1.00 0.00 H ATOM 102 HD1 TRP A 6 13.496 -5.301 -0.667 1.00 0.00 H ATOM 103 HZ2 TRP A 6 11.429 -1.326 -2.960 1.00 0.00 H ATOM 104 HH2 TRP A 6 12.851 0.462 -3.891 1.00 0.00 H ATOM 105 HZ3 TRP A 6 15.313 0.350 -3.714 1.00 0.00 H ATOM 106 HE3 TRP A 6 16.424 -1.569 -2.614 1.00 0.00 H ATOM 107 H TRP A 6 17.539 -2.178 -0.363 1.00 0.00 H ATOM 108 N LYS A 7 18.715 -4.826 1.146 1.00 22.42 N ATOM 109 CA LYS A 7 19.585 -5.649 1.977 1.00 22.51 C ATOM 110 C LYS A 7 20.258 -4.741 3.002 1.00 22.53 C ATOM 111 O LYS A 7 20.216 -3.509 2.895 1.00 22.27 O ATOM 112 CB LYS A 7 20.643 -6.329 1.147 1.00 22.50 C ATOM 113 HA LYS A 7 18.990 -6.420 2.466 1.00 0.00 H ATOM 114 HB2 LYS A 7 20.165 -6.966 0.403 1.00 0.00 H ATOM 115 HB3 LYS A 7 21.250 -5.575 0.646 1.00 0.00 H ATOM 116 H LYS A 7 19.121 -3.998 0.666 1.00 0.00 H ATOM 117 N ARG A 8 20.875 -5.358 4.002 1.00 22.19 N ATOM 118 CA ARG A 8 21.592 -4.595 5.018 1.00 22.04 C ATOM 119 C ARG A 8 22.662 -3.755 4.325 1.00 22.04 C ATOM 120 O ARG A 8 23.374 -4.289 3.461 1.00 21.80 O ATOM 121 CB ARG A 8 22.217 -5.537 6.050 1.00 22.31 C ATOM 122 CG ARG A 8 21.189 -6.272 6.904 1.00 22.07 C ATOM 123 CD ARG A 8 21.858 -7.282 7.811 1.00 22.47 C ATOM 124 NE ARG A 8 20.898 -7.968 8.673 1.00 21.54 N ATOM 125 CZ ARG A 8 21.139 -9.099 9.331 1.00 23.30 C ATOM 126 NH1 ARG A 8 22.311 -9.714 9.236 1.00 26.17 N ATOM 127 NH2 ARG A 8 20.187 -9.639 10.080 1.00 22.86 N ATOM 128 HA ARG A 8 20.903 -3.939 5.549 1.00 0.00 H ATOM 129 HB2 ARG A 8 22.820 -6.276 5.522 1.00 0.00 H ATOM 130 HB3 ARG A 8 22.858 -4.951 6.709 1.00 0.00 H ATOM 131 HG2 ARG A 8 20.649 -5.548 7.514 1.00 0.00 H ATOM 132 HG3 ARG A 8 20.487 -6.790 6.250 1.00 0.00 H ATOM 133 HD2 ARG A 8 22.586 -6.765 8.437 1.00 0.00 H ATOM 134 HD3 ARG A 8 22.370 -8.022 7.196 1.00 0.00 H ATOM 135 HE ARG A 8 19.956 -7.540 8.780 1.00 0.00 H ATOM 136 HH12 ARG A 8 22.479 -10.597 9.759 1.00 0.00 H ATOM 137 HH11 ARG A 8 23.062 -9.313 8.639 1.00 0.00 H ATOM 138 HH22 ARG A 8 20.370 -10.523 10.596 1.00 0.00 H ATOM 139 HH21 ARG A 8 19.257 -9.178 10.151 1.00 0.00 H ATOM 140 H ARG A 8 20.847 -6.396 4.062 1.00 0.00 H ATOM 141 N PRO A 9 22.766 -2.457 4.681 1.00 22.21 N ATOM 142 CA PRO A 9 23.779 -1.575 4.107 1.00 22.37 C ATOM 143 C PRO A 9 25.146 -1.829 4.725 1.00 22.32 C ATOM 144 O PRO A 9 25.647 -1.020 5.508 1.00 22.13 O ATOM 145 CB PRO A 9 23.233 -0.175 4.414 1.00 22.10 C ATOM 146 CG PRO A 9 22.521 -0.343 5.684 1.00 22.49 C ATOM 147 CD PRO A 9 21.898 -1.716 5.616 1.00 22.31 C ATOM 148 HA PRO A 9 23.940 -1.727 3.040 1.00 0.00 H ATOM 149 HD3 PRO A 9 21.894 -2.189 6.598 1.00 0.00 H ATOM 150 HD2 PRO A 9 20.878 -1.660 5.236 1.00 0.00 H ATOM 151 HG3 PRO A 9 21.751 0.421 5.794 1.00 0.00 H ATOM 152 HG2 PRO A 9 23.215 -0.280 6.522 1.00 0.00 H ATOM 153 HB2 PRO A 9 24.046 0.544 4.517 1.00 0.00 H ATOM 154 HB3 PRO A 9 22.553 0.157 3.629 1.00 0.00 H ATOM 155 N ILE A 10 25.725 -2.958 4.327 1.00 22.32 N ATOM 156 CA ILE A 10 27.036 -3.413 4.766 1.00 23.20 C ATOM 157 C ILE A 10 28.067 -2.872 3.786 1.00 23.59 C ATOM 158 O ILE A 10 27.877 -2.944 2.568 1.00 23.73 O ATOM 159 CB ILE A 10 27.115 -4.957 4.764 1.00 23.03 C ATOM 160 CG1 ILE A 10 25.999 -5.562 5.622 1.00 23.42 C ATOM 161 CG2 ILE A 10 28.493 -5.436 5.225 1.00 23.13 C ATOM 162 CD1 ILE A 10 26.007 -5.118 7.066 1.00 24.50 C ATOM 163 HA ILE A 10 27.220 -3.059 5.780 1.00 0.00 H ATOM 164 HB ILE A 10 26.971 -5.302 3.740 1.00 0.00 H ATOM 165 HG12 ILE A 10 25.042 -5.279 5.184 1.00 0.00 H ATOM 166 HG13 ILE A 10 26.102 -6.647 5.599 1.00 0.00 H ATOM 167 HD11 ILE A 10 26.952 -5.404 7.527 1.00 0.00 H ATOM 168 HD12 ILE A 10 25.891 -4.035 7.112 1.00 0.00 H ATOM 169 HD13 ILE A 10 25.183 -5.596 7.596 1.00 0.00 H ATOM 170 HG21 ILE A 10 29.256 -5.045 4.552 1.00 0.00 H ATOM 171 HG22 ILE A 10 28.681 -5.077 6.237 1.00 0.00 H ATOM 172 HG23 ILE A 10 28.520 -6.526 5.214 1.00 0.00 H ATOM 173 H ILE A 10 25.205 -3.558 3.655 1.00 0.00 H ATOM 174 N VAL A 11 29.150 -2.316 4.319 1.00 23.87 N ATOM 175 CA VAL A 11 30.239 -1.817 3.491 1.00 24.57 C ATOM 176 C VAL A 11 31.565 -2.238 4.100 1.00 24.72 C ATOM 177 O VAL A 11 31.646 -2.574 5.278 1.00 25.03 O ATOM 178 CB VAL A 11 30.213 -0.284 3.380 1.00 25.72 C ATOM 179 CG1 VAL A 11 28.907 0.183 2.771 1.00 26.05 C ATOM 180 CG2 VAL A 11 30.449 0.384 4.722 1.00 26.58 C ATOM 181 HA VAL A 11 30.118 -2.237 2.492 1.00 0.00 H ATOM 182 HB VAL A 11 31.031 0.011 2.723 1.00 0.00 H ATOM 183 HG11 VAL A 11 28.798 -0.246 1.775 1.00 0.00 H ATOM 184 HG12 VAL A 11 28.078 -0.141 3.400 1.00 0.00 H ATOM 185 HG13 VAL A 11 28.909 1.271 2.701 1.00 0.00 H ATOM 186 HG21 VAL A 11 29.670 0.078 5.421 1.00 0.00 H ATOM 187 HG22 VAL A 11 31.423 0.085 5.109 1.00 0.00 H ATOM 188 HG23 VAL A 11 30.422 1.467 4.597 1.00 0.00 H ATOM 189 H VAL A 11 29.222 -2.235 5.353 1.00 0.00 H ATOM 190 N THR A 12 32.614 -2.223 3.288 1.00 25.20 N ATOM 191 CA THR A 12 33.950 -2.502 3.789 1.00 25.45 C ATOM 192 C THR A 12 34.574 -1.255 4.409 1.00 25.87 C ATOM 193 O THR A 12 34.500 -0.160 3.848 1.00 26.12 O ATOM 194 CB THR A 12 34.869 -2.994 2.666 1.00 25.99 C ATOM 195 OG1 THR A 12 34.274 -4.123 2.016 1.00 24.42 O ATOM 196 CG2 THR A 12 36.235 -3.385 3.221 1.00 25.70 C ATOM 197 HA THR A 12 33.849 -3.279 4.547 1.00 0.00 H ATOM 198 HB THR A 12 35.003 -2.185 1.947 1.00 0.00 H ATOM 199 HG1 THR A 12 33.400 -3.859 1.634 1.00 0.00 H ATOM 200 HG23 THR A 12 36.685 -2.524 3.715 1.00 0.00 H ATOM 201 HG21 THR A 12 36.115 -4.196 3.939 1.00 0.00 H ATOM 202 HG22 THR A 12 36.877 -3.714 2.404 1.00 0.00 H ATOM 203 H THR A 12 32.479 -2.009 2.279 1.00 0.00 H ATOM 204 N ILE A 13 35.209 -1.448 5.559 1.00 25.78 N ATOM 205 CA ILE A 13 35.926 -0.382 6.231 1.00 26.09 C ATOM 206 C ILE A 13 37.373 -0.813 6.403 1.00 25.99 C ATOM 207 O ILE A 13 37.666 -2.008 6.404 1.00 25.27 O ATOM 208 CB ILE A 13 35.300 -0.033 7.598 1.00 26.36 C ATOM 209 CG1 ILE A 13 35.346 -1.234 8.547 1.00 27.52 C ATOM 210 CG2 ILE A 13 33.866 0.427 7.403 1.00 25.69 C ATOM 211 CD1 ILE A 13 35.072 -0.903 9.990 1.00 28.29 C ATOM 212 HA ILE A 13 35.867 0.520 5.622 1.00 0.00 H ATOM 213 HB ILE A 13 35.880 0.773 8.047 1.00 0.00 H ATOM 214 HG12 ILE A 13 34.601 -1.958 8.216 1.00 0.00 H ATOM 215 HG13 ILE A 13 36.338 -1.681 8.483 1.00 0.00 H ATOM 216 HD11 ILE A 13 35.816 -0.190 10.345 1.00 0.00 H ATOM 217 HD12 ILE A 13 34.077 -0.467 10.079 1.00 0.00 H ATOM 218 HD13 ILE A 13 35.126 -1.814 10.587 1.00 0.00 H ATOM 219 HG21 ILE A 13 33.853 1.309 6.763 1.00 0.00 H ATOM 220 HG22 ILE A 13 33.290 -0.371 6.935 1.00 0.00 H ATOM 221 HG23 ILE A 13 33.429 0.672 8.371 1.00 0.00 H ATOM 222 H ILE A 13 35.192 -2.394 5.991 1.00 0.00 H ATOM 223 N ARG A 14 38.251 0.169 6.560 1.00 26.30 N ATOM 224 CA ARG A 14 39.665 -0.071 6.807 1.00 26.34 C ATOM 225 C ARG A 14 40.049 0.699 8.068 1.00 25.53 C ATOM 226 O ARG A 14 39.820 1.904 8.169 1.00 24.25 O ATOM 227 CB ARG A 14 40.511 0.373 5.614 1.00 27.26 C ATOM 228 CG ARG A 14 41.963 -0.077 5.666 1.00 27.57 C ATOM 229 CD ARG A 14 42.580 0.117 4.289 1.00 29.37 C ATOM 230 NE ARG A 14 44.004 -0.212 4.222 1.00 31.39 N ATOM 231 CZ ARG A 14 45.016 0.629 4.434 1.00 32.12 C ATOM 232 NH1 ARG A 14 44.816 1.909 4.750 1.00 33.27 N ATOM 233 NH2 ARG A 14 46.259 0.176 4.327 1.00 31.43 N ATOM 234 HA ARG A 14 39.850 -1.136 6.945 1.00 0.00 H ATOM 235 HB2 ARG A 14 40.061 -0.033 4.708 1.00 0.00 H ATOM 236 HB3 ARG A 14 40.493 1.462 5.571 1.00 0.00 H ATOM 237 HG2 ARG A 14 42.506 0.518 6.400 1.00 0.00 H ATOM 238 HG3 ARG A 14 42.012 -1.129 5.946 1.00 0.00 H ATOM 239 HD2 ARG A 14 42.455 1.161 4.002 1.00 0.00 H ATOM 240 HD3 ARG A 14 42.048 -0.519 3.582 1.00 0.00 H ATOM 241 HE ARG A 14 44.250 -1.195 3.987 1.00 0.00 H ATOM 242 HH12 ARG A 14 45.628 2.538 4.909 1.00 0.00 H ATOM 243 HH11 ARG A 14 43.848 2.278 4.838 1.00 0.00 H ATOM 244 HH22 ARG A 14 47.062 0.817 4.489 1.00 0.00 H ATOM 245 HH21 ARG A 14 46.430 -0.820 4.081 1.00 0.00 H ATOM 246 H ARG A 14 37.915 1.152 6.504 1.00 0.00 H ATOM 247 N ILE A 15 40.633 -0.014 9.022 1.00 25.30 N ATOM 248 CA ILE A 15 40.999 0.543 10.315 1.00 25.68 C ATOM 249 C ILE A 15 42.290 -0.153 10.742 1.00 25.77 C ATOM 250 O ILE A 15 42.376 -1.386 10.724 1.00 25.75 O ATOM 251 CB ILE A 15 39.861 0.376 11.370 1.00 26.11 C ATOM 252 CG1 ILE A 15 40.303 0.921 12.727 1.00 26.44 C ATOM 253 CG2 ILE A 15 39.411 -1.089 11.482 1.00 26.99 C ATOM 254 CD1 ILE A 15 39.168 1.088 13.720 1.00 25.79 C ATOM 255 HA ILE A 15 41.153 1.619 10.239 1.00 0.00 H ATOM 256 HB ILE A 15 39.002 0.956 11.032 1.00 0.00 H ATOM 257 HG12 ILE A 15 41.034 0.233 13.152 1.00 0.00 H ATOM 258 HG13 ILE A 15 40.770 1.894 12.571 1.00 0.00 H ATOM 259 HD11 ILE A 15 38.433 1.783 13.316 1.00 0.00 H ATOM 260 HD12 ILE A 15 38.697 0.121 13.897 1.00 0.00 H ATOM 261 HD13 ILE A 15 39.562 1.479 14.658 1.00 0.00 H ATOM 262 HG21 ILE A 15 39.040 -1.429 10.515 1.00 0.00 H ATOM 263 HG22 ILE A 15 40.257 -1.706 11.785 1.00 0.00 H ATOM 264 HG23 ILE A 15 38.618 -1.168 12.225 1.00 0.00 H ATOM 265 H ILE A 15 40.839 -1.017 8.837 1.00 0.00 H ATOM 266 N GLY A 16 43.307 0.636 11.074 1.00 25.89 N ATOM 267 CA GLY A 16 44.605 0.081 11.449 1.00 26.26 C ATOM 268 C GLY A 16 45.204 -0.876 10.431 1.00 26.15 C ATOM 269 O GLY A 16 45.947 -1.789 10.794 1.00 26.07 O ATOM 270 HA3 GLY A 16 44.486 -0.455 12.391 1.00 0.00 H ATOM 271 HA2 GLY A 16 45.301 0.908 11.588 1.00 0.00 H ATOM 272 H GLY A 16 43.176 1.668 11.067 1.00 0.00 H ATOM 273 N GLY A 17 44.894 -0.668 9.154 1.00 26.01 N ATOM 274 CA GLY A 17 45.355 -1.557 8.091 1.00 26.34 C ATOM 275 C GLY A 17 44.565 -2.849 7.932 1.00 26.43 C ATOM 276 O GLY A 17 44.926 -3.693 7.107 1.00 27.57 O ATOM 277 HA3 GLY A 17 46.392 -1.820 8.298 1.00 0.00 H ATOM 278 HA2 GLY A 17 45.301 -1.011 7.149 1.00 0.00 H ATOM 279 H GLY A 17 44.306 0.153 8.905 1.00 0.00 H ATOM 280 N GLN A 18 43.511 -3.001 8.733 1.00 25.88 N ATOM 281 CA GLN A 18 42.663 -4.190 8.766 1.00 26.21 C ATOM 282 C GLN A 18 41.362 -3.877 8.045 1.00 25.64 C ATOM 283 O GLN A 18 40.779 -2.803 8.244 1.00 25.88 O ATOM 284 CB GLN A 18 42.316 -4.573 10.208 1.00 26.56 C ATOM 285 CG GLN A 18 43.485 -4.578 11.169 1.00 29.25 C ATOM 286 CD GLN A 18 44.626 -5.443 10.688 1.00 30.95 C ATOM 287 OE1 GLN A 18 44.468 -6.652 10.520 1.00 32.17 O ATOM 288 NE2 GLN A 18 45.792 -4.832 10.481 1.00 35.02 N ATOM 289 HA GLN A 18 43.199 -5.012 8.291 1.00 0.00 H ATOM 290 HB2 GLN A 18 41.577 -3.862 10.578 1.00 0.00 H ATOM 291 HB3 GLN A 18 41.883 -5.573 10.197 1.00 0.00 H ATOM 292 HG2 GLN A 18 43.846 -3.556 11.286 1.00 0.00 H ATOM 293 HG3 GLN A 18 43.143 -4.954 12.133 1.00 0.00 H ATOM 294 HE22 GLN A 18 45.877 -3.807 10.637 1.00 0.00 H ATOM 295 HE21 GLN A 18 46.617 -5.380 10.164 1.00 0.00 H ATOM 296 H GLN A 18 43.276 -2.220 9.378 1.00 0.00 H ATOM 297 N LEU A 19 40.920 -4.819 7.218 1.00 25.60 N ATOM 298 CA LEU A 19 39.663 -4.685 6.491 1.00 25.27 C ATOM 299 C LEU A 19 38.560 -5.434 7.224 1.00 24.87 C ATOM 300 O LEU A 19 38.745 -6.580 7.615 1.00 24.82 O ATOM 301 CB LEU A 19 39.801 -5.246 5.076 1.00 25.98 C ATOM 302 CG LEU A 19 40.734 -4.524 4.108 1.00 27.30 C ATOM 303 CD1 LEU A 19 40.648 -5.206 2.759 1.00 27.69 C ATOM 304 CD2 LEU A 19 40.377 -3.052 3.969 1.00 28.11 C ATOM 305 HA LEU A 19 39.410 -3.626 6.430 1.00 0.00 H ATOM 306 HB2 LEU A 19 40.158 -6.272 5.167 1.00 0.00 H ATOM 307 HB3 LEU A 19 38.807 -5.247 4.629 1.00 0.00 H ATOM 308 HG LEU A 19 41.750 -4.574 4.500 1.00 0.00 H ATOM 309 HD21 LEU A 19 39.358 -2.961 3.594 1.00 0.00 H ATOM 310 HD22 LEU A 19 40.452 -2.568 4.943 1.00 0.00 H ATOM 311 HD23 LEU A 19 41.066 -2.577 3.271 1.00 0.00 H ATOM 312 HD11 LEU A 19 40.950 -6.248 2.860 1.00 0.00 H ATOM 313 HD12 LEU A 19 39.622 -5.158 2.394 1.00 0.00 H ATOM 314 HD13 LEU A 19 41.310 -4.701 2.055 1.00 0.00 H ATOM 315 H LEU A 19 41.489 -5.679 7.085 1.00 0.00 H ATOM 316 N LYS A 20 37.420 -4.772 7.399 1.00 24.25 N ATOM 317 CA LYS A 20 36.265 -5.358 8.061 1.00 24.22 C ATOM 318 C LYS A 20 35.001 -4.927 7.347 1.00 23.31 C ATOM 319 O LYS A 20 35.012 -3.960 6.587 1.00 24.26 O ATOM 320 CB LYS A 20 36.171 -4.883 9.507 1.00 25.06 C ATOM 321 CG LYS A 20 37.409 -5.153 10.318 1.00 25.66 C ATOM 322 CD LYS A 20 37.323 -4.530 11.696 1.00 27.21 C ATOM 323 CE LYS A 20 38.647 -4.693 12.420 1.00 29.06 C ATOM 324 NZ LYS A 20 38.801 -6.082 12.913 1.00 31.11 N ATOM 325 HA LYS A 20 36.376 -6.442 8.038 1.00 0.00 H ATOM 326 HB2 LYS A 20 35.989 -3.808 9.505 1.00 0.00 H ATOM 327 HB3 LYS A 20 35.332 -5.391 9.982 1.00 0.00 H ATOM 328 HG2 LYS A 20 37.534 -6.231 10.424 1.00 0.00 H ATOM 329 HG3 LYS A 20 38.271 -4.738 9.796 1.00 0.00 H ATOM 330 HD2 LYS A 20 37.092 -3.469 11.600 1.00 0.00 H ATOM 331 HD3 LYS A 20 36.536 -5.022 12.267 1.00 0.00 H ATOM 332 HE2 LYS A 20 38.681 -4.006 13.266 1.00 0.00 H ATOM 333 HE3 LYS A 20 39.462 -4.463 11.734 1.00 0.00 H ATOM 334 HZ1 LYS A 20 38.026 -6.303 13.570 1.00 0.00 H ATOM 335 HZ2 LYS A 20 38.772 -6.740 12.108 1.00 0.00 H ATOM 336 HZ3 LYS A 20 39.712 -6.175 13.406 1.00 0.00 H ATOM 337 H LYS A 20 37.351 -3.795 7.048 1.00 0.00 H ATOM 338 N GLU A 21 33.926 -5.674 7.583 1.00 22.67 N ATOM 339 CA GLU A 21 32.602 -5.319 7.092 1.00 22.32 C ATOM 340 C GLU A 21 31.861 -4.633 8.234 1.00 21.93 C ATOM 341 O GLU A 21 31.996 -5.024 9.393 1.00 21.30 O ATOM 342 CB GLU A 21 31.835 -6.571 6.650 1.00 22.59 C ATOM 343 CG GLU A 21 32.518 -7.378 5.554 1.00 23.86 C ATOM 344 CD GLU A 21 32.452 -6.699 4.200 1.00 25.56 C ATOM 345 OE1 GLU A 21 33.521 -6.361 3.647 1.00 28.31 O ATOM 346 OE2 GLU A 21 31.330 -6.501 3.687 1.00 26.00 O ATOM 347 HA GLU A 21 32.685 -4.659 6.229 1.00 0.00 H ATOM 348 HB2 GLU A 21 31.708 -7.217 7.519 1.00 0.00 H ATOM 349 HB3 GLU A 21 30.857 -6.259 6.284 1.00 0.00 H ATOM 350 HG2 GLU A 21 33.565 -7.517 5.824 1.00 0.00 H ATOM 351 HG3 GLU A 21 32.030 -8.350 5.481 1.00 0.00 H ATOM 352 H GLU A 21 34.035 -6.545 8.140 1.00 0.00 H ATOM 353 N ALA A 22 31.094 -3.599 7.913 1.00 21.03 N ATOM 354 CA ALA A 22 30.316 -2.897 8.924 1.00 21.10 C ATOM 355 C ALA A 22 29.024 -2.345 8.352 1.00 20.56 C ATOM 356 O ALA A 22 28.926 -2.053 7.163 1.00 20.43 O ATOM 357 CB ALA A 22 31.126 -1.775 9.550 1.00 20.50 C ATOM 358 HA ALA A 22 30.063 -3.624 9.696 1.00 0.00 H ATOM 359 HB1 ALA A 22 32.018 -2.191 10.020 1.00 0.00 H ATOM 360 HB2 ALA A 22 31.419 -1.065 8.777 1.00 0.00 H ATOM 361 HB3 ALA A 22 30.521 -1.267 10.301 1.00 0.00 H ATOM 362 H ALA A 22 31.048 -3.285 6.923 1.00 0.00 H ATOM 363 N LEU A 23 28.052 -2.214 9.243 1.00 19.99 N ATOM 364 CA LEU A 23 26.709 -1.761 8.928 1.00 20.28 C ATOM 365 C LEU A 23 26.579 -0.242 9.046 1.00 19.89 C ATOM 366 O LEU A 23 26.844 0.336 10.094 1.00 20.40 O ATOM 367 CB LEU A 23 25.763 -2.427 9.929 1.00 20.29 C ATOM 368 CG LEU A 23 24.263 -2.188 9.849 1.00 21.21 C ATOM 369 CD1 LEU A 23 23.682 -2.881 8.637 1.00 19.42 C ATOM 370 CD2 LEU A 23 23.687 -2.754 11.131 1.00 21.12 C ATOM 371 HA LEU A 23 26.469 -2.028 7.899 1.00 0.00 H ATOM 372 HB2 LEU A 23 25.914 -3.502 9.834 1.00 0.00 H ATOM 373 HB3 LEU A 23 26.079 -2.103 10.921 1.00 0.00 H ATOM 374 HG LEU A 23 24.026 -1.129 9.745 1.00 0.00 H ATOM 375 HD21 LEU A 23 23.916 -3.818 11.192 1.00 0.00 H ATOM 376 HD22 LEU A 23 24.126 -2.237 11.984 1.00 0.00 H ATOM 377 HD23 LEU A 23 22.606 -2.613 11.136 1.00 0.00 H ATOM 378 HD11 LEU A 23 24.153 -2.489 7.735 1.00 0.00 H ATOM 379 HD12 LEU A 23 23.868 -3.953 8.709 1.00 0.00 H ATOM 380 HD13 LEU A 23 22.608 -2.699 8.596 1.00 0.00 H ATOM 381 H LEU A 23 28.265 -2.451 10.233 1.00 0.00 H ATOM 382 N LEU A 24 26.141 0.419 7.982 1.00 19.93 N ATOM 383 CA LEU A 24 25.854 1.852 8.052 1.00 19.88 C ATOM 384 C LEU A 24 24.538 2.060 8.804 1.00 19.89 C ATOM 385 O LEU A 24 23.477 1.657 8.323 1.00 20.90 O ATOM 386 CB LEU A 24 25.767 2.446 6.646 1.00 20.23 C ATOM 387 CG LEU A 24 27.020 2.265 5.789 1.00 21.82 C ATOM 388 CD1 LEU A 24 26.766 2.820 4.385 1.00 24.01 C ATOM 389 CD2 LEU A 24 28.213 2.941 6.427 1.00 23.15 C ATOM 390 HA LEU A 24 26.659 2.360 8.583 1.00 0.00 H ATOM 391 HB2 LEU A 24 24.932 1.972 6.129 1.00 0.00 H ATOM 392 HB3 LEU A 24 25.574 3.514 6.741 1.00 0.00 H ATOM 393 HG LEU A 24 27.245 1.201 5.714 1.00 0.00 H ATOM 394 HD21 LEU A 24 28.011 4.007 6.533 1.00 0.00 H ATOM 395 HD22 LEU A 24 28.394 2.505 7.409 1.00 0.00 H ATOM 396 HD23 LEU A 24 29.091 2.797 5.797 1.00 0.00 H ATOM 397 HD11 LEU A 24 25.934 2.284 3.929 1.00 0.00 H ATOM 398 HD12 LEU A 24 26.523 3.880 4.453 1.00 0.00 H ATOM 399 HD13 LEU A 24 27.661 2.689 3.777 1.00 0.00 H ATOM 400 H LEU A 24 26.000 -0.089 7.085 1.00 0.00 H ATOM 401 N ASP A 25 24.611 2.686 9.977 1.00 20.43 N ATOM 402 CA ASP A 25 23.560 2.563 10.981 1.00 19.96 C ATOM 403 C ASP A 25 23.040 3.915 11.481 1.00 19.58 C ATOM 404 O ASP A 25 23.558 4.467 12.451 1.00 20.30 O ATOM 405 CB ASP A 25 24.096 1.716 12.153 1.00 20.06 C ATOM 406 CG ASP A 25 23.025 1.304 13.137 1.00 21.89 C ATOM 407 OD1 ASP A 25 21.863 1.734 12.979 1.00 21.20 O ATOM 408 OD2 ASP A 25 23.347 0.543 14.079 1.00 22.05 O ATOM 409 HA ASP A 25 22.705 2.073 10.514 1.00 0.00 H ATOM 410 HB2 ASP A 25 24.556 0.816 11.746 1.00 0.00 H ATOM 411 HB3 ASP A 25 24.848 2.299 12.685 1.00 0.00 H ATOM 412 H ASP A 25 25.440 3.279 10.183 1.00 0.00 H ATOM 413 N THR A 26 21.988 4.436 10.850 1.00 18.01 N ATOM 414 CA THR A 26 21.484 5.752 11.232 1.00 18.11 C ATOM 415 C THR A 26 20.827 5.735 12.619 1.00 18.43 C ATOM 416 O THR A 26 20.614 6.788 13.239 1.00 19.34 O ATOM 417 CB THR A 26 20.492 6.295 10.183 1.00 17.75 C ATOM 418 OG1 THR A 26 19.383 5.392 10.041 1.00 16.78 O ATOM 419 CG2 THR A 26 21.198 6.466 8.847 1.00 17.33 C ATOM 420 HA THR A 26 22.346 6.417 11.277 1.00 0.00 H ATOM 421 HB THR A 26 20.117 7.263 10.515 1.00 0.00 H ATOM 422 HG1 THR A 26 18.920 5.301 10.911 1.00 0.00 H ATOM 423 HG23 THR A 26 22.037 7.152 8.966 1.00 0.00 H ATOM 424 HG21 THR A 26 21.564 5.498 8.505 1.00 0.00 H ATOM 425 HG22 THR A 26 20.497 6.870 8.116 1.00 0.00 H ATOM 426 H THR A 26 21.526 3.905 10.085 1.00 0.00 H ATOM 427 N GLY A 27 20.493 4.542 13.107 1.00 18.26 N ATOM 428 CA GLY A 27 19.925 4.385 14.435 1.00 18.19 C ATOM 429 C GLY A 27 20.924 4.259 15.572 1.00 18.61 C ATOM 430 O GLY A 27 20.521 3.948 16.694 1.00 19.04 O ATOM 431 HA3 GLY A 27 19.308 3.486 14.431 1.00 0.00 H ATOM 432 HA2 GLY A 27 19.298 5.254 14.635 1.00 0.00 H ATOM 433 H GLY A 27 20.643 3.697 12.520 1.00 0.00 H ATOM 434 N ALA A 28 22.204 4.497 15.284 1.00 18.84 N ATOM 435 CA ALA A 28 23.279 4.376 16.256 1.00 18.59 C ATOM 436 C ALA A 28 23.954 5.726 16.451 1.00 17.56 C ATOM 437 O ALA A 28 24.428 6.353 15.498 1.00 18.40 O ATOM 438 CB ALA A 28 24.292 3.350 15.816 1.00 18.87 C ATOM 439 HA ALA A 28 22.851 4.046 17.203 1.00 0.00 H ATOM 440 HB1 ALA A 28 23.804 2.381 15.711 1.00 0.00 H ATOM 441 HB2 ALA A 28 24.718 3.649 14.858 1.00 0.00 H ATOM 442 HB3 ALA A 28 25.084 3.280 16.561 1.00 0.00 H ATOM 443 H ALA A 28 22.446 4.784 14.314 1.00 0.00 H ATOM 444 N ASP A 29 23.981 6.174 17.701 1.00 17.90 N ATOM 445 CA ASP A 29 24.719 7.389 18.052 1.00 18.16 C ATOM 446 C ASP A 29 26.210 7.183 17.820 1.00 18.90 C ATOM 447 O ASP A 29 26.902 8.105 17.390 1.00 19.31 O ATOM 448 CB ASP A 29 24.530 7.749 19.532 1.00 18.48 C ATOM 449 CG ASP A 29 23.177 8.358 19.843 1.00 18.30 C ATOM 450 OD1 ASP A 29 22.287 8.346 18.967 1.00 19.38 O ATOM 451 OD2 ASP A 29 23.012 8.873 20.979 1.00 19.05 O ATOM 452 HA ASP A 29 24.333 8.191 17.424 1.00 0.00 H ATOM 453 HB2 ASP A 29 24.643 6.841 20.125 1.00 0.00 H ATOM 454 HB3 ASP A 29 25.303 8.464 19.814 1.00 0.00 H ATOM 455 H ASP A 29 23.470 5.654 18.442 1.00 0.00 H ATOM 456 N ASP A 30 26.678 5.982 18.147 1.00 19.23 N ATOM 457 CA ASP A 30 28.093 5.658 18.225 1.00 19.05 C ATOM 458 C ASP A 30 28.453 4.563 17.225 1.00 19.45 C ATOM 459 O ASP A 30 27.590 3.856 16.714 1.00 19.98 O ATOM 460 CB ASP A 30 28.437 5.149 19.632 1.00 19.20 C ATOM 461 CG ASP A 30 28.101 6.144 20.735 1.00 21.42 C ATOM 462 OD1 ASP A 30 28.322 7.351 20.526 1.00 21.41 O ATOM 463 OD2 ASP A 30 27.650 5.715 21.821 1.00 23.15 O ATOM 464 HA ASP A 30 28.656 6.563 17.998 1.00 0.00 H ATOM 465 HB2 ASP A 30 27.879 4.230 19.813 1.00 0.00 H ATOM 466 HB3 ASP A 30 29.505 4.937 19.671 1.00 0.00 H ATOM 467 H ASP A 30 25.991 5.230 18.359 1.00 0.00 H ATOM 468 N THR A 31 29.759 4.426 17.005 1.00 19.29 N ATOM 469 CA THR A 31 30.339 3.377 16.177 1.00 19.51 C ATOM 470 C THR A 31 30.875 2.277 17.091 1.00 19.72 C ATOM 471 O THR A 31 31.610 2.569 18.019 1.00 18.56 O ATOM 472 CB THR A 31 31.476 3.987 15.326 1.00 20.73 C ATOM 473 OG1 THR A 31 30.881 4.879 14.375 1.00 19.70 O ATOM 474 CG2 THR A 31 32.304 2.920 14.627 1.00 20.71 C ATOM 475 HA THR A 31 29.592 2.949 15.508 1.00 0.00 H ATOM 476 HB THR A 31 32.165 4.526 15.977 1.00 0.00 H ATOM 477 HG1 THR A 31 30.390 5.592 14.855 1.00 0.00 H ATOM 478 HG23 THR A 31 32.744 2.257 15.372 1.00 0.00 H ATOM 479 HG21 THR A 31 31.663 2.344 13.959 1.00 0.00 H ATOM 480 HG22 THR A 31 33.096 3.397 14.050 1.00 0.00 H ATOM 481 H THR A 31 30.404 5.109 17.451 1.00 0.00 H ATOM 482 N VAL A 32 30.477 1.036 16.823 1.00 19.01 N ATOM 483 CA VAL A 32 30.796 -0.103 17.683 1.00 20.13 C ATOM 484 C VAL A 32 31.305 -1.253 16.824 1.00 20.56 C ATOM 485 O VAL A 32 30.590 -1.719 15.944 1.00 20.15 O ATOM 486 CB VAL A 32 29.571 -0.591 18.503 1.00 20.75 C ATOM 487 CG1 VAL A 32 30.048 -1.512 19.617 1.00 21.65 C ATOM 488 CG2 VAL A 32 28.766 0.573 19.082 1.00 22.02 C ATOM 489 HA VAL A 32 31.558 0.226 18.390 1.00 0.00 H ATOM 490 HB VAL A 32 28.906 -1.134 17.831 1.00 0.00 H ATOM 491 HG11 VAL A 32 30.563 -2.369 19.183 1.00 0.00 H ATOM 492 HG12 VAL A 32 30.732 -0.968 20.269 1.00 0.00 H ATOM 493 HG13 VAL A 32 29.190 -1.856 20.194 1.00 0.00 H ATOM 494 HG21 VAL A 32 29.404 1.162 19.741 1.00 0.00 H ATOM 495 HG22 VAL A 32 28.403 1.202 18.269 1.00 0.00 H ATOM 496 HG23 VAL A 32 27.920 0.182 19.647 1.00 0.00 H ATOM 497 H VAL A 32 29.914 0.869 15.964 1.00 0.00 H ATOM 498 N LEU A 33 32.542 -1.677 17.069 1.00 19.93 N ATOM 499 CA LEU A 33 33.151 -2.784 16.342 1.00 20.52 C ATOM 500 C LEU A 33 33.419 -3.941 17.283 1.00 20.57 C ATOM 501 O LEU A 33 33.609 -3.760 18.489 1.00 19.47 O ATOM 502 CB LEU A 33 34.478 -2.357 15.693 1.00 19.93 C ATOM 503 CG LEU A 33 34.379 -1.180 14.719 1.00 20.76 C ATOM 504 CD1 LEU A 33 35.746 -0.852 14.126 1.00 20.70 C ATOM 505 CD2 LEU A 33 33.411 -1.479 13.585 1.00 19.90 C ATOM 506 HA LEU A 33 32.455 -3.090 15.561 1.00 0.00 H ATOM 507 HB2 LEU A 33 35.169 -2.079 16.489 1.00 0.00 H ATOM 508 HB3 LEU A 33 34.878 -3.213 15.149 1.00 0.00 H ATOM 509 HG LEU A 33 34.010 -0.325 15.286 1.00 0.00 H ATOM 510 HD21 LEU A 33 33.756 -2.355 13.036 1.00 0.00 H ATOM 511 HD22 LEU A 33 32.420 -1.673 13.996 1.00 0.00 H ATOM 512 HD23 LEU A 33 33.365 -0.622 12.913 1.00 0.00 H ATOM 513 HD11 LEU A 33 36.435 -0.588 14.928 1.00 0.00 H ATOM 514 HD12 LEU A 33 36.126 -1.722 13.590 1.00 0.00 H ATOM 515 HD13 LEU A 33 35.650 -0.013 13.437 1.00 0.00 H ATOM 516 H LEU A 33 33.096 -1.200 17.808 1.00 0.00 H ATOM 517 N GLU A 34 33.457 -5.134 16.696 1.00 21.51 N ATOM 518 CA GLU A 34 33.786 -6.363 17.399 1.00 22.20 C ATOM 519 C GLU A 34 35.169 -6.257 18.030 1.00 22.30 C ATOM 520 O GLU A 34 35.992 -5.427 17.627 1.00 21.28 O ATOM 521 CB GLU A 34 33.741 -7.541 16.429 1.00 22.42 C ATOM 522 CG GLU A 34 32.349 -7.901 15.944 1.00 23.98 C ATOM 523 CD GLU A 34 32.344 -8.635 14.610 1.00 24.60 C ATOM 524 OE1 GLU A 34 33.435 -8.952 14.084 1.00 27.95 O ATOM 525 OE2 GLU A 34 31.237 -8.879 14.093 1.00 26.40 O ATOM 526 HA GLU A 34 33.054 -6.524 18.191 1.00 0.00 H ATOM 527 HB2 GLU A 34 34.351 -7.291 15.561 1.00 0.00 H ATOM 528 HB3 GLU A 34 34.164 -8.412 16.930 1.00 0.00 H ATOM 529 HG2 GLU A 34 31.877 -8.539 16.691 1.00 0.00 H ATOM 530 HG3 GLU A 34 31.772 -6.982 15.835 1.00 0.00 H ATOM 531 H GLU A 34 33.240 -5.190 15.680 1.00 0.00 H ATOM 532 N GLU A 35 35.405 -7.109 19.019 1.00 22.84 N ATOM 533 CA GLU A 35 36.679 -7.145 19.719 1.00 23.16 C ATOM 534 C GLU A 35 37.864 -7.024 18.775 1.00 23.22 C ATOM 535 O GLU A 35 37.956 -7.743 17.784 1.00 23.37 O ATOM 536 CB GLU A 35 36.803 -8.450 20.501 1.00 23.46 C ATOM 537 CG GLU A 35 38.006 -8.498 21.417 1.00 25.87 C ATOM 538 CD GLU A 35 37.996 -7.356 22.409 1.00 30.94 C ATOM 539 OE1 GLU A 35 36.913 -7.064 22.965 1.00 34.56 O ATOM 540 OE2 GLU A 35 39.076 -6.765 22.629 1.00 38.65 O ATOM 541 HA GLU A 35 36.696 -6.288 20.393 1.00 0.00 H ATOM 542 HB2 GLU A 35 35.905 -8.576 21.105 1.00 0.00 H ATOM 543 HB3 GLU A 35 36.879 -9.272 19.789 1.00 0.00 H ATOM 544 HG2 GLU A 35 37.998 -9.441 21.963 1.00 0.00 H ATOM 545 HG3 GLU A 35 38.912 -8.436 20.815 1.00 0.00 H ATOM 546 H GLU A 35 34.655 -7.772 19.303 1.00 0.00 H ATOM 547 N MET A 36 38.763 -6.103 19.107 1.00 23.40 N ATOM 548 CA MET A 36 39.996 -5.908 18.362 1.00 23.33 C ATOM 549 C MET A 36 40.906 -5.039 19.202 1.00 23.33 C ATOM 550 O MET A 36 40.451 -4.370 20.122 1.00 22.88 O ATOM 551 CB MET A 36 39.733 -5.204 17.035 1.00 23.16 C ATOM 552 CG MET A 36 39.283 -3.759 17.183 1.00 23.97 C ATOM 553 SD MET A 36 39.101 -2.935 15.593 1.00 26.05 S ATOM 554 CE MET A 36 40.803 -2.883 15.030 1.00 28.54 C ATOM 555 HA MET A 36 40.447 -6.878 18.150 1.00 0.00 H ATOM 556 HB2 MET A 36 40.653 -5.219 16.450 1.00 0.00 H ATOM 557 HB3 MET A 36 38.956 -5.753 16.503 1.00 0.00 H ATOM 558 HG2 MET A 36 40.023 -3.220 17.775 1.00 0.00 H ATOM 559 HG3 MET A 36 38.323 -3.741 17.699 1.00 0.00 H ATOM 560 HE1 MET A 36 41.404 -2.320 15.744 1.00 0.00 H ATOM 561 HE2 MET A 36 41.189 -3.899 14.950 1.00 0.00 H ATOM 562 HE3 MET A 36 40.847 -2.399 14.055 1.00 0.00 H ATOM 563 H MET A 36 38.577 -5.498 19.932 1.00 0.00 H ATOM 564 N ASN A 37 42.191 -5.052 18.870 1.00 22.87 N ATOM 565 CA ASN A 37 43.165 -4.242 19.576 1.00 23.30 C ATOM 566 C ASN A 37 43.403 -2.951 18.817 1.00 23.63 C ATOM 567 O ASN A 37 43.773 -2.978 17.642 1.00 24.64 O ATOM 568 CB ASN A 37 44.455 -5.039 19.738 1.00 23.08 C ATOM 569 CG ASN A 37 44.270 -6.207 20.674 1.00 24.67 C ATOM 570 OD1 ASN A 37 44.573 -7.349 20.333 1.00 28.88 O ATOM 571 ND2 ASN A 37 43.730 -5.929 21.857 1.00 27.13 N ATOM 572 HA ASN A 37 42.792 -3.984 20.567 1.00 0.00 H ATOM 573 HB2 ASN A 37 44.766 -5.413 18.762 1.00 0.00 H ATOM 574 HB3 ASN A 37 45.229 -4.384 20.138 1.00 0.00 H ATOM 575 HD22 ASN A 37 43.490 -4.947 22.101 1.00 0.00 H ATOM 576 HD21 ASN A 37 43.547 -6.694 22.538 1.00 0.00 H ATOM 577 H ASN A 37 42.507 -5.657 18.085 1.00 0.00 H ATOM 578 N LEU A 38 43.164 -1.831 19.491 1.00 23.52 N ATOM 579 CA LEU A 38 43.429 -0.522 18.920 1.00 24.01 C ATOM 580 C LEU A 38 44.411 0.206 19.817 1.00 24.61 C ATOM 581 O LEU A 38 44.503 -0.093 21.012 1.00 24.40 O ATOM 582 CB LEU A 38 42.139 0.291 18.775 1.00 23.60 C ATOM 583 CG LEU A 38 41.290 -0.060 17.553 1.00 23.14 C ATOM 584 CD1 LEU A 38 39.940 0.646 17.632 1.00 23.43 C ATOM 585 CD2 LEU A 38 42.014 0.262 16.247 1.00 23.32 C ATOM 586 HA LEU A 38 43.851 -0.645 17.923 1.00 0.00 H ATOM 587 HB2 LEU A 38 41.533 0.127 19.666 1.00 0.00 H ATOM 588 HB3 LEU A 38 42.409 1.345 18.709 1.00 0.00 H ATOM 589 HG LEU A 38 41.118 -1.136 17.558 1.00 0.00 H ATOM 590 HD21 LEU A 38 42.241 1.328 16.212 1.00 0.00 H ATOM 591 HD22 LEU A 38 42.941 -0.310 16.196 1.00 0.00 H ATOM 592 HD23 LEU A 38 41.375 -0.003 15.404 1.00 0.00 H ATOM 593 HD11 LEU A 38 39.418 0.328 18.534 1.00 0.00 H ATOM 594 HD12 LEU A 38 40.097 1.724 17.662 1.00 0.00 H ATOM 595 HD13 LEU A 38 39.345 0.388 16.756 1.00 0.00 H ATOM 596 H LEU A 38 42.776 -1.893 20.454 1.00 0.00 H ATOM 597 N PRO A 39 45.133 1.179 19.244 1.00 25.33 N ATOM 598 CA PRO A 39 46.242 1.779 19.970 1.00 25.74 C ATOM 599 C PRO A 39 45.803 2.752 21.053 1.00 26.15 C ATOM 600 O PRO A 39 44.753 3.398 20.956 1.00 26.23 O ATOM 601 CB PRO A 39 47.028 2.529 18.888 1.00 25.89 C ATOM 602 CG PRO A 39 46.290 2.335 17.600 1.00 25.67 C ATOM 603 CD PRO A 39 44.949 1.790 17.915 1.00 25.68 C ATOM 604 HA PRO A 39 46.816 1.015 20.495 1.00 0.00 H ATOM 605 HD3 PRO A 39 44.203 2.584 17.950 1.00 0.00 H ATOM 606 HD2 PRO A 39 44.648 1.043 17.180 1.00 0.00 H ATOM 607 HG3 PRO A 39 46.833 1.636 16.964 1.00 0.00 H ATOM 608 HG2 PRO A 39 46.189 3.290 17.084 1.00 0.00 H ATOM 609 HB2 PRO A 39 47.084 3.590 19.132 1.00 0.00 H ATOM 610 HB3 PRO A 39 48.036 2.123 18.807 1.00 0.00 H ATOM 611 N GLY A 40 46.623 2.823 22.092 1.00 26.50 N ATOM 612 CA GLY A 40 46.582 3.930 23.024 1.00 26.59 C ATOM 613 C GLY A 40 45.566 3.786 24.134 1.00 26.31 C ATOM 614 O GLY A 40 45.003 2.719 24.369 1.00 26.32 O ATOM 615 HA3 GLY A 40 46.348 4.836 22.465 1.00 0.00 H ATOM 616 HA2 GLY A 40 47.568 4.029 23.477 1.00 0.00 H ATOM 617 H GLY A 40 47.316 2.062 22.242 1.00 0.00 H ATOM 618 N LYS A 41 45.407 4.901 24.838 1.00 26.38 N ATOM 619 CA LYS A 41 44.428 5.074 25.893 1.00 25.96 C ATOM 620 C LYS A 41 43.057 4.600 25.441 1.00 25.53 C ATOM 621 O LYS A 41 42.587 4.955 24.355 1.00 26.19 O ATOM 622 CB LYS A 41 44.373 6.551 26.276 1.00 26.03 C ATOM 623 HA LYS A 41 44.721 4.476 26.756 1.00 0.00 H ATOM 624 HB2 LYS A 41 45.354 6.871 26.626 1.00 0.00 H ATOM 625 HB3 LYS A 41 44.086 7.140 25.405 1.00 0.00 H ATOM 626 H LYS A 41 46.028 5.706 24.617 1.00 0.00 H ATOM 627 N TRP A 42 42.430 3.768 26.266 1.00 24.52 N ATOM 628 CA TRP A 42 41.002 3.550 26.146 1.00 23.76 C ATOM 629 C TRP A 42 40.333 3.650 27.512 1.00 23.43 C ATOM 630 O TRP A 42 40.968 3.443 28.552 1.00 23.11 O ATOM 631 CB TRP A 42 40.697 2.220 25.450 1.00 24.25 C ATOM 632 CG TRP A 42 41.289 1.005 26.109 1.00 24.38 C ATOM 633 CD1 TRP A 42 42.485 0.409 25.826 1.00 24.71 C ATOM 634 CD2 TRP A 42 40.687 0.228 27.150 1.00 24.19 C ATOM 635 NE1 TRP A 42 42.667 -0.690 26.634 1.00 25.37 N ATOM 636 CE2 TRP A 42 41.577 -0.823 27.455 1.00 25.97 C ATOM 637 CE3 TRP A 42 39.476 0.316 27.851 1.00 24.85 C ATOM 638 CZ2 TRP A 42 41.300 -1.774 28.442 1.00 24.95 C ATOM 639 CZ3 TRP A 42 39.206 -0.629 28.835 1.00 24.47 C ATOM 640 CH2 TRP A 42 40.111 -1.659 29.115 1.00 24.51 C ATOM 641 HA TRP A 42 40.584 4.335 25.515 1.00 0.00 H ATOM 642 HB2 TRP A 42 39.615 2.095 25.420 1.00 0.00 H ATOM 643 HB3 TRP A 42 41.084 2.275 24.432 1.00 0.00 H ATOM 644 HE1 TRP A 42 43.496 -1.317 26.624 1.00 0.00 H ATOM 645 HD1 TRP A 42 43.192 0.753 25.071 1.00 0.00 H ATOM 646 HZ2 TRP A 42 42.003 -2.576 28.668 1.00 0.00 H ATOM 647 HH2 TRP A 42 39.865 -2.388 29.887 1.00 0.00 H ATOM 648 HZ3 TRP A 42 38.274 -0.566 29.397 1.00 0.00 H ATOM 649 HE3 TRP A 42 38.761 1.108 27.629 1.00 0.00 H ATOM 650 H TRP A 42 42.968 3.269 27.003 1.00 0.00 H ATOM 651 N LYS A 43 39.050 3.995 27.469 1.00 22.64 N ATOM 652 CA LYS A 43 38.199 4.149 28.636 1.00 22.13 C ATOM 653 C LYS A 43 37.068 3.130 28.539 1.00 21.70 C ATOM 654 O LYS A 43 36.465 3.011 27.478 1.00 20.32 O ATOM 655 CB LYS A 43 37.617 5.553 28.648 1.00 22.37 C ATOM 656 HA LYS A 43 38.772 3.990 29.550 1.00 0.00 H ATOM 657 HB2 LYS A 43 38.428 6.281 28.687 1.00 0.00 H ATOM 658 HB3 LYS A 43 37.030 5.709 27.743 1.00 0.00 H ATOM 659 H LYS A 43 38.626 4.167 26.535 1.00 0.00 H ATOM 660 N PRO A 44 36.778 2.396 29.627 1.00 21.86 N ATOM 661 CA PRO A 44 35.559 1.587 29.648 1.00 22.53 C ATOM 662 C PRO A 44 34.319 2.470 29.573 1.00 22.81 C ATOM 663 O PRO A 44 34.287 3.529 30.191 1.00 22.22 O ATOM 664 CB PRO A 44 35.610 0.874 31.008 1.00 22.33 C ATOM 665 CG PRO A 44 36.980 1.055 31.527 1.00 22.94 C ATOM 666 CD PRO A 44 37.568 2.268 30.864 1.00 21.96 C ATOM 667 HA PRO A 44 35.505 0.900 28.803 1.00 0.00 H ATOM 668 HD3 PRO A 44 37.454 3.151 31.493 1.00 0.00 H ATOM 669 HD2 PRO A 44 38.624 2.117 30.639 1.00 0.00 H ATOM 670 HG3 PRO A 44 37.583 0.177 31.296 1.00 0.00 H ATOM 671 HG2 PRO A 44 36.951 1.200 32.607 1.00 0.00 H ATOM 672 HB2 PRO A 44 34.886 1.317 31.693 1.00 0.00 H ATOM 673 HB3 PRO A 44 35.391 -0.187 30.886 1.00 0.00 H ATOM 674 N LYS A 45 33.320 2.035 28.813 1.00 23.33 N ATOM 675 CA LYS A 45 32.090 2.793 28.605 1.00 23.80 C ATOM 676 C LYS A 45 30.941 1.786 28.563 1.00 23.88 C ATOM 677 O LYS A 45 31.139 0.643 28.150 1.00 24.05 O ATOM 678 CB LYS A 45 32.154 3.559 27.274 1.00 24.61 C ATOM 679 CG LYS A 45 31.040 4.583 27.061 1.00 24.65 C ATOM 680 CD LYS A 45 30.896 5.050 25.610 1.00 25.56 C ATOM 681 CE LYS A 45 30.150 6.382 25.520 1.00 26.25 C ATOM 682 NZ LYS A 45 29.207 6.498 24.363 1.00 28.40 N ATOM 683 HA LYS A 45 31.949 3.518 29.406 1.00 0.00 H ATOM 684 HB2 LYS A 45 33.108 4.084 27.232 1.00 0.00 H ATOM 685 HB3 LYS A 45 32.105 2.832 26.463 1.00 0.00 H ATOM 686 HG2 LYS A 45 30.097 4.134 27.373 1.00 0.00 H ATOM 687 HG3 LYS A 45 31.250 5.453 27.683 1.00 0.00 H ATOM 688 HD2 LYS A 45 31.889 5.170 25.176 1.00 0.00 H ATOM 689 HD3 LYS A 45 30.344 4.296 25.048 1.00 0.00 H ATOM 690 HE2 LYS A 45 30.889 7.179 25.437 1.00 0.00 H ATOM 691 HE3 LYS A 45 29.578 6.513 26.438 1.00 0.00 H ATOM 692 HZ1 LYS A 45 29.736 6.390 23.474 1.00 0.00 H ATOM 693 HZ2 LYS A 45 28.484 5.753 24.431 1.00 0.00 H ATOM 694 HZ3 LYS A 45 28.748 7.431 24.383 1.00 0.00 H ATOM 695 H LYS A 45 33.419 1.112 28.345 1.00 0.00 H ATOM 696 N MET A 46 29.760 2.215 28.997 1.00 23.00 N ATOM 697 CA MET A 46 28.546 1.412 28.879 1.00 22.98 C ATOM 698 C MET A 46 27.639 2.072 27.849 1.00 22.23 C ATOM 699 O MET A 46 27.431 3.281 27.896 1.00 22.23 O ATOM 700 CB MET A 46 27.796 1.342 30.211 1.00 23.68 C ATOM 701 CG MET A 46 28.593 0.793 31.384 1.00 25.74 C ATOM 702 SD MET A 46 29.153 -0.898 31.102 1.00 30.15 S ATOM 703 CE MET A 46 27.590 -1.775 31.048 1.00 28.76 C ATOM 704 HA MET A 46 28.821 0.400 28.582 1.00 0.00 H ATOM 705 HB2 MET A 46 27.472 2.351 30.468 1.00 0.00 H ATOM 706 HB3 MET A 46 26.922 0.706 30.071 1.00 0.00 H ATOM 707 HG2 MET A 46 27.964 0.810 32.274 1.00 0.00 H ATOM 708 HG3 MET A 46 29.464 1.429 31.544 1.00 0.00 H ATOM 709 HE1 MET A 46 27.068 -1.642 31.995 1.00 0.00 H ATOM 710 HE2 MET A 46 26.980 -1.378 30.237 1.00 0.00 H ATOM 711 HE3 MET A 46 27.776 -2.836 30.879 1.00 0.00 H ATOM 712 H MET A 46 29.698 3.156 29.436 1.00 0.00 H ATOM 713 N ILE A 47 27.115 1.278 26.920 1.00 21.41 N ATOM 714 CA ILE A 47 26.154 1.771 25.939 1.00 20.68 C ATOM 715 C ILE A 47 24.901 0.915 26.012 1.00 20.60 C ATOM 716 O ILE A 47 24.935 -0.186 26.560 1.00 20.77 O ATOM 717 CB ILE A 47 26.757 1.807 24.515 1.00 20.50 C ATOM 718 CG1 ILE A 47 27.100 0.403 24.002 1.00 21.23 C ATOM 719 CG2 ILE A 47 28.000 2.680 24.526 1.00 21.07 C ATOM 720 CD1 ILE A 47 27.724 0.378 22.609 1.00 21.33 C ATOM 721 HA ILE A 47 25.891 2.802 26.174 1.00 0.00 H ATOM 722 HB ILE A 47 26.012 2.223 23.837 1.00 0.00 H ATOM 723 HG12 ILE A 47 27.803 -0.053 24.699 1.00 0.00 H ATOM 724 HG13 ILE A 47 26.182 -0.185 23.976 1.00 0.00 H ATOM 725 HD11 ILE A 47 27.030 0.819 21.893 1.00 0.00 H ATOM 726 HD12 ILE A 47 28.652 0.950 22.617 1.00 0.00 H ATOM 727 HD13 ILE A 47 27.934 -0.653 22.325 1.00 0.00 H ATOM 728 HG21 ILE A 47 27.731 3.689 24.837 1.00 0.00 H ATOM 729 HG22 ILE A 47 28.728 2.265 25.223 1.00 0.00 H ATOM 730 HG23 ILE A 47 28.430 2.710 23.525 1.00 0.00 H ATOM 731 H ILE A 47 27.398 0.278 26.892 1.00 0.00 H ATOM 732 N VAL A 48 23.799 1.446 25.495 1.00 18.70 N ATOM 733 CA VAL A 48 22.483 0.834 25.702 1.00 19.65 C ATOM 734 C VAL A 48 21.689 0.849 24.413 1.00 18.97 C ATOM 735 O VAL A 48 21.717 1.830 23.672 1.00 18.24 O ATOM 736 CB VAL A 48 21.591 1.629 26.677 1.00 20.53 C ATOM 737 CG1 VAL A 48 20.546 0.712 27.345 1.00 21.28 C ATOM 738 CG2 VAL A 48 22.415 2.400 27.671 1.00 23.09 C ATOM 739 HA VAL A 48 22.700 -0.164 26.083 1.00 0.00 H ATOM 740 HB VAL A 48 21.034 2.370 26.104 1.00 0.00 H ATOM 741 HG11 VAL A 48 19.914 0.265 26.578 1.00 0.00 H ATOM 742 HG12 VAL A 48 21.057 -0.074 27.901 1.00 0.00 H ATOM 743 HG13 VAL A 48 19.932 1.300 28.027 1.00 0.00 H ATOM 744 HG21 VAL A 48 23.027 1.707 28.248 1.00 0.00 H ATOM 745 HG22 VAL A 48 23.059 3.101 27.141 1.00 0.00 H ATOM 746 HG23 VAL A 48 21.754 2.948 28.342 1.00 0.00 H ATOM 747 H VAL A 48 23.871 2.316 24.930 1.00 0.00 H ATOM 748 N GLY A 49 20.960 -0.235 24.184 1.00 18.35 N ATOM 749 CA GLY A 49 20.008 -0.307 23.096 1.00 18.73 C ATOM 750 C GLY A 49 18.997 -1.390 23.400 1.00 18.34 C ATOM 751 O GLY A 49 18.732 -1.684 24.567 1.00 18.30 O ATOM 752 HA3 GLY A 49 20.529 -0.543 22.168 1.00 0.00 H ATOM 753 HA2 GLY A 49 19.498 0.651 22.991 1.00 0.00 H ATOM 754 H GLY A 49 21.076 -1.060 24.806 1.00 0.00 H ATOM 755 N ILE A 50 18.422 -1.980 22.360 1.00 18.57 N ATOM 756 CA ILE A 50 17.476 -3.072 22.561 1.00 18.80 C ATOM 757 C ILE A 50 18.248 -4.271 23.110 1.00 18.82 C ATOM 758 O ILE A 50 19.343 -4.568 22.652 1.00 18.76 O ATOM 759 CB ILE A 50 16.689 -3.390 21.269 1.00 18.74 C ATOM 760 CG1 ILE A 50 15.605 -2.321 21.080 1.00 19.10 C ATOM 761 CG2 ILE A 50 16.056 -4.781 21.328 1.00 19.00 C ATOM 762 CD1 ILE A 50 15.110 -2.170 19.670 1.00 18.74 C ATOM 763 HA ILE A 50 16.714 -2.786 23.287 1.00 0.00 H ATOM 764 HB ILE A 50 17.377 -3.382 20.424 1.00 0.00 H ATOM 765 HG12 ILE A 50 14.756 -2.583 21.712 1.00 0.00 H ATOM 766 HG13 ILE A 50 16.013 -1.363 21.401 1.00 0.00 H ATOM 767 HD11 ILE A 50 15.942 -1.894 19.022 1.00 0.00 H ATOM 768 HD12 ILE A 50 14.683 -3.115 19.333 1.00 0.00 H ATOM 769 HD13 ILE A 50 14.347 -1.392 19.635 1.00 0.00 H ATOM 770 HG21 ILE A 50 16.838 -5.530 21.450 1.00 0.00 H ATOM 771 HG22 ILE A 50 15.369 -4.831 22.173 1.00 0.00 H ATOM 772 HG23 ILE A 50 15.511 -4.970 20.403 1.00 0.00 H ATOM 773 H ILE A 50 18.647 -1.662 21.396 1.00 0.00 H ATOM 774 N GLY A 51 17.683 -4.924 24.119 1.00 19.53 N ATOM 775 CA GLY A 51 18.365 -5.982 24.848 1.00 19.54 C ATOM 776 C GLY A 51 19.220 -5.505 26.005 1.00 20.49 C ATOM 777 O GLY A 51 19.778 -6.334 26.729 1.00 22.35 O ATOM 778 HA3 GLY A 51 19.008 -6.517 24.149 1.00 0.00 H ATOM 779 HA2 GLY A 51 17.611 -6.664 25.241 1.00 0.00 H ATOM 780 H GLY A 51 16.714 -4.669 24.399 1.00 0.00 H ATOM 781 N GLY A 52 19.366 -4.192 26.178 1.00 19.94 N ATOM 782 CA GLY A 52 19.958 -3.639 27.390 1.00 20.27 C ATOM 783 C GLY A 52 21.360 -3.098 27.205 1.00 20.37 C ATOM 784 O GLY A 52 21.695 -2.610 26.128 1.00 20.16 O ATOM 785 HA3 GLY A 52 19.992 -4.425 28.144 1.00 0.00 H ATOM 786 HA2 GLY A 52 19.322 -2.827 27.742 1.00 0.00 H ATOM 787 H GLY A 52 19.049 -3.544 25.428 1.00 0.00 H ATOM 788 N PHE A 53 22.158 -3.180 28.268 1.00 20.73 N ATOM 789 CA PHE A 53 23.478 -2.550 28.334 1.00 20.86 C ATOM 790 C PHE A 53 24.591 -3.474 27.850 1.00 21.28 C ATOM 791 O PHE A 53 24.511 -4.700 27.995 1.00 21.27 O ATOM 792 CB PHE A 53 23.817 -2.144 29.774 1.00 22.01 C ATOM 793 CG PHE A 53 23.329 -0.782 30.147 1.00 22.53 C ATOM 794 CD1 PHE A 53 22.053 -0.599 30.644 1.00 24.14 C ATOM 795 CD2 PHE A 53 24.153 0.318 29.988 1.00 23.89 C ATOM 796 CE1 PHE A 53 21.602 0.659 30.986 1.00 23.42 C ATOM 797 CE2 PHE A 53 23.715 1.580 30.334 1.00 24.19 C ATOM 798 CZ PHE A 53 22.434 1.751 30.831 1.00 24.22 C ATOM 799 HA PHE A 53 23.423 -1.678 27.682 1.00 0.00 H ATOM 800 HB2 PHE A 53 23.365 -2.869 30.451 1.00 0.00 H ATOM 801 HB3 PHE A 53 24.900 -2.165 29.891 1.00 0.00 H ATOM 802 HD2 PHE A 53 25.157 0.187 29.586 1.00 0.00 H ATOM 803 HE2 PHE A 53 24.375 2.439 30.216 1.00 0.00 H ATOM 804 HZ PHE A 53 22.082 2.747 31.100 1.00 0.00 H ATOM 805 HE1 PHE A 53 20.593 0.791 31.377 1.00 0.00 H ATOM 806 HD1 PHE A 53 21.395 -1.459 30.767 1.00 0.00 H ATOM 807 H PHE A 53 21.827 -3.719 29.093 1.00 0.00 H ATOM 808 N VAL A 54 25.639 -2.848 27.320 1.00 20.94 N ATOM 809 CA VAL A 54 26.840 -3.530 26.852 1.00 20.69 C ATOM 810 C VAL A 54 28.073 -2.751 27.307 1.00 20.52 C ATOM 811 O VAL A 54 28.104 -1.526 27.183 1.00 20.32 O ATOM 812 CB VAL A 54 26.830 -3.614 25.312 1.00 20.55 C ATOM 813 CG1 VAL A 54 28.114 -4.242 24.785 1.00 20.41 C ATOM 814 CG2 VAL A 54 25.599 -4.392 24.853 1.00 20.17 C ATOM 815 HA VAL A 54 26.865 -4.538 27.267 1.00 0.00 H ATOM 816 HB VAL A 54 26.780 -2.605 24.903 1.00 0.00 H ATOM 817 HG11 VAL A 54 28.966 -3.638 25.095 1.00 0.00 H ATOM 818 HG12 VAL A 54 28.216 -5.250 25.188 1.00 0.00 H ATOM 819 HG13 VAL A 54 28.075 -4.287 23.697 1.00 0.00 H ATOM 820 HG21 VAL A 54 25.629 -5.398 25.272 1.00 0.00 H ATOM 821 HG22 VAL A 54 24.699 -3.881 25.196 1.00 0.00 H ATOM 822 HG23 VAL A 54 25.593 -4.451 23.765 1.00 0.00 H ATOM 823 H VAL A 54 25.599 -1.812 27.235 1.00 0.00 H ATOM 824 N LYS A 55 29.075 -3.462 27.820 1.00 20.22 N ATOM 825 CA LYS A 55 30.341 -2.851 28.201 1.00 20.69 C ATOM 826 C LYS A 55 31.278 -2.850 26.997 1.00 20.46 C ATOM 827 O LYS A 55 31.519 -3.884 26.389 1.00 19.65 O ATOM 828 CB LYS A 55 30.990 -3.611 29.361 1.00 20.72 C ATOM 829 CG LYS A 55 32.163 -2.882 29.993 1.00 21.80 C ATOM 830 CD LYS A 55 32.675 -3.571 31.253 1.00 22.38 C ATOM 831 CE LYS A 55 33.794 -2.758 31.891 1.00 24.35 C ATOM 832 NZ LYS A 55 33.286 -1.596 32.658 1.00 27.21 N ATOM 833 HA LYS A 55 30.152 -1.829 28.528 1.00 0.00 H ATOM 834 HB2 LYS A 55 30.234 -3.777 30.129 1.00 0.00 H ATOM 835 HB3 LYS A 55 31.344 -4.572 28.987 1.00 0.00 H ATOM 836 HG2 LYS A 55 32.975 -2.833 29.268 1.00 0.00 H ATOM 837 HG3 LYS A 55 31.847 -1.871 30.252 1.00 0.00 H ATOM 838 HD2 LYS A 55 31.855 -3.673 31.964 1.00 0.00 H ATOM 839 HD3 LYS A 55 33.053 -4.559 30.993 1.00 0.00 H ATOM 840 HE2 LYS A 55 34.455 -2.395 31.104 1.00 0.00 H ATOM 841 HE3 LYS A 55 34.355 -3.404 32.566 1.00 0.00 H ATOM 842 HZ1 LYS A 55 32.756 -0.967 32.022 1.00 0.00 H ATOM 843 HZ2 LYS A 55 32.660 -1.931 33.418 1.00 0.00 H ATOM 844 HZ3 LYS A 55 34.087 -1.078 33.071 1.00 0.00 H ATOM 845 H LYS A 55 28.950 -4.486 27.953 1.00 0.00 H ATOM 846 N VAL A 56 31.799 -1.675 26.664 1.00 20.40 N ATOM 847 CA VAL A 56 32.710 -1.516 25.538 1.00 20.69 C ATOM 848 C VAL A 56 33.929 -0.718 25.990 1.00 21.24 C ATOM 849 O VAL A 56 34.003 -0.273 27.141 1.00 21.08 O ATOM 850 CB VAL A 56 32.018 -0.832 24.338 1.00 20.27 C ATOM 851 CG1 VAL A 56 30.752 -1.589 23.955 1.00 19.83 C ATOM 852 CG2 VAL A 56 31.712 0.637 24.636 1.00 20.51 C ATOM 853 HA VAL A 56 33.026 -2.503 25.201 1.00 0.00 H ATOM 854 HB VAL A 56 32.704 -0.856 23.491 1.00 0.00 H ATOM 855 HG11 VAL A 56 31.011 -2.612 23.681 1.00 0.00 H ATOM 856 HG12 VAL A 56 30.067 -1.600 24.802 1.00 0.00 H ATOM 857 HG13 VAL A 56 30.277 -1.094 23.108 1.00 0.00 H ATOM 858 HG21 VAL A 56 31.051 0.701 25.501 1.00 0.00 H ATOM 859 HG22 VAL A 56 32.642 1.165 24.848 1.00 0.00 H ATOM 860 HG23 VAL A 56 31.225 1.088 23.771 1.00 0.00 H ATOM 861 H VAL A 56 31.548 -0.838 27.227 1.00 0.00 H ATOM 862 N ARG A 57 34.886 -0.572 25.080 1.00 21.89 N ATOM 863 CA ARG A 57 36.101 0.207 25.307 1.00 23.22 C ATOM 864 C ARG A 57 36.081 1.344 24.311 1.00 23.77 C ATOM 865 O ARG A 57 35.834 1.108 23.125 1.00 23.79 O ATOM 866 CB ARG A 57 37.350 -0.639 25.031 1.00 23.79 C ATOM 867 CG ARG A 57 37.375 -1.919 25.814 1.00 25.46 C ATOM 868 CD ARG A 57 38.759 -2.510 25.957 1.00 27.70 C ATOM 869 NE ARG A 57 39.470 -2.715 24.703 1.00 29.49 N ATOM 870 CZ ARG A 57 39.157 -3.649 23.814 1.00 31.02 C ATOM 871 NH1 ARG A 57 38.119 -4.448 24.010 1.00 32.31 N ATOM 872 NH2 ARG A 57 39.879 -3.769 22.708 1.00 32.43 N ATOM 873 HA ARG A 57 36.133 0.553 26.340 1.00 0.00 H ATOM 874 HB2 ARG A 57 37.379 -0.881 23.969 1.00 0.00 H ATOM 875 HB3 ARG A 57 38.231 -0.054 25.293 1.00 0.00 H ATOM 876 HG2 ARG A 57 36.979 -1.723 26.810 1.00 0.00 H ATOM 877 HG3 ARG A 57 36.739 -2.646 25.308 1.00 0.00 H ATOM 878 HD2 ARG A 57 38.666 -3.475 26.455 1.00 0.00 H ATOM 879 HD3 ARG A 57 39.352 -1.838 26.577 1.00 0.00 H ATOM 880 HE ARG A 57 40.274 -2.090 24.491 1.00 0.00 H ATOM 881 HH12 ARG A 57 37.883 -5.176 23.306 1.00 0.00 H ATOM 882 HH11 ARG A 57 37.540 -4.347 24.868 1.00 0.00 H ATOM 883 HH22 ARG A 57 39.639 -4.499 22.007 1.00 0.00 H ATOM 884 HH21 ARG A 57 40.685 -3.133 22.542 1.00 0.00 H ATOM 885 H ARG A 57 34.764 -1.037 24.158 1.00 0.00 H ATOM 886 N GLN A 58 36.331 2.557 24.787 1.00 23.26 N ATOM 887 CA GLN A 58 36.273 3.735 23.933 1.00 23.67 C ATOM 888 C GLN A 58 37.680 4.177 23.524 1.00 23.95 C ATOM 889 O GLN A 58 38.534 4.413 24.383 1.00 23.12 O ATOM 890 CB GLN A 58 35.565 4.876 24.657 1.00 24.31 C ATOM 891 CG GLN A 58 35.631 6.194 23.906 1.00 23.83 C ATOM 892 CD GLN A 58 34.774 7.279 24.528 1.00 24.86 C ATOM 893 OE1 GLN A 58 33.901 7.010 25.347 1.00 26.83 O ATOM 894 NE2 GLN A 58 35.029 8.523 24.136 1.00 27.13 N ATOM 895 HA GLN A 58 35.713 3.477 23.034 1.00 0.00 H ATOM 896 HB2 GLN A 58 34.518 4.605 24.790 1.00 0.00 H ATOM 897 HB3 GLN A 58 36.031 5.010 25.633 1.00 0.00 H ATOM 898 HG2 GLN A 58 36.666 6.534 23.893 1.00 0.00 H ATOM 899 HG3 GLN A 58 35.292 6.028 22.883 1.00 0.00 H ATOM 900 HE22 GLN A 58 35.779 8.705 23.439 1.00 0.00 H ATOM 901 HE21 GLN A 58 34.479 9.314 24.526 1.00 0.00 H ATOM 902 H GLN A 58 36.574 2.669 25.792 1.00 0.00 H ATOM 903 N TYR A 59 37.878 4.265 22.208 1.00 25.20 N ATOM 904 CA TYR A 59 39.084 4.808 21.601 1.00 25.12 C ATOM 905 C TYR A 59 38.733 6.060 20.807 1.00 25.93 C ATOM 906 O TYR A 59 37.811 6.027 19.996 1.00 26.57 O ATOM 907 CB TYR A 59 39.683 3.794 20.633 1.00 25.28 C ATOM 908 CG TYR A 59 40.201 2.561 21.319 1.00 24.29 C ATOM 909 CD1 TYR A 59 39.385 1.458 21.514 1.00 24.88 C ATOM 910 CD2 TYR A 59 41.516 2.499 21.763 1.00 24.42 C ATOM 911 CE1 TYR A 59 39.854 0.325 22.134 1.00 25.17 C ATOM 912 CE2 TYR A 59 41.996 1.358 22.389 1.00 25.24 C ATOM 913 CZ TYR A 59 41.152 0.276 22.577 1.00 25.72 C ATOM 914 OH TYR A 59 41.596 -0.871 23.197 1.00 27.68 O ATOM 915 HA TYR A 59 39.797 5.040 22.392 1.00 0.00 H ATOM 916 HB3 TYR A 59 40.508 4.267 20.100 1.00 0.00 H ATOM 917 HB2 TYR A 59 38.914 3.498 19.920 1.00 0.00 H ATOM 918 HD2 TYR A 59 42.176 3.354 21.618 1.00 0.00 H ATOM 919 HE2 TYR A 59 43.030 1.313 22.731 1.00 0.00 H ATOM 920 HE1 TYR A 59 39.196 -0.533 22.274 1.00 0.00 H ATOM 921 HD1 TYR A 59 38.352 1.490 21.169 1.00 0.00 H ATOM 922 HH TYR A 59 40.857 -1.529 23.240 1.00 0.00 H ATOM 923 H TYR A 59 37.124 3.925 21.577 1.00 0.00 H ATOM 924 N ASP A 60 39.455 7.150 21.058 1.00 26.27 N ATOM 925 CA ASP A 60 39.188 8.422 20.393 1.00 26.05 C ATOM 926 C ASP A 60 40.228 8.729 19.315 1.00 26.09 C ATOM 927 O ASP A 60 41.364 8.230 19.339 1.00 25.76 O ATOM 928 CB ASP A 60 39.162 9.558 21.424 1.00 26.71 C ATOM 929 CG ASP A 60 38.100 9.347 22.485 1.00 27.60 C ATOM 930 OD1 ASP A 60 36.947 9.029 22.124 1.00 29.32 O ATOM 931 OD2 ASP A 60 38.412 9.490 23.681 1.00 31.13 O ATOM 932 HA ASP A 60 38.215 8.342 19.907 1.00 0.00 H ATOM 933 HB2 ASP A 60 40.136 9.614 21.909 1.00 0.00 H ATOM 934 HB3 ASP A 60 38.960 10.496 20.907 1.00 0.00 H ATOM 935 H ASP A 60 40.231 7.094 21.748 1.00 0.00 H ATOM 936 N GLN A 61 39.825 9.584 18.381 1.00 25.71 N ATOM 937 CA GLN A 61 40.702 10.050 17.308 1.00 25.36 C ATOM 938 C GLN A 61 41.354 8.910 16.520 1.00 25.57 C ATOM 939 O GLN A 61 42.563 8.924 16.240 1.00 26.06 O ATOM 940 CB GLN A 61 41.725 11.040 17.868 1.00 25.03 C ATOM 941 CG GLN A 61 41.079 12.249 18.518 1.00 26.08 C ATOM 942 CD GLN A 61 40.281 13.064 17.524 1.00 27.42 C ATOM 943 OE1 GLN A 61 40.679 13.203 16.365 1.00 28.10 O ATOM 944 NE2 GLN A 61 39.159 13.620 17.977 1.00 28.39 N ATOM 945 HA GLN A 61 40.084 10.570 16.576 1.00 0.00 H ATOM 946 HB2 GLN A 61 42.334 10.528 18.613 1.00 0.00 H ATOM 947 HB3 GLN A 61 42.362 11.382 17.052 1.00 0.00 H ATOM 948 HG2 GLN A 61 40.413 11.909 19.311 1.00 0.00 H ATOM 949 HG3 GLN A 61 41.859 12.879 18.945 1.00 0.00 H ATOM 950 HE22 GLN A 61 38.867 13.472 18.964 1.00 0.00 H ATOM 951 HE21 GLN A 61 38.575 14.202 17.344 1.00 0.00 H ATOM 952 H GLN A 61 38.847 9.936 18.415 1.00 0.00 H ATOM 953 N ILE A 62 40.523 7.938 16.150 1.00 24.83 N ATOM 954 CA ILE A 62 40.948 6.775 15.372 1.00 24.29 C ATOM 955 C ILE A 62 40.619 6.998 13.894 1.00 24.20 C ATOM 956 O ILE A 62 39.455 7.212 13.554 1.00 22.71 O ATOM 957 CB ILE A 62 40.208 5.494 15.833 1.00 24.87 C ATOM 958 CG1 ILE A 62 40.520 5.175 17.299 1.00 26.25 C ATOM 959 CG2 ILE A 62 40.525 4.332 14.907 1.00 24.55 C ATOM 960 CD1 ILE A 62 41.936 4.770 17.591 1.00 26.89 C ATOM 961 HA ILE A 62 42.021 6.650 15.521 1.00 0.00 H ATOM 962 HB ILE A 62 39.134 5.671 15.773 1.00 0.00 H ATOM 963 HG12 ILE A 62 40.297 6.063 17.890 1.00 0.00 H ATOM 964 HG13 ILE A 62 39.867 4.360 17.611 1.00 0.00 H ATOM 965 HD11 ILE A 62 42.180 3.872 17.024 1.00 0.00 H ATOM 966 HD12 ILE A 62 42.610 5.577 17.303 1.00 0.00 H ATOM 967 HD13 ILE A 62 42.042 4.568 18.657 1.00 0.00 H ATOM 968 HG21 ILE A 62 40.207 4.579 13.894 1.00 0.00 H ATOM 969 HG22 ILE A 62 41.599 4.144 14.917 1.00 0.00 H ATOM 970 HG23 ILE A 62 39.996 3.442 15.248 1.00 0.00 H ATOM 971 H ILE A 62 39.523 8.009 16.428 1.00 0.00 H ATOM 972 N PRO A 63 41.631 6.933 13.008 1.00 23.98 N ATOM 973 CA PRO A 63 41.358 6.977 11.573 1.00 23.95 C ATOM 974 C PRO A 63 40.676 5.704 11.080 1.00 24.75 C ATOM 975 O PRO A 63 41.079 4.583 11.419 1.00 24.26 O ATOM 976 CB PRO A 63 42.754 7.109 10.942 1.00 24.18 C ATOM 977 CG PRO A 63 43.648 7.496 12.036 1.00 24.22 C ATOM 978 CD PRO A 63 43.078 6.849 13.257 1.00 23.74 C ATOM 979 HA PRO A 63 40.681 7.791 11.313 1.00 0.00 H ATOM 980 HD3 PRO A 63 43.405 5.813 13.344 1.00 0.00 H ATOM 981 HD2 PRO A 63 43.356 7.394 14.159 1.00 0.00 H ATOM 982 HG3 PRO A 63 43.665 8.580 12.150 1.00 0.00 H ATOM 983 HG2 PRO A 63 44.659 7.135 11.849 1.00 0.00 H ATOM 984 HB2 PRO A 63 43.069 6.158 10.512 1.00 0.00 H ATOM 985 HB3 PRO A 63 42.750 7.874 10.165 1.00 0.00 H ATOM 986 N ILE A 64 39.650 5.892 10.263 1.00 25.59 N ATOM 987 CA ILE A 64 38.900 4.768 9.727 1.00 26.55 C ATOM 988 C ILE A 64 38.406 5.204 8.356 1.00 27.26 C ATOM 989 O ILE A 64 37.927 6.325 8.211 1.00 29.56 O ATOM 990 CB ILE A 64 37.748 4.382 10.674 1.00 27.15 C ATOM 991 CG1 ILE A 64 36.837 3.329 10.045 1.00 26.83 C ATOM 992 CG2 ILE A 64 36.936 5.604 11.120 1.00 29.39 C ATOM 993 CD1 ILE A 64 35.899 2.693 11.043 1.00 27.56 C ATOM 994 HA ILE A 64 39.516 3.873 9.636 1.00 0.00 H ATOM 995 HB ILE A 64 38.205 3.949 11.564 1.00 0.00 H ATOM 996 HG12 ILE A 64 36.244 3.804 9.263 1.00 0.00 H ATOM 997 HG13 ILE A 64 37.458 2.549 9.605 1.00 0.00 H ATOM 998 HD11 ILE A 64 36.480 2.206 11.826 1.00 0.00 H ATOM 999 HD12 ILE A 64 35.264 3.462 11.484 1.00 0.00 H ATOM 1000 HD13 ILE A 64 35.278 1.954 10.536 1.00 0.00 H ATOM 1001 HG21 ILE A 64 37.589 6.301 11.645 1.00 0.00 H ATOM 1002 HG22 ILE A 64 36.508 6.093 10.245 1.00 0.00 H ATOM 1003 HG23 ILE A 64 36.135 5.283 11.786 1.00 0.00 H ATOM 1004 H ILE A 64 39.376 6.860 10.001 1.00 0.00 H ATOM 1005 N GLU A 65 38.565 4.339 7.362 1.00 27.44 N ATOM 1006 CA GLU A 65 38.120 4.654 6.009 1.00 27.22 C ATOM 1007 C GLU A 65 36.888 3.812 5.711 1.00 26.63 C ATOM 1008 O GLU A 65 36.903 2.595 5.896 1.00 25.79 O ATOM 1009 CB GLU A 65 39.229 4.379 4.997 1.00 26.99 C ATOM 1010 CG GLU A 65 39.067 5.181 3.723 1.00 28.44 C ATOM 1011 CD GLU A 65 40.236 5.031 2.764 1.00 29.07 C ATOM 1012 OE1 GLU A 65 40.147 5.563 1.637 1.00 34.29 O ATOM 1013 OE2 GLU A 65 41.255 4.401 3.122 1.00 29.39 O ATOM 1014 HA GLU A 65 37.872 5.713 5.932 1.00 0.00 H ATOM 1015 HB2 GLU A 65 40.187 4.634 5.451 1.00 0.00 H ATOM 1016 HB3 GLU A 65 39.218 3.318 4.746 1.00 0.00 H ATOM 1017 HG2 GLU A 65 38.160 4.849 3.218 1.00 0.00 H ATOM 1018 HG3 GLU A 65 38.969 6.234 3.987 1.00 0.00 H ATOM 1019 H GLU A 65 39.015 3.421 7.551 1.00 0.00 H ATOM 1020 N ILE A 66 35.835 4.478 5.249 1.00 26.09 N ATOM 1021 CA ILE A 66 34.536 3.854 5.031 1.00 26.44 C ATOM 1022 C ILE A 66 34.201 3.998 3.546 1.00 25.96 C ATOM 1023 O ILE A 66 33.882 5.084 3.082 1.00 25.25 O ATOM 1024 CB ILE A 66 33.451 4.557 5.878 1.00 26.48 C ATOM 1025 CG1 ILE A 66 33.798 4.494 7.372 1.00 27.19 C ATOM 1026 CG2 ILE A 66 32.078 3.937 5.597 1.00 26.40 C ATOM 1027 CD1 ILE A 66 33.238 5.641 8.173 1.00 28.08 C ATOM 1028 HA ILE A 66 34.568 2.805 5.325 1.00 0.00 H ATOM 1029 HB ILE A 66 33.413 5.609 5.595 1.00 0.00 H ATOM 1030 HG12 ILE A 66 33.401 3.564 7.779 1.00 0.00 H ATOM 1031 HG13 ILE A 66 34.883 4.500 7.474 1.00 0.00 H ATOM 1032 HD11 ILE A 66 33.634 6.580 7.787 1.00 0.00 H ATOM 1033 HD12 ILE A 66 32.151 5.643 8.092 1.00 0.00 H ATOM 1034 HD13 ILE A 66 33.525 5.527 9.218 1.00 0.00 H ATOM 1035 HG21 ILE A 66 31.838 4.053 4.540 1.00 0.00 H ATOM 1036 HG22 ILE A 66 32.100 2.877 5.852 1.00 0.00 H ATOM 1037 HG23 ILE A 66 31.323 4.441 6.200 1.00 0.00 H ATOM 1038 H ILE A 66 35.943 5.490 5.033 1.00 0.00 H ATOM 1039 N CYS A 67 34.272 2.912 2.781 1.00 26.82 N ATOM 1040 CA CYS A 67 34.102 3.031 1.332 1.00 27.96 C ATOM 1041 C CYS A 67 35.016 4.066 0.686 1.00 27.98 C ATOM 1042 O CYS A 67 34.606 4.769 -0.243 1.00 29.36 O ATOM 1043 CB CYS A 67 32.655 3.381 0.990 1.00 28.71 C ATOM 1044 SG CYS A 67 31.562 2.051 1.340 1.00 34.41 S ATOM 1045 HA CYS A 67 34.375 2.056 0.928 1.00 0.00 H ATOM 1046 HB2 CYS A 67 32.591 3.621 -0.071 1.00 0.00 H ATOM 1047 HB3 CYS A 67 32.354 4.249 1.576 1.00 0.00 H ATOM 1048 HG CYS A 67 30.273 2.419 1.014 1.00 0.00 H ATOM 1049 H CYS A 67 34.448 1.982 3.211 1.00 0.00 H ATOM 1050 N GLY A 68 36.246 4.172 1.176 1.00 27.68 N ATOM 1051 CA GLY A 68 37.199 5.112 0.606 1.00 27.23 C ATOM 1052 C GLY A 68 37.003 6.553 1.038 1.00 27.36 C ATOM 1053 O GLY A 68 37.648 7.450 0.497 1.00 27.84 O ATOM 1054 HA3 GLY A 68 37.112 5.068 -0.480 1.00 0.00 H ATOM 1055 HA2 GLY A 68 38.201 4.802 0.902 1.00 0.00 H ATOM 1056 H GLY A 68 36.532 3.575 1.978 1.00 0.00 H ATOM 1057 N HIS A 69 36.121 6.779 2.009 1.00 26.15 N ATOM 1058 CA HIS A 69 35.914 8.099 2.586 1.00 25.99 C ATOM 1059 C HIS A 69 36.548 8.084 3.967 1.00 25.44 C ATOM 1060 O HIS A 69 36.252 7.206 4.783 1.00 24.73 O ATOM 1061 CB HIS A 69 34.420 8.422 2.685 1.00 26.31 C ATOM 1062 CG HIS A 69 33.773 8.664 1.356 1.00 27.04 C ATOM 1063 ND1 HIS A 69 33.551 9.928 0.851 1.00 28.76 N ATOM 1064 CD2 HIS A 69 33.314 7.800 0.420 1.00 28.70 C ATOM 1065 CE1 HIS A 69 32.983 9.831 -0.338 1.00 29.94 C ATOM 1066 NE2 HIS A 69 32.825 8.550 -0.623 1.00 28.78 N ATOM 1067 HA HIS A 69 36.366 8.867 1.958 1.00 0.00 H ATOM 1068 HB2 HIS A 69 33.916 7.584 3.167 1.00 0.00 H ATOM 1069 HB3 HIS A 69 34.300 9.317 3.296 1.00 0.00 H ATOM 1070 HD2 HIS A 69 33.329 6.712 0.482 1.00 0.00 H ATOM 1071 HE1 HIS A 69 32.694 10.666 -0.976 1.00 0.00 H ATOM 1072 H HIS A 69 35.558 5.982 2.369 1.00 0.00 H ATOM 1073 N LYS A 70 37.427 9.048 4.222 1.00 25.35 N ATOM 1074 CA LYS A 70 38.160 9.080 5.474 1.00 25.90 C ATOM 1075 C LYS A 70 37.406 9.775 6.598 1.00 25.24 C ATOM 1076 O LYS A 70 36.742 10.796 6.397 1.00 26.98 O ATOM 1077 CB LYS A 70 39.518 9.741 5.279 1.00 26.78 C ATOM 1078 CG LYS A 70 40.422 8.906 4.404 1.00 27.95 C ATOM 1079 CD LYS A 70 41.756 9.579 4.219 1.00 28.87 C ATOM 1080 CE LYS A 70 42.817 8.570 3.819 1.00 30.57 C ATOM 1081 NZ LYS A 70 44.103 9.274 3.568 1.00 31.76 N ATOM 1082 HA LYS A 70 38.290 8.041 5.776 1.00 0.00 H ATOM 1083 HB2 LYS A 70 39.374 10.715 4.812 1.00 0.00 H ATOM 1084 HB3 LYS A 70 39.991 9.873 6.252 1.00 0.00 H ATOM 1085 HG2 LYS A 70 40.574 7.933 4.872 1.00 0.00 H ATOM 1086 HG3 LYS A 70 39.952 8.770 3.430 1.00 0.00 H ATOM 1087 HD2 LYS A 70 41.670 10.336 3.439 1.00 0.00 H ATOM 1088 HD3 LYS A 70 42.049 10.055 5.155 1.00 0.00 H ATOM 1089 HE2 LYS A 70 42.503 8.053 2.913 1.00 0.00 H ATOM 1090 HE3 LYS A 70 42.950 7.845 4.622 1.00 0.00 H ATOM 1091 HZ1 LYS A 70 43.975 9.965 2.801 1.00 0.00 H ATOM 1092 HZ2 LYS A 70 44.402 9.767 4.434 1.00 0.00 H ATOM 1093 HZ3 LYS A 70 44.828 8.581 3.294 1.00 0.00 H ATOM 1094 H LYS A 70 37.592 9.791 3.513 1.00 0.00 H ATOM 1095 N ALA A 71 37.518 9.172 7.776 1.00 24.32 N ATOM 1096 CA ALA A 71 37.014 9.718 9.025 1.00 23.66 C ATOM 1097 C ALA A 71 38.102 9.574 10.090 1.00 23.15 C ATOM 1098 O ALA A 71 39.005 8.739 9.981 1.00 22.42 O ATOM 1099 CB ALA A 71 35.763 8.954 9.447 1.00 23.47 C ATOM 1100 HA ALA A 71 36.756 10.770 8.902 1.00 0.00 H ATOM 1101 HB1 ALA A 71 35.001 9.052 8.674 1.00 0.00 H ATOM 1102 HB2 ALA A 71 36.011 7.901 9.584 1.00 0.00 H ATOM 1103 HB3 ALA A 71 35.387 9.365 10.384 1.00 0.00 H ATOM 1104 H ALA A 71 37.997 8.250 7.807 1.00 0.00 H ATOM 1105 N ILE A 72 38.034 10.419 11.113 1.00 22.53 N ATOM 1106 CA ILE A 72 38.886 10.290 12.283 1.00 22.75 C ATOM 1107 C ILE A 72 38.004 10.608 13.475 1.00 22.70 C ATOM 1108 O ILE A 72 37.559 11.744 13.632 1.00 22.17 O ATOM 1109 CB ILE A 72 40.094 11.260 12.297 1.00 22.85 C ATOM 1110 CG1 ILE A 72 40.859 11.192 10.972 1.00 21.75 C ATOM 1111 CG2 ILE A 72 40.991 10.953 13.491 1.00 22.20 C ATOM 1112 CD1 ILE A 72 41.898 12.274 10.831 1.00 21.50 C ATOM 1113 HA ILE A 72 39.308 9.285 12.294 1.00 0.00 H ATOM 1114 HB ILE A 72 39.733 12.283 12.404 1.00 0.00 H ATOM 1115 HG12 ILE A 72 41.356 10.224 10.907 1.00 0.00 H ATOM 1116 HG13 ILE A 72 40.145 11.288 10.154 1.00 0.00 H ATOM 1117 HD11 ILE A 72 41.414 13.249 10.883 1.00 0.00 H ATOM 1118 HD12 ILE A 72 42.626 12.184 11.637 1.00 0.00 H ATOM 1119 HD13 ILE A 72 42.403 12.168 9.871 1.00 0.00 H ATOM 1120 HG21 ILE A 72 40.421 11.074 14.412 1.00 0.00 H ATOM 1121 HG22 ILE A 72 41.353 9.927 13.418 1.00 0.00 H ATOM 1122 HG23 ILE A 72 41.838 11.639 13.494 1.00 0.00 H ATOM 1123 H ILE A 72 37.348 11.199 11.075 1.00 0.00 H ATOM 1124 N GLY A 73 37.711 9.602 14.287 1.00 23.38 N ATOM 1125 CA GLY A 73 36.778 9.816 15.378 1.00 23.40 C ATOM 1126 C GLY A 73 36.763 8.664 16.357 1.00 23.83 C ATOM 1127 O GLY A 73 37.677 7.832 16.380 1.00 24.01 O ATOM 1128 HA3 GLY A 73 35.777 9.937 14.964 1.00 0.00 H ATOM 1129 HA2 GLY A 73 37.063 10.724 15.910 1.00 0.00 H ATOM 1130 H GLY A 73 38.146 8.668 14.144 1.00 0.00 H ATOM 1131 N THR A 74 35.699 8.636 17.150 1.00 24.10 N ATOM 1132 CA THR A 74 35.599 7.691 18.249 1.00 23.49 C ATOM 1133 C THR A 74 35.057 6.345 17.784 1.00 23.82 C ATOM 1134 O THR A 74 34.045 6.275 17.092 1.00 23.45 O ATOM 1135 CB THR A 74 34.717 8.252 19.370 1.00 24.11 C ATOM 1136 OG1 THR A 74 35.281 9.474 19.854 1.00 24.50 O ATOM 1137 CG2 THR A 74 34.586 7.251 20.508 1.00 24.12 C ATOM 1138 HA THR A 74 36.606 7.536 18.635 1.00 0.00 H ATOM 1139 HB THR A 74 33.721 8.443 18.970 1.00 0.00 H ATOM 1140 HG1 THR A 74 36.190 9.300 20.204 1.00 0.00 H ATOM 1141 HG23 THR A 74 34.156 6.325 20.128 1.00 0.00 H ATOM 1142 HG21 THR A 74 35.571 7.050 20.928 1.00 0.00 H ATOM 1143 HG22 THR A 74 33.938 7.664 21.281 1.00 0.00 H ATOM 1144 H THR A 74 34.921 9.305 16.981 1.00 0.00 H ATOM 1145 N VAL A 75 35.751 5.284 18.184 1.00 22.73 N ATOM 1146 CA VAL A 75 35.367 3.922 17.872 1.00 22.73 C ATOM 1147 C VAL A 75 35.259 3.187 19.201 1.00 22.19 C ATOM 1148 O VAL A 75 36.192 3.188 20.012 1.00 22.35 O ATOM 1149 CB VAL A 75 36.407 3.237 16.960 1.00 22.61 C ATOM 1150 CG1 VAL A 75 36.051 1.785 16.710 1.00 23.58 C ATOM 1151 CG2 VAL A 75 36.540 4.000 15.634 1.00 23.68 C ATOM 1152 HA VAL A 75 34.421 3.907 17.330 1.00 0.00 H ATOM 1153 HB VAL A 75 37.369 3.257 17.472 1.00 0.00 H ATOM 1154 HG11 VAL A 75 36.018 1.252 17.660 1.00 0.00 H ATOM 1155 HG12 VAL A 75 35.076 1.729 16.227 1.00 0.00 H ATOM 1156 HG13 VAL A 75 36.804 1.334 16.064 1.00 0.00 H ATOM 1157 HG21 VAL A 75 35.576 4.014 15.126 1.00 0.00 H ATOM 1158 HG22 VAL A 75 36.861 5.022 15.835 1.00 0.00 H ATOM 1159 HG23 VAL A 75 37.277 3.504 15.003 1.00 0.00 H ATOM 1160 H VAL A 75 36.611 5.439 18.748 1.00 0.00 H ATOM 1161 N LEU A 76 34.094 2.587 19.431 1.00 21.15 N ATOM 1162 CA LEU A 76 33.871 1.748 20.600 1.00 20.66 C ATOM 1163 C LEU A 76 34.129 0.302 20.194 1.00 20.72 C ATOM 1164 O LEU A 76 33.807 -0.089 19.072 1.00 21.15 O ATOM 1165 CB LEU A 76 32.423 1.890 21.087 1.00 20.11 C ATOM 1166 CG LEU A 76 31.962 3.328 21.352 1.00 21.55 C ATOM 1167 CD1 LEU A 76 30.547 3.362 21.917 1.00 21.73 C ATOM 1168 CD2 LEU A 76 32.928 4.040 22.303 1.00 21.13 C ATOM 1169 HA LEU A 76 34.538 2.049 21.408 1.00 0.00 H ATOM 1170 HB2 LEU A 76 31.768 1.460 20.329 1.00 0.00 H ATOM 1171 HB3 LEU A 76 32.322 1.327 22.015 1.00 0.00 H ATOM 1172 HG LEU A 76 31.958 3.853 20.397 1.00 0.00 H ATOM 1173 HD21 LEU A 76 32.966 3.502 23.250 1.00 0.00 H ATOM 1174 HD22 LEU A 76 33.922 4.065 21.857 1.00 0.00 H ATOM 1175 HD23 LEU A 76 32.581 5.058 22.476 1.00 0.00 H ATOM 1176 HD11 LEU A 76 29.861 2.904 21.204 1.00 0.00 H ATOM 1177 HD12 LEU A 76 30.519 2.810 22.856 1.00 0.00 H ATOM 1178 HD13 LEU A 76 30.252 4.397 22.093 1.00 0.00 H ATOM 1179 H LEU A 76 33.317 2.722 18.753 1.00 0.00 H ATOM 1180 N VAL A 77 34.681 -0.484 21.110 1.00 19.94 N ATOM 1181 CA VAL A 77 35.037 -1.869 20.831 1.00 20.36 C ATOM 1182 C VAL A 77 34.504 -2.757 21.947 1.00 20.22 C ATOM 1183 O VAL A 77 34.719 -2.501 23.134 1.00 20.52 O ATOM 1184 CB VAL A 77 36.562 -2.051 20.717 1.00 20.81 C ATOM 1185 CG1 VAL A 77 36.903 -3.532 20.535 1.00 22.61 C ATOM 1186 CG2 VAL A 77 37.104 -1.198 19.557 1.00 20.50 C ATOM 1187 HA VAL A 77 34.592 -2.149 19.876 1.00 0.00 H ATOM 1188 HB VAL A 77 37.040 -1.712 21.636 1.00 0.00 H ATOM 1189 HG11 VAL A 77 36.538 -4.096 21.394 1.00 0.00 H ATOM 1190 HG12 VAL A 77 36.429 -3.904 19.627 1.00 0.00 H ATOM 1191 HG13 VAL A 77 37.984 -3.648 20.456 1.00 0.00 H ATOM 1192 HG21 VAL A 77 36.633 -1.512 18.626 1.00 0.00 H ATOM 1193 HG22 VAL A 77 36.879 -0.148 19.744 1.00 0.00 H ATOM 1194 HG23 VAL A 77 38.183 -1.332 19.483 1.00 0.00 H ATOM 1195 H VAL A 77 34.866 -0.099 22.058 1.00 0.00 H ATOM 1196 N GLY A 78 33.816 -3.817 21.547 1.00 19.48 N ATOM 1197 CA GLY A 78 33.226 -4.717 22.507 1.00 20.44 C ATOM 1198 C GLY A 78 32.433 -5.813 21.834 1.00 20.47 C ATOM 1199 O GLY A 78 32.463 -5.970 20.608 1.00 20.55 O ATOM 1200 HA3 GLY A 78 32.562 -4.151 23.160 1.00 0.00 H ATOM 1201 HA2 GLY A 78 34.020 -5.169 23.101 1.00 0.00 H ATOM 1202 H GLY A 78 33.700 -4.002 20.530 1.00 0.00 H ATOM 1203 N PRO A 79 31.710 -6.580 22.652 1.00 20.75 N ATOM 1204 CA PRO A 79 31.003 -7.765 22.212 1.00 20.82 C ATOM 1205 C PRO A 79 29.677 -7.395 21.546 1.00 20.62 C ATOM 1206 O PRO A 79 28.608 -7.791 22.001 1.00 21.85 O ATOM 1207 CB PRO A 79 30.823 -8.539 23.517 1.00 20.46 C ATOM 1208 CG PRO A 79 30.653 -7.467 24.541 1.00 21.63 C ATOM 1209 CD PRO A 79 31.554 -6.351 24.101 1.00 21.52 C ATOM 1210 HA PRO A 79 31.525 -8.347 21.453 1.00 0.00 H ATOM 1211 HD3 PRO A 79 31.096 -5.381 24.295 1.00 0.00 H ATOM 1212 HD2 PRO A 79 32.517 -6.404 24.609 1.00 0.00 H ATOM 1213 HG3 PRO A 79 30.947 -7.830 25.526 1.00 0.00 H ATOM 1214 HG2 PRO A 79 29.617 -7.131 24.574 1.00 0.00 H ATOM 1215 HB2 PRO A 79 29.941 -9.178 23.472 1.00 0.00 H ATOM 1216 HB3 PRO A 79 31.701 -9.148 23.733 1.00 0.00 H ATOM 1217 N THR A 80 29.764 -6.629 20.464 1.00 21.12 N ATOM 1218 CA THR A 80 28.580 -6.219 19.724 1.00 20.11 C ATOM 1219 C THR A 80 28.132 -7.351 18.810 1.00 19.60 C ATOM 1220 O THR A 80 28.961 -8.072 18.244 1.00 19.86 O ATOM 1221 CB THR A 80 28.833 -4.980 18.853 1.00 20.83 C ATOM 1222 OG1 THR A 80 27.673 -4.729 18.055 1.00 20.10 O ATOM 1223 CG2 THR A 80 30.035 -5.183 17.950 1.00 21.16 C ATOM 1224 HA THR A 80 27.815 -5.975 20.461 1.00 0.00 H ATOM 1225 HB THR A 80 29.037 -4.130 19.504 1.00 0.00 H ATOM 1226 HG1 THR A 80 27.829 -3.931 17.490 1.00 0.00 H ATOM 1227 HG23 THR A 80 30.918 -5.374 18.560 1.00 0.00 H ATOM 1228 HG21 THR A 80 29.855 -6.034 17.293 1.00 0.00 H ATOM 1229 HG22 THR A 80 30.193 -4.286 17.351 1.00 0.00 H ATOM 1230 H THR A 80 30.700 -6.315 20.138 1.00 0.00 H ATOM 1231 N PRO A 81 26.808 -7.529 18.667 1.00 19.12 N ATOM 1232 CA PRO A 81 26.352 -8.505 17.681 1.00 19.64 C ATOM 1233 C PRO A 81 26.634 -8.167 16.229 1.00 20.39 C ATOM 1234 O PRO A 81 26.476 -9.042 15.375 1.00 21.88 O ATOM 1235 CB PRO A 81 24.835 -8.562 17.911 1.00 18.93 C ATOM 1236 CG PRO A 81 24.636 -8.012 19.261 1.00 19.44 C ATOM 1237 CD PRO A 81 25.676 -6.954 19.410 1.00 20.04 C ATOM 1238 HA PRO A 81 26.890 -9.442 17.826 1.00 0.00 H ATOM 1239 HD3 PRO A 81 25.349 -6.013 18.968 1.00 0.00 H ATOM 1240 HD2 PRO A 81 25.930 -6.793 20.458 1.00 0.00 H ATOM 1241 HG3 PRO A 81 24.770 -8.789 20.014 1.00 0.00 H ATOM 1242 HG2 PRO A 81 23.638 -7.584 19.356 1.00 0.00 H ATOM 1243 HB2 PRO A 81 24.311 -7.958 17.170 1.00 0.00 H ATOM 1244 HB3 PRO A 81 24.477 -9.590 17.859 1.00 0.00 H ATOM 1245 N ALA A 82 27.015 -6.920 15.954 1.00 19.98 N ATOM 1246 CA ALA A 82 27.277 -6.486 14.590 1.00 19.98 C ATOM 1247 C ALA A 82 28.229 -5.304 14.612 1.00 19.85 C ATOM 1248 O ALA A 82 28.100 -4.425 15.460 1.00 20.22 O ATOM 1249 CB ALA A 82 25.996 -6.079 13.924 1.00 20.51 C ATOM 1250 HA ALA A 82 27.723 -7.310 14.033 1.00 0.00 H ATOM 1251 HB1 ALA A 82 25.312 -6.928 13.905 1.00 0.00 H ATOM 1252 HB2 ALA A 82 25.543 -5.258 14.481 1.00 0.00 H ATOM 1253 HB3 ALA A 82 26.205 -5.756 12.904 1.00 0.00 H ATOM 1254 H ALA A 82 27.128 -6.240 16.733 1.00 0.00 H ATOM 1255 N ASN A 83 29.172 -5.278 13.673 1.00 19.06 N ATOM 1256 CA ASN A 83 29.983 -4.079 13.461 1.00 19.54 C ATOM 1257 C ASN A 83 29.087 -2.983 12.909 1.00 19.80 C ATOM 1258 O ASN A 83 28.390 -3.207 11.910 1.00 19.71 O ATOM 1259 CB ASN A 83 31.071 -4.312 12.417 1.00 19.65 C ATOM 1260 CG ASN A 83 32.238 -5.145 12.917 1.00 20.85 C ATOM 1261 OD1 ASN A 83 32.485 -5.272 14.124 1.00 22.52 O ATOM 1262 ND2 ASN A 83 32.967 -5.722 11.972 1.00 22.15 N ATOM 1263 HA ASN A 83 30.439 -3.814 14.415 1.00 0.00 H ATOM 1264 HB2 ASN A 83 30.625 -4.824 11.564 1.00 0.00 H ATOM 1265 HB3 ASN A 83 31.453 -3.343 12.098 1.00 0.00 H ATOM 1266 HD22 ASN A 83 32.721 -5.587 10.971 1.00 0.00 H ATOM 1267 HD21 ASN A 83 33.785 -6.310 12.232 1.00 0.00 H ATOM 1268 H ASN A 83 29.334 -6.119 13.084 1.00 0.00 H ATOM 1269 N ILE A 84 29.150 -1.809 13.538 1.00 19.34 N ATOM 1270 CA ILE A 84 28.186 -0.727 13.354 1.00 19.48 C ATOM 1271 C ILE A 84 28.925 0.587 13.155 1.00 19.39 C ATOM 1272 O ILE A 84 29.717 0.972 14.011 1.00 19.86 O ATOM 1273 CB ILE A 84 27.314 -0.601 14.637 1.00 19.37 C ATOM 1274 CG1 ILE A 84 26.298 -1.752 14.712 1.00 20.49 C ATOM 1275 CG2 ILE A 84 26.612 0.746 14.744 1.00 20.64 C ATOM 1276 CD1 ILE A 84 25.753 -2.012 16.102 1.00 21.03 C ATOM 1277 HA ILE A 84 27.565 -0.944 12.485 1.00 0.00 H ATOM 1278 HB ILE A 84 27.992 -0.667 15.488 1.00 0.00 H ATOM 1279 HG12 ILE A 84 25.461 -1.513 14.056 1.00 0.00 H ATOM 1280 HG13 ILE A 84 26.785 -2.661 14.360 1.00 0.00 H ATOM 1281 HD11 ILE A 84 26.575 -2.267 16.771 1.00 0.00 H ATOM 1282 HD12 ILE A 84 25.250 -1.117 16.467 1.00 0.00 H ATOM 1283 HD13 ILE A 84 25.044 -2.839 16.064 1.00 0.00 H ATOM 1284 HG21 ILE A 84 27.357 1.542 14.768 1.00 0.00 H ATOM 1285 HG22 ILE A 84 25.959 0.883 13.882 1.00 0.00 H ATOM 1286 HG23 ILE A 84 26.020 0.774 15.659 1.00 0.00 H ATOM 1287 H ILE A 84 29.935 -1.654 14.202 1.00 0.00 H ATOM 1288 N ILE A 85 28.633 1.266 12.049 1.00 19.06 N ATOM 1289 CA ILE A 85 29.064 2.642 11.815 1.00 18.68 C ATOM 1290 C ILE A 85 27.907 3.568 12.183 1.00 18.12 C ATOM 1291 O ILE A 85 26.881 3.578 11.502 1.00 19.34 O ATOM 1292 CB ILE A 85 29.482 2.894 10.341 1.00 18.93 C ATOM 1293 CG1 ILE A 85 30.503 1.837 9.892 1.00 19.30 C ATOM 1294 CG2 ILE A 85 30.025 4.299 10.181 1.00 20.31 C ATOM 1295 CD1 ILE A 85 31.784 1.793 10.708 1.00 20.87 C ATOM 1296 HA ILE A 85 29.943 2.836 12.430 1.00 0.00 H ATOM 1297 HB ILE A 85 28.605 2.804 9.700 1.00 0.00 H ATOM 1298 HG12 ILE A 85 30.027 0.858 9.956 1.00 0.00 H ATOM 1299 HG13 ILE A 85 30.769 2.043 8.855 1.00 0.00 H ATOM 1300 HD11 ILE A 85 32.286 2.759 10.646 1.00 0.00 H ATOM 1301 HD12 ILE A 85 31.543 1.573 11.748 1.00 0.00 H ATOM 1302 HD13 ILE A 85 32.438 1.016 10.313 1.00 0.00 H ATOM 1303 HG21 ILE A 85 29.256 5.019 10.461 1.00 0.00 H ATOM 1304 HG22 ILE A 85 30.895 4.426 10.825 1.00 0.00 H ATOM 1305 HG23 ILE A 85 30.313 4.460 9.142 1.00 0.00 H ATOM 1306 H ILE A 85 28.069 0.793 11.314 1.00 0.00 H ATOM 1307 N GLY A 86 28.061 4.306 13.276 1.00 18.52 N ATOM 1308 CA GLY A 86 27.013 5.204 13.744 1.00 18.17 C ATOM 1309 C GLY A 86 27.187 6.634 13.271 1.00 18.61 C ATOM 1310 O GLY A 86 28.113 6.979 12.516 1.00 19.56 O ATOM 1311 HA3 GLY A 86 27.014 5.198 14.834 1.00 0.00 H ATOM 1312 HA2 GLY A 86 26.054 4.834 13.381 1.00 0.00 H ATOM 1313 H GLY A 86 28.951 4.242 13.811 1.00 0.00 H ATOM 1314 N ARG A 87 26.291 7.494 13.752 1.00 18.91 N ATOM 1315 CA ARG A 87 26.187 8.864 13.241 1.00 18.96 C ATOM 1316 C ARG A 87 27.449 9.687 13.434 1.00 19.48 C ATOM 1317 O ARG A 87 27.734 10.589 12.632 1.00 20.94 O ATOM 1318 CB ARG A 87 24.994 9.594 13.860 1.00 19.09 C ATOM 1319 CG ARG A 87 23.678 8.996 13.403 1.00 19.18 C ATOM 1320 CD ARG A 87 22.470 9.793 13.869 1.00 19.28 C ATOM 1321 NE ARG A 87 22.387 9.862 15.330 1.00 19.44 N ATOM 1322 CZ ARG A 87 22.821 10.874 16.084 1.00 21.20 C ATOM 1323 NH1 ARG A 87 23.369 11.977 15.578 1.00 21.09 N ATOM 1324 NH2 ARG A 87 22.697 10.788 17.398 1.00 19.72 N ATOM 1325 HA ARG A 87 26.038 8.761 12.166 1.00 0.00 H ATOM 1326 HB2 ARG A 87 25.058 9.521 14.946 1.00 0.00 H ATOM 1327 HB3 ARG A 87 25.028 10.643 13.565 1.00 0.00 H ATOM 1328 HG2 ARG A 87 23.672 8.960 12.314 1.00 0.00 H ATOM 1329 HG3 ARG A 87 23.600 7.983 13.799 1.00 0.00 H ATOM 1330 HD2 ARG A 87 21.566 9.318 13.487 1.00 0.00 H ATOM 1331 HD3 ARG A 87 22.542 10.806 13.472 1.00 0.00 H ATOM 1332 HE ARG A 87 21.953 9.054 15.821 1.00 0.00 H ATOM 1333 HH12 ARG A 87 23.691 12.736 16.212 1.00 0.00 H ATOM 1334 HH11 ARG A 87 23.475 12.080 14.549 1.00 0.00 H ATOM 1335 HH22 ARG A 87 23.029 11.566 18.004 1.00 0.00 H ATOM 1336 HH21 ARG A 87 22.268 9.943 17.826 1.00 0.00 H ATOM 1337 H ARG A 87 25.649 7.186 14.510 1.00 0.00 H ATOM 1338 N ASN A 88 28.206 9.379 14.485 1.00 20.14 N ATOM 1339 CA ASN A 88 29.452 10.106 14.725 1.00 19.52 C ATOM 1340 C ASN A 88 30.374 10.063 13.506 1.00 19.72 C ATOM 1341 O ASN A 88 31.024 11.074 13.205 1.00 20.51 O ATOM 1342 CB ASN A 88 30.171 9.638 15.992 1.00 20.07 C ATOM 1343 CG ASN A 88 30.786 8.273 15.846 1.00 19.46 C ATOM 1344 OD1 ASN A 88 30.105 7.322 15.468 1.00 20.28 O ATOM 1345 ND2 ASN A 88 32.083 8.167 16.157 1.00 19.58 N ATOM 1346 HA ASN A 88 29.175 11.147 14.892 1.00 0.00 H ATOM 1347 HB2 ASN A 88 30.960 10.352 16.228 1.00 0.00 H ATOM 1348 HB3 ASN A 88 29.451 9.610 16.810 1.00 0.00 H ATOM 1349 HD22 ASN A 88 32.612 9.005 16.472 1.00 0.00 H ATOM 1350 HD21 ASN A 88 32.562 7.247 16.084 1.00 0.00 H ATOM 1351 H ASN A 88 27.912 8.622 15.135 1.00 0.00 H ATOM 1352 N LEU A 89 30.411 8.926 12.804 1.00 19.05 N ATOM 1353 CA LEU A 89 31.230 8.802 11.605 1.00 19.16 C ATOM 1354 C LEU A 89 30.430 8.988 10.309 1.00 19.56 C ATOM 1355 O LEU A 89 30.987 9.461 9.326 1.00 19.67 O ATOM 1356 CB LEU A 89 32.010 7.484 11.578 1.00 19.05 C ATOM 1357 CG LEU A 89 32.903 7.186 12.787 1.00 20.10 C ATOM 1358 CD1 LEU A 89 33.659 5.885 12.549 1.00 21.41 C ATOM 1359 CD2 LEU A 89 33.865 8.349 13.045 1.00 20.00 C ATOM 1360 HA LEU A 89 31.948 9.620 11.654 1.00 0.00 H ATOM 1361 HB2 LEU A 89 31.286 6.673 11.494 1.00 0.00 H ATOM 1362 HB3 LEU A 89 32.646 7.494 10.693 1.00 0.00 H ATOM 1363 HG LEU A 89 32.283 7.072 13.676 1.00 0.00 H ATOM 1364 HD21 LEU A 89 34.495 8.499 12.168 1.00 0.00 H ATOM 1365 HD22 LEU A 89 33.293 9.255 13.242 1.00 0.00 H ATOM 1366 HD23 LEU A 89 34.490 8.117 13.907 1.00 0.00 H ATOM 1367 HD11 LEU A 89 32.946 5.072 12.413 1.00 0.00 H ATOM 1368 HD12 LEU A 89 34.276 5.983 11.655 1.00 0.00 H ATOM 1369 HD13 LEU A 89 34.294 5.673 13.409 1.00 0.00 H ATOM 1370 H LEU A 89 29.844 8.113 13.120 1.00 0.00 H ATOM 1371 N LEU A 90 29.146 8.632 10.293 1.00 20.11 N ATOM 1372 CA LEU A 90 28.325 8.884 9.104 1.00 19.94 C ATOM 1373 C LEU A 90 28.320 10.368 8.738 1.00 20.09 C ATOM 1374 O LEU A 90 28.397 10.727 7.567 1.00 20.39 O ATOM 1375 CB LEU A 90 26.884 8.390 9.280 1.00 20.61 C ATOM 1376 CG LEU A 90 26.751 6.882 9.502 1.00 21.09 C ATOM 1377 CD1 LEU A 90 25.310 6.529 9.807 1.00 23.91 C ATOM 1378 CD2 LEU A 90 27.262 6.087 8.310 1.00 21.53 C ATOM 1379 HA LEU A 90 28.779 8.318 8.291 1.00 0.00 H ATOM 1380 HB2 LEU A 90 26.452 8.900 10.141 1.00 0.00 H ATOM 1381 HB3 LEU A 90 26.322 8.653 8.384 1.00 0.00 H ATOM 1382 HG LEU A 90 27.372 6.612 10.356 1.00 0.00 H ATOM 1383 HD21 LEU A 90 26.687 6.355 7.423 1.00 0.00 H ATOM 1384 HD22 LEU A 90 28.315 6.317 8.146 1.00 0.00 H ATOM 1385 HD23 LEU A 90 27.149 5.022 8.510 1.00 0.00 H ATOM 1386 HD11 LEU A 90 24.991 7.054 10.707 1.00 0.00 H ATOM 1387 HD12 LEU A 90 24.679 6.826 8.969 1.00 0.00 H ATOM 1388 HD13 LEU A 90 25.226 5.454 9.963 1.00 0.00 H ATOM 1389 H LEU A 90 28.725 8.174 11.126 1.00 0.00 H ATOM 1390 N THR A 91 28.244 11.224 9.751 1.00 20.66 N ATOM 1391 CA THR A 91 28.313 12.660 9.513 1.00 20.55 C ATOM 1392 C THR A 91 29.678 13.081 8.961 1.00 20.48 C ATOM 1393 O THR A 91 29.755 13.999 8.138 1.00 21.07 O ATOM 1394 CB THR A 91 28.005 13.457 10.784 1.00 21.72 C ATOM 1395 OG1 THR A 91 28.884 13.049 11.838 1.00 20.75 O ATOM 1396 CG2 THR A 91 26.552 13.280 11.189 1.00 21.95 C ATOM 1397 HA THR A 91 27.553 12.885 8.765 1.00 0.00 H ATOM 1398 HB THR A 91 28.168 14.516 10.585 1.00 0.00 H ATOM 1399 HG1 THR A 91 28.756 12.084 12.017 1.00 0.00 H ATOM 1400 HG23 THR A 91 25.907 13.597 10.370 1.00 0.00 H ATOM 1401 HG21 THR A 91 26.364 12.230 11.415 1.00 0.00 H ATOM 1402 HG22 THR A 91 26.346 13.886 12.072 1.00 0.00 H ATOM 1403 H THR A 91 28.134 10.867 10.721 1.00 0.00 H ATOM 1404 N GLN A 92 30.751 12.430 9.411 1.00 20.12 N ATOM 1405 CA GLN A 92 32.079 12.807 8.912 1.00 20.65 C ATOM 1406 C GLN A 92 32.230 12.531 7.429 1.00 20.88 C ATOM 1407 O GLN A 92 32.961 13.248 6.743 1.00 22.46 O ATOM 1408 CB GLN A 92 33.201 12.098 9.654 1.00 20.19 C ATOM 1409 CG GLN A 92 33.418 12.614 11.059 1.00 20.95 C ATOM 1410 CD GLN A 92 34.791 12.287 11.613 1.00 20.50 C ATOM 1411 OE1 GLN A 92 35.719 12.003 10.869 1.00 20.67 O ATOM 1412 NE2 GLN A 92 34.922 12.330 12.934 1.00 21.07 N ATOM 1413 HA GLN A 92 32.159 13.879 9.090 1.00 0.00 H ATOM 1414 HB2 GLN A 92 32.961 11.036 9.710 1.00 0.00 H ATOM 1415 HB3 GLN A 92 34.125 12.231 9.091 1.00 0.00 H ATOM 1416 HG2 GLN A 92 33.296 13.697 11.053 1.00 0.00 H ATOM 1417 HG3 GLN A 92 32.667 12.169 11.711 1.00 0.00 H ATOM 1418 HE22 GLN A 92 34.106 12.576 13.530 1.00 0.00 H ATOM 1419 HE21 GLN A 92 35.841 12.117 13.373 1.00 0.00 H ATOM 1420 H GLN A 92 30.648 11.664 10.107 1.00 0.00 H ATOM 1421 N ILE A 93 31.569 11.483 6.936 1.00 20.96 N ATOM 1422 CA ILE A 93 31.638 11.161 5.508 1.00 21.06 C ATOM 1423 C ILE A 93 30.492 11.771 4.694 1.00 21.06 C ATOM 1424 O ILE A 93 30.355 11.494 3.500 1.00 21.51 O ATOM 1425 CB ILE A 93 31.730 9.633 5.280 1.00 20.90 C ATOM 1426 CG1 ILE A 93 30.412 8.935 5.639 1.00 22.63 C ATOM 1427 CG2 ILE A 93 32.889 9.041 6.094 1.00 21.25 C ATOM 1428 CD1 ILE A 93 30.420 7.453 5.346 1.00 21.09 C ATOM 1429 HA ILE A 93 32.555 11.621 5.139 1.00 0.00 H ATOM 1430 HB ILE A 93 31.920 9.463 4.220 1.00 0.00 H ATOM 1431 HG12 ILE A 93 30.224 9.076 6.703 1.00 0.00 H ATOM 1432 HG13 ILE A 93 29.608 9.397 5.065 1.00 0.00 H ATOM 1433 HD11 ILE A 93 30.596 7.295 4.282 1.00 0.00 H ATOM 1434 HD12 ILE A 93 31.212 6.974 5.921 1.00 0.00 H ATOM 1435 HD13 ILE A 93 29.457 7.024 5.624 1.00 0.00 H ATOM 1436 HG21 ILE A 93 33.825 9.505 5.782 1.00 0.00 H ATOM 1437 HG22 ILE A 93 32.723 9.234 7.154 1.00 0.00 H ATOM 1438 HG23 ILE A 93 32.940 7.966 5.922 1.00 0.00 H ATOM 1439 H ILE A 93 30.999 10.888 7.571 1.00 0.00 H ATOM 1440 N GLY A 94 29.681 12.620 5.319 1.00 20.16 N ATOM 1441 CA GLY A 94 28.653 13.367 4.599 1.00 20.67 C ATOM 1442 C GLY A 94 27.416 12.564 4.241 1.00 20.86 C ATOM 1443 O GLY A 94 26.733 12.860 3.254 1.00 21.15 O ATOM 1444 HA3 GLY A 94 29.092 13.744 3.675 1.00 0.00 H ATOM 1445 HA2 GLY A 94 28.344 14.206 5.222 1.00 0.00 H ATOM 1446 H GLY A 94 29.781 12.755 6.345 1.00 0.00 H ATOM 1447 N CYS A 95 27.124 11.546 5.046 1.00 21.34 N ATOM 1448 CA CYS A 95 25.955 10.703 4.815 1.00 22.06 C ATOM 1449 C CYS A 95 24.659 11.412 5.134 1.00 21.89 C ATOM 1450 O CYS A 95 24.566 12.151 6.111 1.00 21.38 O ATOM 1451 CB CYS A 95 25.991 9.436 5.662 1.00 22.50 C ATOM 1452 SG CYS A 95 27.041 8.176 4.975 1.00 27.94 S ATOM 1453 HA CYS A 95 25.993 10.456 3.754 1.00 0.00 H ATOM 1454 HB2 CYS A 95 24.978 9.041 5.741 1.00 0.00 H ATOM 1455 HB3 CYS A 95 26.358 9.692 6.656 1.00 0.00 H ATOM 1456 HG CYS A 95 27.021 7.066 5.794 1.00 0.00 H ATOM 1457 H CYS A 95 27.742 11.346 5.858 1.00 0.00 H ATOM 1458 N THR A 96 23.666 11.183 4.284 1.00 21.24 N ATOM 1459 CA THR A 96 22.306 11.622 4.564 1.00 21.62 C ATOM 1460 C THR A 96 21.324 10.517 4.180 1.00 22.30 C ATOM 1461 O THR A 96 21.641 9.621 3.388 1.00 21.77 O ATOM 1462 CB THR A 96 21.940 12.872 3.746 1.00 22.06 C ATOM 1463 OG1 THR A 96 22.127 12.593 2.355 1.00 21.89 O ATOM 1464 CG2 THR A 96 22.817 14.047 4.133 1.00 22.44 C ATOM 1465 HA THR A 96 22.248 11.853 5.628 1.00 0.00 H ATOM 1466 HB THR A 96 20.900 13.128 3.949 1.00 0.00 H ATOM 1467 HG1 THR A 96 23.074 12.353 2.192 1.00 0.00 H ATOM 1468 HG23 THR A 96 22.681 14.267 5.192 1.00 0.00 H ATOM 1469 HG21 THR A 96 23.861 13.797 3.944 1.00 0.00 H ATOM 1470 HG22 THR A 96 22.537 14.918 3.541 1.00 0.00 H ATOM 1471 H THR A 96 23.864 10.678 3.397 1.00 0.00 H ATOM 1472 N LEU A 97 20.132 10.603 4.761 1.00 21.85 N ATOM 1473 CA LEU A 97 18.987 9.813 4.333 1.00 22.44 C ATOM 1474 C LEU A 97 18.178 10.639 3.357 1.00 22.16 C ATOM 1475 O LEU A 97 17.971 11.827 3.594 1.00 22.60 O ATOM 1476 CB LEU A 97 18.091 9.506 5.527 1.00 22.71 C ATOM 1477 CG LEU A 97 18.653 8.490 6.513 1.00 23.71 C ATOM 1478 CD1 LEU A 97 17.876 8.569 7.820 1.00 25.10 C ATOM 1479 CD2 LEU A 97 18.585 7.112 5.910 1.00 25.48 C ATOM 1480 HA LEU A 97 19.338 8.885 3.881 1.00 0.00 H ATOM 1481 HB2 LEU A 97 17.915 10.437 6.065 1.00 0.00 H ATOM 1482 HB3 LEU A 97 17.144 9.121 5.149 1.00 0.00 H ATOM 1483 HG LEU A 97 19.698 8.712 6.727 1.00 0.00 H ATOM 1484 HD21 LEU A 97 17.547 6.865 5.686 1.00 0.00 H ATOM 1485 HD22 LEU A 97 19.171 7.089 4.991 1.00 0.00 H ATOM 1486 HD23 LEU A 97 18.988 6.387 6.617 1.00 0.00 H ATOM 1487 HD11 LEU A 97 17.970 9.572 8.237 1.00 0.00 H ATOM 1488 HD12 LEU A 97 16.825 8.350 7.630 1.00 0.00 H ATOM 1489 HD13 LEU A 97 18.279 7.842 8.525 1.00 0.00 H ATOM 1490 H LEU A 97 20.012 11.263 5.556 1.00 0.00 H ATOM 1491 N ASN A 98 17.714 10.013 2.280 1.00 22.52 N ATOM 1492 CA ASN A 98 16.928 10.706 1.267 1.00 22.91 C ATOM 1493 C ASN A 98 15.736 9.873 0.834 1.00 22.85 C ATOM 1494 O ASN A 98 15.861 8.668 0.630 1.00 22.66 O ATOM 1495 CB ASN A 98 17.801 11.037 0.054 1.00 22.96 C ATOM 1496 CG ASN A 98 18.992 11.908 0.421 1.00 23.53 C ATOM 1497 OD1 ASN A 98 18.958 13.123 0.229 1.00 27.26 O ATOM 1498 ND2 ASN A 98 20.040 11.296 0.970 1.00 24.81 N ATOM 1499 HA ASN A 98 16.557 11.632 1.706 1.00 0.00 H ATOM 1500 HB2 ASN A 98 18.167 10.106 -0.379 1.00 0.00 H ATOM 1501 HB3 ASN A 98 17.194 11.565 -0.682 1.00 0.00 H ATOM 1502 HD22 ASN A 98 20.024 10.266 1.113 1.00 0.00 H ATOM 1503 HD21 ASN A 98 20.874 11.848 1.255 1.00 0.00 H ATOM 1504 H ASN A 98 17.918 9.001 2.157 1.00 0.00 H ATOM 1505 N PHE A 99 14.582 10.520 0.704 1.00 23.52 N ATOM 1506 CA PHE A 99 13.418 9.889 0.094 1.00 23.73 C ATOM 1507 C PHE A 99 12.457 10.944 -0.434 1.00 24.24 C ATOM 1508 O PHE A 99 12.807 12.128 -0.442 1.00 24.50 O ATOM 1509 CB PHE A 99 12.722 8.931 1.071 1.00 24.78 C ATOM 1510 CG PHE A 99 12.211 9.574 2.333 1.00 24.30 C ATOM 1511 CD1 PHE A 99 13.064 9.828 3.395 1.00 27.06 C ATOM 1512 CD2 PHE A 99 10.868 9.881 2.472 1.00 25.73 C ATOM 1513 CE1 PHE A 99 12.594 10.408 4.562 1.00 26.59 C ATOM 1514 CE2 PHE A 99 10.391 10.464 3.635 1.00 26.57 C ATOM 1515 CZ PHE A 99 11.261 10.722 4.681 1.00 26.98 C ATOM 1516 HA PHE A 99 13.760 9.290 -0.750 1.00 0.00 H ATOM 1517 OXT PHE A 99 11.348 10.640 -0.881 1.00 24.72 O ATOM 1518 HB2 PHE A 99 11.876 8.477 0.555 1.00 0.00 H ATOM 1519 HB3 PHE A 99 13.435 8.155 1.350 1.00 0.00 H ATOM 1520 HD2 PHE A 99 10.178 9.662 1.657 1.00 0.00 H ATOM 1521 HE2 PHE A 99 9.335 10.719 3.726 1.00 0.00 H ATOM 1522 HZ PHE A 99 10.888 11.175 5.600 1.00 0.00 H ATOM 1523 HE1 PHE A 99 13.279 10.615 5.384 1.00 0.00 H ATOM 1524 HD1 PHE A 99 14.119 9.568 3.311 1.00 0.00 H ATOM 1525 H PHE A 99 14.508 11.500 1.046 1.00 0.00 H TER 1526 PHE A 99 ATOM 1527 N PRO B 1 12.355 14.192 1.145 1.00 29.74 N ATOM 1528 CA PRO B 1 13.287 15.141 1.744 1.00 28.91 C ATOM 1529 C PRO B 1 14.671 14.540 1.950 1.00 28.73 C ATOM 1530 O PRO B 1 14.842 13.333 1.793 1.00 28.27 O ATOM 1531 CB PRO B 1 12.656 15.418 3.108 1.00 29.48 C ATOM 1532 CG PRO B 1 12.004 14.136 3.472 1.00 30.06 C ATOM 1533 CD PRO B 1 11.553 13.500 2.171 1.00 30.12 C ATOM 1534 HA PRO B 1 13.432 16.020 1.116 1.00 0.00 H ATOM 1535 HD3 PRO B 1 11.760 12.430 2.169 1.00 0.00 H ATOM 1536 HD2 PRO B 1 10.488 13.663 2.007 1.00 0.00 H ATOM 1537 HG3 PRO B 1 11.146 14.319 4.119 1.00 0.00 H ATOM 1538 HG2 PRO B 1 12.712 13.485 3.985 1.00 0.00 H ATOM 1539 HB2 PRO B 1 13.418 15.687 3.840 1.00 0.00 H ATOM 1540 HB3 PRO B 1 11.921 16.220 3.039 1.00 0.00 H ATOM 1541 N GLN B 2 15.629 15.395 2.295 1.00 27.95 N ATOM 1542 CA GLN B 2 16.952 14.968 2.732 1.00 27.39 C ATOM 1543 C GLN B 2 17.039 15.183 4.235 1.00 27.05 C ATOM 1544 O GLN B 2 16.727 16.264 4.730 1.00 26.90 O ATOM 1545 CB GLN B 2 18.053 15.765 2.039 1.00 27.48 C ATOM 1546 CG GLN B 2 19.447 15.379 2.473 1.00 28.03 C ATOM 1547 CD GLN B 2 20.516 15.966 1.583 1.00 28.42 C ATOM 1548 OE1 GLN B 2 21.093 17.013 1.891 1.00 29.05 O ATOM 1549 NE2 GLN B 2 20.789 15.293 0.468 1.00 27.65 N ATOM 1550 HA GLN B 2 17.094 13.918 2.475 1.00 0.00 H ATOM 1551 HB2 GLN B 2 17.970 15.604 0.964 1.00 0.00 H ATOM 1552 HB3 GLN B 2 17.904 16.822 2.260 1.00 0.00 H ATOM 1553 HG2 GLN B 2 19.607 15.734 3.491 1.00 0.00 H ATOM 1554 HG3 GLN B 2 19.532 14.293 2.451 1.00 0.00 H ATOM 1555 HE22 GLN B 2 20.276 14.415 0.252 1.00 0.00 H ATOM 1556 HE21 GLN B 2 21.516 15.645 -0.187 1.00 0.00 H ATOM 1557 H GLN B 2 15.425 16.414 2.251 1.00 0.00 H ATOM 1558 N ILE B 3 17.440 14.137 4.949 1.00 26.12 N ATOM 1559 CA ILE B 3 17.546 14.171 6.397 1.00 25.87 C ATOM 1560 C ILE B 3 19.009 13.952 6.744 1.00 25.29 C ATOM 1561 O ILE B 3 19.593 12.923 6.407 1.00 24.74 O ATOM 1562 CB ILE B 3 16.638 13.110 7.050 1.00 26.05 C ATOM 1563 CG1 ILE B 3 15.192 13.356 6.607 1.00 26.52 C ATOM 1564 CG2 ILE B 3 16.765 13.155 8.566 1.00 26.40 C ATOM 1565 CD1 ILE B 3 14.161 12.474 7.256 1.00 27.07 C ATOM 1566 HA ILE B 3 17.208 15.132 6.785 1.00 0.00 H ATOM 1567 HB ILE B 3 16.945 12.115 6.729 1.00 0.00 H ATOM 1568 HG12 ILE B 3 14.941 14.392 6.836 1.00 0.00 H ATOM 1569 HG13 ILE B 3 15.139 13.200 5.530 1.00 0.00 H ATOM 1570 HD11 ILE B 3 14.381 11.431 7.028 1.00 0.00 H ATOM 1571 HD12 ILE B 3 14.184 12.624 8.335 1.00 0.00 H ATOM 1572 HD13 ILE B 3 13.173 12.730 6.873 1.00 0.00 H ATOM 1573 HG21 ILE B 3 17.799 12.958 8.849 1.00 0.00 H ATOM 1574 HG22 ILE B 3 16.471 14.141 8.925 1.00 0.00 H ATOM 1575 HG23 ILE B 3 16.116 12.398 9.006 1.00 0.00 H ATOM 1576 H ILE B 3 17.688 13.258 4.451 1.00 0.00 H ATOM 1577 N THR B 4 19.600 14.950 7.392 1.00 24.91 N ATOM 1578 CA THR B 4 20.973 14.854 7.852 1.00 24.16 C ATOM 1579 C THR B 4 21.026 14.064 9.161 1.00 23.62 C ATOM 1580 O THR B 4 19.982 13.722 9.738 1.00 23.55 O ATOM 1581 CB THR B 4 21.594 16.252 8.045 1.00 24.33 C ATOM 1582 OG1 THR B 4 20.809 17.007 8.979 1.00 23.54 O ATOM 1583 CG2 THR B 4 21.639 16.995 6.713 1.00 24.39 C ATOM 1584 HA THR B 4 21.555 14.332 7.093 1.00 0.00 H ATOM 1585 HB THR B 4 22.608 16.135 8.427 1.00 0.00 H ATOM 1586 HG1 THR B 4 21.212 17.903 9.099 1.00 0.00 H ATOM 1587 HG23 THR B 4 22.235 16.425 6.000 1.00 0.00 H ATOM 1588 HG21 THR B 4 20.625 17.113 6.330 1.00 0.00 H ATOM 1589 HG22 THR B 4 22.089 17.977 6.861 1.00 0.00 H ATOM 1590 H THR B 4 19.065 15.823 7.574 1.00 0.00 H ATOM 1591 N LEU B 5 22.246 13.781 9.614 1.00 22.58 N ATOM 1592 CA LEU B 5 22.461 12.892 10.755 1.00 22.56 C ATOM 1593 C LEU B 5 23.198 13.548 11.930 1.00 22.14 C ATOM 1594 O LEU B 5 23.743 12.877 12.801 1.00 22.32 O ATOM 1595 CB LEU B 5 23.172 11.624 10.280 1.00 22.39 C ATOM 1596 CG LEU B 5 22.385 10.813 9.240 1.00 22.47 C ATOM 1597 CD1 LEU B 5 23.260 9.749 8.600 1.00 22.94 C ATOM 1598 CD2 LEU B 5 21.141 10.186 9.852 1.00 23.19 C ATOM 1599 HA LEU B 5 21.479 12.638 11.155 1.00 0.00 H ATOM 1600 HB2 LEU B 5 24.126 11.912 9.839 1.00 0.00 H ATOM 1601 HB3 LEU B 5 23.351 10.987 11.146 1.00 0.00 H ATOM 1602 HG LEU B 5 22.064 11.505 8.461 1.00 0.00 H ATOM 1603 HD21 LEU B 5 21.433 9.519 10.663 1.00 0.00 H ATOM 1604 HD22 LEU B 5 20.494 10.972 10.241 1.00 0.00 H ATOM 1605 HD23 LEU B 5 20.608 9.620 9.088 1.00 0.00 H ATOM 1606 HD11 LEU B 5 24.106 10.226 8.104 1.00 0.00 H ATOM 1607 HD12 LEU B 5 23.625 9.069 9.370 1.00 0.00 H ATOM 1608 HD13 LEU B 5 22.675 9.191 7.868 1.00 0.00 H ATOM 1609 H LEU B 5 23.070 14.205 9.142 1.00 0.00 H ATOM 1610 N TRP B 6 23.181 14.875 11.974 1.00 22.04 N ATOM 1611 CA TRP B 6 23.743 15.622 13.101 1.00 22.25 C ATOM 1612 C TRP B 6 23.050 15.294 14.416 1.00 22.47 C ATOM 1613 O TRP B 6 23.678 15.293 15.479 1.00 23.90 O ATOM 1614 CB TRP B 6 23.602 17.114 12.819 1.00 21.28 C ATOM 1615 CG TRP B 6 24.261 17.480 11.544 1.00 20.77 C ATOM 1616 CD1 TRP B 6 23.670 17.956 10.408 1.00 21.15 C ATOM 1617 CD2 TRP B 6 25.658 17.381 11.264 1.00 21.48 C ATOM 1618 NE1 TRP B 6 24.625 18.172 9.437 1.00 21.67 N ATOM 1619 CE2 TRP B 6 25.849 17.804 9.935 1.00 19.50 C ATOM 1620 CE3 TRP B 6 26.761 16.952 12.006 1.00 21.59 C ATOM 1621 CZ2 TRP B 6 27.111 17.838 9.342 1.00 22.33 C ATOM 1622 CZ3 TRP B 6 28.018 16.993 11.413 1.00 21.54 C ATOM 1623 CH2 TRP B 6 28.175 17.421 10.094 1.00 22.57 C ATOM 1624 HA TRP B 6 24.790 15.338 13.203 1.00 0.00 H ATOM 1625 HB2 TRP B 6 22.543 17.367 12.758 1.00 0.00 H ATOM 1626 HB3 TRP B 6 24.062 17.675 13.632 1.00 0.00 H ATOM 1627 HE1 TRP B 6 24.447 18.551 8.485 1.00 0.00 H ATOM 1628 HD1 TRP B 6 22.602 18.138 10.287 1.00 0.00 H ATOM 1629 HZ2 TRP B 6 27.245 18.184 8.317 1.00 0.00 H ATOM 1630 HH2 TRP B 6 29.171 17.423 9.652 1.00 0.00 H ATOM 1631 HZ3 TRP B 6 28.893 16.687 11.986 1.00 0.00 H ATOM 1632 HE3 TRP B 6 26.639 16.593 13.028 1.00 0.00 H ATOM 1633 H TRP B 6 22.755 15.400 11.184 1.00 0.00 H ATOM 1634 N LYS B 7 21.749 15.032 14.317 1.00 22.80 N ATOM 1635 CA LYS B 7 20.939 14.569 15.437 1.00 23.00 C ATOM 1636 C LYS B 7 20.228 13.295 14.993 1.00 21.84 C ATOM 1637 O LYS B 7 20.250 12.920 13.820 1.00 21.46 O ATOM 1638 CB LYS B 7 19.918 15.622 15.874 1.00 24.12 C ATOM 1639 CG LYS B 7 19.010 16.136 14.781 1.00 25.95 C ATOM 1640 CD LYS B 7 17.945 17.050 15.377 1.00 26.45 C ATOM 1641 CE LYS B 7 17.070 17.703 14.320 1.00 28.04 C ATOM 1642 NZ LYS B 7 15.999 18.528 14.943 1.00 30.83 N ATOM 1643 HA LYS B 7 21.581 14.380 16.297 1.00 0.00 H ATOM 1644 HB2 LYS B 7 19.293 15.183 16.652 1.00 0.00 H ATOM 1645 HB3 LYS B 7 20.465 16.471 16.285 1.00 0.00 H ATOM 1646 HG2 LYS B 7 19.600 16.694 14.054 1.00 0.00 H ATOM 1647 HG3 LYS B 7 18.527 15.293 14.286 1.00 0.00 H ATOM 1648 HD2 LYS B 7 17.311 16.460 16.039 1.00 0.00 H ATOM 1649 HD3 LYS B 7 18.440 17.833 15.952 1.00 0.00 H ATOM 1650 HE2 LYS B 7 16.611 16.926 13.709 1.00 0.00 H ATOM 1651 HE3 LYS B 7 17.689 18.341 13.690 1.00 0.00 H ATOM 1652 HZ1 LYS B 7 15.402 17.923 15.542 1.00 0.00 H ATOM 1653 HZ2 LYS B 7 16.432 19.274 15.524 1.00 0.00 H ATOM 1654 HZ3 LYS B 7 15.418 18.961 14.197 1.00 0.00 H ATOM 1655 H LYS B 7 21.287 15.164 13.395 1.00 0.00 H ATOM 1656 N ARG B 8 19.607 12.622 15.950 1.00 21.28 N ATOM 1657 CA ARG B 8 18.877 11.403 15.640 1.00 21.28 C ATOM 1658 C ARG B 8 17.822 11.693 14.569 1.00 21.00 C ATOM 1659 O ARG B 8 17.079 12.678 14.706 1.00 20.51 O ATOM 1660 CB ARG B 8 18.239 10.844 16.907 1.00 20.63 C ATOM 1661 CG ARG B 8 19.250 10.301 17.893 1.00 21.91 C ATOM 1662 CD ARG B 8 18.608 9.914 19.211 1.00 22.56 C ATOM 1663 NE ARG B 8 19.625 9.531 20.190 1.00 23.26 N ATOM 1664 CZ ARG B 8 19.507 9.676 21.508 1.00 24.71 C ATOM 1665 NH1 ARG B 8 18.406 10.182 22.055 1.00 25.08 N ATOM 1666 NH2 ARG B 8 20.500 9.305 22.304 1.00 23.43 N ATOM 1667 HA ARG B 8 19.564 10.653 15.249 1.00 0.00 H ATOM 1668 HB2 ARG B 8 17.675 11.641 17.392 1.00 0.00 H ATOM 1669 HB3 ARG B 8 17.560 10.038 16.627 1.00 0.00 H ATOM 1670 HG2 ARG B 8 19.725 9.420 17.461 1.00 0.00 H ATOM 1671 HG3 ARG B 8 20.005 11.065 18.080 1.00 0.00 H ATOM 1672 HD2 ARG B 8 17.934 9.073 19.048 1.00 0.00 H ATOM 1673 HD3 ARG B 8 18.042 10.762 19.596 1.00 0.00 H ATOM 1674 HE ARG B 8 20.507 9.114 19.829 1.00 0.00 H ATOM 1675 HH12 ARG B 8 18.339 10.285 23.088 1.00 0.00 H ATOM 1676 HH11 ARG B 8 17.612 10.475 21.450 1.00 0.00 H ATOM 1677 HH22 ARG B 8 20.410 9.417 23.334 1.00 0.00 H ATOM 1678 HH21 ARG B 8 21.369 8.902 21.898 1.00 0.00 H ATOM 1679 H ARG B 8 19.642 12.968 16.930 1.00 0.00 H ATOM 1680 N PRO B 9 17.774 10.874 13.498 1.00 21.52 N ATOM 1681 CA PRO B 9 16.772 11.106 12.451 1.00 21.66 C ATOM 1682 C PRO B 9 15.362 10.672 12.859 1.00 21.73 C ATOM 1683 O PRO B 9 14.860 9.639 12.413 1.00 21.10 O ATOM 1684 CB PRO B 9 17.324 10.302 11.267 1.00 21.90 C ATOM 1685 CG PRO B 9 18.003 9.140 11.917 1.00 22.87 C ATOM 1686 CD PRO B 9 18.657 9.739 13.150 1.00 22.10 C ATOM 1687 HA PRO B 9 16.639 12.164 12.223 1.00 0.00 H ATOM 1688 HD3 PRO B 9 18.695 9.013 13.962 1.00 0.00 H ATOM 1689 HD2 PRO B 9 19.666 10.085 12.926 1.00 0.00 H ATOM 1690 HG3 PRO B 9 18.751 8.707 11.253 1.00 0.00 H ATOM 1691 HG2 PRO B 9 17.279 8.374 12.195 1.00 0.00 H ATOM 1692 HB2 PRO B 9 16.518 9.967 10.614 1.00 0.00 H ATOM 1693 HB3 PRO B 9 18.034 10.895 10.691 1.00 0.00 H ATOM 1694 N ILE B 10 14.731 11.489 13.700 1.00 21.88 N ATOM 1695 CA ILE B 10 13.408 11.208 14.246 1.00 22.14 C ATOM 1696 C ILE B 10 12.367 11.972 13.434 1.00 21.98 C ATOM 1697 O ILE B 10 12.506 13.175 13.184 1.00 21.86 O ATOM 1698 CB ILE B 10 13.352 11.577 15.747 1.00 22.23 C ATOM 1699 CG1 ILE B 10 14.243 10.621 16.546 1.00 23.10 C ATOM 1700 CG2 ILE B 10 11.923 11.516 16.268 1.00 21.82 C ATOM 1701 CD1 ILE B 10 14.552 11.061 17.957 1.00 24.28 C ATOM 1702 HA ILE B 10 13.193 10.142 14.173 1.00 0.00 H ATOM 1703 HB ILE B 10 13.715 12.598 15.867 1.00 0.00 H ATOM 1704 HG12 ILE B 10 13.742 9.654 16.596 1.00 0.00 H ATOM 1705 HG13 ILE B 10 15.187 10.513 16.012 1.00 0.00 H ATOM 1706 HD11 ILE B 10 15.068 12.021 17.932 1.00 0.00 H ATOM 1707 HD12 ILE B 10 13.622 11.162 18.517 1.00 0.00 H ATOM 1708 HD13 ILE B 10 15.188 10.317 18.437 1.00 0.00 H ATOM 1709 HG21 ILE B 10 11.304 12.219 15.710 1.00 0.00 H ATOM 1710 HG22 ILE B 10 11.534 10.506 16.140 1.00 0.00 H ATOM 1711 HG23 ILE B 10 11.912 11.780 17.326 1.00 0.00 H ATOM 1712 H ILE B 10 15.205 12.371 13.981 1.00 0.00 H ATOM 1713 N VAL B 11 11.323 11.260 13.019 1.00 21.33 N ATOM 1714 CA VAL B 11 10.269 11.850 12.213 1.00 21.85 C ATOM 1715 C VAL B 11 8.914 11.501 12.793 1.00 22.04 C ATOM 1716 O VAL B 11 8.788 10.605 13.620 1.00 21.28 O ATOM 1717 CB VAL B 11 10.327 11.394 10.747 1.00 21.79 C ATOM 1718 CG1 VAL B 11 11.667 11.763 10.129 1.00 22.28 C ATOM 1719 CG2 VAL B 11 10.062 9.897 10.613 1.00 21.88 C ATOM 1720 HA VAL B 11 10.420 12.929 12.232 1.00 0.00 H ATOM 1721 HB VAL B 11 9.538 11.914 10.205 1.00 0.00 H ATOM 1722 HG11 VAL B 11 11.799 12.844 10.170 1.00 0.00 H ATOM 1723 HG12 VAL B 11 12.468 11.276 10.685 1.00 0.00 H ATOM 1724 HG13 VAL B 11 11.690 11.432 9.091 1.00 0.00 H ATOM 1725 HG21 VAL B 11 10.814 9.344 11.176 1.00 0.00 H ATOM 1726 HG22 VAL B 11 9.071 9.668 11.006 1.00 0.00 H ATOM 1727 HG23 VAL B 11 10.112 9.613 9.562 1.00 0.00 H ATOM 1728 H VAL B 11 11.260 10.255 13.278 1.00 0.00 H ATOM 1729 N THR B 12 7.894 12.225 12.350 1.00 22.27 N ATOM 1730 CA THR B 12 6.536 11.980 12.807 1.00 22.86 C ATOM 1731 C THR B 12 5.923 10.822 12.033 1.00 23.06 C ATOM 1732 O THR B 12 5.975 10.795 10.800 1.00 23.43 O ATOM 1733 CB THR B 12 5.675 13.222 12.595 1.00 23.13 C ATOM 1734 OG1 THR B 12 5.905 13.717 11.272 1.00 24.53 O ATOM 1735 CG2 THR B 12 6.047 14.289 13.604 1.00 23.62 C ATOM 1736 HA THR B 12 6.572 11.736 13.869 1.00 0.00 H ATOM 1737 HB THR B 12 4.623 12.966 12.724 1.00 0.00 H ATOM 1738 HG1 THR B 12 5.660 13.020 10.613 1.00 0.00 H ATOM 1739 HG23 THR B 12 5.872 13.912 14.611 1.00 0.00 H ATOM 1740 HG21 THR B 12 7.100 14.545 13.489 1.00 0.00 H ATOM 1741 HG22 THR B 12 5.436 15.176 13.435 1.00 0.00 H ATOM 1742 H THR B 12 8.070 12.984 11.661 1.00 0.00 H ATOM 1743 N ILE B 13 5.331 9.884 12.764 1.00 23.36 N ATOM 1744 CA ILE B 13 4.590 8.778 12.165 1.00 23.35 C ATOM 1745 C ILE B 13 3.151 8.814 12.665 1.00 23.93 C ATOM 1746 O ILE B 13 2.863 9.329 13.746 1.00 23.73 O ATOM 1747 CB ILE B 13 5.222 7.394 12.440 1.00 23.83 C ATOM 1748 CG1 ILE B 13 5.196 7.042 13.932 1.00 23.17 C ATOM 1749 CG2 ILE B 13 6.643 7.325 11.876 1.00 23.93 C ATOM 1750 CD1 ILE B 13 5.563 5.603 14.217 1.00 23.45 C ATOM 1751 HA ILE B 13 4.623 8.912 11.084 1.00 0.00 H ATOM 1752 HB ILE B 13 4.617 6.647 11.926 1.00 0.00 H ATOM 1753 HG12 ILE B 13 5.903 7.688 14.452 1.00 0.00 H ATOM 1754 HG13 ILE B 13 4.191 7.224 14.313 1.00 0.00 H ATOM 1755 HD11 ILE B 13 4.858 4.943 13.712 1.00 0.00 H ATOM 1756 HD12 ILE B 13 6.571 5.407 13.852 1.00 0.00 H ATOM 1757 HD13 ILE B 13 5.524 5.425 15.292 1.00 0.00 H ATOM 1758 HG21 ILE B 13 6.614 7.491 10.799 1.00 0.00 H ATOM 1759 HG22 ILE B 13 7.257 8.093 12.347 1.00 0.00 H ATOM 1760 HG23 ILE B 13 7.067 6.342 12.082 1.00 0.00 H ATOM 1761 H ILE B 13 5.398 9.940 13.800 1.00 0.00 H ATOM 1762 N ARG B 14 2.263 8.248 11.858 1.00 23.22 N ATOM 1763 CA ARG B 14 0.858 8.130 12.199 1.00 23.50 C ATOM 1764 C ARG B 14 0.503 6.668 11.995 1.00 23.28 C ATOM 1765 O ARG B 14 0.761 6.094 10.937 1.00 23.17 O ATOM 1766 CB ARG B 14 0.013 9.025 11.312 1.00 23.38 C ATOM 1767 HA ARG B 14 0.667 8.444 13.225 1.00 0.00 H ATOM 1768 HB2 ARG B 14 0.322 10.062 11.444 1.00 0.00 H ATOM 1769 HB3 ARG B 14 0.149 8.734 10.270 1.00 0.00 H ATOM 1770 H ARG B 14 2.587 7.874 10.944 1.00 0.00 H ATOM 1771 N ILE B 15 -0.082 6.066 13.021 1.00 23.92 N ATOM 1772 CA ILE B 15 -0.515 4.685 12.926 1.00 23.92 C ATOM 1773 C ILE B 15 -1.823 4.546 13.700 1.00 24.08 C ATOM 1774 O ILE B 15 -1.898 4.898 14.871 1.00 23.69 O ATOM 1775 CB ILE B 15 0.601 3.707 13.362 1.00 24.98 C ATOM 1776 CG1 ILE B 15 0.110 2.258 13.272 1.00 25.27 C ATOM 1777 CG2 ILE B 15 1.210 4.097 14.720 1.00 25.10 C ATOM 1778 CD1 ILE B 15 -0.721 1.766 14.429 1.00 27.26 C ATOM 1779 HA ILE B 15 -0.713 4.408 11.891 1.00 0.00 H ATOM 1780 HB ILE B 15 1.434 3.784 12.663 1.00 0.00 H ATOM 1781 HG12 ILE B 15 -0.491 2.165 12.367 1.00 0.00 H ATOM 1782 HG13 ILE B 15 0.986 1.614 13.193 1.00 0.00 H ATOM 1783 HD11 ILE B 15 -0.137 1.831 15.347 1.00 0.00 H ATOM 1784 HD12 ILE B 15 -1.615 2.383 14.521 1.00 0.00 H ATOM 1785 HD13 ILE B 15 -1.010 0.730 14.253 1.00 0.00 H ATOM 1786 HG21 ILE B 15 1.640 5.096 14.650 1.00 0.00 H ATOM 1787 HG22 ILE B 15 0.431 4.088 15.482 1.00 0.00 H ATOM 1788 HG23 ILE B 15 1.989 3.383 14.986 1.00 0.00 H ATOM 1789 H ILE B 15 -0.233 6.591 13.906 1.00 0.00 H ATOM 1790 N GLY B 16 -2.854 4.047 13.030 1.00 24.24 N ATOM 1791 CA GLY B 16 -4.164 3.893 13.653 1.00 24.14 C ATOM 1792 C GLY B 16 -4.724 5.128 14.335 1.00 24.07 C ATOM 1793 O GLY B 16 -5.433 5.008 15.335 1.00 24.85 O ATOM 1794 HA3 GLY B 16 -4.087 3.104 14.401 1.00 0.00 H ATOM 1795 HA2 GLY B 16 -4.869 3.591 12.878 1.00 0.00 H ATOM 1796 H GLY B 16 -2.725 3.759 12.039 1.00 0.00 H ATOM 1797 N GLY B 17 -4.425 6.313 13.804 1.00 24.19 N ATOM 1798 CA GLY B 17 -4.803 7.570 14.456 1.00 23.98 C ATOM 1799 C GLY B 17 -3.928 8.025 15.617 1.00 23.90 C ATOM 1800 O GLY B 17 -4.201 9.069 16.225 1.00 23.10 O ATOM 1801 HA3 GLY B 17 -5.819 7.455 14.833 1.00 0.00 H ATOM 1802 HA2 GLY B 17 -4.784 8.354 13.699 1.00 0.00 H ATOM 1803 H GLY B 17 -3.909 6.347 12.902 1.00 0.00 H ATOM 1804 N GLN B 18 -2.890 7.247 15.930 1.00 22.95 N ATOM 1805 CA GLN B 18 -1.924 7.580 16.977 1.00 23.41 C ATOM 1806 C GLN B 18 -0.827 8.423 16.334 1.00 22.83 C ATOM 1807 O GLN B 18 -0.235 7.989 15.352 1.00 23.18 O ATOM 1808 CB GLN B 18 -1.237 6.327 17.541 1.00 23.61 C ATOM 1809 CG GLN B 18 -2.043 5.359 18.403 1.00 27.22 C ATOM 1810 CD GLN B 18 -1.651 5.438 19.880 1.00 31.31 C ATOM 1811 OE1 GLN B 18 -2.005 6.391 20.576 1.00 33.97 O ATOM 1812 NE2 GLN B 18 -0.910 4.438 20.360 1.00 33.00 N ATOM 1813 HA GLN B 18 -2.452 8.092 17.781 1.00 0.00 H ATOM 1814 HB2 GLN B 18 -0.862 5.759 16.690 1.00 0.00 H ATOM 1815 HB3 GLN B 18 -0.397 6.669 18.146 1.00 0.00 H ATOM 1816 HG2 GLN B 18 -3.102 5.601 18.307 1.00 0.00 H ATOM 1817 HG3 GLN B 18 -1.870 4.343 18.047 1.00 0.00 H ATOM 1818 HE22 GLN B 18 -0.632 3.652 19.738 1.00 0.00 H ATOM 1819 HE21 GLN B 18 -0.610 4.445 21.356 1.00 0.00 H ATOM 1820 H GLN B 18 -2.761 6.360 15.403 1.00 0.00 H ATOM 1821 N LEU B 19 -0.549 9.601 16.881 1.00 22.09 N ATOM 1822 CA LEU B 19 0.530 10.444 16.381 1.00 22.30 C ATOM 1823 C LEU B 19 1.760 10.168 17.242 1.00 21.59 C ATOM 1824 O LEU B 19 1.714 10.350 18.456 1.00 21.13 O ATOM 1825 CB LEU B 19 0.136 11.903 16.448 1.00 22.52 C ATOM 1826 HA LEU B 19 0.744 10.218 15.336 1.00 0.00 H ATOM 1827 HB2 LEU B 19 -0.753 12.066 15.839 1.00 0.00 H ATOM 1828 HB3 LEU B 19 -0.076 12.174 17.482 1.00 0.00 H ATOM 1829 H LEU B 19 -1.116 9.931 17.688 1.00 0.00 H ATOM 1830 N LYS B 20 2.851 9.718 16.624 1.00 22.36 N ATOM 1831 CA LYS B 20 4.052 9.331 17.362 1.00 22.16 C ATOM 1832 C LYS B 20 5.291 9.860 16.648 1.00 22.15 C ATOM 1833 O LYS B 20 5.180 10.454 15.577 1.00 23.35 O ATOM 1834 CB LYS B 20 4.134 7.811 17.500 1.00 22.47 C ATOM 1835 CG LYS B 20 2.962 7.183 18.252 1.00 23.15 C ATOM 1836 CD LYS B 20 3.089 5.666 18.303 1.00 23.68 C ATOM 1837 CE LYS B 20 2.010 5.034 19.170 1.00 23.85 C ATOM 1838 NZ LYS B 20 2.258 5.204 20.632 1.00 25.29 N ATOM 1839 HA LYS B 20 4.001 9.764 18.361 1.00 0.00 H ATOM 1840 HB2 LYS B 20 4.169 7.379 16.500 1.00 0.00 H ATOM 1841 HB3 LYS B 20 5.053 7.566 18.033 1.00 0.00 H ATOM 1842 HG2 LYS B 20 2.942 7.573 19.270 1.00 0.00 H ATOM 1843 HG3 LYS B 20 2.033 7.445 17.746 1.00 0.00 H ATOM 1844 HD2 LYS B 20 3.004 5.271 17.291 1.00 0.00 H ATOM 1845 HD3 LYS B 20 4.066 5.408 18.712 1.00 0.00 H ATOM 1846 HE2 LYS B 20 1.966 3.968 18.947 1.00 0.00 H ATOM 1847 HE3 LYS B 20 1.053 5.495 18.924 1.00 0.00 H ATOM 1848 HZ1 LYS B 20 3.164 4.760 20.883 1.00 0.00 H ATOM 1849 HZ2 LYS B 20 2.293 6.218 20.861 1.00 0.00 H ATOM 1850 HZ3 LYS B 20 1.489 4.753 21.168 1.00 0.00 H ATOM 1851 H LYS B 20 2.848 9.640 15.587 1.00 0.00 H ATOM 1852 N GLU B 21 6.451 9.653 17.264 1.00 21.28 N ATOM 1853 CA GLU B 21 7.742 9.950 16.647 1.00 21.00 C ATOM 1854 C GLU B 21 8.500 8.640 16.521 1.00 19.76 C ATOM 1855 O GLU B 21 8.356 7.758 17.368 1.00 19.74 O ATOM 1856 CB GLU B 21 8.584 10.872 17.525 1.00 20.59 C ATOM 1857 CG GLU B 21 7.919 12.126 18.020 1.00 23.61 C ATOM 1858 CD GLU B 21 8.855 12.917 18.909 1.00 24.79 C ATOM 1859 OE1 GLU B 21 9.888 13.393 18.400 1.00 31.09 O ATOM 1860 OE2 GLU B 21 8.548 13.067 20.114 1.00 32.67 O ATOM 1861 HA GLU B 21 7.566 10.435 15.687 1.00 0.00 H ATOM 1862 HB2 GLU B 21 8.901 10.300 18.397 1.00 0.00 H ATOM 1863 HB3 GLU B 21 9.460 11.168 16.948 1.00 0.00 H ATOM 1864 HG2 GLU B 21 7.633 12.740 17.166 1.00 0.00 H ATOM 1865 HG3 GLU B 21 7.028 11.858 18.588 1.00 0.00 H ATOM 1866 H GLU B 21 6.439 9.262 18.228 1.00 0.00 H ATOM 1867 N ALA B 22 9.326 8.531 15.486 1.00 18.69 N ATOM 1868 CA ALA B 22 10.114 7.328 15.273 1.00 18.79 C ATOM 1869 C ALA B 22 11.436 7.653 14.602 1.00 18.76 C ATOM 1870 O ALA B 22 11.547 8.622 13.861 1.00 18.33 O ATOM 1871 CB ALA B 22 9.352 6.326 14.434 1.00 18.50 C ATOM 1872 HA ALA B 22 10.315 6.892 16.251 1.00 0.00 H ATOM 1873 HB1 ALA B 22 8.428 6.055 14.944 1.00 0.00 H ATOM 1874 HB2 ALA B 22 9.118 6.768 13.466 1.00 0.00 H ATOM 1875 HB3 ALA B 22 9.964 5.435 14.289 1.00 0.00 H ATOM 1876 H ALA B 22 9.410 9.321 14.815 1.00 0.00 H ATOM 1877 N LEU B 23 12.409 6.794 14.879 1.00 19.00 N ATOM 1878 CA LEU B 23 13.769 6.894 14.386 1.00 19.34 C ATOM 1879 C LEU B 23 13.873 6.135 13.068 1.00 19.01 C ATOM 1880 O LEU B 23 13.526 4.952 13.006 1.00 19.55 O ATOM 1881 CB LEU B 23 14.671 6.228 15.435 1.00 20.17 C ATOM 1882 CG LEU B 23 16.144 6.516 15.703 1.00 23.45 C ATOM 1883 CD1 LEU B 23 16.756 5.230 16.256 1.00 24.68 C ATOM 1884 CD2 LEU B 23 16.887 7.033 14.500 1.00 27.31 C ATOM 1885 HA LEU B 23 14.062 7.931 14.222 1.00 0.00 H ATOM 1886 HB2 LEU B 23 14.173 6.409 16.387 1.00 0.00 H ATOM 1887 HB3 LEU B 23 14.632 5.164 15.202 1.00 0.00 H ATOM 1888 HG LEU B 23 16.229 7.327 16.426 1.00 0.00 H ATOM 1889 HD21 LEU B 23 16.840 6.294 13.700 1.00 0.00 H ATOM 1890 HD22 LEU B 23 16.429 7.963 14.164 1.00 0.00 H ATOM 1891 HD23 LEU B 23 17.928 7.215 14.768 1.00 0.00 H ATOM 1892 HD11 LEU B 23 16.243 4.952 17.177 1.00 0.00 H ATOM 1893 HD12 LEU B 23 16.646 4.432 15.522 1.00 0.00 H ATOM 1894 HD13 LEU B 23 17.814 5.392 16.463 1.00 0.00 H ATOM 1895 H LEU B 23 12.179 5.989 15.496 1.00 0.00 H ATOM 1896 N LEU B 24 14.347 6.798 12.017 1.00 18.29 N ATOM 1897 CA LEU B 24 14.563 6.125 10.741 1.00 18.54 C ATOM 1898 C LEU B 24 15.911 5.412 10.822 1.00 18.42 C ATOM 1899 O LEU B 24 16.951 6.068 10.920 1.00 17.55 O ATOM 1900 CB LEU B 24 14.555 7.122 9.587 1.00 18.35 C ATOM 1901 CG LEU B 24 13.299 7.995 9.485 1.00 18.87 C ATOM 1902 CD1 LEU B 24 13.397 8.902 8.268 1.00 20.55 C ATOM 1903 CD2 LEU B 24 12.039 7.132 9.435 1.00 19.69 C ATOM 1904 HA LEU B 24 13.760 5.412 10.553 1.00 0.00 H ATOM 1905 HB2 LEU B 24 15.415 7.781 9.705 1.00 0.00 H ATOM 1906 HB3 LEU B 24 14.653 6.562 8.657 1.00 0.00 H ATOM 1907 HG LEU B 24 13.230 8.620 10.375 1.00 0.00 H ATOM 1908 HD21 LEU B 24 12.083 6.477 8.565 1.00 0.00 H ATOM 1909 HD22 LEU B 24 11.976 6.530 10.342 1.00 0.00 H ATOM 1910 HD23 LEU B 24 11.162 7.775 9.363 1.00 0.00 H ATOM 1911 HD11 LEU B 24 14.274 9.542 8.363 1.00 0.00 H ATOM 1912 HD12 LEU B 24 13.486 8.293 7.369 1.00 0.00 H ATOM 1913 HD13 LEU B 24 12.501 9.519 8.203 1.00 0.00 H ATOM 1914 H LEU B 24 14.567 7.811 12.106 1.00 0.00 H ATOM 1915 N ASP B 25 15.883 4.082 10.809 1.00 18.60 N ATOM 1916 CA ASP B 25 17.045 3.296 11.226 1.00 18.48 C ATOM 1917 C ASP B 25 17.486 2.288 10.174 1.00 17.96 C ATOM 1918 O ASP B 25 16.909 1.214 10.044 1.00 18.95 O ATOM 1919 CB ASP B 25 16.749 2.554 12.529 1.00 18.55 C ATOM 1920 CG ASP B 25 17.969 1.818 13.060 1.00 20.08 C ATOM 1921 OD1 ASP B 25 19.063 1.938 12.451 1.00 19.65 O ATOM 1922 OD2 ASP B 25 17.835 1.149 14.111 1.00 21.14 O ATOM 1923 HA ASP B 25 17.858 4.007 11.370 1.00 0.00 H ATOM 1924 HB2 ASP B 25 16.420 3.275 13.277 1.00 0.00 H ATOM 1925 HB3 ASP B 25 15.953 1.831 12.349 1.00 0.00 H ATOM 1926 H ASP B 25 15.020 3.592 10.497 1.00 0.00 H ATOM 1927 N THR B 26 18.545 2.633 9.449 1.00 17.46 N ATOM 1928 CA THR B 26 19.084 1.771 8.403 1.00 17.41 C ATOM 1929 C THR B 26 19.751 0.524 8.977 1.00 17.06 C ATOM 1930 O THR B 26 19.971 -0.448 8.256 1.00 17.82 O ATOM 1931 CB THR B 26 20.082 2.525 7.526 1.00 17.58 C ATOM 1932 OG1 THR B 26 21.177 2.993 8.328 1.00 16.78 O ATOM 1933 CG2 THR B 26 19.387 3.711 6.867 1.00 18.43 C ATOM 1934 HA THR B 26 18.237 1.457 7.793 1.00 0.00 H ATOM 1935 HB THR B 26 20.463 1.854 6.756 1.00 0.00 H ATOM 1936 HG1 THR B 26 21.630 2.220 8.750 1.00 0.00 H ATOM 1937 HG23 THR B 26 18.557 3.352 6.259 1.00 0.00 H ATOM 1938 HG21 THR B 26 19.011 4.384 7.637 1.00 0.00 H ATOM 1939 HG22 THR B 26 20.099 4.242 6.235 1.00 0.00 H ATOM 1940 H THR B 26 19.005 3.548 9.633 1.00 0.00 H ATOM 1941 N GLY B 27 20.053 0.545 10.272 1.00 16.54 N ATOM 1942 CA GLY B 27 20.611 -0.609 10.953 1.00 17.43 C ATOM 1943 C GLY B 27 19.583 -1.556 11.541 1.00 17.49 C ATOM 1944 O GLY B 27 19.957 -2.463 12.279 1.00 18.97 O ATOM 1945 HA3 GLY B 27 21.246 -0.251 11.763 1.00 0.00 H ATOM 1946 HA2 GLY B 27 21.216 -1.166 10.238 1.00 0.00 H ATOM 1947 H GLY B 27 19.884 1.416 10.814 1.00 0.00 H ATOM 1948 N ALA B 28 18.309 -1.347 11.209 1.00 18.16 N ATOM 1949 CA ALA B 28 17.225 -2.188 11.702 1.00 17.44 C ATOM 1950 C ALA B 28 16.583 -2.977 10.555 1.00 17.87 C ATOM 1951 O ALA B 28 16.114 -2.391 9.582 1.00 17.97 O ATOM 1952 CB ALA B 28 16.185 -1.331 12.397 1.00 19.02 C ATOM 1953 HA ALA B 28 17.636 -2.902 12.416 1.00 0.00 H ATOM 1954 HB1 ALA B 28 16.647 -0.810 13.235 1.00 0.00 H ATOM 1955 HB2 ALA B 28 15.785 -0.603 11.691 1.00 0.00 H ATOM 1956 HB3 ALA B 28 15.378 -1.966 12.763 1.00 0.00 H ATOM 1957 H ALA B 28 18.080 -0.555 10.575 1.00 0.00 H ATOM 1958 N ASP B 29 16.574 -4.303 10.667 1.00 17.55 N ATOM 1959 CA ASP B 29 15.897 -5.128 9.669 1.00 17.52 C ATOM 1960 C ASP B 29 14.389 -4.893 9.711 1.00 17.97 C ATOM 1961 O ASP B 29 13.707 -4.918 8.675 1.00 18.14 O ATOM 1962 CB ASP B 29 16.104 -6.626 9.946 1.00 17.05 C ATOM 1963 CG ASP B 29 17.514 -7.125 9.664 1.00 17.01 C ATOM 1964 OD1 ASP B 29 18.426 -6.327 9.351 1.00 18.37 O ATOM 1965 OD2 ASP B 29 17.693 -8.358 9.773 1.00 17.82 O ATOM 1966 HA ASP B 29 16.320 -4.851 8.703 1.00 0.00 H ATOM 1967 HB2 ASP B 29 15.878 -6.814 10.996 1.00 0.00 H ATOM 1968 HB3 ASP B 29 15.411 -7.188 9.320 1.00 0.00 H ATOM 1969 H ASP B 29 17.053 -4.756 11.472 1.00 0.00 H ATOM 1970 N ASP B 30 13.889 -4.742 10.938 1.00 17.53 N ATOM 1971 CA ASP B 30 12.471 -4.719 11.277 1.00 18.46 C ATOM 1972 C ASP B 30 12.084 -3.382 11.905 1.00 18.22 C ATOM 1973 O ASP B 30 12.950 -2.638 12.386 1.00 19.21 O ATOM 1974 CB ASP B 30 12.176 -5.833 12.292 1.00 18.40 C ATOM 1975 CG ASP B 30 12.403 -7.224 11.724 1.00 20.97 C ATOM 1976 OD1 ASP B 30 12.233 -7.423 10.501 1.00 21.50 O ATOM 1977 OD2 ASP B 30 12.730 -8.131 12.513 1.00 24.09 O ATOM 1978 HA ASP B 30 11.897 -4.865 10.362 1.00 0.00 H ATOM 1979 HB2 ASP B 30 12.827 -5.699 13.156 1.00 0.00 H ATOM 1980 HB3 ASP B 30 11.136 -5.751 12.607 1.00 0.00 H ATOM 1981 H ASP B 30 14.567 -4.631 11.719 1.00 0.00 H ATOM 1982 N THR B 31 10.776 -3.120 11.904 1.00 18.98 N ATOM 1983 CA THR B 31 10.182 -1.952 12.536 1.00 18.58 C ATOM 1984 C THR B 31 9.677 -2.366 13.912 1.00 18.54 C ATOM 1985 O THR B 31 8.945 -3.354 14.037 1.00 18.68 O ATOM 1986 CB THR B 31 9.043 -1.404 11.650 1.00 18.21 C ATOM 1987 OG1 THR B 31 9.616 -0.846 10.459 1.00 18.83 O ATOM 1988 CG2 THR B 31 8.201 -0.349 12.365 1.00 18.22 C ATOM 1989 HA THR B 31 10.915 -1.154 12.652 1.00 0.00 H ATOM 1990 HB THR B 31 8.375 -2.230 11.408 1.00 0.00 H ATOM 1991 HG1 THR B 31 10.113 -1.550 9.972 1.00 0.00 H ATOM 1992 HG23 THR B 31 7.770 -0.781 13.268 1.00 0.00 H ATOM 1993 HG21 THR B 31 8.833 0.498 12.632 1.00 0.00 H ATOM 1994 HG22 THR B 31 7.402 -0.014 11.704 1.00 0.00 H ATOM 1995 H THR B 31 10.143 -3.791 11.423 1.00 0.00 H ATOM 1996 N VAL B 32 10.076 -1.608 14.931 1.00 18.44 N ATOM 1997 CA VAL B 32 9.829 -1.960 16.322 1.00 18.67 C ATOM 1998 C VAL B 32 9.234 -0.756 17.039 1.00 19.16 C ATOM 1999 O VAL B 32 9.860 0.305 17.126 1.00 18.46 O ATOM 2000 CB VAL B 32 11.133 -2.365 17.048 1.00 18.68 C ATOM 2001 CG1 VAL B 32 10.818 -2.892 18.453 1.00 18.15 C ATOM 2002 CG2 VAL B 32 11.884 -3.420 16.246 1.00 18.22 C ATOM 2003 HA VAL B 32 9.145 -2.808 16.338 1.00 0.00 H ATOM 2004 HB VAL B 32 11.766 -1.482 17.139 1.00 0.00 H ATOM 2005 HG11 VAL B 32 10.317 -2.113 19.028 1.00 0.00 H ATOM 2006 HG12 VAL B 32 10.168 -3.763 18.375 1.00 0.00 H ATOM 2007 HG13 VAL B 32 11.746 -3.173 18.951 1.00 0.00 H ATOM 2008 HG21 VAL B 32 11.254 -4.302 16.129 1.00 0.00 H ATOM 2009 HG22 VAL B 32 12.135 -3.018 15.264 1.00 0.00 H ATOM 2010 HG23 VAL B 32 12.799 -3.692 16.773 1.00 0.00 H ATOM 2011 H VAL B 32 10.586 -0.726 14.724 1.00 0.00 H ATOM 2012 N LEU B 33 8.021 -0.941 17.545 1.00 19.40 N ATOM 2013 CA LEU B 33 7.267 0.142 18.154 1.00 20.15 C ATOM 2014 C LEU B 33 7.150 -0.089 19.646 1.00 19.89 C ATOM 2015 O LEU B 33 7.091 -1.230 20.112 1.00 18.94 O ATOM 2016 CB LEU B 33 5.884 0.263 17.517 1.00 19.94 C ATOM 2017 CG LEU B 33 5.839 0.556 16.016 1.00 22.00 C ATOM 2018 CD1 LEU B 33 4.393 0.848 15.616 1.00 24.38 C ATOM 2019 CD2 LEU B 33 6.737 1.703 15.607 1.00 22.32 C ATOM 2020 HA LEU B 33 7.798 1.079 17.983 1.00 0.00 H ATOM 2021 HB2 LEU B 33 5.360 -0.678 17.686 1.00 0.00 H ATOM 2022 HB3 LEU B 33 5.355 1.069 18.027 1.00 0.00 H ATOM 2023 HG LEU B 33 6.214 -0.324 15.494 1.00 0.00 H ATOM 2024 HD21 LEU B 33 6.429 2.608 16.130 1.00 0.00 H ATOM 2025 HD22 LEU B 33 7.769 1.465 15.867 1.00 0.00 H ATOM 2026 HD23 LEU B 33 6.658 1.859 14.531 1.00 0.00 H ATOM 2027 HD11 LEU B 33 3.772 -0.019 15.843 1.00 0.00 H ATOM 2028 HD12 LEU B 33 4.031 1.712 16.173 1.00 0.00 H ATOM 2029 HD13 LEU B 33 4.348 1.058 14.547 1.00 0.00 H ATOM 2030 H LEU B 33 7.597 -1.890 17.504 1.00 0.00 H ATOM 2031 N GLU B 34 7.138 1.012 20.391 1.00 20.96 N ATOM 2032 CA GLU B 34 6.811 0.973 21.804 1.00 22.57 C ATOM 2033 C GLU B 34 5.419 0.370 21.953 1.00 23.59 C ATOM 2034 O GLU B 34 4.613 0.396 21.017 1.00 24.36 O ATOM 2035 CB GLU B 34 6.856 2.382 22.397 1.00 22.29 C ATOM 2036 CG GLU B 34 8.265 2.975 22.436 1.00 23.35 C ATOM 2037 CD GLU B 34 8.282 4.484 22.591 1.00 23.62 C ATOM 2038 OE1 GLU B 34 7.221 5.082 22.867 1.00 25.95 O ATOM 2039 OE2 GLU B 34 9.374 5.073 22.444 1.00 26.49 O ATOM 2040 HA GLU B 34 7.537 0.364 22.342 1.00 0.00 H ATOM 2041 HB2 GLU B 34 6.223 3.032 21.794 1.00 0.00 H ATOM 2042 HB3 GLU B 34 6.468 2.342 23.415 1.00 0.00 H ATOM 2043 HG2 GLU B 34 8.802 2.535 23.277 1.00 0.00 H ATOM 2044 HG3 GLU B 34 8.774 2.717 21.507 1.00 0.00 H ATOM 2045 H GLU B 34 7.369 1.925 19.950 1.00 0.00 H ATOM 2046 N GLU B 35 5.153 -0.174 23.136 1.00 24.57 N ATOM 2047 CA GLU B 35 3.871 -0.799 23.436 1.00 24.94 C ATOM 2048 C GLU B 35 2.715 0.004 22.849 1.00 25.38 C ATOM 2049 O GLU B 35 2.574 1.202 23.100 1.00 25.15 O ATOM 2050 CB GLU B 35 3.688 -0.936 24.943 1.00 25.38 C ATOM 2051 HA GLU B 35 3.869 -1.789 22.981 1.00 0.00 H ATOM 2052 HB2 GLU B 35 4.489 -1.553 25.350 1.00 0.00 H ATOM 2053 HB3 GLU B 35 3.719 0.052 25.403 1.00 0.00 H ATOM 2054 H GLU B 35 5.886 -0.153 23.874 1.00 0.00 H ATOM 2055 N MET B 36 1.904 -0.673 22.046 1.00 26.06 N ATOM 2056 CA MET B 36 0.613 -0.149 21.645 1.00 27.12 C ATOM 2057 C MET B 36 -0.281 -1.307 21.241 1.00 26.57 C ATOM 2058 O MET B 36 0.198 -2.360 20.819 1.00 26.74 O ATOM 2059 CB MET B 36 0.758 0.830 20.482 1.00 27.43 C ATOM 2060 CG MET B 36 1.239 0.207 19.188 1.00 28.17 C ATOM 2061 SD MET B 36 1.293 1.432 17.867 1.00 31.53 S ATOM 2062 CE MET B 36 -0.395 2.028 17.820 1.00 31.30 C ATOM 2063 HA MET B 36 0.171 0.390 22.483 1.00 0.00 H ATOM 2064 HB2 MET B 36 -0.215 1.287 20.299 1.00 0.00 H ATOM 2065 HB3 MET B 36 1.471 1.601 20.774 1.00 0.00 H ATOM 2066 HG2 MET B 36 0.559 -0.596 18.903 1.00 0.00 H ATOM 2067 HG3 MET B 36 2.238 -0.201 19.338 1.00 0.00 H ATOM 2068 HE1 MET B 36 -1.066 1.198 17.600 1.00 0.00 H ATOM 2069 HE2 MET B 36 -0.654 2.460 18.787 1.00 0.00 H ATOM 2070 HE3 MET B 36 -0.489 2.788 17.045 1.00 0.00 H ATOM 2071 H MET B 36 2.203 -1.605 21.695 1.00 0.00 H ATOM 2072 N ASN B 37 -1.585 -1.102 21.372 1.00 26.82 N ATOM 2073 CA ASN B 37 -2.534 -2.120 20.975 1.00 26.53 C ATOM 2074 C ASN B 37 -2.750 -1.972 19.475 1.00 26.42 C ATOM 2075 O ASN B 37 -3.170 -0.909 19.003 1.00 27.87 O ATOM 2076 CB ASN B 37 -3.849 -1.956 21.746 1.00 26.93 C ATOM 2077 CG ASN B 37 -4.555 -3.276 22.002 1.00 28.23 C ATOM 2078 OD1 ASN B 37 -5.756 -3.297 22.278 1.00 30.71 O ATOM 2079 ND2 ASN B 37 -3.824 -4.380 21.913 1.00 30.41 N ATOM 2080 HA ASN B 37 -2.156 -3.117 21.203 1.00 0.00 H ATOM 2081 HB2 ASN B 37 -3.633 -1.485 22.705 1.00 0.00 H ATOM 2082 HB3 ASN B 37 -4.513 -1.313 21.168 1.00 0.00 H ATOM 2083 HD22 ASN B 37 -2.813 -4.317 21.677 1.00 0.00 H ATOM 2084 HD21 ASN B 37 -4.262 -5.309 22.079 1.00 0.00 H ATOM 2085 H ASN B 37 -1.928 -0.202 21.763 1.00 0.00 H ATOM 2086 N LEU B 38 -2.434 -3.031 18.736 1.00 24.89 N ATOM 2087 CA LEU B 38 -2.680 -3.086 17.303 1.00 23.98 C ATOM 2088 C LEU B 38 -3.730 -4.152 17.037 1.00 23.45 C ATOM 2089 O LEU B 38 -3.854 -5.119 17.794 1.00 22.27 O ATOM 2090 CB LEU B 38 -1.400 -3.424 16.530 1.00 24.21 C ATOM 2091 CG LEU B 38 -0.346 -2.318 16.440 1.00 23.80 C ATOM 2092 CD1 LEU B 38 0.923 -2.791 15.737 1.00 24.28 C ATOM 2093 CD2 LEU B 38 -0.891 -1.117 15.717 1.00 24.37 C ATOM 2094 HA LEU B 38 -3.026 -2.109 16.965 1.00 0.00 H ATOM 2095 HB2 LEU B 38 -0.938 -4.284 17.014 1.00 0.00 H ATOM 2096 HB3 LEU B 38 -1.687 -3.692 15.513 1.00 0.00 H ATOM 2097 HG LEU B 38 -0.091 -2.046 17.464 1.00 0.00 H ATOM 2098 HD21 LEU B 38 -1.186 -1.405 14.708 1.00 0.00 H ATOM 2099 HD22 LEU B 38 -1.758 -0.733 16.255 1.00 0.00 H ATOM 2100 HD23 LEU B 38 -0.123 -0.345 15.666 1.00 0.00 H ATOM 2101 HD11 LEU B 38 1.353 -3.627 16.289 1.00 0.00 H ATOM 2102 HD12 LEU B 38 0.678 -3.111 14.724 1.00 0.00 H ATOM 2103 HD13 LEU B 38 1.641 -1.972 15.697 1.00 0.00 H ATOM 2104 H LEU B 38 -1.994 -3.851 19.200 1.00 0.00 H ATOM 2105 N PRO B 39 -4.481 -3.981 15.943 1.00 23.14 N ATOM 2106 CA PRO B 39 -5.531 -4.937 15.639 1.00 23.02 C ATOM 2107 C PRO B 39 -5.010 -6.209 14.996 1.00 22.41 C ATOM 2108 O PRO B 39 -3.949 -6.216 14.364 1.00 23.32 O ATOM 2109 CB PRO B 39 -6.419 -4.183 14.648 1.00 22.61 C ATOM 2110 CG PRO B 39 -5.508 -3.236 13.978 1.00 23.41 C ATOM 2111 CD PRO B 39 -4.405 -2.905 14.938 1.00 23.43 C ATOM 2112 HA PRO B 39 -6.041 -5.266 16.544 1.00 0.00 H ATOM 2113 HD3 PRO B 39 -3.438 -2.910 14.436 1.00 0.00 H ATOM 2114 HD2 PRO B 39 -4.569 -1.931 15.398 1.00 0.00 H ATOM 2115 HG3 PRO B 39 -6.049 -2.329 13.707 1.00 0.00 H ATOM 2116 HG2 PRO B 39 -5.093 -3.693 13.079 1.00 0.00 H ATOM 2117 HB2 PRO B 39 -6.860 -4.870 13.926 1.00 0.00 H ATOM 2118 HB3 PRO B 39 -7.213 -3.649 15.171 1.00 0.00 H ATOM 2119 N GLY B 40 -5.773 -7.280 15.180 1.00 22.56 N ATOM 2120 CA GLY B 40 -5.516 -8.541 14.505 1.00 22.19 C ATOM 2121 C GLY B 40 -4.601 -9.442 15.305 1.00 22.46 C ATOM 2122 O GLY B 40 -4.250 -9.158 16.457 1.00 22.80 O ATOM 2123 HA3 GLY B 40 -5.051 -8.335 13.541 1.00 0.00 H ATOM 2124 HA2 GLY B 40 -6.464 -9.055 14.347 1.00 0.00 H ATOM 2125 H GLY B 40 -6.582 -7.214 15.830 1.00 0.00 H ATOM 2126 N LYS B 41 -4.210 -10.535 14.662 1.00 22.01 N ATOM 2127 CA LYS B 41 -3.483 -11.596 15.336 1.00 21.77 C ATOM 2128 C LYS B 41 -2.008 -11.237 15.383 1.00 21.60 C ATOM 2129 O LYS B 41 -1.505 -10.524 14.511 1.00 21.52 O ATOM 2130 CB LYS B 41 -3.683 -12.914 14.614 1.00 21.67 C ATOM 2131 HA LYS B 41 -3.861 -11.705 16.352 1.00 0.00 H ATOM 2132 HB2 LYS B 41 -4.744 -13.162 14.601 1.00 0.00 H ATOM 2133 HB3 LYS B 41 -3.317 -12.826 13.591 1.00 0.00 H ATOM 2134 H LYS B 41 -4.430 -10.634 13.650 1.00 0.00 H ATOM 2135 N TRP B 42 -1.330 -11.743 16.407 1.00 21.18 N ATOM 2136 CA TRP B 42 0.116 -11.559 16.522 1.00 21.21 C ATOM 2137 C TRP B 42 0.761 -12.854 16.968 1.00 20.97 C ATOM 2138 O TRP B 42 0.101 -13.735 17.524 1.00 19.74 O ATOM 2139 CB TRP B 42 0.454 -10.453 17.519 1.00 22.85 C ATOM 2140 CG TRP B 42 -0.024 -10.741 18.905 1.00 23.88 C ATOM 2141 CD1 TRP B 42 -1.246 -10.429 19.422 1.00 25.15 C ATOM 2142 CD2 TRP B 42 0.696 -11.411 19.950 1.00 24.51 C ATOM 2143 NE1 TRP B 42 -1.332 -10.856 20.725 1.00 26.09 N ATOM 2144 CE2 TRP B 42 -0.154 -11.463 21.074 1.00 25.33 C ATOM 2145 CE3 TRP B 42 1.976 -11.969 20.045 1.00 24.08 C ATOM 2146 CZ2 TRP B 42 0.234 -12.051 22.278 1.00 25.30 C ATOM 2147 CZ3 TRP B 42 2.358 -12.550 21.238 1.00 24.71 C ATOM 2148 CH2 TRP B 42 1.494 -12.587 22.339 1.00 24.77 C ATOM 2149 HA TRP B 42 0.500 -11.270 15.544 1.00 0.00 H ATOM 2150 HB2 TRP B 42 1.537 -10.329 17.545 1.00 0.00 H ATOM 2151 HB3 TRP B 42 -0.009 -9.527 17.179 1.00 0.00 H ATOM 2152 HE1 TRP B 42 -2.158 -10.738 21.346 1.00 0.00 H ATOM 2153 HD1 TRP B 42 -2.040 -9.915 18.880 1.00 0.00 H ATOM 2154 HZ2 TRP B 42 -0.438 -12.083 23.136 1.00 0.00 H ATOM 2155 HH2 TRP B 42 1.831 -13.052 23.265 1.00 0.00 H ATOM 2156 HZ3 TRP B 42 3.352 -12.989 21.324 1.00 0.00 H ATOM 2157 HE3 TRP B 42 2.657 -11.945 19.195 1.00 0.00 H ATOM 2158 H TRP B 42 -1.837 -12.280 17.140 1.00 0.00 H ATOM 2159 N LYS B 43 2.060 -12.962 16.717 1.00 20.37 N ATOM 2160 CA LYS B 43 2.822 -14.091 17.219 1.00 20.43 C ATOM 2161 C LYS B 43 4.154 -13.594 17.755 1.00 20.48 C ATOM 2162 O LYS B 43 4.645 -12.540 17.329 1.00 19.50 O ATOM 2163 CB LYS B 43 3.029 -15.159 16.144 1.00 20.52 C ATOM 2164 CG LYS B 43 3.865 -14.735 14.946 1.00 20.55 C ATOM 2165 CD LYS B 43 3.978 -15.869 13.939 1.00 20.81 C ATOM 2166 CE LYS B 43 4.954 -15.552 12.812 1.00 21.74 C ATOM 2167 NZ LYS B 43 6.262 -16.267 12.941 1.00 23.56 N ATOM 2168 HA LYS B 43 2.258 -14.562 18.024 1.00 0.00 H ATOM 2169 HB2 LYS B 43 3.520 -16.013 16.610 1.00 0.00 H ATOM 2170 HB3 LYS B 43 2.048 -15.461 15.778 1.00 0.00 H ATOM 2171 HG2 LYS B 43 3.394 -13.877 14.467 1.00 0.00 H ATOM 2172 HG3 LYS B 43 4.863 -14.458 15.286 1.00 0.00 H ATOM 2173 HD2 LYS B 43 4.321 -16.765 14.457 1.00 0.00 H ATOM 2174 HD3 LYS B 43 2.994 -16.054 13.508 1.00 0.00 H ATOM 2175 HE2 LYS B 43 5.145 -14.479 12.811 1.00 0.00 H ATOM 2176 HE3 LYS B 43 4.495 -15.839 11.866 1.00 0.00 H ATOM 2177 HZ1 LYS B 43 6.718 -15.995 13.836 1.00 0.00 H ATOM 2178 HZ2 LYS B 43 6.097 -17.294 12.933 1.00 0.00 H ATOM 2179 HZ3 LYS B 43 6.878 -16.007 12.144 1.00 0.00 H ATOM 2180 H LYS B 43 2.537 -12.229 16.154 1.00 0.00 H ATOM 2181 N PRO B 44 4.719 -14.335 18.718 1.00 20.76 N ATOM 2182 CA PRO B 44 6.014 -13.923 19.234 1.00 21.06 C ATOM 2183 C PRO B 44 7.126 -14.020 18.197 1.00 21.24 C ATOM 2184 O PRO B 44 7.100 -14.886 17.324 1.00 20.89 O ATOM 2185 CB PRO B 44 6.292 -14.910 20.373 1.00 21.76 C ATOM 2186 CG PRO B 44 5.019 -15.583 20.655 1.00 22.35 C ATOM 2187 CD PRO B 44 4.194 -15.527 19.408 1.00 21.48 C ATOM 2188 HA PRO B 44 5.993 -12.878 19.542 1.00 0.00 H ATOM 2189 HD3 PRO B 44 4.334 -16.424 18.804 1.00 0.00 H ATOM 2190 HD2 PRO B 44 3.136 -15.410 19.642 1.00 0.00 H ATOM 2191 HG3 PRO B 44 4.501 -15.074 21.468 1.00 0.00 H ATOM 2192 HG2 PRO B 44 5.200 -16.621 20.935 1.00 0.00 H ATOM 2193 HB2 PRO B 44 7.044 -15.637 20.067 1.00 0.00 H ATOM 2194 HB3 PRO B 44 6.642 -14.377 21.257 1.00 0.00 H ATOM 2195 N LYS B 45 8.098 -13.124 18.320 1.00 20.73 N ATOM 2196 CA LYS B 45 9.321 -13.175 17.528 1.00 20.69 C ATOM 2197 C LYS B 45 10.458 -12.775 18.451 1.00 20.45 C ATOM 2198 O LYS B 45 10.271 -11.936 19.335 1.00 20.84 O ATOM 2199 CB LYS B 45 9.238 -12.207 16.344 1.00 20.79 C ATOM 2200 CG LYS B 45 10.496 -12.147 15.481 1.00 20.57 C ATOM 2201 CD LYS B 45 10.317 -11.228 14.282 1.00 20.60 C ATOM 2202 CE LYS B 45 11.505 -11.285 13.336 1.00 21.14 C ATOM 2203 NZ LYS B 45 11.493 -12.502 12.486 1.00 21.94 N ATOM 2204 HA LYS B 45 9.476 -14.175 17.122 1.00 0.00 H ATOM 2205 HB2 LYS B 45 8.406 -12.515 15.711 1.00 0.00 H ATOM 2206 HB3 LYS B 45 9.046 -11.208 16.735 1.00 0.00 H ATOM 2207 HG2 LYS B 45 11.323 -11.778 16.088 1.00 0.00 H ATOM 2208 HG3 LYS B 45 10.728 -13.151 15.125 1.00 0.00 H ATOM 2209 HD2 LYS B 45 9.421 -11.528 13.739 1.00 0.00 H ATOM 2210 HD3 LYS B 45 10.199 -10.204 14.638 1.00 0.00 H ATOM 2211 HE2 LYS B 45 12.422 -11.278 13.925 1.00 0.00 H ATOM 2212 HE3 LYS B 45 11.482 -10.407 12.691 1.00 0.00 H ATOM 2213 HZ1 LYS B 45 11.523 -13.347 13.092 1.00 0.00 H ATOM 2214 HZ2 LYS B 45 10.625 -12.515 11.914 1.00 0.00 H ATOM 2215 HZ3 LYS B 45 12.323 -12.494 11.859 1.00 0.00 H ATOM 2216 H LYS B 45 7.982 -12.354 19.010 1.00 0.00 H ATOM 2217 N MET B 46 11.624 -13.381 18.248 1.00 20.06 N ATOM 2218 CA MET B 46 12.831 -12.989 18.965 1.00 20.12 C ATOM 2219 C MET B 46 13.678 -12.170 18.005 1.00 20.04 C ATOM 2220 O MET B 46 13.997 -12.629 16.903 1.00 20.03 O ATOM 2221 CB MET B 46 13.608 -14.224 19.412 1.00 20.82 C ATOM 2222 CG MET B 46 12.861 -15.100 20.391 1.00 22.16 C ATOM 2223 SD MET B 46 12.782 -14.341 22.019 1.00 27.20 S ATOM 2224 CE MET B 46 14.436 -14.677 22.618 1.00 27.87 C ATOM 2225 HA MET B 46 12.576 -12.412 19.854 1.00 0.00 H ATOM 2226 HB2 MET B 46 13.843 -14.819 18.530 1.00 0.00 H ATOM 2227 HB3 MET B 46 14.534 -13.895 19.884 1.00 0.00 H ATOM 2228 HG2 MET B 46 13.372 -16.060 20.471 1.00 0.00 H ATOM 2229 HG3 MET B 46 11.847 -15.259 20.024 1.00 0.00 H ATOM 2230 HE1 MET B 46 14.600 -15.754 22.643 1.00 0.00 H ATOM 2231 HE2 MET B 46 15.163 -14.213 21.952 1.00 0.00 H ATOM 2232 HE3 MET B 46 14.548 -14.268 23.622 1.00 0.00 H ATOM 2233 H MET B 46 11.676 -14.157 17.558 1.00 0.00 H ATOM 2234 N ILE B 47 14.046 -10.968 18.431 1.00 19.36 N ATOM 2235 CA ILE B 47 14.936 -10.099 17.661 1.00 19.19 C ATOM 2236 C ILE B 47 16.130 -9.692 18.500 1.00 18.88 C ATOM 2237 O ILE B 47 16.060 -9.673 19.725 1.00 18.24 O ATOM 2238 CB ILE B 47 14.221 -8.844 17.123 1.00 19.65 C ATOM 2239 CG1 ILE B 47 13.675 -7.969 18.251 1.00 18.39 C ATOM 2240 CG2 ILE B 47 13.102 -9.254 16.176 1.00 19.67 C ATOM 2241 CD1 ILE B 47 12.992 -6.715 17.776 1.00 19.54 C ATOM 2242 HA ILE B 47 15.271 -10.676 16.799 1.00 0.00 H ATOM 2243 HB ILE B 47 14.954 -8.248 16.580 1.00 0.00 H ATOM 2244 HG12 ILE B 47 12.956 -8.556 18.823 1.00 0.00 H ATOM 2245 HG13 ILE B 47 14.505 -7.684 18.897 1.00 0.00 H ATOM 2246 HD11 ILE B 47 13.700 -6.109 17.211 1.00 0.00 H ATOM 2247 HD12 ILE B 47 12.150 -6.981 17.138 1.00 0.00 H ATOM 2248 HD13 ILE B 47 12.633 -6.150 18.636 1.00 0.00 H ATOM 2249 HG21 ILE B 47 13.522 -9.816 15.342 1.00 0.00 H ATOM 2250 HG22 ILE B 47 12.385 -9.877 16.711 1.00 0.00 H ATOM 2251 HG23 ILE B 47 12.601 -8.362 15.800 1.00 0.00 H ATOM 2252 H ILE B 47 13.688 -10.631 19.347 1.00 0.00 H ATOM 2253 N VAL B 48 17.227 -9.350 17.831 1.00 18.26 N ATOM 2254 CA VAL B 48 18.459 -9.048 18.543 1.00 18.36 C ATOM 2255 C VAL B 48 18.802 -7.567 18.419 1.00 17.63 C ATOM 2256 O VAL B 48 18.748 -7.011 17.326 1.00 17.43 O ATOM 2257 CB VAL B 48 19.628 -9.923 18.044 1.00 18.33 C ATOM 2258 CG1 VAL B 48 19.745 -9.896 16.538 1.00 18.97 C ATOM 2259 CG2 VAL B 48 20.928 -9.532 18.724 1.00 19.19 C ATOM 2260 HA VAL B 48 18.299 -9.279 19.596 1.00 0.00 H ATOM 2261 HB VAL B 48 19.412 -10.955 18.320 1.00 0.00 H ATOM 2262 HG11 VAL B 48 18.822 -10.272 16.096 1.00 0.00 H ATOM 2263 HG12 VAL B 48 19.917 -8.872 16.207 1.00 0.00 H ATOM 2264 HG13 VAL B 48 20.580 -10.525 16.228 1.00 0.00 H ATOM 2265 HG21 VAL B 48 21.152 -8.488 18.503 1.00 0.00 H ATOM 2266 HG22 VAL B 48 20.827 -9.663 19.801 1.00 0.00 H ATOM 2267 HG23 VAL B 48 21.735 -10.165 18.354 1.00 0.00 H ATOM 2268 H VAL B 48 17.204 -9.298 16.793 1.00 0.00 H ATOM 2269 N GLY B 49 19.114 -6.939 19.550 1.00 17.51 N ATOM 2270 CA GLY B 49 19.700 -5.600 19.570 1.00 17.91 C ATOM 2271 C GLY B 49 21.084 -5.654 20.194 1.00 17.43 C ATOM 2272 O GLY B 49 21.627 -6.734 20.449 1.00 16.45 O ATOM 2273 HA3 GLY B 49 19.065 -4.935 20.155 1.00 0.00 H ATOM 2274 HA2 GLY B 49 19.777 -5.223 18.550 1.00 0.00 H ATOM 2275 H GLY B 49 18.934 -7.419 20.455 1.00 0.00 H ATOM 2276 N ILE B 50 21.645 -4.485 20.468 1.00 17.28 N ATOM 2277 CA ILE B 50 22.999 -4.416 21.006 1.00 17.27 C ATOM 2278 C ILE B 50 23.202 -5.286 22.250 1.00 17.46 C ATOM 2279 O ILE B 50 24.275 -5.876 22.408 1.00 18.19 O ATOM 2280 CB ILE B 50 23.438 -2.967 21.279 1.00 17.56 C ATOM 2281 CG1 ILE B 50 24.958 -2.878 21.384 1.00 18.36 C ATOM 2282 CG2 ILE B 50 22.744 -2.391 22.514 1.00 17.97 C ATOM 2283 CD1 ILE B 50 25.660 -2.958 20.039 1.00 19.61 C ATOM 2284 HA ILE B 50 23.640 -4.826 20.226 1.00 0.00 H ATOM 2285 HB ILE B 50 23.127 -2.354 20.433 1.00 0.00 H ATOM 2286 HG12 ILE B 50 25.217 -1.929 21.854 1.00 0.00 H ATOM 2287 HG13 ILE B 50 25.311 -3.699 22.008 1.00 0.00 H ATOM 2288 HD11 ILE B 50 25.419 -3.907 19.561 1.00 0.00 H ATOM 2289 HD12 ILE B 50 25.326 -2.136 19.407 1.00 0.00 H ATOM 2290 HD13 ILE B 50 26.737 -2.888 20.188 1.00 0.00 H ATOM 2291 HG21 ILE B 50 21.665 -2.401 22.361 1.00 0.00 H ATOM 2292 HG22 ILE B 50 22.994 -2.997 23.385 1.00 0.00 H ATOM 2293 HG23 ILE B 50 23.080 -1.367 22.673 1.00 0.00 H ATOM 2294 H ILE B 50 21.114 -3.607 20.298 1.00 0.00 H ATOM 2295 N GLY B 51 22.193 -5.367 23.114 1.00 17.22 N ATOM 2296 CA GLY B 51 22.305 -6.122 24.364 1.00 16.83 C ATOM 2297 C GLY B 51 21.857 -7.570 24.295 1.00 17.23 C ATOM 2298 O GLY B 51 21.866 -8.262 25.320 1.00 17.02 O ATOM 2299 HA3 GLY B 51 21.699 -5.618 25.117 1.00 0.00 H ATOM 2300 HA2 GLY B 51 23.350 -6.108 24.673 1.00 0.00 H ATOM 2301 H GLY B 51 21.300 -4.881 22.895 1.00 0.00 H ATOM 2302 N GLY B 52 21.483 -8.030 23.100 1.00 16.62 N ATOM 2303 CA GLY B 52 21.046 -9.406 22.898 1.00 17.06 C ATOM 2304 C GLY B 52 19.599 -9.496 22.454 1.00 16.91 C ATOM 2305 O GLY B 52 19.007 -8.507 22.007 1.00 17.00 O ATOM 2306 HA3 GLY B 52 21.159 -9.950 23.836 1.00 0.00 H ATOM 2307 HA2 GLY B 52 21.675 -9.865 22.135 1.00 0.00 H ATOM 2308 H GLY B 52 21.504 -7.385 22.285 1.00 0.00 H ATOM 2309 N PHE B 53 19.053 -10.703 22.573 1.00 17.77 N ATOM 2310 CA PHE B 53 17.699 -10.992 22.106 1.00 17.55 C ATOM 2311 C PHE B 53 16.616 -10.572 23.097 1.00 18.92 C ATOM 2312 O PHE B 53 16.779 -10.680 24.319 1.00 19.11 O ATOM 2313 CB PHE B 53 17.537 -12.474 21.773 1.00 18.10 C ATOM 2314 CG PHE B 53 18.045 -12.854 20.416 1.00 17.45 C ATOM 2315 CD1 PHE B 53 19.357 -13.273 20.243 1.00 17.24 C ATOM 2316 CD2 PHE B 53 17.223 -12.806 19.309 1.00 17.24 C ATOM 2317 CE1 PHE B 53 19.830 -13.645 18.998 1.00 16.94 C ATOM 2318 CE2 PHE B 53 17.690 -13.173 18.062 1.00 17.48 C ATOM 2319 CZ PHE B 53 18.992 -13.601 17.904 1.00 18.28 C ATOM 2320 HA PHE B 53 17.565 -10.395 21.204 1.00 0.00 H ATOM 2321 HB2 PHE B 53 18.082 -13.054 22.518 1.00 0.00 H ATOM 2322 HB3 PHE B 53 16.477 -12.723 21.824 1.00 0.00 H ATOM 2323 HD2 PHE B 53 16.191 -12.474 19.420 1.00 0.00 H ATOM 2324 HE2 PHE B 53 17.027 -13.124 17.199 1.00 0.00 H ATOM 2325 HZ PHE B 53 19.356 -13.902 16.922 1.00 0.00 H ATOM 2326 HE1 PHE B 53 20.863 -13.972 18.882 1.00 0.00 H ATOM 2327 HD1 PHE B 53 20.026 -13.309 21.103 1.00 0.00 H ATOM 2328 H PHE B 53 19.607 -11.465 23.012 1.00 0.00 H ATOM 2329 N VAL B 54 15.515 -10.084 22.534 1.00 18.41 N ATOM 2330 CA VAL B 54 14.312 -9.776 23.291 1.00 19.15 C ATOM 2331 C VAL B 54 13.116 -10.356 22.545 1.00 19.35 C ATOM 2332 O VAL B 54 13.150 -10.510 21.319 1.00 18.82 O ATOM 2333 CB VAL B 54 14.114 -8.249 23.494 1.00 19.58 C ATOM 2334 CG1 VAL B 54 15.333 -7.627 24.163 1.00 20.74 C ATOM 2335 CG2 VAL B 54 13.811 -7.546 22.177 1.00 19.75 C ATOM 2336 HA VAL B 54 14.408 -10.217 24.283 1.00 0.00 H ATOM 2337 HB VAL B 54 13.254 -8.115 24.150 1.00 0.00 H ATOM 2338 HG11 VAL B 54 15.489 -8.093 25.136 1.00 0.00 H ATOM 2339 HG12 VAL B 54 16.211 -7.787 23.537 1.00 0.00 H ATOM 2340 HG13 VAL B 54 15.168 -6.557 24.293 1.00 0.00 H ATOM 2341 HG21 VAL B 54 14.640 -7.698 21.486 1.00 0.00 H ATOM 2342 HG22 VAL B 54 12.898 -7.959 21.748 1.00 0.00 H ATOM 2343 HG23 VAL B 54 13.679 -6.479 22.358 1.00 0.00 H ATOM 2344 H VAL B 54 15.514 -9.915 21.508 1.00 0.00 H ATOM 2345 N LYS B 55 12.064 -10.670 23.297 1.00 19.74 N ATOM 2346 CA LYS B 55 10.820 -11.167 22.717 1.00 19.42 C ATOM 2347 C LYS B 55 9.864 -10.007 22.444 1.00 19.57 C ATOM 2348 O LYS B 55 9.670 -9.137 23.299 1.00 19.23 O ATOM 2349 CB LYS B 55 10.144 -12.187 23.640 1.00 19.88 C ATOM 2350 CG LYS B 55 9.037 -12.987 22.931 1.00 21.93 C ATOM 2351 CD LYS B 55 7.736 -13.074 23.729 1.00 28.02 C ATOM 2352 CE LYS B 55 7.347 -14.491 24.127 1.00 30.32 C ATOM 2353 NZ LYS B 55 8.526 -15.356 24.416 1.00 33.73 N ATOM 2354 HA LYS B 55 11.065 -11.664 21.778 1.00 0.00 H ATOM 2355 HB2 LYS B 55 10.900 -12.883 24.004 1.00 0.00 H ATOM 2356 HB3 LYS B 55 9.705 -11.656 24.485 1.00 0.00 H ATOM 2357 HG2 LYS B 55 8.824 -12.508 21.975 1.00 0.00 H ATOM 2358 HG3 LYS B 55 9.402 -13.999 22.755 1.00 0.00 H ATOM 2359 HD2 LYS B 55 7.850 -12.482 24.637 1.00 0.00 H ATOM 2360 HD3 LYS B 55 6.933 -12.655 23.122 1.00 0.00 H ATOM 2361 HE2 LYS B 55 6.779 -14.938 23.311 1.00 0.00 H ATOM 2362 HE3 LYS B 55 6.723 -14.443 25.019 1.00 0.00 H ATOM 2363 HZ1 LYS B 55 9.125 -15.417 23.568 1.00 0.00 H ATOM 2364 HZ2 LYS B 55 9.072 -14.945 25.199 1.00 0.00 H ATOM 2365 HZ3 LYS B 55 8.200 -16.307 24.681 1.00 0.00 H ATOM 2366 H LYS B 55 12.130 -10.558 24.329 1.00 0.00 H ATOM 2367 N VAL B 56 9.268 -10.017 21.255 1.00 18.84 N ATOM 2368 CA VAL B 56 8.326 -8.996 20.824 1.00 19.92 C ATOM 2369 C VAL B 56 7.112 -9.667 20.188 1.00 20.50 C ATOM 2370 O VAL B 56 7.112 -10.876 19.952 1.00 19.93 O ATOM 2371 CB VAL B 56 8.996 -8.026 19.827 1.00 19.37 C ATOM 2372 CG1 VAL B 56 10.178 -7.346 20.485 1.00 20.19 C ATOM 2373 CG2 VAL B 56 9.445 -8.751 18.569 1.00 19.82 C ATOM 2374 HA VAL B 56 8.003 -8.416 21.689 1.00 0.00 H ATOM 2375 HB VAL B 56 8.261 -7.275 19.538 1.00 0.00 H ATOM 2376 HG11 VAL B 56 9.836 -6.787 21.356 1.00 0.00 H ATOM 2377 HG12 VAL B 56 10.902 -8.099 20.796 1.00 0.00 H ATOM 2378 HG13 VAL B 56 10.645 -6.664 19.775 1.00 0.00 H ATOM 2379 HG21 VAL B 56 10.163 -9.527 18.835 1.00 0.00 H ATOM 2380 HG22 VAL B 56 8.580 -9.205 18.085 1.00 0.00 H ATOM 2381 HG23 VAL B 56 9.912 -8.039 17.888 1.00 0.00 H ATOM 2382 H VAL B 56 9.487 -10.795 20.600 1.00 0.00 H ATOM 2383 N ARG B 57 6.079 -8.876 19.917 1.00 21.06 N ATOM 2384 CA ARG B 57 4.916 -9.350 19.182 1.00 22.22 C ATOM 2385 C ARG B 57 4.994 -8.869 17.740 1.00 22.44 C ATOM 2386 O ARG B 57 5.296 -7.705 17.500 1.00 22.52 O ATOM 2387 CB ARG B 57 3.628 -8.832 19.828 1.00 22.53 C ATOM 2388 CG ARG B 57 3.571 -9.067 21.335 1.00 24.12 C ATOM 2389 CD ARG B 57 2.196 -8.809 21.930 1.00 24.76 C ATOM 2390 NE ARG B 57 1.598 -7.536 21.535 1.00 27.10 N ATOM 2391 CZ ARG B 57 1.909 -6.345 22.048 1.00 27.94 C ATOM 2392 NH1 ARG B 57 2.855 -6.220 22.976 1.00 29.70 N ATOM 2393 NH2 ARG B 57 1.276 -5.260 21.611 1.00 27.65 N ATOM 2394 HA ARG B 57 4.906 -10.440 19.205 1.00 0.00 H ATOM 2395 HB2 ARG B 57 3.554 -7.761 19.642 1.00 0.00 H ATOM 2396 HB3 ARG B 57 2.781 -9.339 19.366 1.00 0.00 H ATOM 2397 HG2 ARG B 57 3.847 -10.102 21.535 1.00 0.00 H ATOM 2398 HG3 ARG B 57 4.288 -8.402 21.817 1.00 0.00 H ATOM 2399 HD2 ARG B 57 2.286 -8.821 23.016 1.00 0.00 H ATOM 2400 HD3 ARG B 57 1.531 -9.612 21.613 1.00 0.00 H ATOM 2401 HE ARG B 57 0.870 -7.561 20.793 1.00 0.00 H ATOM 2402 HH12 ARG B 57 3.083 -5.282 23.363 1.00 0.00 H ATOM 2403 HH11 ARG B 57 3.366 -7.060 23.314 1.00 0.00 H ATOM 2404 HH22 ARG B 57 1.511 -4.327 22.005 1.00 0.00 H ATOM 2405 HH21 ARG B 57 0.546 -5.345 20.875 1.00 0.00 H ATOM 2406 H ARG B 57 6.103 -7.888 20.240 1.00 0.00 H ATOM 2407 N GLN B 58 4.710 -9.767 16.799 1.00 22.72 N ATOM 2408 CA GLN B 58 4.721 -9.461 15.374 1.00 23.07 C ATOM 2409 C GLN B 58 3.298 -9.366 14.836 1.00 23.28 C ATOM 2410 O GLN B 58 2.540 -10.348 14.881 1.00 23.31 O ATOM 2411 CB GLN B 58 5.496 -10.524 14.589 1.00 23.58 C ATOM 2412 CG GLN B 58 5.386 -10.371 13.077 1.00 22.28 C ATOM 2413 CD GLN B 58 6.256 -11.346 12.303 1.00 23.97 C ATOM 2414 OE1 GLN B 58 7.452 -11.462 12.554 1.00 24.63 O ATOM 2415 NE2 GLN B 58 5.663 -12.037 11.345 1.00 25.22 N ATOM 2416 HA GLN B 58 5.218 -8.500 15.246 1.00 0.00 H ATOM 2417 HB2 GLN B 58 6.548 -10.458 14.866 1.00 0.00 H ATOM 2418 HB3 GLN B 58 5.110 -11.505 14.865 1.00 0.00 H ATOM 2419 HG2 GLN B 58 4.347 -10.532 12.789 1.00 0.00 H ATOM 2420 HG3 GLN B 58 5.683 -9.357 12.810 1.00 0.00 H ATOM 2421 HE22 GLN B 58 4.647 -11.909 11.164 1.00 0.00 H ATOM 2422 HE21 GLN B 58 6.213 -12.709 10.772 1.00 0.00 H ATOM 2423 H GLN B 58 4.468 -10.734 17.095 1.00 0.00 H ATOM 2424 N TYR B 59 2.964 -8.184 14.329 1.00 23.37 N ATOM 2425 CA TYR B 59 1.703 -7.928 13.627 1.00 23.71 C ATOM 2426 C TYR B 59 2.021 -7.706 12.152 1.00 24.07 C ATOM 2427 O TYR B 59 3.006 -7.044 11.841 1.00 25.70 O ATOM 2428 CB TYR B 59 1.041 -6.665 14.169 1.00 23.00 C ATOM 2429 CG TYR B 59 0.631 -6.729 15.617 1.00 23.79 C ATOM 2430 CD1 TYR B 59 1.546 -6.484 16.637 1.00 22.87 C ATOM 2431 CD2 TYR B 59 -0.682 -7.014 15.969 1.00 24.04 C ATOM 2432 CE1 TYR B 59 1.166 -6.533 17.966 1.00 22.69 C ATOM 2433 CE2 TYR B 59 -1.070 -7.062 17.288 1.00 23.52 C ATOM 2434 CZ TYR B 59 -0.149 -6.822 18.285 1.00 23.22 C ATOM 2435 OH TYR B 59 -0.569 -6.880 19.593 1.00 22.67 O ATOM 2436 HA TYR B 59 1.031 -8.774 13.768 1.00 0.00 H ATOM 2437 HB3 TYR B 59 0.149 -6.469 13.574 1.00 0.00 H ATOM 2438 HB2 TYR B 59 1.743 -5.839 14.053 1.00 0.00 H ATOM 2439 HD2 TYR B 59 -1.417 -7.203 15.187 1.00 0.00 H ATOM 2440 HE2 TYR B 59 -2.105 -7.290 17.544 1.00 0.00 H ATOM 2441 HE1 TYR B 59 1.895 -6.346 18.754 1.00 0.00 H ATOM 2442 HD1 TYR B 59 2.580 -6.249 16.384 1.00 0.00 H ATOM 2443 HH TYR B 59 0.195 -6.688 20.193 1.00 0.00 H ATOM 2444 H TYR B 59 3.635 -7.397 14.436 1.00 0.00 H ATOM 2445 N ASP B 60 1.195 -8.247 11.259 1.00 25.34 N ATOM 2446 CA ASP B 60 1.417 -8.124 9.817 1.00 24.85 C ATOM 2447 C ASP B 60 0.424 -7.147 9.182 1.00 24.53 C ATOM 2448 O ASP B 60 -0.676 -6.930 9.700 1.00 25.04 O ATOM 2449 CB ASP B 60 1.306 -9.491 9.131 1.00 25.77 C ATOM 2450 CG ASP B 60 2.479 -10.414 9.445 1.00 27.06 C ATOM 2451 OD1 ASP B 60 3.547 -9.933 9.882 1.00 31.40 O ATOM 2452 OD2 ASP B 60 2.337 -11.638 9.235 1.00 30.69 O ATOM 2453 HA ASP B 60 2.425 -7.734 9.675 1.00 0.00 H ATOM 2454 HB2 ASP B 60 0.386 -9.973 9.463 1.00 0.00 H ATOM 2455 HB3 ASP B 60 1.265 -9.336 8.053 1.00 0.00 H ATOM 2456 H ASP B 60 0.365 -8.774 11.597 1.00 0.00 H ATOM 2457 N GLN B 61 0.833 -6.564 8.057 1.00 23.75 N ATOM 2458 CA GLN B 61 -0.026 -5.719 7.221 1.00 23.50 C ATOM 2459 C GLN B 61 -0.662 -4.542 7.966 1.00 23.13 C ATOM 2460 O GLN B 61 -1.862 -4.253 7.828 1.00 22.25 O ATOM 2461 CB GLN B 61 -1.085 -6.568 6.505 1.00 23.81 C ATOM 2462 CG GLN B 61 -0.497 -7.462 5.419 1.00 24.41 C ATOM 2463 CD GLN B 61 0.024 -6.668 4.233 1.00 25.45 C ATOM 2464 OE1 GLN B 61 1.223 -6.403 4.127 1.00 27.34 O ATOM 2465 NE2 GLN B 61 -0.879 -6.276 3.340 1.00 27.11 N ATOM 2466 HA GLN B 61 0.629 -5.264 6.478 1.00 0.00 H ATOM 2467 HB2 GLN B 61 -1.582 -7.198 7.242 1.00 0.00 H ATOM 2468 HB3 GLN B 61 -1.815 -5.900 6.048 1.00 0.00 H ATOM 2469 HG2 GLN B 61 0.326 -8.036 5.845 1.00 0.00 H ATOM 2470 HG3 GLN B 61 -1.272 -8.145 5.070 1.00 0.00 H ATOM 2471 HE22 GLN B 61 -1.881 -6.523 3.471 1.00 0.00 H ATOM 2472 HE21 GLN B 61 -0.584 -5.722 2.511 1.00 0.00 H ATOM 2473 H GLN B 61 1.816 -6.716 7.754 1.00 0.00 H ATOM 2474 N ILE B 62 0.177 -3.854 8.734 1.00 22.44 N ATOM 2475 CA ILE B 62 -0.221 -2.688 9.513 1.00 22.45 C ATOM 2476 C ILE B 62 0.151 -1.440 8.720 1.00 22.63 C ATOM 2477 O ILE B 62 1.327 -1.259 8.409 1.00 21.25 O ATOM 2478 CB ILE B 62 0.529 -2.665 10.860 1.00 22.36 C ATOM 2479 CG1 ILE B 62 0.180 -3.901 11.698 1.00 23.43 C ATOM 2480 CG2 ILE B 62 0.268 -1.364 11.618 1.00 22.51 C ATOM 2481 CD1 ILE B 62 -1.254 -3.987 12.190 1.00 23.06 C ATOM 2482 HA ILE B 62 -1.293 -2.724 9.706 1.00 0.00 H ATOM 2483 HB ILE B 62 1.599 -2.702 10.656 1.00 0.00 H ATOM 2484 HG12 ILE B 62 0.378 -4.784 11.090 1.00 0.00 H ATOM 2485 HG13 ILE B 62 0.833 -3.908 12.570 1.00 0.00 H ATOM 2486 HD11 ILE B 62 -1.474 -3.123 12.817 1.00 0.00 H ATOM 2487 HD12 ILE B 62 -1.930 -3.999 11.335 1.00 0.00 H ATOM 2488 HD13 ILE B 62 -1.384 -4.901 12.770 1.00 0.00 H ATOM 2489 HG21 ILE B 62 0.607 -0.520 11.017 1.00 0.00 H ATOM 2490 HG22 ILE B 62 -0.800 -1.267 11.813 1.00 0.00 H ATOM 2491 HG23 ILE B 62 0.811 -1.380 12.563 1.00 0.00 H ATOM 2492 H ILE B 62 1.169 -4.164 8.782 1.00 0.00 H ATOM 2493 N PRO B 63 -0.830 -0.581 8.385 1.00 22.83 N ATOM 2494 CA PRO B 63 -0.462 0.659 7.702 1.00 23.59 C ATOM 2495 C PRO B 63 0.164 1.686 8.638 1.00 24.15 C ATOM 2496 O PRO B 63 -0.253 1.834 9.788 1.00 23.52 O ATOM 2497 CB PRO B 63 -1.783 1.183 7.126 1.00 23.99 C ATOM 2498 CG PRO B 63 -2.844 0.281 7.593 1.00 22.92 C ATOM 2499 CD PRO B 63 -2.284 -0.685 8.591 1.00 23.19 C ATOM 2500 HA PRO B 63 0.296 0.478 6.940 1.00 0.00 H ATOM 2501 HD3 PRO B 63 -2.556 -0.399 9.607 1.00 0.00 H ATOM 2502 HD2 PRO B 63 -2.635 -1.698 8.394 1.00 0.00 H ATOM 2503 HG3 PRO B 63 -3.251 -0.269 6.745 1.00 0.00 H ATOM 2504 HG2 PRO B 63 -3.637 0.865 8.060 1.00 0.00 H ATOM 2505 HB2 PRO B 63 -1.970 2.197 7.481 1.00 0.00 H ATOM 2506 HB3 PRO B 63 -1.743 1.182 6.037 1.00 0.00 H ATOM 2507 N ILE B 64 1.180 2.377 8.130 1.00 25.36 N ATOM 2508 CA ILE B 64 1.870 3.427 8.868 1.00 25.54 C ATOM 2509 C ILE B 64 2.184 4.554 7.886 1.00 25.80 C ATOM 2510 O ILE B 64 2.620 4.304 6.758 1.00 26.86 O ATOM 2511 CB ILE B 64 3.185 2.916 9.518 1.00 25.87 C ATOM 2512 CG1 ILE B 64 2.912 1.718 10.420 1.00 27.80 C ATOM 2513 CG2 ILE B 64 3.853 4.027 10.315 1.00 26.03 C ATOM 2514 HA ILE B 64 1.228 3.773 9.679 1.00 0.00 H ATOM 2515 HB ILE B 64 3.857 2.603 8.719 1.00 0.00 H ATOM 2516 HG12 ILE B 64 2.219 2.009 11.209 1.00 0.00 H ATOM 2517 HG13 ILE B 64 2.475 0.913 9.830 1.00 0.00 H ATOM 2518 HG21 ILE B 64 4.086 4.859 9.651 1.00 0.00 H ATOM 2519 HG22 ILE B 64 3.177 4.366 11.101 1.00 0.00 H ATOM 2520 HG23 ILE B 64 4.772 3.649 10.762 1.00 0.00 H ATOM 2521 H ILE B 64 1.496 2.159 7.164 1.00 0.00 H ATOM 2522 N GLU B 65 1.938 5.790 8.302 1.00 25.56 N ATOM 2523 CA GLU B 65 2.320 6.947 7.497 1.00 25.50 C ATOM 2524 C GLU B 65 3.616 7.496 8.077 1.00 25.00 C ATOM 2525 O GLU B 65 3.689 7.778 9.268 1.00 23.96 O ATOM 2526 CB GLU B 65 1.242 8.035 7.506 1.00 25.21 C ATOM 2527 CG GLU B 65 1.542 9.179 6.542 1.00 26.52 C ATOM 2528 CD GLU B 65 0.455 10.239 6.506 1.00 27.04 C ATOM 2529 OE1 GLU B 65 -0.302 10.375 7.492 1.00 32.44 O ATOM 2530 OE2 GLU B 65 0.350 10.941 5.479 1.00 31.67 O ATOM 2531 HA GLU B 65 2.446 6.639 6.459 1.00 0.00 H ATOM 2532 HB2 GLU B 65 0.290 7.584 7.225 1.00 0.00 H ATOM 2533 HB3 GLU B 65 1.166 8.441 8.515 1.00 0.00 H ATOM 2534 HG2 GLU B 65 2.476 9.652 6.846 1.00 0.00 H ATOM 2535 HG3 GLU B 65 1.655 8.766 5.540 1.00 0.00 H ATOM 2536 H GLU B 65 1.465 5.937 9.217 1.00 0.00 H ATOM 2537 N ILE B 66 4.627 7.642 7.227 1.00 25.45 N ATOM 2538 CA ILE B 66 5.961 8.058 7.657 1.00 25.69 C ATOM 2539 C ILE B 66 6.313 9.332 6.889 1.00 25.97 C ATOM 2540 O ILE B 66 6.503 9.276 5.678 1.00 25.63 O ATOM 2541 CB ILE B 66 7.016 6.976 7.327 1.00 25.36 C ATOM 2542 CG1 ILE B 66 6.654 5.620 7.949 1.00 24.77 C ATOM 2543 CG2 ILE B 66 8.405 7.424 7.780 1.00 25.60 C ATOM 2544 CD1 ILE B 66 7.290 4.448 7.224 1.00 25.15 C ATOM 2545 HA ILE B 66 5.961 8.219 8.735 1.00 0.00 H ATOM 2546 HB ILE B 66 7.027 6.847 6.245 1.00 0.00 H ATOM 2547 HG12 ILE B 66 6.990 5.612 8.986 1.00 0.00 H ATOM 2548 HG13 ILE B 66 5.571 5.501 7.919 1.00 0.00 H ATOM 2549 HD11 ILE B 66 6.954 4.438 6.187 1.00 0.00 H ATOM 2550 HD12 ILE B 66 8.375 4.549 7.255 1.00 0.00 H ATOM 2551 HD13 ILE B 66 6.996 3.518 7.711 1.00 0.00 H ATOM 2552 HG21 ILE B 66 8.673 8.348 7.267 1.00 0.00 H ATOM 2553 HG22 ILE B 66 8.397 7.594 8.857 1.00 0.00 H ATOM 2554 HG23 ILE B 66 9.132 6.649 7.539 1.00 0.00 H ATOM 2555 H ILE B 66 4.463 7.453 6.218 1.00 0.00 H ATOM 2556 N CYS B 67 6.408 10.468 7.577 1.00 26.34 N ATOM 2557 CA CYS B 67 6.677 11.761 6.932 1.00 26.56 C ATOM 2558 C CYS B 67 5.772 12.052 5.748 1.00 26.57 C ATOM 2559 O CYS B 67 6.205 12.619 4.745 1.00 27.02 O ATOM 2560 CB CYS B 67 8.116 11.840 6.438 1.00 26.68 C ATOM 2561 SG CYS B 67 9.268 11.700 7.762 1.00 28.48 S ATOM 2562 HA CYS B 67 6.484 12.503 7.707 1.00 0.00 H ATOM 2563 HB2 CYS B 67 8.266 12.797 5.938 1.00 0.00 H ATOM 2564 HB3 CYS B 67 8.292 11.030 5.730 1.00 0.00 H ATOM 2565 HG CYS B 67 10.552 11.777 7.262 1.00 0.00 H ATOM 2566 H CYS B 67 6.287 10.439 8.610 1.00 0.00 H ATOM 2567 N GLY B 68 4.514 11.656 5.864 1.00 26.46 N ATOM 2568 CA GLY B 68 3.569 11.842 4.770 1.00 26.07 C ATOM 2569 C GLY B 68 3.622 10.808 3.656 1.00 25.80 C ATOM 2570 O GLY B 68 2.936 10.971 2.647 1.00 26.05 O ATOM 2571 HA3 GLY B 68 3.760 12.819 4.327 1.00 0.00 H ATOM 2572 HA2 GLY B 68 2.564 11.826 5.192 1.00 0.00 H ATOM 2573 H GLY B 68 4.196 11.207 6.746 1.00 0.00 H ATOM 2574 N HIS B 69 4.428 9.760 3.816 1.00 24.71 N ATOM 2575 CA HIS B 69 4.481 8.659 2.855 1.00 24.87 C ATOM 2576 C HIS B 69 3.780 7.439 3.423 1.00 24.62 C ATOM 2577 O HIS B 69 3.949 7.123 4.594 1.00 24.47 O ATOM 2578 CB HIS B 69 5.927 8.281 2.536 1.00 24.67 C ATOM 2579 CG HIS B 69 6.674 9.350 1.807 1.00 23.99 C ATOM 2580 ND1 HIS B 69 7.062 9.227 0.490 1.00 22.76 N ATOM 2581 CD2 HIS B 69 7.085 10.576 2.208 1.00 23.95 C ATOM 2582 CE1 HIS B 69 7.689 10.327 0.116 1.00 24.27 C ATOM 2583 NE2 HIS B 69 7.722 11.159 1.141 1.00 23.68 N ATOM 2584 HA HIS B 69 3.984 8.990 1.943 1.00 0.00 H ATOM 2585 HB2 HIS B 69 6.445 8.075 3.473 1.00 0.00 H ATOM 2586 HB3 HIS B 69 5.921 7.382 1.920 1.00 0.00 H ATOM 2587 HD2 HIS B 69 6.938 11.017 3.194 1.00 0.00 H ATOM 2588 HE1 HIS B 69 8.109 10.516 -0.872 1.00 0.00 H ATOM 2589 H HIS B 69 5.042 9.723 4.655 1.00 0.00 H ATOM 2590 N LYS B 70 3.012 6.757 2.580 1.00 24.94 N ATOM 2591 CA LYS B 70 2.224 5.605 3.003 1.00 24.87 C ATOM 2592 C LYS B 70 3.099 4.363 3.011 1.00 25.09 C ATOM 2593 O LYS B 70 3.791 4.084 2.030 1.00 25.09 O ATOM 2594 CB LYS B 70 1.038 5.406 2.062 1.00 25.48 C ATOM 2595 HA LYS B 70 1.845 5.781 4.010 1.00 0.00 H ATOM 2596 HB2 LYS B 70 0.409 6.296 2.079 1.00 0.00 H ATOM 2597 HB3 LYS B 70 1.404 5.237 1.049 1.00 0.00 H ATOM 2598 H LYS B 70 2.971 7.055 1.584 1.00 0.00 H ATOM 2599 N ALA B 71 3.075 3.626 4.120 1.00 24.92 N ATOM 2600 CA ALA B 71 3.714 2.317 4.187 1.00 24.08 C ATOM 2601 C ALA B 71 2.703 1.330 4.756 1.00 23.82 C ATOM 2602 O ALA B 71 1.732 1.723 5.408 1.00 24.39 O ATOM 2603 CB ALA B 71 4.969 2.362 5.052 1.00 24.41 C ATOM 2604 HA ALA B 71 4.025 2.006 3.190 1.00 0.00 H ATOM 2605 HB1 ALA B 71 5.676 3.074 4.627 1.00 0.00 H ATOM 2606 HB2 ALA B 71 4.702 2.672 6.062 1.00 0.00 H ATOM 2607 HB3 ALA B 71 5.423 1.372 5.083 1.00 0.00 H ATOM 2608 H ALA B 71 2.587 3.994 4.961 1.00 0.00 H ATOM 2609 N ILE B 72 2.934 0.050 4.501 1.00 22.66 N ATOM 2610 CA ILE B 72 2.120 -1.002 5.101 1.00 22.12 C ATOM 2611 C ILE B 72 2.975 -2.254 5.193 1.00 21.39 C ATOM 2612 O ILE B 72 3.534 -2.714 4.199 1.00 20.69 O ATOM 2613 CB ILE B 72 0.813 -1.264 4.308 1.00 21.81 C ATOM 2614 CG1 ILE B 72 0.027 -2.431 4.914 1.00 21.26 C ATOM 2615 CG2 ILE B 72 1.106 -1.525 2.839 1.00 21.80 C ATOM 2616 CD1 ILE B 72 -1.344 -2.602 4.324 1.00 23.27 C ATOM 2617 HA ILE B 72 1.799 -0.688 6.094 1.00 0.00 H ATOM 2618 HB ILE B 72 0.199 -0.366 4.378 1.00 0.00 H ATOM 2619 HG12 ILE B 72 0.591 -3.349 4.749 1.00 0.00 H ATOM 2620 HG13 ILE B 72 -0.077 -2.258 5.985 1.00 0.00 H ATOM 2621 HD11 ILE B 72 -1.925 -1.695 4.490 1.00 0.00 H ATOM 2622 HD12 ILE B 72 -1.257 -2.788 3.254 1.00 0.00 H ATOM 2623 HD13 ILE B 72 -1.841 -3.447 4.801 1.00 0.00 H ATOM 2624 HG21 ILE B 72 1.606 -0.657 2.410 1.00 0.00 H ATOM 2625 HG22 ILE B 72 1.750 -2.399 2.748 1.00 0.00 H ATOM 2626 HG23 ILE B 72 0.170 -1.705 2.310 1.00 0.00 H ATOM 2627 H ILE B 72 3.711 -0.210 3.860 1.00 0.00 H ATOM 2628 N GLY B 73 3.091 -2.796 6.396 1.00 21.18 N ATOM 2629 CA GLY B 73 3.894 -3.986 6.562 1.00 21.28 C ATOM 2630 C GLY B 73 3.910 -4.548 7.963 1.00 21.09 C ATOM 2631 O GLY B 73 3.024 -4.301 8.779 1.00 21.03 O ATOM 2632 HA3 GLY B 73 4.919 -3.746 6.281 1.00 0.00 H ATOM 2633 HA2 GLY B 73 3.506 -4.754 5.893 1.00 0.00 H ATOM 2634 H GLY B 73 2.609 -2.369 7.213 1.00 0.00 H ATOM 2635 N THR B 74 4.949 -5.326 8.224 1.00 20.30 N ATOM 2636 CA THR B 74 5.076 -6.024 9.485 1.00 20.19 C ATOM 2637 C THR B 74 5.587 -5.022 10.507 1.00 20.10 C ATOM 2638 O THR B 74 6.540 -4.284 10.248 1.00 20.31 O ATOM 2639 CB THR B 74 6.056 -7.204 9.349 1.00 20.18 C ATOM 2640 OG1 THR B 74 5.507 -8.144 8.414 1.00 21.89 O ATOM 2641 CG2 THR B 74 6.276 -7.878 10.692 1.00 20.62 C ATOM 2642 HA THR B 74 4.115 -6.432 9.797 1.00 0.00 H ATOM 2643 HB THR B 74 7.020 -6.837 8.995 1.00 0.00 H ATOM 2644 HG1 THR B 74 4.632 -8.466 8.747 1.00 0.00 H ATOM 2645 HG23 THR B 74 6.693 -7.157 11.395 1.00 0.00 H ATOM 2646 HG21 THR B 74 5.324 -8.249 11.071 1.00 0.00 H ATOM 2647 HG22 THR B 74 6.969 -8.711 10.570 1.00 0.00 H ATOM 2648 H THR B 74 5.692 -5.438 7.505 1.00 0.00 H ATOM 2649 N VAL B 75 4.941 -5.002 11.666 1.00 19.93 N ATOM 2650 CA VAL B 75 5.333 -4.118 12.749 1.00 19.60 C ATOM 2651 C VAL B 75 5.496 -4.976 13.988 1.00 19.91 C ATOM 2652 O VAL B 75 4.633 -5.799 14.298 1.00 20.21 O ATOM 2653 CB VAL B 75 4.285 -3.018 12.970 1.00 20.51 C ATOM 2654 CG1 VAL B 75 4.591 -2.235 14.238 1.00 21.68 C ATOM 2655 CG2 VAL B 75 4.258 -2.110 11.761 1.00 21.19 C ATOM 2656 HA VAL B 75 6.268 -3.611 12.511 1.00 0.00 H ATOM 2657 HB VAL B 75 3.301 -3.471 13.095 1.00 0.00 H ATOM 2658 HG11 VAL B 75 4.580 -2.911 15.093 1.00 0.00 H ATOM 2659 HG12 VAL B 75 5.575 -1.774 14.150 1.00 0.00 H ATOM 2660 HG13 VAL B 75 3.837 -1.460 14.376 1.00 0.00 H ATOM 2661 HG21 VAL B 75 5.241 -1.659 11.625 1.00 0.00 H ATOM 2662 HG22 VAL B 75 3.999 -2.692 10.877 1.00 0.00 H ATOM 2663 HG23 VAL B 75 3.515 -1.327 11.913 1.00 0.00 H ATOM 2664 H VAL B 75 4.130 -5.638 11.803 1.00 0.00 H ATOM 2665 N LEU B 76 6.625 -4.803 14.665 1.00 18.66 N ATOM 2666 CA LEU B 76 6.891 -5.509 15.901 1.00 18.91 C ATOM 2667 C LEU B 76 6.616 -4.564 17.052 1.00 18.76 C ATOM 2668 O LEU B 76 6.898 -3.369 16.951 1.00 19.91 O ATOM 2669 CB LEU B 76 8.346 -5.965 15.935 1.00 18.51 C ATOM 2670 CG LEU B 76 8.800 -6.715 14.678 1.00 17.74 C ATOM 2671 CD1 LEU B 76 10.224 -7.193 14.886 1.00 16.99 C ATOM 2672 CD2 LEU B 76 7.872 -7.890 14.364 1.00 17.67 C ATOM 2673 HA LEU B 76 6.253 -6.389 15.978 1.00 0.00 H ATOM 2674 HB2 LEU B 76 8.977 -5.085 16.055 1.00 0.00 H ATOM 2675 HB3 LEU B 76 8.478 -6.624 16.793 1.00 0.00 H ATOM 2676 HG LEU B 76 8.759 -6.040 13.823 1.00 0.00 H ATOM 2677 HD21 LEU B 76 7.873 -8.586 15.203 1.00 0.00 H ATOM 2678 HD22 LEU B 76 6.860 -7.519 14.200 1.00 0.00 H ATOM 2679 HD23 LEU B 76 8.224 -8.399 13.467 1.00 0.00 H ATOM 2680 HD11 LEU B 76 10.872 -6.334 15.060 1.00 0.00 H ATOM 2681 HD12 LEU B 76 10.260 -7.858 15.749 1.00 0.00 H ATOM 2682 HD13 LEU B 76 10.559 -7.729 13.998 1.00 0.00 H ATOM 2683 H LEU B 76 7.338 -4.142 14.297 1.00 0.00 H ATOM 2684 N VAL B 77 6.074 -5.102 18.138 1.00 19.18 N ATOM 2685 CA VAL B 77 5.754 -4.298 19.306 1.00 19.40 C ATOM 2686 C VAL B 77 6.435 -4.918 20.517 1.00 19.38 C ATOM 2687 O VAL B 77 6.318 -6.117 20.763 1.00 19.73 O ATOM 2688 CB VAL B 77 4.235 -4.202 19.544 1.00 19.24 C ATOM 2689 CG1 VAL B 77 3.945 -3.354 20.775 1.00 20.69 C ATOM 2690 CG2 VAL B 77 3.541 -3.601 18.321 1.00 19.91 C ATOM 2691 HA VAL B 77 6.114 -3.283 19.140 1.00 0.00 H ATOM 2692 HB VAL B 77 3.848 -5.207 19.709 1.00 0.00 H ATOM 2693 HG11 VAL B 77 4.414 -3.809 21.647 1.00 0.00 H ATOM 2694 HG12 VAL B 77 4.346 -2.352 20.627 1.00 0.00 H ATOM 2695 HG13 VAL B 77 2.868 -3.296 20.929 1.00 0.00 H ATOM 2696 HG21 VAL B 77 3.936 -2.602 18.135 1.00 0.00 H ATOM 2697 HG22 VAL B 77 3.726 -4.233 17.453 1.00 0.00 H ATOM 2698 HG23 VAL B 77 2.469 -3.541 18.507 1.00 0.00 H ATOM 2699 H VAL B 77 5.874 -6.122 18.153 1.00 0.00 H ATOM 2700 N GLY B 78 7.167 -4.111 21.274 1.00 19.45 N ATOM 2701 CA GLY B 78 7.888 -4.681 22.404 1.00 20.03 C ATOM 2702 C GLY B 78 8.692 -3.663 23.182 1.00 20.26 C ATOM 2703 O GLY B 78 8.551 -2.460 22.956 1.00 20.92 O ATOM 2704 HA3 GLY B 78 8.569 -5.445 22.029 1.00 0.00 H ATOM 2705 HA2 GLY B 78 7.165 -5.139 23.079 1.00 0.00 H ATOM 2706 H GLY B 78 7.225 -3.094 21.065 1.00 0.00 H ATOM 2707 N PRO B 79 9.528 -4.153 24.109 1.00 20.70 N ATOM 2708 CA PRO B 79 10.406 -3.308 24.913 1.00 20.61 C ATOM 2709 C PRO B 79 11.479 -2.637 24.070 1.00 20.91 C ATOM 2710 O PRO B 79 12.492 -3.242 23.709 1.00 21.73 O ATOM 2711 CB PRO B 79 11.020 -4.280 25.932 1.00 20.42 C ATOM 2712 CG PRO B 79 10.220 -5.532 25.838 1.00 21.14 C ATOM 2713 CD PRO B 79 9.660 -5.578 24.461 1.00 20.66 C ATOM 2714 HA PRO B 79 9.868 -2.486 25.385 1.00 0.00 H ATOM 2715 HD3 PRO B 79 10.339 -6.089 23.778 1.00 0.00 H ATOM 2716 HD2 PRO B 79 8.691 -6.076 24.448 1.00 0.00 H ATOM 2717 HG3 PRO B 79 9.414 -5.519 26.572 1.00 0.00 H ATOM 2718 HG2 PRO B 79 10.856 -6.399 26.014 1.00 0.00 H ATOM 2719 HB2 PRO B 79 12.063 -4.478 25.686 1.00 0.00 H ATOM 2720 HB3 PRO B 79 10.957 -3.865 26.938 1.00 0.00 H ATOM 2721 N THR B 80 11.231 -1.378 23.738 1.00 20.64 N ATOM 2722 CA THR B 80 12.224 -0.585 23.040 1.00 20.69 C ATOM 2723 C THR B 80 12.267 0.808 23.649 1.00 20.73 C ATOM 2724 O THR B 80 11.229 1.345 24.009 1.00 20.95 O ATOM 2725 CB THR B 80 11.916 -0.497 21.532 1.00 20.48 C ATOM 2726 OG1 THR B 80 12.875 0.372 20.917 1.00 20.08 O ATOM 2727 CG2 THR B 80 10.496 0.001 21.260 1.00 20.48 C ATOM 2728 HA THR B 80 13.195 -1.068 23.149 1.00 0.00 H ATOM 2729 HB THR B 80 11.984 -1.499 21.107 1.00 0.00 H ATOM 2730 HG1 THR B 80 12.686 0.436 19.947 1.00 0.00 H ATOM 2731 HG23 THR B 80 9.780 -0.670 21.734 1.00 0.00 H ATOM 2732 HG21 THR B 80 10.380 1.005 21.668 1.00 0.00 H ATOM 2733 HG22 THR B 80 10.319 0.022 20.185 1.00 0.00 H ATOM 2734 H THR B 80 10.313 -0.954 23.981 1.00 0.00 H ATOM 2735 N PRO B 81 13.465 1.403 23.760 1.00 21.24 N ATOM 2736 CA PRO B 81 13.555 2.785 24.220 1.00 21.13 C ATOM 2737 C PRO B 81 13.137 3.832 23.184 1.00 20.96 C ATOM 2738 O PRO B 81 13.196 5.026 23.480 1.00 20.73 O ATOM 2739 CB PRO B 81 15.037 2.930 24.565 1.00 21.46 C ATOM 2740 CG PRO B 81 15.709 2.007 23.618 1.00 21.99 C ATOM 2741 CD PRO B 81 14.795 0.829 23.487 1.00 21.82 C ATOM 2742 HA PRO B 81 12.869 2.967 25.048 1.00 0.00 H ATOM 2743 HD3 PRO B 81 14.841 0.408 22.483 1.00 0.00 H ATOM 2744 HD2 PRO B 81 15.045 0.057 24.215 1.00 0.00 H ATOM 2745 HG3 PRO B 81 16.677 1.696 24.011 1.00 0.00 H ATOM 2746 HG2 PRO B 81 15.849 2.490 22.651 1.00 0.00 H ATOM 2747 HB2 PRO B 81 15.373 3.956 24.414 1.00 0.00 H ATOM 2748 HB3 PRO B 81 15.227 2.635 25.597 1.00 0.00 H ATOM 2749 N ALA B 82 12.723 3.413 21.990 1.00 21.26 N ATOM 2750 CA ALA B 82 12.242 4.348 20.974 1.00 21.15 C ATOM 2751 C ALA B 82 11.474 3.616 19.879 1.00 20.80 C ATOM 2752 O ALA B 82 11.717 2.436 19.641 1.00 21.58 O ATOM 2753 CB ALA B 82 13.411 5.109 20.363 1.00 21.80 C ATOM 2754 HA ALA B 82 11.567 5.054 21.458 1.00 0.00 H ATOM 2755 HB1 ALA B 82 13.929 5.666 21.144 1.00 0.00 H ATOM 2756 HB2 ALA B 82 14.101 4.403 19.901 1.00 0.00 H ATOM 2757 HB3 ALA B 82 13.038 5.801 19.608 1.00 0.00 H ATOM 2758 H ALA B 82 12.742 2.396 21.775 1.00 0.00 H ATOM 2759 N ASN B 83 10.548 4.302 19.215 1.00 20.51 N ATOM 2760 CA ASN B 83 9.948 3.740 18.008 1.00 20.36 C ATOM 2761 C ASN B 83 10.993 3.741 16.906 1.00 19.85 C ATOM 2762 O ASN B 83 11.681 4.734 16.700 1.00 18.35 O ATOM 2763 CB ASN B 83 8.740 4.548 17.542 1.00 20.62 C ATOM 2764 CG ASN B 83 7.588 4.495 18.523 1.00 21.47 C ATOM 2765 OD1 ASN B 83 7.134 3.412 18.894 1.00 22.83 O ATOM 2766 ND2 ASN B 83 7.113 5.662 18.949 1.00 21.91 N ATOM 2767 HA ASN B 83 9.608 2.729 18.234 1.00 0.00 H ATOM 2768 HB2 ASN B 83 9.043 5.587 17.415 1.00 0.00 H ATOM 2769 HB3 ASN B 83 8.402 4.150 16.585 1.00 0.00 H ATOM 2770 HD22 ASN B 83 7.531 6.550 18.606 1.00 0.00 H ATOM 2771 HD21 ASN B 83 6.324 5.686 19.626 1.00 0.00 H ATOM 2772 H ASN B 83 10.251 5.239 19.555 1.00 0.00 H ATOM 2773 N ILE B 84 11.107 2.621 16.203 1.00 19.87 N ATOM 2774 CA ILE B 84 12.136 2.431 15.199 1.00 19.98 C ATOM 2775 C ILE B 84 11.502 2.001 13.897 1.00 19.71 C ATOM 2776 O ILE B 84 10.822 0.978 13.861 1.00 20.25 O ATOM 2777 CB ILE B 84 13.124 1.327 15.648 1.00 19.52 C ATOM 2778 CG1 ILE B 84 13.903 1.793 16.879 1.00 20.57 C ATOM 2779 CG2 ILE B 84 14.051 0.920 14.511 1.00 20.85 C ATOM 2780 CD1 ILE B 84 14.544 0.677 17.650 1.00 21.08 C ATOM 2781 HA ILE B 84 12.669 3.373 15.068 1.00 0.00 H ATOM 2782 HB ILE B 84 12.556 0.438 15.923 1.00 0.00 H ATOM 2783 HG12 ILE B 84 14.685 2.478 16.552 1.00 0.00 H ATOM 2784 HG13 ILE B 84 13.216 2.318 17.542 1.00 0.00 H ATOM 2785 HD11 ILE B 84 13.774 -0.013 17.996 1.00 0.00 H ATOM 2786 HD12 ILE B 84 15.245 0.147 17.005 1.00 0.00 H ATOM 2787 HD13 ILE B 84 15.077 1.089 18.507 1.00 0.00 H ATOM 2788 HG21 ILE B 84 13.458 0.539 13.679 1.00 0.00 H ATOM 2789 HG22 ILE B 84 14.624 1.787 14.183 1.00 0.00 H ATOM 2790 HG23 ILE B 84 14.732 0.143 14.859 1.00 0.00 H ATOM 2791 H ILE B 84 10.432 1.850 16.379 1.00 0.00 H ATOM 2792 N ILE B 85 11.728 2.775 12.838 1.00 19.64 N ATOM 2793 CA ILE B 85 11.300 2.382 11.505 1.00 19.77 C ATOM 2794 C ILE B 85 12.487 1.700 10.838 1.00 19.52 C ATOM 2795 O ILE B 85 13.523 2.326 10.617 1.00 20.36 O ATOM 2796 CB ILE B 85 10.864 3.576 10.644 1.00 19.97 C ATOM 2797 CG1 ILE B 85 9.799 4.423 11.357 1.00 19.68 C ATOM 2798 CG2 ILE B 85 10.395 3.108 9.263 1.00 20.56 C ATOM 2799 CD1 ILE B 85 8.573 3.670 11.788 1.00 19.11 C ATOM 2800 HA ILE B 85 10.435 1.725 11.595 1.00 0.00 H ATOM 2801 HB ILE B 85 11.730 4.220 10.495 1.00 0.00 H ATOM 2802 HG12 ILE B 85 10.255 4.863 12.244 1.00 0.00 H ATOM 2803 HG13 ILE B 85 9.487 5.217 10.678 1.00 0.00 H ATOM 2804 HD11 ILE B 85 8.091 3.232 10.914 1.00 0.00 H ATOM 2805 HD12 ILE B 85 8.859 2.879 12.481 1.00 0.00 H ATOM 2806 HD13 ILE B 85 7.882 4.354 12.281 1.00 0.00 H ATOM 2807 HG21 ILE B 85 11.212 2.590 8.760 1.00 0.00 H ATOM 2808 HG22 ILE B 85 9.550 2.430 9.378 1.00 0.00 H ATOM 2809 HG23 ILE B 85 10.091 3.972 8.672 1.00 0.00 H ATOM 2810 H ILE B 85 12.222 3.681 12.967 1.00 0.00 H ATOM 2811 N GLY B 86 12.318 0.425 10.508 1.00 20.06 N ATOM 2812 CA GLY B 86 13.388 -0.377 9.922 1.00 20.17 C ATOM 2813 C GLY B 86 13.282 -0.513 8.415 1.00 20.55 C ATOM 2814 O GLY B 86 12.384 0.040 7.768 1.00 21.12 O ATOM 2815 HA3 GLY B 86 13.354 -1.373 10.362 1.00 0.00 H ATOM 2816 HA2 GLY B 86 14.342 0.092 10.161 1.00 0.00 H ATOM 2817 H GLY B 86 11.391 -0.018 10.673 1.00 0.00 H ATOM 2818 N ARG B 87 14.201 -1.284 7.849 1.00 20.80 N ATOM 2819 CA ARG B 87 14.342 -1.357 6.395 1.00 21.15 C ATOM 2820 C ARG B 87 13.119 -1.920 5.685 1.00 21.21 C ATOM 2821 O ARG B 87 12.881 -1.604 4.517 1.00 21.56 O ATOM 2822 CB ARG B 87 15.578 -2.176 6.010 1.00 21.21 C ATOM 2823 CG ARG B 87 16.893 -1.495 6.359 1.00 22.24 C ATOM 2824 CD ARG B 87 18.080 -2.297 5.852 1.00 22.08 C ATOM 2825 NE ARG B 87 18.116 -3.642 6.425 1.00 21.68 N ATOM 2826 CZ ARG B 87 17.729 -4.766 5.815 1.00 23.41 C ATOM 2827 NH1 ARG B 87 17.261 -4.784 4.568 1.00 23.24 N ATOM 2828 NH2 ARG B 87 17.823 -5.914 6.472 1.00 22.10 N ATOM 2829 HA ARG B 87 14.454 -0.325 6.061 1.00 0.00 H ATOM 2830 HB2 ARG B 87 15.535 -3.132 6.533 1.00 0.00 H ATOM 2831 HB3 ARG B 87 15.555 -2.350 4.934 1.00 0.00 H ATOM 2832 HG2 ARG B 87 16.912 -0.505 5.904 1.00 0.00 H ATOM 2833 HG3 ARG B 87 16.966 -1.397 7.442 1.00 0.00 H ATOM 2834 HD2 ARG B 87 18.998 -1.775 6.120 1.00 0.00 H ATOM 2835 HD3 ARG B 87 18.013 -2.378 4.767 1.00 0.00 H ATOM 2836 HE ARG B 87 18.476 -3.732 7.397 1.00 0.00 H ATOM 2837 HH12 ARG B 87 16.972 -5.684 4.134 1.00 0.00 H ATOM 2838 HH11 ARG B 87 17.185 -3.898 4.028 1.00 0.00 H ATOM 2839 HH22 ARG B 87 17.527 -6.800 6.015 1.00 0.00 H ATOM 2840 HH21 ARG B 87 18.193 -5.928 7.444 1.00 0.00 H ATOM 2841 H ARG B 87 14.834 -1.848 8.451 1.00 0.00 H ATOM 2842 N ASN B 88 12.354 -2.768 6.369 1.00 21.00 N ATOM 2843 CA ASN B 88 11.147 -3.322 5.749 1.00 21.23 C ATOM 2844 C ASN B 88 10.191 -2.235 5.259 1.00 21.56 C ATOM 2845 O ASN B 88 9.536 -2.421 4.234 1.00 22.44 O ATOM 2846 CB ASN B 88 10.435 -4.316 6.676 1.00 20.52 C ATOM 2847 CG ASN B 88 9.771 -3.658 7.864 1.00 20.50 C ATOM 2848 OD1 ASN B 88 10.418 -2.927 8.620 1.00 21.52 O ATOM 2849 ND2 ASN B 88 8.466 -3.924 8.041 1.00 20.06 N ATOM 2850 HA ASN B 88 11.479 -3.872 4.868 1.00 0.00 H ATOM 2851 HB2 ASN B 88 9.673 -4.841 6.100 1.00 0.00 H ATOM 2852 HB3 ASN B 88 11.169 -5.033 7.043 1.00 0.00 H ATOM 2853 HD22 ASN B 88 7.967 -4.547 7.374 1.00 0.00 H ATOM 2854 HD21 ASN B 88 7.955 -3.507 8.845 1.00 0.00 H ATOM 2855 H ASN B 88 12.612 -3.036 7.340 1.00 0.00 H ATOM 2856 N LEU B 89 10.125 -1.114 5.983 1.00 21.68 N ATOM 2857 CA LEU B 89 9.274 0.012 5.585 1.00 21.58 C ATOM 2858 C LEU B 89 10.062 1.141 4.913 1.00 21.90 C ATOM 2859 O LEU B 89 9.518 1.849 4.080 1.00 22.17 O ATOM 2860 CB LEU B 89 8.510 0.559 6.792 1.00 21.33 C ATOM 2861 CG LEU B 89 7.632 -0.439 7.549 1.00 22.01 C ATOM 2862 CD1 LEU B 89 6.857 0.287 8.643 1.00 20.53 C ATOM 2863 CD2 LEU B 89 6.672 -1.197 6.630 1.00 24.09 C ATOM 2864 HA LEU B 89 8.569 -0.375 4.849 1.00 0.00 H ATOM 2865 HB2 LEU B 89 9.241 0.958 7.495 1.00 0.00 H ATOM 2866 HB3 LEU B 89 7.868 1.366 6.440 1.00 0.00 H ATOM 2867 HG LEU B 89 8.293 -1.183 7.993 1.00 0.00 H ATOM 2868 HD21 LEU B 89 6.015 -0.487 6.128 1.00 0.00 H ATOM 2869 HD22 LEU B 89 7.245 -1.752 5.887 1.00 0.00 H ATOM 2870 HD23 LEU B 89 6.075 -1.890 7.223 1.00 0.00 H ATOM 2871 HD11 LEU B 89 7.558 0.751 9.336 1.00 0.00 H ATOM 2872 HD12 LEU B 89 6.228 1.054 8.192 1.00 0.00 H ATOM 2873 HD13 LEU B 89 6.233 -0.428 9.180 1.00 0.00 H ATOM 2874 H LEU B 89 10.692 -1.038 6.852 1.00 0.00 H ATOM 2875 N LEU B 90 11.329 1.332 5.268 1.00 21.09 N ATOM 2876 CA LEU B 90 12.143 2.353 4.616 1.00 21.73 C ATOM 2877 C LEU B 90 12.231 2.094 3.109 1.00 22.23 C ATOM 2878 O LEU B 90 12.218 3.032 2.315 1.00 22.18 O ATOM 2879 CB LEU B 90 13.556 2.441 5.213 1.00 22.13 C ATOM 2880 CG LEU B 90 13.695 2.907 6.667 1.00 22.61 C ATOM 2881 CD1 LEU B 90 15.143 2.757 7.156 1.00 22.42 C ATOM 2882 CD2 LEU B 90 13.233 4.340 6.854 1.00 24.03 C ATOM 2883 HA LEU B 90 11.649 3.309 4.791 1.00 0.00 H ATOM 2884 HB2 LEU B 90 13.999 1.447 5.147 1.00 0.00 H ATOM 2885 HB3 LEU B 90 14.127 3.133 4.594 1.00 0.00 H ATOM 2886 HG LEU B 90 13.048 2.266 7.266 1.00 0.00 H ATOM 2887 HD21 LEU B 90 13.834 4.999 6.227 1.00 0.00 H ATOM 2888 HD22 LEU B 90 12.184 4.422 6.569 1.00 0.00 H ATOM 2889 HD23 LEU B 90 13.351 4.625 7.900 1.00 0.00 H ATOM 2890 HD11 LEU B 90 15.440 1.710 7.094 1.00 0.00 H ATOM 2891 HD12 LEU B 90 15.801 3.360 6.530 1.00 0.00 H ATOM 2892 HD13 LEU B 90 15.213 3.095 8.190 1.00 0.00 H ATOM 2893 H LEU B 90 11.745 0.746 6.020 1.00 0.00 H ATOM 2894 N THR B 91 12.325 0.829 2.709 1.00 22.20 N ATOM 2895 CA THR B 91 12.374 0.515 1.285 1.00 22.79 C ATOM 2896 C THR B 91 11.062 0.934 0.620 1.00 22.93 C ATOM 2897 O THR B 91 11.069 1.416 -0.514 1.00 23.71 O ATOM 2898 CB THR B 91 12.581 -0.984 1.025 1.00 23.52 C ATOM 2899 OG1 THR B 91 11.584 -1.747 1.719 1.00 23.30 O ATOM 2900 CG2 THR B 91 13.972 -1.428 1.440 1.00 24.42 C ATOM 2901 HA THR B 91 13.221 1.060 0.869 1.00 0.00 H ATOM 2902 HB THR B 91 12.481 -1.160 -0.046 1.00 0.00 H ATOM 2903 HG1 THR B 91 10.685 -1.482 1.399 1.00 0.00 H ATOM 2904 HG23 THR B 91 14.715 -0.838 0.904 1.00 0.00 H ATOM 2905 HG21 THR B 91 14.094 -1.280 2.513 1.00 0.00 H ATOM 2906 HG22 THR B 91 14.102 -2.483 1.200 1.00 0.00 H ATOM 2907 H THR B 91 12.364 0.063 3.412 1.00 0.00 H ATOM 2908 N GLN B 92 9.949 0.768 1.337 1.00 22.81 N ATOM 2909 CA GLN B 92 8.611 1.091 0.809 1.00 23.38 C ATOM 2910 C GLN B 92 8.420 2.576 0.498 1.00 23.47 C ATOM 2911 O GLN B 92 7.632 2.923 -0.386 1.00 23.80 O ATOM 2912 CB GLN B 92 7.500 0.654 1.777 1.00 23.40 C ATOM 2913 CG GLN B 92 7.457 -0.838 2.087 1.00 23.91 C ATOM 2914 CD GLN B 92 6.258 -1.241 2.933 1.00 24.92 C ATOM 2915 OE1 GLN B 92 5.376 -0.427 3.218 1.00 27.16 O ATOM 2916 NE2 GLN B 92 6.209 -2.514 3.315 1.00 27.99 N ATOM 2917 HA GLN B 92 8.540 0.534 -0.125 1.00 0.00 H ATOM 2918 HB2 GLN B 92 7.641 1.190 2.716 1.00 0.00 H ATOM 2919 HB3 GLN B 92 6.542 0.935 1.340 1.00 0.00 H ATOM 2920 HG2 GLN B 92 7.417 -1.387 1.146 1.00 0.00 H ATOM 2921 HG3 GLN B 92 8.366 -1.107 2.624 1.00 0.00 H ATOM 2922 HE22 GLN B 92 6.976 -3.166 3.052 1.00 0.00 H ATOM 2923 HE21 GLN B 92 5.404 -2.858 3.877 1.00 0.00 H ATOM 2924 H GLN B 92 10.028 0.397 2.305 1.00 0.00 H ATOM 2925 N ILE B 93 9.119 3.442 1.233 1.00 23.85 N ATOM 2926 CA ILE B 93 9.050 4.889 1.017 1.00 24.26 C ATOM 2927 C ILE B 93 10.222 5.439 0.186 1.00 24.54 C ATOM 2928 O ILE B 93 10.374 6.653 0.052 1.00 24.24 O ATOM 2929 CB ILE B 93 8.889 5.669 2.349 1.00 24.22 C ATOM 2930 CG1 ILE B 93 10.149 5.601 3.221 1.00 24.62 C ATOM 2931 CG2 ILE B 93 7.684 5.141 3.115 1.00 24.94 C ATOM 2932 CD1 ILE B 93 10.075 6.493 4.452 1.00 24.20 C ATOM 2933 HA ILE B 93 8.151 5.052 0.423 1.00 0.00 H ATOM 2934 HB ILE B 93 8.732 6.718 2.098 1.00 0.00 H ATOM 2935 HG12 ILE B 93 10.290 4.571 3.547 1.00 0.00 H ATOM 2936 HG13 ILE B 93 11.004 5.910 2.620 1.00 0.00 H ATOM 2937 HD11 ILE B 93 9.945 7.529 4.141 1.00 0.00 H ATOM 2938 HD12 ILE B 93 9.230 6.189 5.069 1.00 0.00 H ATOM 2939 HD13 ILE B 93 10.998 6.397 5.024 1.00 0.00 H ATOM 2940 HG21 ILE B 93 6.786 5.270 2.511 1.00 0.00 H ATOM 2941 HG22 ILE B 93 7.828 4.083 3.332 1.00 0.00 H ATOM 2942 HG23 ILE B 93 7.578 5.694 4.049 1.00 0.00 H ATOM 2943 H ILE B 93 9.735 3.077 1.987 1.00 0.00 H ATOM 2944 N GLY B 94 11.023 4.543 -0.385 1.00 24.93 N ATOM 2945 CA GLY B 94 12.086 4.914 -1.316 1.00 25.10 C ATOM 2946 C GLY B 94 13.302 5.555 -0.682 1.00 25.75 C ATOM 2947 O GLY B 94 13.992 6.363 -1.317 1.00 26.19 O ATOM 2948 HA3 GLY B 94 11.672 5.617 -2.039 1.00 0.00 H ATOM 2949 HA2 GLY B 94 12.411 4.012 -1.834 1.00 0.00 H ATOM 2950 H GLY B 94 10.887 3.537 -0.159 1.00 0.00 H ATOM 2951 N CYS B 95 13.575 5.182 0.567 1.00 25.87 N ATOM 2952 CA CYS B 95 14.685 5.746 1.337 1.00 25.79 C ATOM 2953 C CYS B 95 16.025 5.153 0.914 1.00 25.51 C ATOM 2954 O CYS B 95 16.156 3.938 0.773 1.00 25.63 O ATOM 2955 CB CYS B 95 14.444 5.491 2.827 1.00 25.72 C ATOM 2956 SG CYS B 95 15.489 6.484 3.900 1.00 28.82 S ATOM 2957 HA CYS B 95 14.727 6.818 1.143 1.00 0.00 H ATOM 2958 HB2 CYS B 95 14.638 4.438 3.033 1.00 0.00 H ATOM 2959 HB3 CYS B 95 13.402 5.718 3.052 1.00 0.00 H ATOM 2960 HG CYS B 95 15.204 6.189 5.218 1.00 0.00 H ATOM 2961 H CYS B 95 12.975 4.460 1.014 1.00 0.00 H ATOM 2962 N THR B 96 17.010 6.021 0.695 1.00 25.65 N ATOM 2963 CA THR B 96 18.384 5.603 0.450 1.00 25.32 C ATOM 2964 C THR B 96 19.345 6.365 1.356 1.00 25.28 C ATOM 2965 O THR B 96 19.020 7.438 1.871 1.00 24.46 O ATOM 2966 CB THR B 96 18.804 5.860 -1.017 1.00 25.21 C ATOM 2967 OG1 THR B 96 18.647 7.249 -1.325 1.00 25.35 O ATOM 2968 CG2 THR B 96 17.979 5.028 -1.995 1.00 26.19 C ATOM 2969 HA THR B 96 18.430 4.534 0.658 1.00 0.00 H ATOM 2970 HB THR B 96 19.848 5.566 -1.121 1.00 0.00 H ATOM 2971 HG1 THR B 96 17.699 7.508 -1.203 1.00 0.00 H ATOM 2972 HG23 THR B 96 18.098 3.970 -1.761 1.00 0.00 H ATOM 2973 HG21 THR B 96 16.928 5.304 -1.909 1.00 0.00 H ATOM 2974 HG22 THR B 96 18.323 5.217 -3.012 1.00 0.00 H ATOM 2975 H THR B 96 16.790 7.038 0.699 1.00 0.00 H ATOM 2976 N LEU B 97 20.524 5.778 1.545 1.00 24.92 N ATOM 2977 CA LEU B 97 21.673 6.465 2.124 1.00 25.84 C ATOM 2978 C LEU B 97 22.506 7.044 1.002 1.00 25.73 C ATOM 2979 O LEU B 97 22.733 6.378 -0.005 1.00 25.66 O ATOM 2980 CB LEU B 97 22.549 5.488 2.898 1.00 26.35 C ATOM 2981 CG LEU B 97 21.959 5.028 4.225 1.00 28.29 C ATOM 2982 CD1 LEU B 97 22.647 3.731 4.670 1.00 30.02 C ATOM 2983 CD2 LEU B 97 22.115 6.126 5.267 1.00 29.39 C ATOM 2984 HA LEU B 97 21.313 7.243 2.797 1.00 0.00 H ATOM 2985 HB2 LEU B 97 22.713 4.609 2.275 1.00 0.00 H ATOM 2986 HB3 LEU B 97 23.505 5.972 3.099 1.00 0.00 H ATOM 2987 HG LEU B 97 20.894 4.826 4.107 1.00 0.00 H ATOM 2988 HD21 LEU B 97 23.173 6.350 5.401 1.00 0.00 H ATOM 2989 HD22 LEU B 97 21.592 7.021 4.931 1.00 0.00 H ATOM 2990 HD23 LEU B 97 21.691 5.790 6.213 1.00 0.00 H ATOM 2991 HD11 LEU B 97 22.489 2.960 3.916 1.00 0.00 H ATOM 2992 HD12 LEU B 97 23.715 3.911 4.790 1.00 0.00 H ATOM 2993 HD13 LEU B 97 22.223 3.404 5.619 1.00 0.00 H ATOM 2994 H LEU B 97 20.631 4.782 1.267 1.00 0.00 H ATOM 2995 N ASN B 98 22.951 8.283 1.169 1.00 25.88 N ATOM 2996 CA ASN B 98 23.737 8.950 0.141 1.00 26.19 C ATOM 2997 C ASN B 98 24.953 9.638 0.736 1.00 26.41 C ATOM 2998 O ASN B 98 24.810 10.394 1.690 1.00 25.92 O ATOM 2999 CB ASN B 98 22.873 9.976 -0.579 1.00 25.97 C ATOM 3000 CG ASN B 98 21.704 9.338 -1.281 1.00 26.74 C ATOM 3001 OD1 ASN B 98 20.668 9.056 -0.674 1.00 28.98 O ATOM 3002 ND2 ASN B 98 21.881 9.068 -2.563 1.00 29.85 N ATOM 3003 HA ASN B 98 24.083 8.195 -0.565 1.00 0.00 H ATOM 3004 HB2 ASN B 98 22.497 10.693 0.150 1.00 0.00 H ATOM 3005 HB3 ASN B 98 23.485 10.496 -1.316 1.00 0.00 H ATOM 3006 HD22 ASN B 98 22.774 9.326 -3.030 1.00 0.00 H ATOM 3007 HD21 ASN B 98 21.128 8.598 -3.104 1.00 0.00 H ATOM 3008 H ASN B 98 22.734 8.788 2.052 1.00 0.00 H ATOM 3009 N PHE B 99 26.135 9.352 0.192 1.00 27.28 N ATOM 3010 CA PHE B 99 27.355 10.084 0.533 1.00 27.43 C ATOM 3011 C PHE B 99 28.335 10.085 -0.630 1.00 28.42 C ATOM 3012 O PHE B 99 29.411 10.680 -0.527 1.00 28.94 O ATOM 3013 CB PHE B 99 28.046 9.553 1.796 1.00 28.06 C ATOM 3014 CG PHE B 99 28.508 8.127 1.714 1.00 27.97 C ATOM 3015 CD1 PHE B 99 27.612 7.082 1.880 1.00 29.36 C ATOM 3016 CD2 PHE B 99 29.851 7.822 1.522 1.00 28.77 C ATOM 3017 CE1 PHE B 99 28.036 5.761 1.832 1.00 29.30 C ATOM 3018 CE2 PHE B 99 30.279 6.498 1.466 1.00 30.34 C ATOM 3019 CZ PHE B 99 29.369 5.472 1.621 1.00 29.91 C ATOM 3020 HA PHE B 99 27.040 11.106 0.744 1.00 0.00 H ATOM 3021 OXT PHE B 99 28.061 9.520 -1.693 1.00 29.03 O ATOM 3022 HB2 PHE B 99 28.915 10.180 1.995 1.00 0.00 H ATOM 3023 HB3 PHE B 99 27.344 9.634 2.626 1.00 0.00 H ATOM 3024 HD2 PHE B 99 30.577 8.628 1.414 1.00 0.00 H ATOM 3025 HE2 PHE B 99 31.332 6.272 1.300 1.00 0.00 H ATOM 3026 HZ PHE B 99 29.702 4.435 1.577 1.00 0.00 H ATOM 3027 HE1 PHE B 99 27.317 4.952 1.961 1.00 0.00 H ATOM 3028 HD1 PHE B 99 26.558 7.301 2.051 1.00 0.00 H ATOM 3029 H PHE B 99 26.193 8.579 -0.501 1.00 0.00 H TER 3030 PHE B 99 HETATM 3031 O HOH 1 32.639 12.494 14.951 1.00 16.95 O HETATM 3032 O HOH 2 33.561 10.625 16.898 1.00 16.04 O HETATM 3033 O HOH 3 20.212 6.506 18.123 1.00 17.37 O HETATM 3034 O HOH 4 31.657 5.971 18.579 1.00 16.71 O HETATM 3035 O HOH 5 34.189 -8.108 9.236 1.00 28.13 O HETATM 3036 O HOH 6 28.804 -6.376 28.118 1.00 23.95 O HETATM 3037 O HOH 7 22.561 -6.552 11.264 1.00 21.71 O HETATM 3038 O HOH 8 23.799 3.926 24.247 1.00 23.33 O HETATM 3039 O HOH 9 25.021 5.422 22.288 1.00 22.18 O HETATM 3040 O HOH 10 24.538 13.325 1.280 1.00 25.81 O HETATM 3041 O HOH 11 33.727 -9.300 19.688 1.00 24.74 O HETATM 3042 O HOH 12 44.285 1.892 7.988 1.00 25.00 O HETATM 3043 O HOH 13 25.230 -6.791 10.161 1.00 26.91 O HETATM 3044 O HOH 14 41.015 8.515 7.921 1.00 25.74 O HETATM 3045 O HOH 15 24.709 8.079 23.016 1.00 17.92 O HETATM 3046 O HOH 16 31.064 -9.670 18.977 1.00 27.29 O HETATM 3047 O HOH 17 43.363 3.358 11.932 1.00 20.30 O HETATM 3048 O HOH 18 30.698 8.366 19.763 1.00 24.61 O HETATM 3049 O HOH 19 24.522 14.101 7.757 1.00 23.73 O HETATM 3050 O HOH 20 41.968 11.594 7.222 1.00 38.26 O HETATM 3051 O HOH 21 25.132 -8.780 8.607 1.00 29.46 O HETATM 3052 O HOH 22 16.076 1.385 -0.423 1.00 24.92 O HETATM 3053 O HOH 23 22.492 -0.461 -2.786 1.00 37.38 O HETATM 3054 O HOH 24 31.552 7.879 22.943 1.00 33.57 O HETATM 3055 O HOH 25 42.361 6.143 7.468 1.00 31.12 O HETATM 3056 O HOH 26 32.400 -2.590 0.248 1.00 30.90 O HETATM 3057 O HOH 27 24.161 -6.808 2.626 1.00 30.71 O HETATM 3058 O HOH 28 19.908 -2.809 -1.147 1.00 30.92 O HETATM 3059 O HOH 29 44.696 10.583 15.843 1.00 28.34 O HETATM 3060 O HOH 30 47.640 -0.256 12.670 1.00 26.21 O HETATM 3061 O HOH 31 45.472 4.616 10.647 1.00 29.41 O HETATM 3062 O HOH 32 29.416 -6.618 9.266 1.00 36.12 O HETATM 3063 O HOH 33 27.232 9.173 22.003 1.00 25.03 O HETATM 3064 O HOH 34 37.651 1.759 2.680 1.00 34.89 O HETATM 3065 O HOH 35 28.094 -9.933 26.127 1.00 27.94 O HETATM 3066 O HOH 36 19.772 -8.956 27.357 1.00 35.45 O HETATM 3067 O HOH 37 36.569 -5.422 15.011 1.00 31.10 O HETATM 3068 O HOH 38 35.947 13.693 17.719 1.00 38.78 O HETATM 3069 O HOH 39 23.083 11.605 21.268 1.00 30.55 O HETATM 3070 O HOH 40 25.872 11.419 20.241 1.00 38.63 O HETATM 3071 O HOH 41 27.434 -9.235 23.771 1.00 29.10 O HETATM 3072 O HOH 42 21.988 -2.087 1.232 1.00 31.19 O HETATM 3073 O HOH 43 28.798 14.431 14.442 1.00 31.25 O HETATM 3074 O HOH 44 32.914 -6.220 27.283 1.00 36.09 O HETATM 3075 O HOH 45 41.274 7.435 26.536 1.00 35.21 O HETATM 3076 O HOH 46 31.457 -8.162 10.120 1.00 34.54 O HETATM 3077 O HOH 47 31.759 -10.701 11.932 1.00 42.71 O HETATM 3078 O HOH 48 40.735 12.792 22.151 1.00 37.77 O HETATM 3079 O HOH 49 31.447 14.381 16.291 1.00 34.22 O HETATM 3080 O HOH 50 42.570 15.514 18.342 1.00 32.63 O HETATM 3081 O HOH 51 42.394 -7.352 7.103 1.00 34.52 O HETATM 3082 O HOH 52 36.283 -7.087 4.734 1.00 33.79 O HETATM 3083 O HOH 53 31.467 -4.966 1.352 1.00 36.44 O HETATM 3084 O HOH 54 33.779 12.025 2.607 1.00 36.52 O HETATM 3085 O HOH 55 16.884 14.443 -1.352 1.00 32.97 O HETATM 3086 O HOH 56 22.503 -6.486 28.032 1.00 31.89 O HETATM 3087 O HOH 57 29.494 -9.675 15.965 1.00 32.02 O HETATM 3088 O HOH 58 43.279 13.881 15.745 1.00 25.34 O HETATM 3089 O HOH 59 45.597 0.165 23.556 1.00 38.04 O HETATM 3090 O HOH 60 20.531 7.858 15.772 1.00 16.10 O HETATM 3091 O HOH 61 27.532 -5.544 10.623 1.00 21.42 O HETATM 3092 O HOH 62 37.343 11.005 18.528 1.00 19.17 O HETATM 3093 O HOH 63 41.809 6.998 22.764 1.00 23.34 O HETATM 3094 O HOH 64 22.699 -9.068 12.876 1.00 28.32 O HETATM 3095 O HOH 65 43.080 -6.950 16.975 1.00 31.93 O HETATM 3096 O HOH 66 42.225 3.565 7.725 1.00 29.88 O HETATM 3097 O HOH 67 46.140 2.702 9.502 1.00 40.63 O HETATM 3098 O HOH 68 38.339 13.283 20.916 1.00 37.45 O HETATM 3099 O HOH 69 22.755 5.894 25.924 1.00 40.74 O HETATM 3100 O HOH 70 20.236 3.615 -5.955 1.00 40.40 O HETATM 3101 O HOH 71 29.599 -7.584 12.104 1.00 26.17 O HETATM 3102 O HOH 72 35.184 -7.448 12.834 1.00 29.75 O HETATM 3103 O HOH 73 26.617 10.811 17.711 1.00 29.65 O HETATM 3104 O HOH 74 17.351 -0.225 -5.754 1.00 35.99 O HETATM 3105 O HOH 75 30.938 -7.871 28.444 1.00 35.92 O HETATM 3106 O HOH 76 18.603 13.967 11.803 1.00 24.92 O HETATM 3107 O HOH 77 18.396 17.370 7.892 1.00 25.66 O HETATM 3108 O HOH 78 9.690 -7.516 9.681 1.00 23.17 O HETATM 3109 O HOH 79 6.137 -17.532 17.347 1.00 27.29 O HETATM 3110 O HOH 80 16.055 -10.146 11.000 1.00 24.66 O HETATM 3111 O HOH 81 16.287 15.334 11.730 1.00 29.33 O HETATM 3112 O HOH 82 -0.666 -4.894 24.518 1.00 36.03 O HETATM 3113 O HOH 83 -7.067 2.714 14.549 1.00 22.40 O HETATM 3114 O HOH 84 12.722 7.821 -3.295 1.00 28.53 O HETATM 3115 O HOH 85 9.263 -10.206 10.824 1.00 27.13 O HETATM 3116 O HOH 86 3.167 -7.671 6.835 1.00 36.29 O HETATM 3117 O HOH 87 12.360 -10.195 26.239 1.00 29.23 O HETATM 3118 O HOH 88 6.363 8.862 20.121 1.00 28.57 O HETATM 3119 O HOH 89 17.751 14.125 19.142 1.00 38.31 O HETATM 3120 O HOH 90 16.518 17.538 10.015 1.00 35.81 O HETATM 3121 O HOH 91 17.678 -9.662 7.218 1.00 36.19 O HETATM 3122 O HOH 92 4.781 8.603 21.938 1.00 55.47 O HETATM 3123 O HOH 93 3.434 11.280 8.874 1.00 34.89 O HETATM 3124 O HOH 94 20.334 -4.804 10.656 1.00 17.07 O HETATM 3125 O HOH 95 19.978 -2.211 19.799 1.00 16.86 O HETATM 3126 O HOH 96 13.312 -9.385 9.080 1.00 30.13 O HETATM 3127 O HOH 97 9.025 -5.282 11.165 1.00 20.24 O HETATM 3128 O HOH 98 20.058 -3.199 8.370 1.00 16.56 O HETATM 3129 O HOH 99 12.126 -15.301 16.217 1.00 18.21 O HETATM 3130 O HOH 100 16.977 -8.839 15.098 1.00 20.80 O HETATM 3131 O HOH 101 20.422 16.481 11.593 1.00 20.80 O HETATM 3132 O HOH 102 20.608 -12.910 23.856 1.00 26.84 O HETATM 3133 O HOH 103 15.309 -8.298 13.226 1.00 25.33 O HETATM 3134 O HOH 104 13.755 -6.300 6.413 1.00 30.34 O HETATM 3135 O HOH 105 -2.730 1.681 11.012 1.00 29.02 O HETATM 3136 O HOH 106 13.670 -13.930 14.327 1.00 28.83 O HETATM 3137 O HOH 107 15.822 11.292 20.931 1.00 37.23 O HETATM 3138 O HOH 108 -0.892 -14.780 20.099 1.00 38.63 O HETATM 3139 O HOH 109 18.131 18.524 5.429 1.00 25.97 O HETATM 3140 O HOH 110 -5.201 0.523 14.585 1.00 31.09 O HETATM 3141 O HOH 111 20.362 18.987 3.747 1.00 27.87 O HETATM 3142 O HOH 112 10.017 7.291 19.500 1.00 31.17 O HETATM 3143 O HOH 113 6.649 6.765 -0.881 1.00 28.70 O HETATM 3144 O HOH 114 -0.221 3.504 4.921 1.00 30.53 O HETATM 3145 O HOH 115 -0.275 -1.017 24.624 1.00 49.68 O HETATM 3146 O HOH 116 -4.790 -7.431 18.494 1.00 29.80 O HETATM 3147 O HOH 117 30.332 12.572 0.983 1.00 31.65 O HETATM 3148 O HOH 118 13.819 -11.983 10.801 1.00 41.34 O HETATM 3149 O HOH 119 5.063 4.288 -0.221 1.00 31.45 O HETATM 3150 O HOH 120 8.677 -4.347 2.916 1.00 47.40 O HETATM 3151 O HOH 121 17.773 -11.205 13.780 1.00 27.66 O HETATM 3152 O HOH 122 9.881 -10.661 27.528 1.00 33.23 O HETATM 3153 O HOH 123 16.239 7.842 -2.386 1.00 28.68 O HETATM 3154 O HOH 124 9.363 -1.974 -0.167 1.00 39.76 O HETATM 3155 O HOH 125 14.956 -3.829 24.996 1.00 32.71 O HETATM 3156 O HOH 126 14.971 -8.573 7.043 1.00 44.44 O HETATM 3157 O HOH 127 -3.851 7.162 19.575 1.00 31.66 O HETATM 3158 O HOH 128 -2.182 10.865 18.987 1.00 34.43 O HETATM 3159 O HOH 129 25.929 -7.629 23.478 1.00 38.37 O HETATM 3160 O HOH 130 -5.512 6.247 17.808 1.00 40.21 O HETATM 3161 O HOH 131 17.299 -13.740 13.941 1.00 39.93 O HETATM 3162 O HOH 132 9.175 -7.877 6.965 1.00 30.87 O HETATM 3163 O HOH 133 5.455 11.016 20.704 1.00 54.82 O HETATM 3164 O HOH 134 14.495 14.784 13.833 1.00 35.13 O HETATM 3165 O HOH 135 15.275 7.589 18.970 1.00 54.10 O HETATM 3166 O HOH 136 1.279 -3.158 23.822 1.00 45.79 O HETATM 3167 O HOH 137 -4.935 -10.209 11.025 1.00 48.38 O HETATM 3168 O HOH 138 6.968 -15.320 9.905 1.00 43.12 O HETATM 3169 O HOH 139 14.038 -4.788 3.712 1.00 37.43 O HETATM 3170 O HOH 140 9.281 14.072 15.671 1.00 52.29 O HETATM 3171 O HOH 141 -2.299 1.442 22.272 1.00 36.26 O HETATM 3172 O HOH 142 -0.279 -14.508 14.080 1.00 37.01 O HETATM 3173 CAA DR A 7 19.319 -7.833 12.836 1.00 0.07 C HETATM 3174 OBI DR A 7 18.993 -7.112 14.020 1.00 -0.27 O HETATM 3175 CBK DR A 7 18.475 -5.764 13.937 1.00 0.32 C HETATM 3176 OAI DR A 7 18.264 -5.258 12.850 1.00 -0.38 O HETATM 3177 N DR A 7 18.300 -5.193 15.126 1.00 -0.24 N HETATM 3178 CA DR A 7 17.812 -3.843 15.315 1.00 0.14 C HETATM 3179 CB DR A 7 16.385 -3.915 15.865 1.00 0.00 C HETATM 3180 CAE DR A 7 15.893 -2.491 16.147 1.00 -0.06 C HETATM 3181 H6 DR A 7 14.867 -2.529 16.543 1.00 0.02 H HETATM 3182 H7 DR A 7 15.904 -1.908 15.214 1.00 0.02 H HETATM 3183 H8 DR A 7 16.554 -2.014 16.886 1.00 0.02 H HETATM 3184 CG2 DR A 7 16.224 -4.770 17.110 1.00 -0.06 C HETATM 3185 H9 DR A 7 16.578 -5.790 16.902 1.00 0.02 H HETATM 3186 H10 DR A 7 15.163 -4.802 17.398 1.00 0.02 H HETATM 3187 H11 DR A 7 16.814 -4.337 17.931 1.00 0.02 H HETATM 3188 CG1 DR A 7 15.518 -4.544 14.774 1.00 -0.06 C HETATM 3189 H12 DR A 7 15.605 -3.953 13.850 1.00 0.02 H HETATM 3190 H13 DR A 7 14.468 -4.558 15.102 1.00 0.02 H HETATM 3191 H14 DR A 7 15.857 -5.573 14.585 1.00 0.02 H HETATM 3192 C DR A 7 18.790 -3.073 16.149 1.00 0.20 C HETATM 3193 O DR A 7 18.793 -3.215 17.356 1.00 -0.39 O HETATM 3194 NBG DR A 7 19.630 -2.290 15.463 1.00 -0.28 N HETATM 3195 CBT DR A 7 20.682 -1.496 16.101 1.00 0.08 C HETATM 3196 CBA DR A 7 22.003 -1.982 15.505 1.00 0.01 C HETATM 3197 CBO DR A 7 22.150 -3.481 15.644 1.00 -0.04 C HETATM 3198 CAT DR A 7 22.036 -4.308 14.532 1.00 -0.06 C HETATM 3199 CAP DR A 7 22.167 -5.692 14.689 1.00 -0.07 C HETATM 3200 CAN DR A 7 22.400 -6.229 15.954 1.00 -0.07 C HETATM 3201 CAQ DR A 7 22.530 -5.393 17.051 1.00 -0.07 C HETATM 3202 CAU DR A 7 22.400 -4.017 16.893 1.00 -0.06 C HETATM 3203 H23 DR A 7 22.495 -3.363 17.752 1.00 0.06 H HETATM 3204 H22 DR A 7 22.733 -5.810 18.031 1.00 0.06 H HETATM 3205 H21 DR A 7 22.480 -7.303 16.080 1.00 0.06 H HETATM 3206 H20 DR A 7 22.087 -6.346 13.828 1.00 0.06 H HETATM 3207 H19 DR A 7 21.847 -3.884 13.552 1.00 0.06 H HETATM 3208 H17 DR A 7 22.835 -1.490 16.030 1.00 0.04 H HETATM 3209 H18 DR A 7 22.034 -1.716 14.438 1.00 0.04 H HETATM 3210 CBS DR A 7 20.487 0.009 15.851 1.00 0.12 C HETATM 3211 OAM DR A 7 20.275 0.293 14.480 1.00 -0.38 O HETATM 3212 H25 DR A 7 20.159 1.229 14.366 1.00 0.21 H HETATM 3213 CBC DR A 7 19.326 0.601 16.656 1.00 0.02 C HETATM 3214 NBW DR A 7 19.686 0.580 18.065 1.00 0.38 N HETATM 3215 NBH DR A 7 20.686 1.400 18.375 1.00 -0.25 N HETATM 3216 CBN DR A 7 21.510 1.117 19.370 1.00 0.24 C HETATM 3217 OAL DR A 7 21.414 0.124 20.076 1.00 -0.39 O HETATM 3218 CBV DR A 7 22.572 2.152 19.615 1.00 0.14 C HETATM 3219 CBY DR A 7 23.990 1.596 19.800 1.00 0.00 C HETATM 3220 CAH DR A 7 24.935 2.798 19.804 1.00 -0.06 C HETATM 3221 H31 DR A 7 25.970 2.450 19.935 1.00 0.02 H HETATM 3222 H32 DR A 7 24.668 3.472 20.631 1.00 0.02 H HETATM 3223 H33 DR A 7 24.847 3.337 18.849 1.00 0.02 H HETATM 3224 CAF DR A 7 24.291 0.710 18.599 1.00 -0.06 C HETATM 3225 H34 DR A 7 23.609 -0.153 18.600 1.00 0.02 H HETATM 3226 H35 DR A 7 25.331 0.356 18.656 1.00 0.02 H HETATM 3227 H36 DR A 7 24.150 1.287 17.673 1.00 0.02 H HETATM 3228 CAG DR A 7 24.193 0.852 21.116 1.00 -0.06 C HETATM 3229 H37 DR A 7 23.966 1.525 21.956 1.00 0.02 H HETATM 3230 H38 DR A 7 25.237 0.514 21.189 1.00 0.02 H HETATM 3231 H39 DR A 7 23.522 -0.019 21.152 1.00 0.02 H HETATM 3232 NBF DR A 7 22.142 2.910 20.758 1.00 -0.24 N HETATM 3233 CBL DR A 7 22.002 4.230 20.781 1.00 0.32 C HETATM 3234 OAJ DR A 7 22.216 5.000 19.853 1.00 -0.38 O HETATM 3235 OBJ DR A 7 21.554 4.706 22.067 1.00 -0.27 O HETATM 3236 CAB DR A 7 21.236 6.096 22.159 1.00 0.07 C HETATM 3237 H41 DR A 7 20.910 6.330 23.183 1.00 0.06 H HETATM 3238 H42 DR A 7 20.427 6.335 21.453 1.00 0.06 H HETATM 3239 H43 DR A 7 22.126 6.693 21.912 1.00 0.06 H HETATM 3240 H40 DR A 7 21.933 2.407 21.596 1.00 0.19 H HETATM 3241 H30 DR A 7 22.602 2.820 18.742 1.00 0.08 H HETATM 3242 H29 DR A 7 20.817 2.241 17.849 1.00 0.24 H HETATM 3243 CBB DR A 7 18.518 0.679 18.927 1.00 0.03 C HETATM 3244 CBP DR A 7 18.260 2.019 19.580 1.00 0.00 C HETATM 3245 CAW DR A 7 18.273 1.991 20.909 1.00 -0.05 C HETATM 3246 CAY DR A 7 18.048 3.112 21.559 1.00 -0.06 C HETATM 3247 CBQ DR A 7 17.820 4.225 20.854 1.00 -0.01 C HETATM 3248 CAZ DR A 7 17.806 4.138 19.590 1.00 -0.06 C HETATM 3249 CAX DR A 7 18.021 3.116 18.997 1.00 -0.05 C HETATM 3250 H48 DR A 7 18.010 3.134 17.913 1.00 0.06 H HETATM 3251 H49 DR A 7 17.589 5.031 19.015 1.00 0.06 H HETATM 3252 CBR DR A 7 17.521 5.471 21.648 1.00 0.05 C HETATM 3253 CAV DR A 7 18.006 5.640 22.947 1.00 -0.03 C HETATM 3254 CAR DR A 7 17.685 6.781 23.665 1.00 -0.04 C HETATM 3255 CAO DR A 7 16.857 7.730 23.084 1.00 -0.04 C HETATM 3256 CAS DR A 7 16.373 7.519 21.800 1.00 0.01 C HETATM 3257 NBD DR A 7 16.699 6.409 21.118 1.00 -0.29 N HETATM 3258 H53 DR A 7 15.725 8.258 21.343 1.00 0.08 H HETATM 3259 H52 DR A 7 16.590 8.629 23.628 1.00 0.07 H HETATM 3260 H51 DR A 7 18.075 6.930 24.665 1.00 0.07 H HETATM 3261 H50 DR A 7 18.634 4.878 23.394 1.00 0.07 H HETATM 3262 H47 DR A 7 18.047 3.133 22.643 1.00 0.06 H HETATM 3263 H46 DR A 7 18.464 1.067 21.444 1.00 0.06 H HETATM 3264 H44 DR A 7 18.633 -0.065 19.729 1.00 0.10 H HETATM 3265 H45 DR A 7 17.635 0.430 18.320 1.00 0.10 H HETATM 3266 H28 DR A 7 20.054 -0.344 18.230 1.00 0.23 H HETATM 3267 H26 DR A 7 18.419 0.001 16.496 1.00 0.08 H HETATM 3268 H27 DR A 7 19.142 1.637 16.335 1.00 0.08 H HETATM 3269 H24 DR A 7 21.411 0.515 16.167 1.00 0.07 H HETATM 3270 H16 DR A 7 20.675 -1.677 17.186 1.00 0.06 H HETATM 3271 H15 DR A 7 19.535 -2.245 14.469 1.00 0.19 H HETATM 3272 H5 DR A 7 17.761 -3.348 14.334 1.00 0.08 H HETATM 3273 H4 DR A 7 18.519 -5.730 15.941 1.00 0.19 H HETATM 3274 H1 DR A 7 19.694 -8.831 13.106 1.00 0.06 H HETATM 3275 H2 DR A 7 20.094 -7.289 12.277 1.00 0.06 H HETATM 3276 H3 DR A 7 18.420 -7.936 12.210 1.00 0.06 H CONECT 3173 3174 3274 3275 3276 CONECT 3174 3173 3175 CONECT 3175 3174 3176 3177 CONECT 3176 3175 CONECT 3177 3175 3178 3273 CONECT 3178 3177 3179 3192 3272 CONECT 3179 3178 3180 3184 3188 CONECT 3180 3179 3181 3182 3183 CONECT 3181 3180 CONECT 3182 3180 CONECT 3183 3180 CONECT 3184 3179 3185 3186 3187 CONECT 3185 3184 CONECT 3186 3184 CONECT 3187 3184 CONECT 3188 3179 3189 3190 3191 CONECT 3189 3188 CONECT 3190 3188 CONECT 3191 3188 CONECT 3192 3178 3193 3194 CONECT 3193 3192 CONECT 3194 3192 3195 3271 CONECT 3195 3194 3196 3210 3270 CONECT 3196 3195 3197 3208 3209 CONECT 3197 3196 3198 3202 CONECT 3198 3197 3199 3207 CONECT 3199 3198 3200 3206 CONECT 3200 3199 3201 3205 CONECT 3201 3200 3202 3204 CONECT 3202 3197 3201 3203 CONECT 3203 3202 CONECT 3204 3201 CONECT 3205 3200 CONECT 3206 3199 CONECT 3207 3198 CONECT 3208 3196 CONECT 3209 3196 CONECT 3210 3195 3211 3213 3269 CONECT 3211 3210 3212 CONECT 3212 3211 CONECT 3213 3210 3214 3267 3268 CONECT 3214 3213 3215 3243 3266 CONECT 3215 3214 3216 3242 CONECT 3216 3215 3217 3218 CONECT 3217 3216 CONECT 3218 3216 3219 3232 3241 CONECT 3219 3218 3220 3224 3228 CONECT 3220 3219 3221 3222 3223 CONECT 3221 3220 CONECT 3222 3220 CONECT 3223 3220 CONECT 3224 3219 3225 3226 3227 CONECT 3225 3224 CONECT 3226 3224 CONECT 3227 3224 CONECT 3228 3219 3229 3230 3231 CONECT 3229 3228 CONECT 3230 3228 CONECT 3231 3228 CONECT 3232 3218 3233 3240 CONECT 3233 3232 3234 3235 CONECT 3234 3233 CONECT 3235 3233 3236 CONECT 3236 3235 3237 3238 3239 CONECT 3237 3236 CONECT 3238 3236 CONECT 3239 3236 CONECT 3240 3232 CONECT 3241 3218 CONECT 3242 3215 CONECT 3243 3214 3244 3264 3265 CONECT 3244 3243 3245 3249 CONECT 3245 3244 3246 3263 CONECT 3246 3245 3247 3262 CONECT 3247 3246 3248 3252 CONECT 3248 3247 3249 3251 CONECT 3249 3244 3248 3250 CONECT 3250 3249 CONECT 3251 3248 CONECT 3252 3247 3253 3257 CONECT 3253 3252 3254 3261 CONECT 3254 3253 3255 3260 CONECT 3255 3254 3256 3259 CONECT 3256 3255 3257 3258 CONECT 3257 3252 3256 CONECT 3258 3256 CONECT 3259 3255 CONECT 3260 3254 CONECT 3261 3253 CONECT 3262 3246 CONECT 3263 3245 CONECT 3264 3243 CONECT 3265 3243 CONECT 3266 3214 CONECT 3267 3213 CONECT 3268 3213 CONECT 3269 3210 CONECT 3270 3195 CONECT 3271 3194 CONECT 3272 3178 CONECT 3273 3177 CONECT 3274 3173 CONECT 3275 3173 CONECT 3276 3173 MASTER 0 0 0 0 0 0 0 0 3274 2 104 16 END
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Structure:
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99aa, >1EBY_1|Chains... at 90%
1hxw
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1k6t
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PDBbind
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1k6v
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PDBbind
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RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
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RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
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RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
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2i4u
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PDBbind
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2i4w
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PDBbind
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2o4k
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99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
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2p3b
RCSB PDB
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3ekp
RCSB PDB
PDBbind
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3ekq
RCSB PDB
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3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3el0
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PDBbind
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3el4
RCSB PDB
PDBbind
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3el5
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3kfn
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3m9f
RCSB PDB
PDBbind
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5hvp
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5ivs
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6dgx
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6dgy
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6dh2
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6dh3
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6dh4
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PDBbind
99aa, >6DH4_1|Chains... at 90%
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99aa, >6DH7_1|Chains... at 90%
6dh8
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9hvp
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6oy0
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PDBbind
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6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
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6oxx
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6oxw
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
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RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
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6oxp
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
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RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2aqu
RCSB PDB
PDBbind
DR7
2o4k
RCSB PDB
PDBbind
DR7
3eky
RCSB PDB
PDBbind
DR7
3el1
RCSB PDB
PDBbind
DR7
3el9
RCSB PDB
PDBbind
DR7
Entry Information
PDB ID
3ekw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Protease(Q7K/L10I/G48V/I54V/V64I/V82A)
Ligand Name
DR7
EC.Number
E.C.3.4.23.16
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=10.9nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Acs Chem.Biol. Vol. 7: pp. 1536-1546
Ligand Properties
Formula
C
3
8
H
5
3
N
6
O
7
Molecular Weight
705.863
Exact Mass
705.398
No. of atoms
104
No. of bonds
106
Polar Surface Area
172.42
LOGP Value
5.60 (
Computed with XLOGP3
)
4.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
COC(=O)N[C@@H](C(C)(C)C)C(=O)N[N@@H+](Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O
InChI String
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/p+1/t29-,30-,31+,32+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03369
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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