Browse entries in the PDBbind-CN Database
HEADER 3IUT_COMPLEX COMPND 3IUT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 215 ALA PRO ALA ALA VAL ASP TRP ARG ALA ARG GLY ALA VAL SEQRES 2 A 215 THR ALA VAL LYS ASP GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 A 215 ALA PHE SER ALA ILE GLY ASN VAL GLU CYS GLN TRP PHE SEQRES 4 A 215 LEU ALA GLY HIS PRO LEU THR ASN LEU ALA GLU GLN MET SEQRES 5 A 215 LEU VAL SER CYS ASP LYS THR ASP SER GLY CYS SER GLY SEQRES 6 A 215 GLY LEU MET ASN ASN ALA PHE GLU TRP ILE VAL GLN GLU SEQRES 7 A 215 ASN ASN GLY ALA VAL TYR THR GLU ASP SER TYR PRO TYR SEQRES 8 A 215 ALA SER GLY GLU GLY ILE SER PRO PRO CYS THR THR SER SEQRES 9 A 215 GLY HIS THR VAL GLY ALA THR ILE THR GLY HIS VAL GLU SEQRES 10 A 215 LEU PRO GLN ASP GLU ALA GLN ILE ALA ALA TRP LEU ALA SEQRES 11 A 215 VAL ASN GLY PRO VAL ALA VAL ALA VAL ASP ALA SER SER SEQRES 12 A 215 TRP MET THR TYR THR GLY GLY VAL MET THR SER CYS VAL SEQRES 13 A 215 SER GLU GLN LEU ASP HIS GLY VAL LEU LEU VAL GLY TYR SEQRES 14 A 215 ASN ASP GLY ALA ALA VAL PRO TYR TRP ILE ILE LYS ASN SEQRES 15 A 215 SER TRP THR THR GLN TRP GLY GLU GLU GLY TYR ILE ARG SEQRES 16 A 215 ILE ALA LYS GLY SER ASN GLN CYS LEU VAL LYS GLU GLU SEQRES 17 A 215 ALA SER SER ALA VAL VAL GLY HET KB A 2 64 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 56 CYS A 101 SSBOND 3 CYS A 155 CYS A 203 ATOM 1 N ALA A 1 -5.966 -17.449 15.428 1.00 18.94 N ATOM 2 CA ALA A 1 -4.512 -17.017 15.309 1.00 16.58 C ATOM 3 C ALA A 1 -3.772 -17.383 16.624 1.00 15.48 C ATOM 4 O ALA A 1 -4.439 -17.638 17.643 1.00 15.50 O ATOM 5 CB ALA A 1 -4.454 -15.570 15.014 1.00 17.27 C ATOM 6 HA ALA A 1 -4.015 -17.536 14.489 1.00 0.00 H ATOM 7 HB1 ALA A 1 -4.972 -15.371 14.076 1.00 0.00 H ATOM 8 HB2 ALA A 1 -4.935 -15.016 15.821 1.00 0.00 H ATOM 9 HB3 ALA A 1 -3.413 -15.259 14.929 1.00 0.00 H ATOM 10 HN3 ALA A 1 -6.408 -16.957 16.230 1.00 0.00 H ATOM 11 HN2 ALA A 1 -6.010 -18.476 15.583 1.00 0.00 H ATOM 12 HN1 ALA A 1 -6.471 -17.208 14.551 1.00 0.00 H ATOM 13 N PRO A 2 -2.418 -17.423 16.640 1.00 13.96 N ATOM 14 CA PRO A 2 -1.655 -17.562 17.892 1.00 13.09 C ATOM 15 C PRO A 2 -2.045 -16.497 18.913 1.00 10.93 C ATOM 16 O PRO A 2 -2.457 -15.394 18.558 1.00 9.84 O ATOM 17 CB PRO A 2 -0.196 -17.384 17.498 1.00 14.50 C ATOM 18 CG PRO A 2 -0.208 -17.573 15.986 1.00 15.82 C ATOM 19 CD PRO A 2 -1.541 -17.219 15.476 1.00 14.46 C ATOM 20 HA PRO A 2 -1.852 -18.527 18.359 1.00 0.00 H ATOM 21 HD3 PRO A 2 -1.569 -16.181 15.144 1.00 0.00 H ATOM 22 HD2 PRO A 2 -1.829 -17.871 14.651 1.00 0.00 H ATOM 23 HG3 PRO A 2 0.013 -18.613 15.744 1.00 0.00 H ATOM 24 HG2 PRO A 2 0.543 -16.928 15.530 1.00 0.00 H ATOM 25 HB2 PRO A 2 0.161 -16.389 17.763 1.00 0.00 H ATOM 26 HB3 PRO A 2 0.432 -18.134 17.979 1.00 0.00 H ATOM 27 N ALA A 3 -1.933 -16.824 20.198 1.00 11.19 N ATOM 28 CA ALA A 3 -2.233 -15.873 21.275 1.00 10.88 C ATOM 29 C ALA A 3 -1.260 -14.692 21.262 1.00 9.43 C ATOM 30 O ALA A 3 -1.609 -13.595 21.646 1.00 9.27 O ATOM 31 CB ALA A 3 -2.173 -16.589 22.670 1.00 12.41 C ATOM 32 HA ALA A 3 -3.240 -15.492 21.107 1.00 0.00 H ATOM 33 HB1 ALA A 3 -2.905 -17.396 22.694 1.00 0.00 H ATOM 34 HB2 ALA A 3 -1.174 -16.998 22.825 1.00 0.00 H ATOM 35 HB3 ALA A 3 -2.398 -15.869 23.457 1.00 0.00 H ATOM 36 H ALA A 3 -1.623 -17.785 20.447 1.00 0.00 H ATOM 37 N ALA A 4 -0.039 -14.892 20.816 1.00 9.10 N ATOM 38 CA ALA A 4 0.997 -13.837 20.779 1.00 8.24 C ATOM 39 C ALA A 4 1.947 -14.069 19.607 1.00 7.54 C ATOM 40 O ALA A 4 2.285 -15.247 19.319 1.00 9.51 O ATOM 41 CB ALA A 4 1.725 -13.770 22.068 1.00 9.83 C ATOM 42 HA ALA A 4 0.511 -12.873 20.630 1.00 0.00 H ATOM 43 HB1 ALA A 4 1.022 -13.545 22.870 1.00 0.00 H ATOM 44 HB2 ALA A 4 2.205 -14.729 22.263 1.00 0.00 H ATOM 45 HB3 ALA A 4 2.481 -12.987 22.016 1.00 0.00 H ATOM 46 H ALA A 4 0.211 -15.841 20.472 1.00 0.00 H ATOM 47 N VAL A 5 2.434 -12.997 19.002 1.00 7.26 N ATOM 48 CA VAL A 5 3.394 -13.004 17.931 1.00 7.41 C ATOM 49 C VAL A 5 4.349 -11.830 18.154 1.00 6.82 C ATOM 50 O VAL A 5 3.906 -10.739 18.438 1.00 7.89 O ATOM 51 CB VAL A 5 2.702 -12.863 16.521 1.00 9.21 C ATOM 52 CG1 VAL A 5 3.724 -12.698 15.412 1.00 10.91 C ATOM 53 CG2 VAL A 5 1.747 -14.061 16.274 1.00 10.82 C ATOM 54 HA VAL A 5 3.926 -13.955 17.935 1.00 0.00 H ATOM 55 HB VAL A 5 2.101 -11.953 16.516 1.00 0.00 H ATOM 56 HG11 VAL A 5 4.317 -11.802 15.596 1.00 0.00 H ATOM 57 HG12 VAL A 5 4.378 -13.570 15.390 1.00 0.00 H ATOM 58 HG13 VAL A 5 3.209 -12.604 14.456 1.00 0.00 H ATOM 59 HG21 VAL A 5 2.317 -14.990 16.303 1.00 0.00 H ATOM 60 HG22 VAL A 5 0.981 -14.079 17.049 1.00 0.00 H ATOM 61 HG23 VAL A 5 1.275 -13.952 15.297 1.00 0.00 H ATOM 62 H VAL A 5 2.093 -12.070 19.329 1.00 0.00 H ATOM 63 N ASP A 6 5.638 -12.026 17.919 1.00 7.31 N ATOM 64 CA ASP A 6 6.596 -10.917 17.899 1.00 7.16 C ATOM 65 C ASP A 6 7.657 -11.284 16.851 1.00 8.23 C ATOM 66 O ASP A 6 8.524 -12.149 17.082 1.00 8.86 O ATOM 67 CB ASP A 6 7.225 -10.709 19.279 1.00 8.40 C ATOM 68 CG ASP A 6 8.138 -9.497 19.342 1.00 9.18 C ATOM 69 OD1 ASP A 6 8.436 -9.054 20.500 1.00 10.94 O ATOM 70 OD2 ASP A 6 8.561 -8.967 18.284 1.00 8.68 O ATOM 71 HA ASP A 6 6.106 -9.977 17.645 1.00 0.00 H ATOM 72 HB2 ASP A 6 6.426 -10.580 20.009 1.00 0.00 H ATOM 73 HB3 ASP A 6 7.807 -11.595 19.532 1.00 0.00 H ATOM 74 H ASP A 6 5.979 -12.993 17.744 1.00 0.00 H ATOM 75 N TRP A 7 7.566 -10.655 15.694 1.00 7.27 N ATOM 76 CA TRP A 7 8.507 -10.970 14.604 1.00 7.30 C ATOM 77 C TRP A 7 9.948 -10.668 14.911 1.00 7.15 C ATOM 78 O TRP A 7 10.834 -11.180 14.224 1.00 8.18 O ATOM 79 CB TRP A 7 7.988 -10.326 13.300 1.00 7.18 C ATOM 80 CG TRP A 7 6.840 -11.058 12.746 1.00 7.29 C ATOM 81 CD1 TRP A 7 5.487 -10.686 12.776 1.00 7.79 C ATOM 82 CD2 TRP A 7 6.870 -12.338 12.115 1.00 7.47 C ATOM 83 NE1 TRP A 7 4.734 -11.646 12.208 1.00 7.73 N ATOM 84 CE2 TRP A 7 5.534 -12.683 11.777 1.00 7.42 C ATOM 85 CE3 TRP A 7 7.881 -13.236 11.795 1.00 8.02 C ATOM 86 CZ2 TRP A 7 5.217 -13.881 11.140 1.00 8.17 C ATOM 87 CZ3 TRP A 7 7.555 -14.419 11.171 1.00 9.96 C ATOM 88 CH2 TRP A 7 6.259 -14.736 10.831 1.00 10.08 C ATOM 89 HA TRP A 7 8.528 -12.052 14.475 1.00 0.00 H ATOM 90 HB2 TRP A 7 7.684 -9.300 13.510 1.00 0.00 H ATOM 91 HB3 TRP A 7 8.792 -10.322 12.564 1.00 0.00 H ATOM 92 HE1 TRP A 7 3.699 -11.611 12.109 1.00 0.00 H ATOM 93 HD1 TRP A 7 5.103 -9.757 13.197 1.00 0.00 H ATOM 94 HZ2 TRP A 7 4.186 -14.135 10.894 1.00 0.00 H ATOM 95 HH2 TRP A 7 6.052 -15.672 10.312 1.00 0.00 H ATOM 96 HZ3 TRP A 7 8.349 -15.128 10.938 1.00 0.00 H ATOM 97 HE3 TRP A 7 8.919 -13.007 12.035 1.00 0.00 H ATOM 98 H TRP A 7 6.829 -9.936 15.551 1.00 0.00 H ATOM 99 N ARG A 8 10.216 -9.857 15.922 1.00 8.14 N ATOM 100 CA ARG A 8 11.596 -9.658 16.370 1.00 8.54 C ATOM 101 C ARG A 8 12.216 -10.977 16.853 1.00 9.75 C ATOM 102 O ARG A 8 13.450 -11.141 16.813 1.00 11.44 O ATOM 103 CB ARG A 8 11.704 -8.596 17.455 1.00 8.59 C ATOM 104 CG ARG A 8 11.270 -7.187 16.996 1.00 9.44 C ATOM 105 CD ARG A 8 11.193 -6.205 18.145 1.00 9.56 C ATOM 106 NE ARG A 8 10.201 -6.602 19.137 1.00 8.80 N ATOM 107 CZ ARG A 8 9.984 -5.931 20.269 1.00 9.76 C ATOM 108 NH1 ARG A 8 10.639 -4.813 20.519 1.00 12.01 N ATOM 109 NH2 ARG A 8 9.117 -6.391 21.125 1.00 9.66 N ATOM 110 HA ARG A 8 12.156 -9.302 15.505 1.00 0.00 H ATOM 111 HB2 ARG A 8 11.073 -8.894 18.292 1.00 0.00 H ATOM 112 HB3 ARG A 8 12.742 -8.546 17.784 1.00 0.00 H ATOM 113 HG2 ARG A 8 11.992 -6.818 16.267 1.00 0.00 H ATOM 114 HG3 ARG A 8 10.288 -7.258 16.529 1.00 0.00 H ATOM 115 HD2 ARG A 8 10.926 -5.224 17.753 1.00 0.00 H ATOM 116 HD3 ARG A 8 12.169 -6.149 18.626 1.00 0.00 H ATOM 117 HE ARG A 8 9.633 -7.453 18.952 1.00 0.00 H ATOM 118 HH12 ARG A 8 10.465 -4.295 21.404 1.00 0.00 H ATOM 119 HH11 ARG A 8 11.329 -4.450 19.831 1.00 0.00 H ATOM 120 HH22 ARG A 8 8.939 -5.877 22.011 1.00 0.00 H ATOM 121 HH21 ARG A 8 8.603 -7.272 20.922 1.00 0.00 H ATOM 122 H ARG A 8 9.441 -9.357 16.402 1.00 0.00 H ATOM 123 N ALA A 9 11.403 -11.939 17.295 1.00 8.92 N ATOM 124 CA ALA A 9 11.887 -13.255 17.761 1.00 9.40 C ATOM 125 C ALA A 9 12.555 -14.054 16.670 1.00 8.64 C ATOM 126 O ALA A 9 13.339 -14.957 16.964 1.00 10.57 O ATOM 127 CB ALA A 9 10.787 -14.058 18.353 1.00 10.98 C ATOM 128 HA ALA A 9 12.634 -13.040 18.525 1.00 0.00 H ATOM 129 HB1 ALA A 9 10.365 -13.523 19.204 1.00 0.00 H ATOM 130 HB2 ALA A 9 10.012 -14.219 17.603 1.00 0.00 H ATOM 131 HB3 ALA A 9 11.179 -15.019 18.685 1.00 0.00 H ATOM 132 H ALA A 9 10.380 -11.753 17.312 1.00 0.00 H ATOM 133 N ARG A 10 12.276 -13.722 15.408 1.00 8.66 N ATOM 134 CA ARG A 10 12.886 -14.371 14.249 1.00 9.01 C ATOM 135 C ARG A 10 14.060 -13.561 13.669 1.00 8.81 C ATOM 136 O ARG A 10 14.626 -13.995 12.643 1.00 10.52 O ATOM 137 CB ARG A 10 11.855 -14.632 13.148 1.00 9.89 C ATOM 138 CG ARG A 10 10.630 -15.343 13.592 1.00 10.12 C ATOM 139 CD ARG A 10 10.947 -16.767 14.167 1.00 11.72 C ATOM 140 NE ARG A 10 11.490 -17.665 13.183 1.00 11.31 N ATOM 141 CZ ARG A 10 11.946 -18.910 13.397 1.00 11.57 C ATOM 142 NH1 ARG A 10 12.093 -19.403 14.619 1.00 12.50 N ATOM 143 NH2 ARG A 10 12.362 -19.614 12.372 1.00 12.71 N ATOM 144 HA ARG A 10 13.277 -15.323 14.610 1.00 0.00 H ATOM 145 HB2 ARG A 10 11.556 -13.671 12.730 1.00 0.00 H ATOM 146 HB3 ARG A 10 12.332 -15.231 12.373 1.00 0.00 H ATOM 147 HG2 ARG A 10 10.142 -14.752 14.367 1.00 0.00 H ATOM 148 HG3 ARG A 10 9.958 -15.450 12.741 1.00 0.00 H ATOM 149 HD2 ARG A 10 10.025 -17.197 14.558 1.00 0.00 H ATOM 150 HD3 ARG A 10 11.669 -16.662 14.977 1.00 0.00 H ATOM 151 HE ARG A 10 11.534 -17.314 12.205 1.00 0.00 H ATOM 152 HH12 ARG A 10 12.449 -20.371 14.750 1.00 0.00 H ATOM 153 HH11 ARG A 10 11.853 -18.821 15.447 1.00 0.00 H ATOM 154 HH22 ARG A 10 12.719 -20.580 12.515 1.00 0.00 H ATOM 155 HH21 ARG A 10 12.335 -19.206 11.416 1.00 0.00 H ATOM 156 H ARG A 10 11.588 -12.961 15.240 1.00 0.00 H ATOM 157 N GLY A 11 14.396 -12.398 14.233 1.00 9.58 N ATOM 158 CA GLY A 11 15.349 -11.534 13.584 1.00 9.87 C ATOM 159 C GLY A 11 14.833 -10.904 12.291 1.00 9.75 C ATOM 160 O GLY A 11 15.619 -10.590 11.382 1.00 10.26 O ATOM 161 HA3 GLY A 11 16.239 -12.118 13.350 1.00 0.00 H ATOM 162 HA2 GLY A 11 15.613 -10.733 14.275 1.00 0.00 H ATOM 163 H GLY A 11 13.970 -12.116 15.139 1.00 0.00 H ATOM 164 N ALA A 12 13.505 -10.679 12.195 1.00 9.70 N ATOM 165 CA ALA A 12 12.870 -10.197 10.983 1.00 8.48 C ATOM 166 C ALA A 12 12.775 -8.699 10.862 1.00 8.68 C ATOM 167 O ALA A 12 12.276 -8.223 9.864 1.00 9.11 O ATOM 168 CB ALA A 12 11.442 -10.826 10.866 1.00 9.82 C ATOM 169 HA ALA A 12 13.517 -10.511 10.164 1.00 0.00 H ATOM 170 HB1 ALA A 12 11.527 -11.912 10.829 1.00 0.00 H ATOM 171 HB2 ALA A 12 10.847 -10.536 11.732 1.00 0.00 H ATOM 172 HB3 ALA A 12 10.961 -10.466 9.956 1.00 0.00 H ATOM 173 H ALA A 12 12.910 -10.860 13.029 1.00 0.00 H ATOM 174 N VAL A 13 13.229 -7.983 11.880 1.00 8.81 N ATOM 175 CA VAL A 13 13.008 -6.520 11.949 1.00 8.58 C ATOM 176 C VAL A 13 14.366 -5.801 12.111 1.00 9.98 C ATOM 177 O VAL A 13 15.196 -6.182 12.967 1.00 10.34 O ATOM 178 CB VAL A 13 12.067 -6.129 13.121 1.00 7.79 C ATOM 179 CG1 VAL A 13 11.709 -4.669 13.079 1.00 8.10 C ATOM 180 CG2 VAL A 13 10.853 -6.988 13.144 1.00 8.57 C ATOM 181 HA VAL A 13 12.526 -6.211 11.021 1.00 0.00 H ATOM 182 HB VAL A 13 12.610 -6.300 14.050 1.00 0.00 H ATOM 183 HG11 VAL A 13 12.618 -4.071 13.152 1.00 0.00 H ATOM 184 HG12 VAL A 13 11.201 -4.448 12.140 1.00 0.00 H ATOM 185 HG13 VAL A 13 11.050 -4.434 13.915 1.00 0.00 H ATOM 186 HG21 VAL A 13 10.309 -6.872 12.206 1.00 0.00 H ATOM 187 HG22 VAL A 13 11.149 -8.030 13.267 1.00 0.00 H ATOM 188 HG23 VAL A 13 10.214 -6.690 13.975 1.00 0.00 H ATOM 189 H VAL A 13 13.750 -8.457 12.645 1.00 0.00 H ATOM 190 N THR A 14 14.637 -4.786 11.288 1.00 9.46 N ATOM 191 CA THR A 14 15.873 -4.018 11.397 1.00 9.80 C ATOM 192 C THR A 14 15.862 -3.144 12.668 1.00 9.81 C ATOM 193 O THR A 14 14.792 -2.932 13.301 1.00 9.39 O ATOM 194 CB THR A 14 16.093 -3.129 10.155 1.00 9.86 C ATOM 195 OG1 THR A 14 15.066 -2.149 10.128 1.00 9.33 O ATOM 196 CG2 THR A 14 16.129 -3.979 8.877 1.00 10.15 C ATOM 197 HA THR A 14 16.695 -4.730 11.461 1.00 0.00 H ATOM 198 HB THR A 14 17.058 -2.625 10.208 1.00 0.00 H ATOM 199 HG1 THR A 14 14.185 -2.597 10.076 1.00 0.00 H ATOM 200 HG23 THR A 14 16.933 -4.712 8.952 1.00 0.00 H ATOM 201 HG21 THR A 14 15.176 -4.494 8.758 1.00 0.00 H ATOM 202 HG22 THR A 14 16.304 -3.333 8.017 1.00 0.00 H ATOM 203 H THR A 14 13.949 -4.536 10.549 1.00 0.00 H ATOM 204 N ALA A 15 17.000 -2.563 13.007 1.00 9.88 N ATOM 205 CA ALA A 15 17.081 -1.650 14.116 1.00 9.90 C ATOM 206 C ALA A 15 16.226 -0.399 13.924 1.00 9.95 C ATOM 207 O ALA A 15 15.883 -0.017 12.795 1.00 10.50 O ATOM 208 CB ALA A 15 18.574 -1.274 14.362 1.00 11.83 C ATOM 209 HA ALA A 15 16.676 -2.155 14.993 1.00 0.00 H ATOM 210 HB1 ALA A 15 19.142 -2.176 14.588 1.00 0.00 H ATOM 211 HB2 ALA A 15 18.980 -0.802 13.468 1.00 0.00 H ATOM 212 HB3 ALA A 15 18.640 -0.582 15.202 1.00 0.00 H ATOM 213 H ALA A 15 17.859 -2.771 12.458 1.00 0.00 H ATOM 214 N VAL A 16 15.871 0.216 15.048 1.00 10.15 N ATOM 215 CA VAL A 16 15.084 1.462 15.040 1.00 9.88 C ATOM 216 C VAL A 16 15.904 2.607 14.414 1.00 10.63 C ATOM 217 O VAL A 16 17.082 2.828 14.781 1.00 12.11 O ATOM 218 CB VAL A 16 14.618 1.819 16.471 1.00 9.66 C ATOM 219 CG1 VAL A 16 13.985 3.256 16.552 1.00 10.48 C ATOM 220 CG2 VAL A 16 13.705 0.691 16.982 1.00 9.65 C ATOM 221 HA VAL A 16 14.194 1.313 14.429 1.00 0.00 H ATOM 222 HB VAL A 16 15.476 1.881 17.140 1.00 0.00 H ATOM 223 HG11 VAL A 16 14.724 3.995 16.243 1.00 0.00 H ATOM 224 HG12 VAL A 16 13.119 3.308 15.892 1.00 0.00 H ATOM 225 HG13 VAL A 16 13.674 3.458 17.577 1.00 0.00 H ATOM 226 HG21 VAL A 16 12.843 0.596 16.322 1.00 0.00 H ATOM 227 HG22 VAL A 16 14.260 -0.247 16.994 1.00 0.00 H ATOM 228 HG23 VAL A 16 13.367 0.928 17.991 1.00 0.00 H ATOM 229 H VAL A 16 16.157 -0.194 15.960 1.00 0.00 H ATOM 230 N LYS A 17 15.252 3.376 13.555 1.00 9.74 N ATOM 231 CA LYS A 17 15.856 4.467 12.827 1.00 9.71 C ATOM 232 C LYS A 17 15.362 5.822 13.360 1.00 10.46 C ATOM 233 O LYS A 17 14.551 5.894 14.326 1.00 10.17 O ATOM 234 CB LYS A 17 15.519 4.310 11.321 1.00 10.70 C ATOM 235 CG LYS A 17 15.996 2.977 10.763 1.00 10.48 C ATOM 236 CD LYS A 17 15.912 2.947 9.220 1.00 12.12 C ATOM 237 CE LYS A 17 16.126 1.588 8.657 1.00 11.87 C ATOM 238 NZ LYS A 17 16.142 1.525 7.111 1.00 11.72 N ATOM 239 HA LYS A 17 16.937 4.439 12.963 1.00 0.00 H ATOM 240 HB2 LYS A 17 14.439 4.378 11.193 1.00 0.00 H ATOM 241 HB3 LYS A 17 16.001 5.116 10.767 1.00 0.00 H ATOM 242 HG2 LYS A 17 17.031 2.816 11.065 1.00 0.00 H ATOM 243 HG3 LYS A 17 15.373 2.180 11.168 1.00 0.00 H ATOM 244 HD2 LYS A 17 14.925 3.298 8.918 1.00 0.00 H ATOM 245 HD3 LYS A 17 16.673 3.615 8.817 1.00 0.00 H ATOM 246 HE2 LYS A 17 15.325 0.941 9.015 1.00 0.00 H ATOM 247 HE3 LYS A 17 17.083 1.215 9.022 1.00 0.00 H ATOM 248 HZ1 LYS A 17 15.231 1.864 6.742 1.00 0.00 H ATOM 249 HZ2 LYS A 17 16.910 2.126 6.749 1.00 0.00 H ATOM 250 HZ3 LYS A 17 16.296 0.543 6.807 1.00 0.00 H ATOM 251 H LYS A 17 14.243 3.182 13.395 1.00 0.00 H ATOM 252 N ASP A 18 15.829 6.903 12.727 1.00 11.27 N ATOM 253 CA ASP A 18 15.554 8.246 13.154 1.00 11.91 C ATOM 254 C ASP A 18 15.196 9.113 11.944 1.00 11.23 C ATOM 255 O ASP A 18 16.081 9.498 11.150 1.00 12.71 O ATOM 256 CB ASP A 18 16.805 8.818 13.832 1.00 13.84 C ATOM 257 CG ASP A 18 16.596 10.248 14.353 1.00 14.51 C ATOM 258 OD1 ASP A 18 17.602 10.867 14.770 1.00 19.60 O ATOM 259 OD2 ASP A 18 15.441 10.751 14.362 1.00 16.66 O ATOM 260 HA ASP A 18 14.717 8.242 13.852 1.00 0.00 H ATOM 261 HB2 ASP A 18 17.071 8.176 14.672 1.00 0.00 H ATOM 262 HB3 ASP A 18 17.621 8.826 13.109 1.00 0.00 H ATOM 263 H ASP A 18 16.421 6.764 11.883 1.00 0.00 H ATOM 264 N GLN A 19 13.934 9.497 11.814 1.00 10.48 N ATOM 265 CA GLN A 19 13.515 10.316 10.715 1.00 10.18 C ATOM 266 C GLN A 19 13.995 11.776 10.882 1.00 10.69 C ATOM 267 O GLN A 19 13.969 12.541 9.915 1.00 11.71 O ATOM 268 CB GLN A 19 11.983 10.286 10.540 1.00 10.61 C ATOM 269 CG GLN A 19 11.185 10.929 11.665 1.00 10.89 C ATOM 270 CD GLN A 19 9.703 10.756 11.444 1.00 10.07 C ATOM 271 OE1 GLN A 19 9.144 9.730 11.786 1.00 10.50 O ATOM 272 NE2 GLN A 19 9.070 11.752 10.802 1.00 11.01 N ATOM 273 HA GLN A 19 13.975 9.900 9.819 1.00 0.00 H ATOM 274 HB2 GLN A 19 11.740 10.807 9.614 1.00 0.00 H ATOM 275 HB3 GLN A 19 11.674 9.244 10.461 1.00 0.00 H ATOM 276 HG2 GLN A 19 11.462 10.462 12.610 1.00 0.00 H ATOM 277 HG3 GLN A 19 11.418 11.993 11.705 1.00 0.00 H ATOM 278 HE22 GLN A 19 9.592 12.610 10.530 1.00 0.00 H ATOM 279 HE21 GLN A 19 8.058 11.665 10.577 1.00 0.00 H ATOM 280 H GLN A 19 13.234 9.198 12.523 1.00 0.00 H ATOM 281 N GLY A 20 14.349 12.181 12.091 1.00 11.09 N ATOM 282 CA GLY A 20 14.749 13.569 12.295 1.00 11.73 C ATOM 283 C GLY A 20 13.620 14.553 12.152 1.00 12.90 C ATOM 284 O GLY A 20 12.469 14.269 12.456 1.00 13.37 O ATOM 285 HA3 GLY A 20 15.517 13.817 11.562 1.00 0.00 H ATOM 286 HA2 GLY A 20 15.163 13.664 13.299 1.00 0.00 H ATOM 287 H GLY A 20 14.342 11.515 12.890 1.00 0.00 H ATOM 288 N GLN A 21 13.948 15.734 11.622 1.00 13.14 N ATOM 289 CA GLN A 21 12.951 16.802 11.482 1.00 14.54 C ATOM 290 C GLN A 21 12.212 16.776 10.139 1.00 14.01 C ATOM 291 O GLN A 21 11.478 17.694 9.842 1.00 19.37 O ATOM 292 CB GLN A 21 13.595 18.188 11.740 1.00 16.37 C ATOM 293 CG GLN A 21 13.895 18.453 13.224 1.00 22.12 C ATOM 294 CD GLN A 21 12.746 18.117 14.200 1.00 26.15 C ATOM 295 OE1 GLN A 21 12.860 17.144 15.010 1.00 32.47 O ATOM 296 NE2 GLN A 21 11.636 18.873 14.124 1.00 28.49 N ATOM 297 HA GLN A 21 12.192 16.617 12.242 1.00 0.00 H ATOM 298 HB2 GLN A 21 14.530 18.244 11.182 1.00 0.00 H ATOM 299 HB3 GLN A 21 12.913 18.959 11.382 1.00 0.00 H ATOM 300 HG2 GLN A 21 14.762 17.854 13.505 1.00 0.00 H ATOM 301 HG3 GLN A 21 14.134 19.511 13.336 1.00 0.00 H ATOM 302 HE22 GLN A 21 11.588 19.660 13.445 1.00 0.00 H ATOM 303 HE21 GLN A 21 10.826 18.671 14.744 1.00 0.00 H ATOM 304 H GLN A 21 14.924 15.899 11.304 1.00 0.00 H ATOM 305 N CYS A 22 12.456 15.761 9.311 1.00 13.60 N ATOM 306 CA CYS A 22 11.760 15.537 8.049 1.00 11.99 C ATOM 307 C CYS A 22 10.399 14.849 8.287 1.00 10.32 C ATOM 308 O CYS A 22 10.318 13.898 9.103 1.00 11.43 O ATOM 309 CB CYS A 22 12.650 14.683 7.186 1.00 12.75 C ATOM 310 SG CYS A 22 12.060 14.273 5.549 1.00 12.96 S ATOM 311 HA CYS A 22 11.554 16.487 7.556 1.00 0.00 H ATOM 312 HB2 CYS A 22 12.820 13.746 7.717 1.00 0.00 H ATOM 313 HB3 CYS A 22 13.597 15.210 7.070 1.00 0.00 H ATOM 314 H CYS A 22 13.194 15.081 9.584 1.00 0.00 H ATOM 315 N GLY A 23 9.333 15.312 7.622 1.00 10.68 N ATOM 316 CA GLY A 23 8.035 14.621 7.659 1.00 10.38 C ATOM 317 C GLY A 23 7.998 13.374 6.757 1.00 9.13 C ATOM 318 O GLY A 23 7.195 13.278 5.837 1.00 10.04 O ATOM 319 HA3 GLY A 23 7.261 15.314 7.328 1.00 0.00 H ATOM 320 HA2 GLY A 23 7.832 14.315 8.685 1.00 0.00 H ATOM 321 H GLY A 23 9.425 16.185 7.064 1.00 0.00 H ATOM 322 N SER A 24 8.876 12.432 7.080 1.00 8.80 N ATOM 323 CA SER A 24 9.098 11.244 6.274 1.00 8.17 C ATOM 324 C SER A 24 8.615 9.973 6.938 1.00 6.45 C ATOM 325 O SER A 24 9.003 8.870 6.520 1.00 7.01 O ATOM 326 CB SER A 24 10.586 11.084 5.938 1.00 8.36 C ATOM 327 OG SER A 24 11.328 11.233 7.139 1.00 10.92 O ATOM 328 HA SER A 24 8.514 11.392 5.366 1.00 0.00 H ATOM 329 HB2 SER A 24 10.887 11.847 5.220 1.00 0.00 H ATOM 330 HB3 SER A 24 10.765 10.096 5.513 1.00 0.00 H ATOM 331 HG SER A 24 12.293 11.133 6.944 1.00 0.00 H ATOM 332 H SER A 24 9.431 12.550 7.951 1.00 0.00 H ATOM 333 N CYS A 25 7.722 10.077 7.945 1.00 7.46 N ATOM 334 CA CYS A 25 7.263 8.850 8.615 1.00 6.03 C ATOM 335 C CYS A 25 6.710 7.829 7.614 1.00 5.86 C ATOM 336 O CYS A 25 6.863 6.625 7.794 1.00 6.15 O ATOM 337 CB CYS A 25 6.225 9.154 9.682 1.00 7.57 C ATOM 338 SG CYS A 25 4.685 9.904 9.031 1.00 7.82 S ATOM 339 HA CYS A 25 8.136 8.411 9.099 1.00 0.00 H ATOM 340 HB2 CYS A 25 6.665 9.844 10.402 1.00 0.00 H ATOM 341 HB3 CYS A 25 5.967 8.222 10.185 1.00 0.00 H ATOM 342 HG CYS A 25 4.985 11.095 8.403 1.00 0.00 H ATOM 343 H CYS A 25 7.365 11.008 8.242 1.00 0.00 H ATOM 344 N TRP A 26 5.988 8.290 6.587 1.00 6.06 N ATOM 345 CA TRP A 26 5.395 7.450 5.547 1.00 5.42 C ATOM 346 C TRP A 26 6.460 6.540 4.900 1.00 5.30 C ATOM 347 O TRP A 26 6.179 5.401 4.561 1.00 5.56 O ATOM 348 CB TRP A 26 4.696 8.354 4.508 1.00 5.70 C ATOM 349 CG TRP A 26 5.608 9.318 3.821 1.00 5.77 C ATOM 350 CD1 TRP A 26 6.000 10.551 4.279 1.00 6.95 C ATOM 351 CD2 TRP A 26 6.299 9.128 2.576 1.00 5.92 C ATOM 352 NE1 TRP A 26 6.898 11.120 3.407 1.00 6.62 N ATOM 353 CE2 TRP A 26 7.067 10.276 2.344 1.00 6.15 C ATOM 354 CE3 TRP A 26 6.328 8.105 1.629 1.00 5.41 C ATOM 355 CZ2 TRP A 26 7.896 10.419 1.228 1.00 6.87 C ATOM 356 CZ3 TRP A 26 7.123 8.255 0.499 1.00 6.22 C ATOM 357 CH2 TRP A 26 7.898 9.413 0.307 1.00 7.18 C ATOM 358 HA TRP A 26 4.649 6.789 5.989 1.00 0.00 H ATOM 359 HB2 TRP A 26 4.240 7.716 3.751 1.00 0.00 H ATOM 360 HB3 TRP A 26 3.918 8.923 5.018 1.00 0.00 H ATOM 361 HE1 TRP A 26 7.370 12.038 3.534 1.00 0.00 H ATOM 362 HD1 TRP A 26 5.650 11.013 5.202 1.00 0.00 H ATOM 363 HZ2 TRP A 26 8.519 11.304 1.098 1.00 0.00 H ATOM 364 HH2 TRP A 26 8.509 9.508 -0.591 1.00 0.00 H ATOM 365 HZ3 TRP A 26 7.146 7.463 -0.250 1.00 0.00 H ATOM 366 HE3 TRP A 26 5.736 7.201 1.773 1.00 0.00 H ATOM 367 H TRP A 26 5.838 9.317 6.524 1.00 0.00 H ATOM 368 N ALA A 27 7.669 7.102 4.711 1.00 5.50 N ATOM 369 CA ALA A 27 8.746 6.370 4.083 1.00 5.55 C ATOM 370 C ALA A 27 9.331 5.317 5.044 1.00 5.46 C ATOM 371 O ALA A 27 9.649 4.196 4.627 1.00 6.24 O ATOM 372 CB ALA A 27 9.828 7.306 3.581 1.00 7.01 C ATOM 373 HA ALA A 27 8.333 5.847 3.220 1.00 0.00 H ATOM 374 HB1 ALA A 27 9.402 7.993 2.850 1.00 0.00 H ATOM 375 HB2 ALA A 27 10.235 7.872 4.419 1.00 0.00 H ATOM 376 HB3 ALA A 27 10.623 6.724 3.114 1.00 0.00 H ATOM 377 H ALA A 27 7.831 8.081 5.023 1.00 0.00 H ATOM 378 N PHE A 28 9.511 5.678 6.315 1.00 6.46 N ATOM 379 CA PHE A 28 9.978 4.731 7.321 1.00 6.48 C ATOM 380 C PHE A 28 8.983 3.590 7.500 1.00 5.87 C ATOM 381 O PHE A 28 9.394 2.406 7.620 1.00 6.53 O ATOM 382 CB PHE A 28 10.317 5.409 8.653 1.00 7.50 C ATOM 383 CG PHE A 28 11.594 6.213 8.568 1.00 7.35 C ATOM 384 CD1 PHE A 28 11.623 7.504 8.069 1.00 8.99 C ATOM 385 CD2 PHE A 28 12.814 5.640 8.939 1.00 8.74 C ATOM 386 CE1 PHE A 28 12.822 8.194 7.886 1.00 10.43 C ATOM 387 CE2 PHE A 28 14.013 6.345 8.766 1.00 9.12 C ATOM 388 CZ PHE A 28 13.990 7.637 8.250 1.00 10.18 C ATOM 389 HA PHE A 28 10.911 4.305 6.953 1.00 0.00 H ATOM 390 HB2 PHE A 28 9.499 6.075 8.928 1.00 0.00 H ATOM 391 HB3 PHE A 28 10.433 4.643 9.419 1.00 0.00 H ATOM 392 HD2 PHE A 28 12.833 4.637 9.366 1.00 0.00 H ATOM 393 HE2 PHE A 28 14.962 5.882 9.035 1.00 0.00 H ATOM 394 HZ PHE A 28 14.919 8.197 8.141 1.00 0.00 H ATOM 395 HE1 PHE A 28 12.811 9.191 7.445 1.00 0.00 H ATOM 396 HD1 PHE A 28 10.684 7.995 7.812 1.00 0.00 H ATOM 397 H PHE A 28 9.313 6.660 6.596 1.00 0.00 H ATOM 398 N SER A 29 7.681 3.893 7.523 1.00 5.36 N ATOM 399 CA SER A 29 6.665 2.861 7.650 1.00 4.79 C ATOM 400 C SER A 29 6.736 1.894 6.453 1.00 5.27 C ATOM 401 O SER A 29 6.749 0.666 6.603 1.00 5.35 O ATOM 402 CB SER A 29 5.297 3.573 7.742 1.00 4.73 C ATOM 403 OG SER A 29 4.225 2.626 7.776 1.00 4.94 O ATOM 404 HA SER A 29 6.821 2.258 8.544 1.00 0.00 H ATOM 405 HB2 SER A 29 5.173 4.220 6.874 1.00 0.00 H ATOM 406 HB3 SER A 29 5.269 4.175 8.650 1.00 0.00 H ATOM 407 HG SER A 29 4.330 2.038 8.566 1.00 0.00 H ATOM 408 H SER A 29 7.389 4.888 7.448 1.00 0.00 H ATOM 409 N ALA A 30 6.750 2.425 5.210 1.00 5.18 N ATOM 410 CA ALA A 30 6.780 1.612 4.020 1.00 5.30 C ATOM 411 C ALA A 30 8.080 0.784 3.924 1.00 5.55 C ATOM 412 O ALA A 30 8.030 -0.437 3.672 1.00 5.62 O ATOM 413 CB ALA A 30 6.619 2.487 2.760 1.00 5.86 C ATOM 414 HA ALA A 30 5.943 0.917 4.083 1.00 0.00 H ATOM 415 HB1 ALA A 30 5.666 3.014 2.804 1.00 0.00 H ATOM 416 HB2 ALA A 30 7.433 3.210 2.715 1.00 0.00 H ATOM 417 HB3 ALA A 30 6.644 1.853 1.873 1.00 0.00 H ATOM 418 H ALA A 30 6.739 3.460 5.108 1.00 0.00 H ATOM 419 N ILE A 31 9.233 1.424 4.135 1.00 5.54 N ATOM 420 CA ILE A 31 10.511 0.713 4.034 1.00 5.85 C ATOM 421 C ILE A 31 10.657 -0.351 5.121 1.00 6.20 C ATOM 422 O ILE A 31 11.126 -1.456 4.854 1.00 6.84 O ATOM 423 CB ILE A 31 11.706 1.688 4.000 1.00 6.92 C ATOM 424 CG1 ILE A 31 11.691 2.521 2.692 1.00 7.40 C ATOM 425 CG2 ILE A 31 12.993 0.956 4.177 1.00 8.68 C ATOM 426 CD1 ILE A 31 12.001 1.703 1.430 1.00 10.64 C ATOM 427 HA ILE A 31 10.513 0.184 3.081 1.00 0.00 H ATOM 428 HB ILE A 31 11.612 2.383 4.834 1.00 0.00 H ATOM 429 HG12 ILE A 31 10.702 2.965 2.579 1.00 0.00 H ATOM 430 HG13 ILE A 31 12.436 3.312 2.780 1.00 0.00 H ATOM 431 HD11 ILE A 31 12.993 1.260 1.520 1.00 0.00 H ATOM 432 HD12 ILE A 31 11.258 0.913 1.319 1.00 0.00 H ATOM 433 HD13 ILE A 31 11.971 2.357 0.558 1.00 0.00 H ATOM 434 HG21 ILE A 31 12.987 0.440 5.137 1.00 0.00 H ATOM 435 HG22 ILE A 31 13.109 0.229 3.373 1.00 0.00 H ATOM 436 HG23 ILE A 31 13.820 1.666 4.149 1.00 0.00 H ATOM 437 H ILE A 31 9.224 2.436 4.373 1.00 0.00 H ATOM 438 N GLY A 32 10.238 -0.039 6.372 1.00 6.26 N ATOM 439 CA GLY A 32 10.311 -1.048 7.416 1.00 6.09 C ATOM 440 C GLY A 32 9.509 -2.271 7.046 1.00 6.00 C ATOM 441 O GLY A 32 9.931 -3.410 7.250 1.00 6.87 O ATOM 442 HA3 GLY A 32 9.917 -0.631 8.343 1.00 0.00 H ATOM 443 HA2 GLY A 32 11.352 -1.335 7.562 1.00 0.00 H ATOM 444 H GLY A 32 9.869 0.910 6.582 1.00 0.00 H ATOM 445 N ASN A 33 8.327 -2.071 6.484 1.00 5.66 N ATOM 446 CA ASN A 33 7.507 -3.179 6.013 1.00 5.34 C ATOM 447 C ASN A 33 8.211 -3.967 4.897 1.00 5.60 C ATOM 448 O ASN A 33 8.277 -5.194 4.939 1.00 6.56 O ATOM 449 CB ASN A 33 6.117 -2.688 5.535 1.00 5.35 C ATOM 450 CG ASN A 33 5.371 -3.736 4.738 1.00 4.89 C ATOM 451 OD1 ASN A 33 5.407 -3.675 3.514 1.00 5.96 O ATOM 452 ND2 ASN A 33 4.685 -4.675 5.409 1.00 5.91 N ATOM 453 HA ASN A 33 7.359 -3.851 6.859 1.00 0.00 H ATOM 454 HB2 ASN A 33 5.521 -2.423 6.408 1.00 0.00 H ATOM 455 HB3 ASN A 33 6.254 -1.806 4.910 1.00 0.00 H ATOM 456 HD22 ASN A 33 4.690 -4.679 6.449 1.00 0.00 H ATOM 457 HD21 ASN A 33 4.149 -5.399 4.889 1.00 0.00 H ATOM 458 H ASN A 33 7.975 -1.098 6.376 1.00 0.00 H ATOM 459 N VAL A 34 8.836 -3.272 3.927 1.00 5.98 N ATOM 460 CA VAL A 34 9.521 -3.989 2.838 1.00 6.76 C ATOM 461 C VAL A 34 10.689 -4.797 3.417 1.00 6.41 C ATOM 462 O VAL A 34 10.920 -5.960 3.031 1.00 7.57 O ATOM 463 CB VAL A 34 10.007 -3.033 1.739 1.00 6.73 C ATOM 464 CG1 VAL A 34 10.843 -3.866 0.687 1.00 8.38 C ATOM 465 CG2 VAL A 34 8.844 -2.330 1.045 1.00 7.17 C ATOM 466 HA VAL A 34 8.807 -4.667 2.371 1.00 0.00 H ATOM 467 HB VAL A 34 10.625 -2.259 2.194 1.00 0.00 H ATOM 468 HG11 VAL A 34 11.696 -4.327 1.185 1.00 0.00 H ATOM 469 HG12 VAL A 34 10.211 -4.642 0.255 1.00 0.00 H ATOM 470 HG13 VAL A 34 11.197 -3.202 -0.102 1.00 0.00 H ATOM 471 HG21 VAL A 34 8.192 -3.074 0.588 1.00 0.00 H ATOM 472 HG22 VAL A 34 8.281 -1.752 1.778 1.00 0.00 H ATOM 473 HG23 VAL A 34 9.232 -1.663 0.275 1.00 0.00 H ATOM 474 H VAL A 34 8.835 -2.232 3.947 1.00 0.00 H ATOM 475 N GLU A 35 11.437 -4.204 4.342 1.00 6.83 N ATOM 476 CA GLU A 35 12.575 -4.899 4.960 1.00 7.88 C ATOM 477 C GLU A 35 12.152 -6.214 5.554 1.00 7.24 C ATOM 478 O GLU A 35 12.808 -7.262 5.367 1.00 8.89 O ATOM 479 CB GLU A 35 13.242 -4.034 6.052 1.00 8.74 C ATOM 480 CG GLU A 35 14.026 -2.799 5.547 1.00 8.21 C ATOM 481 CD GLU A 35 14.440 -1.822 6.610 1.00 8.71 C ATOM 482 OE1 GLU A 35 13.814 -1.812 7.724 1.00 9.65 O ATOM 483 OE2 GLU A 35 15.357 -1.038 6.335 1.00 10.39 O ATOM 484 HA GLU A 35 13.300 -5.083 4.167 1.00 0.00 H ATOM 485 HB2 GLU A 35 12.460 -3.682 6.724 1.00 0.00 H ATOM 486 HB3 GLU A 35 13.936 -4.668 6.604 1.00 0.00 H ATOM 487 HG2 GLU A 35 14.927 -3.154 5.046 1.00 0.00 H ATOM 488 HG3 GLU A 35 13.397 -2.271 4.830 1.00 0.00 H ATOM 489 H GLU A 35 11.213 -3.231 4.634 1.00 0.00 H ATOM 490 N CYS A 36 11.055 -6.210 6.317 1.00 7.54 N ATOM 491 CA CYS A 36 10.560 -7.421 6.971 1.00 7.60 C ATOM 492 C CYS A 36 10.021 -8.426 5.962 1.00 7.58 C ATOM 493 O CYS A 36 10.277 -9.625 6.070 1.00 8.91 O ATOM 494 CB CYS A 36 9.456 -7.064 7.964 1.00 7.36 C ATOM 495 SG CYS A 36 10.004 -5.961 9.308 1.00 7.38 S ATOM 496 HA CYS A 36 11.400 -7.878 7.494 1.00 0.00 H ATOM 497 HB2 CYS A 36 9.081 -7.986 8.407 1.00 0.00 H ATOM 498 HB3 CYS A 36 8.651 -6.570 7.420 1.00 0.00 H ATOM 499 HG CYS A 36 10.470 -4.779 8.770 1.00 0.00 H ATOM 500 H CYS A 36 10.537 -5.318 6.450 1.00 0.00 H ATOM 501 N GLN A 37 9.263 -7.951 4.993 1.00 7.58 N ATOM 502 CA GLN A 37 8.692 -8.848 3.954 1.00 8.00 C ATOM 503 C GLN A 37 9.803 -9.505 3.124 1.00 8.41 C ATOM 504 O GLN A 37 9.701 -10.675 2.746 1.00 9.92 O ATOM 505 CB GLN A 37 7.692 -8.128 3.036 1.00 7.91 C ATOM 506 CG GLN A 37 6.432 -7.650 3.791 1.00 7.92 C ATOM 507 CD GLN A 37 5.682 -8.806 4.405 1.00 9.32 C ATOM 508 OE1 GLN A 37 5.577 -9.851 3.772 1.00 11.99 O ATOM 509 NE2 GLN A 37 5.134 -8.648 5.623 1.00 9.14 N ATOM 510 HA GLN A 37 8.140 -9.625 4.484 1.00 0.00 H ATOM 511 HB2 GLN A 37 8.184 -7.262 2.594 1.00 0.00 H ATOM 512 HB3 GLN A 37 7.387 -8.814 2.246 1.00 0.00 H ATOM 513 HG2 GLN A 37 6.732 -6.963 4.582 1.00 0.00 H ATOM 514 HG3 GLN A 37 5.775 -7.133 3.092 1.00 0.00 H ATOM 515 HE22 GLN A 37 5.244 -7.747 6.130 1.00 0.00 H ATOM 516 HE21 GLN A 37 4.600 -9.427 6.058 1.00 0.00 H ATOM 517 H GLN A 37 9.061 -6.931 4.955 1.00 0.00 H ATOM 518 N TRP A 38 10.872 -8.754 2.828 1.00 8.63 N ATOM 519 CA TRP A 38 12.009 -9.288 2.088 1.00 9.63 C ATOM 520 C TRP A 38 12.676 -10.437 2.858 1.00 10.89 C ATOM 521 O TRP A 38 12.931 -11.544 2.336 1.00 12.41 O ATOM 522 CB TRP A 38 13.004 -8.148 1.806 1.00 10.34 C ATOM 523 CG TRP A 38 14.193 -8.567 1.017 1.00 12.25 C ATOM 524 CD1 TRP A 38 15.484 -8.647 1.473 1.00 14.12 C ATOM 525 CD2 TRP A 38 14.212 -9.009 -0.355 1.00 13.46 C ATOM 526 NE1 TRP A 38 16.313 -9.086 0.441 1.00 15.32 N ATOM 527 CE2 TRP A 38 15.549 -9.312 -0.672 1.00 15.77 C ATOM 528 CE3 TRP A 38 13.239 -9.182 -1.336 1.00 13.43 C ATOM 529 CZ2 TRP A 38 15.932 -9.792 -1.928 1.00 15.71 C ATOM 530 CZ3 TRP A 38 13.647 -9.596 -2.594 1.00 14.23 C ATOM 531 CH2 TRP A 38 14.957 -9.950 -2.855 1.00 15.14 C ATOM 532 HA TRP A 38 11.663 -9.700 1.140 1.00 0.00 H ATOM 533 HB2 TRP A 38 12.483 -7.366 1.253 1.00 0.00 H ATOM 534 HB3 TRP A 38 13.348 -7.749 2.760 1.00 0.00 H ATOM 535 HE1 TRP A 38 17.342 -9.220 0.506 1.00 0.00 H ATOM 536 HD1 TRP A 38 15.811 -8.405 2.484 1.00 0.00 H ATOM 537 HZ2 TRP A 38 16.972 -10.029 -2.152 1.00 0.00 H ATOM 538 HH2 TRP A 38 15.212 -10.366 -3.830 1.00 0.00 H ATOM 539 HZ3 TRP A 38 12.914 -9.644 -3.400 1.00 0.00 H ATOM 540 HE3 TRP A 38 12.187 -8.997 -1.121 1.00 0.00 H ATOM 541 H TRP A 38 10.891 -7.761 3.135 1.00 0.00 H ATOM 542 N PHE A 39 12.956 -10.196 4.138 1.00 11.06 N ATOM 543 CA PHE A 39 13.490 -11.269 4.982 1.00 12.13 C ATOM 544 C PHE A 39 12.583 -12.513 5.007 1.00 12.01 C ATOM 545 O PHE A 39 13.047 -13.671 4.860 1.00 13.60 O ATOM 546 CB PHE A 39 13.693 -10.749 6.429 1.00 11.08 C ATOM 547 CG PHE A 39 14.018 -11.832 7.418 1.00 11.30 C ATOM 548 CD1 PHE A 39 13.038 -12.395 8.217 1.00 10.41 C ATOM 549 CD2 PHE A 39 15.313 -12.370 7.507 1.00 13.74 C ATOM 550 CE1 PHE A 39 13.373 -13.397 9.142 1.00 10.04 C ATOM 551 CE2 PHE A 39 15.618 -13.425 8.379 1.00 13.76 C ATOM 552 CZ PHE A 39 14.635 -13.893 9.228 1.00 12.08 C ATOM 553 HA PHE A 39 14.444 -11.570 4.549 1.00 0.00 H ATOM 554 HB2 PHE A 39 14.511 -10.029 6.425 1.00 0.00 H ATOM 555 HB3 PHE A 39 12.776 -10.254 6.749 1.00 0.00 H ATOM 556 HD2 PHE A 39 16.103 -11.956 6.881 1.00 0.00 H ATOM 557 HE2 PHE A 39 16.614 -13.868 8.386 1.00 0.00 H ATOM 558 HZ PHE A 39 14.871 -14.659 9.966 1.00 0.00 H ATOM 559 HE1 PHE A 39 12.602 -13.786 9.807 1.00 0.00 H ATOM 560 HD1 PHE A 39 12.005 -12.060 8.128 1.00 0.00 H ATOM 561 H PHE A 39 12.796 -9.249 4.537 1.00 0.00 H ATOM 562 N LEU A 40 11.275 -12.319 5.199 1.00 10.67 N ATOM 563 CA LEU A 40 10.348 -13.418 5.370 1.00 10.94 C ATOM 564 C LEU A 40 10.126 -14.194 4.084 1.00 12.63 C ATOM 565 O LEU A 40 9.611 -15.329 4.137 1.00 14.50 O ATOM 566 CB LEU A 40 9.025 -12.936 5.955 1.00 10.44 C ATOM 567 CG LEU A 40 9.128 -12.488 7.407 1.00 9.02 C ATOM 568 CD1 LEU A 40 7.817 -11.852 7.867 1.00 9.45 C ATOM 569 CD2 LEU A 40 9.548 -13.621 8.339 1.00 10.76 C ATOM 570 HA LEU A 40 10.805 -14.107 6.080 1.00 0.00 H ATOM 571 HB2 LEU A 40 8.670 -12.095 5.359 1.00 0.00 H ATOM 572 HB3 LEU A 40 8.304 -13.751 5.896 1.00 0.00 H ATOM 573 HG LEU A 40 9.916 -11.736 7.457 1.00 0.00 H ATOM 574 HD21 LEU A 40 8.813 -14.425 8.286 1.00 0.00 H ATOM 575 HD22 LEU A 40 10.524 -13.998 8.033 1.00 0.00 H ATOM 576 HD23 LEU A 40 9.606 -13.247 9.361 1.00 0.00 H ATOM 577 HD11 LEU A 40 7.597 -10.985 7.244 1.00 0.00 H ATOM 578 HD12 LEU A 40 7.011 -12.580 7.777 1.00 0.00 H ATOM 579 HD13 LEU A 40 7.912 -11.539 8.907 1.00 0.00 H ATOM 580 H LEU A 40 10.910 -11.345 5.227 1.00 0.00 H ATOM 581 N ALA A 41 10.393 -13.680 2.883 1.00 12.09 N ATOM 582 CA ALA A 41 10.218 -14.492 1.661 1.00 12.72 C ATOM 583 C ALA A 41 11.340 -15.537 1.472 1.00 10.73 C ATOM 584 O ALA A 41 11.408 -16.210 0.467 1.00 13.35 O ATOM 585 CB ALA A 41 10.117 -13.562 0.449 1.00 11.92 C ATOM 586 HA ALA A 41 9.295 -15.062 1.764 1.00 0.00 H ATOM 587 HB1 ALA A 41 9.262 -12.897 0.573 1.00 0.00 H ATOM 588 HB2 ALA A 41 11.030 -12.971 0.369 1.00 0.00 H ATOM 589 HB3 ALA A 41 9.988 -14.158 -0.455 1.00 0.00 H ATOM 590 H ALA A 41 10.728 -12.698 2.806 1.00 0.00 H ATOM 591 N GLY A 42 12.192 -15.662 2.478 1.00 9.78 N ATOM 592 CA GLY A 42 13.298 -16.579 2.431 1.00 9.17 C ATOM 593 C GLY A 42 14.575 -15.934 1.904 1.00 8.92 C ATOM 594 O GLY A 42 15.348 -16.608 1.242 1.00 12.04 O ATOM 595 HA3 GLY A 42 13.033 -17.412 1.780 1.00 0.00 H ATOM 596 HA2 GLY A 42 13.485 -16.952 3.438 1.00 0.00 H ATOM 597 H GLY A 42 12.057 -15.079 3.328 1.00 0.00 H ATOM 598 N HIS A 43 14.808 -14.659 2.191 1.00 8.40 N ATOM 599 CA HIS A 43 16.022 -13.965 1.832 1.00 7.77 C ATOM 600 C HIS A 43 16.668 -13.398 3.055 1.00 7.80 C ATOM 601 O HIS A 43 16.021 -13.161 4.057 1.00 6.17 O ATOM 602 CB HIS A 43 15.750 -12.794 0.871 1.00 8.44 C ATOM 603 CG HIS A 43 14.915 -13.164 -0.317 1.00 9.70 C ATOM 604 ND1 HIS A 43 15.371 -13.987 -1.321 1.00 9.16 N ATOM 605 CD2 HIS A 43 13.650 -12.838 -0.647 1.00 8.36 C ATOM 606 CE1 HIS A 43 14.437 -14.124 -2.234 1.00 9.79 C ATOM 607 NE2 HIS A 43 13.376 -13.437 -1.841 1.00 8.06 N ATOM 608 HA HIS A 43 16.669 -14.694 1.343 1.00 0.00 H ATOM 609 HB2 HIS A 43 15.233 -12.010 1.423 1.00 0.00 H ATOM 610 HB3 HIS A 43 16.707 -12.414 0.513 1.00 0.00 H ATOM 611 HD2 HIS A 43 12.972 -12.212 -0.067 1.00 0.00 H ATOM 612 HE1 HIS A 43 14.521 -14.702 -3.154 1.00 0.00 H ATOM 613 H HIS A 43 14.074 -14.130 2.704 1.00 0.00 H ATOM 614 N PRO A 44 17.966 -13.100 2.978 1.00 8.01 N ATOM 615 CA PRO A 44 18.627 -12.390 4.125 1.00 7.68 C ATOM 616 C PRO A 44 18.011 -10.966 4.593 1.00 9.62 C ATOM 617 O PRO A 44 17.654 -10.243 3.618 1.00 6.88 O ATOM 618 CB PRO A 44 20.055 -12.209 3.576 1.00 7.80 C ATOM 619 CG PRO A 44 20.219 -13.368 2.622 1.00 9.66 C ATOM 620 CD PRO A 44 18.937 -13.400 1.901 1.00 9.18 C ATOM 621 HA PRO A 44 18.509 -12.968 5.042 1.00 0.00 H ATOM 622 HD3 PRO A 44 18.905 -12.643 1.117 1.00 0.00 H ATOM 623 HD2 PRO A 44 18.753 -14.382 1.464 1.00 0.00 H ATOM 624 HG3 PRO A 44 20.386 -14.299 3.164 1.00 0.00 H ATOM 625 HG2 PRO A 44 21.048 -13.195 1.936 1.00 0.00 H ATOM 626 HB2 PRO A 44 20.154 -11.258 3.053 1.00 0.00 H ATOM 627 HB3 PRO A 44 20.790 -12.259 4.379 1.00 0.00 H ATOM 628 N LEU A 45 18.033 -10.528 5.955 1.00 13.09 N ATOM 629 CA LEU A 45 17.568 -9.221 6.489 1.00 14.06 C ATOM 630 C LEU A 45 18.556 -8.041 6.132 1.00 15.15 C ATOM 631 O LEU A 45 19.774 -8.062 6.452 1.00 17.54 O ATOM 632 CB LEU A 45 17.369 -9.286 7.999 1.00 14.96 C ATOM 633 CG LEU A 45 16.810 -7.972 8.580 1.00 14.78 C ATOM 634 CD1 LEU A 45 15.350 -7.812 8.228 1.00 15.16 C ATOM 635 CD2 LEU A 45 16.988 -7.872 10.134 1.00 15.84 C ATOM 636 HA LEU A 45 16.612 -9.014 6.009 1.00 0.00 H ATOM 637 HB2 LEU A 45 16.672 -10.093 8.225 1.00 0.00 H ATOM 638 HB3 LEU A 45 18.330 -9.495 8.469 1.00 0.00 H ATOM 639 HG LEU A 45 17.389 -7.166 8.129 1.00 0.00 H ATOM 640 HD21 LEU A 45 16.463 -8.699 10.613 1.00 0.00 H ATOM 641 HD22 LEU A 45 18.048 -7.922 10.381 1.00 0.00 H ATOM 642 HD23 LEU A 45 16.576 -6.926 10.486 1.00 0.00 H ATOM 643 HD11 LEU A 45 15.239 -7.794 7.144 1.00 0.00 H ATOM 644 HD12 LEU A 45 14.785 -8.649 8.639 1.00 0.00 H ATOM 645 HD13 LEU A 45 14.977 -6.878 8.648 1.00 0.00 H ATOM 646 H LEU A 45 18.418 -11.200 6.650 1.00 0.00 H ATOM 647 N THR A 46 18.028 -7.054 5.428 1.00 14.49 N ATOM 648 CA THR A 46 18.812 -6.022 4.776 1.00 14.89 C ATOM 649 C THR A 46 18.193 -4.664 5.125 1.00 14.47 C ATOM 650 O THR A 46 16.952 -4.445 4.936 1.00 14.48 O ATOM 651 CB THR A 46 18.798 -6.259 3.248 1.00 15.40 C ATOM 652 OG1 THR A 46 19.265 -7.592 2.950 1.00 17.59 O ATOM 653 CG2 THR A 46 19.666 -5.230 2.485 1.00 17.89 C ATOM 654 HA THR A 46 19.848 -6.045 5.114 1.00 0.00 H ATOM 655 HB THR A 46 17.767 -6.138 2.915 1.00 0.00 H ATOM 656 HG1 THR A 46 20.189 -7.700 3.288 1.00 0.00 H ATOM 657 HG23 THR A 46 19.314 -4.223 2.709 1.00 0.00 H ATOM 658 HG21 THR A 46 20.706 -5.331 2.797 1.00 0.00 H ATOM 659 HG22 THR A 46 19.587 -5.414 1.413 1.00 0.00 H ATOM 660 H THR A 46 16.993 -7.015 5.337 1.00 0.00 H ATOM 661 N ASN A 47 18.990 -3.714 5.550 1.00 14.24 N ATOM 662 CA ASN A 47 18.562 -2.342 5.703 1.00 13.76 C ATOM 663 C ASN A 47 18.344 -1.651 4.362 1.00 12.84 C ATOM 664 O ASN A 47 19.280 -1.610 3.534 1.00 14.49 O ATOM 665 CB ASN A 47 19.540 -1.529 6.536 1.00 15.51 C ATOM 666 CG ASN A 47 19.308 -1.756 8.026 1.00 18.44 C ATOM 667 OD1 ASN A 47 18.942 -0.856 8.716 1.00 23.60 O ATOM 668 ND2 ASN A 47 19.303 -2.998 8.441 1.00 18.68 N ATOM 669 HA ASN A 47 17.608 -2.389 6.228 1.00 0.00 H ATOM 670 HB2 ASN A 47 20.558 -1.827 6.284 1.00 0.00 H ATOM 671 HB3 ASN A 47 19.407 -0.471 6.311 1.00 0.00 H ATOM 672 HD22 ASN A 47 19.630 -3.758 7.811 1.00 0.00 H ATOM 673 HD21 ASN A 47 18.972 -3.224 9.401 1.00 0.00 H ATOM 674 H ASN A 47 19.973 -3.958 5.787 1.00 0.00 H ATOM 675 N LEU A 48 17.178 -1.043 4.160 1.00 10.77 N ATOM 676 CA LEU A 48 16.780 -0.442 2.904 1.00 9.41 C ATOM 677 C LEU A 48 16.584 1.066 3.059 1.00 9.42 C ATOM 678 O LEU A 48 16.577 1.591 4.187 1.00 10.64 O ATOM 679 CB LEU A 48 15.508 -1.150 2.359 1.00 9.12 C ATOM 680 CG LEU A 48 15.677 -2.672 2.115 1.00 9.95 C ATOM 681 CD1 LEU A 48 14.336 -3.319 1.796 1.00 9.42 C ATOM 682 CD2 LEU A 48 16.732 -3.091 1.036 1.00 12.35 C ATOM 683 HA LEU A 48 17.576 -0.579 2.172 1.00 0.00 H ATOM 684 HB2 LEU A 48 14.703 -1.007 3.080 1.00 0.00 H ATOM 685 HB3 LEU A 48 15.235 -0.681 1.414 1.00 0.00 H ATOM 686 HG LEU A 48 16.079 -3.040 3.059 1.00 0.00 H ATOM 687 HD21 LEU A 48 16.455 -2.662 0.073 1.00 0.00 H ATOM 688 HD22 LEU A 48 17.715 -2.724 1.329 1.00 0.00 H ATOM 689 HD23 LEU A 48 16.757 -4.178 0.957 1.00 0.00 H ATOM 690 HD11 LEU A 48 13.654 -3.170 2.633 1.00 0.00 H ATOM 691 HD12 LEU A 48 13.918 -2.862 0.899 1.00 0.00 H ATOM 692 HD13 LEU A 48 14.480 -4.386 1.629 1.00 0.00 H ATOM 693 H LEU A 48 16.509 -0.996 4.955 1.00 0.00 H ATOM 694 N ALA A 49 16.501 1.769 1.923 1.00 9.56 N ATOM 695 CA ALA A 49 16.738 3.203 1.904 1.00 10.26 C ATOM 696 C ALA A 49 15.462 4.056 1.885 1.00 8.84 C ATOM 697 O ALA A 49 14.892 4.315 0.834 1.00 8.79 O ATOM 698 CB ALA A 49 17.621 3.560 0.721 1.00 11.21 C ATOM 699 HA ALA A 49 17.237 3.439 2.844 1.00 0.00 H ATOM 700 HB1 ALA A 49 18.573 3.037 0.809 1.00 0.00 H ATOM 701 HB2 ALA A 49 17.126 3.263 -0.203 1.00 0.00 H ATOM 702 HB3 ALA A 49 17.796 4.636 0.711 1.00 0.00 H ATOM 703 H ALA A 49 16.262 1.280 1.037 1.00 0.00 H ATOM 704 N GLU A 50 15.101 4.569 3.052 1.00 8.30 N ATOM 705 CA GLU A 50 14.108 5.634 3.103 1.00 8.35 C ATOM 706 C GLU A 50 14.418 6.784 2.188 1.00 8.36 C ATOM 707 O GLU A 50 13.483 7.398 1.596 1.00 8.02 O ATOM 708 CB GLU A 50 13.904 6.152 4.546 1.00 8.98 C ATOM 709 CG GLU A 50 13.125 5.230 5.450 1.00 8.96 C ATOM 710 CD GLU A 50 13.864 4.045 6.037 1.00 11.18 C ATOM 711 OE1 GLU A 50 15.099 3.941 5.871 1.00 13.21 O ATOM 712 OE2 GLU A 50 13.181 3.161 6.638 1.00 12.19 O ATOM 713 HA GLU A 50 13.182 5.181 2.749 1.00 0.00 H ATOM 714 HB2 GLU A 50 14.886 6.311 4.990 1.00 0.00 H ATOM 715 HB3 GLU A 50 13.373 7.102 4.493 1.00 0.00 H ATOM 716 HG2 GLU A 50 12.749 5.827 6.281 1.00 0.00 H ATOM 717 HG3 GLU A 50 12.285 4.840 4.875 1.00 0.00 H ATOM 718 H GLU A 50 15.526 4.212 3.931 1.00 0.00 H ATOM 719 N GLN A 51 15.693 7.128 2.041 1.00 9.02 N ATOM 720 CA GLN A 51 16.017 8.315 1.223 1.00 9.28 C ATOM 721 C GLN A 51 15.640 8.147 -0.216 1.00 8.47 C ATOM 722 O GLN A 51 15.355 9.115 -0.902 1.00 9.09 O ATOM 723 CB GLN A 51 17.494 8.725 1.358 1.00 10.27 C ATOM 724 CG GLN A 51 17.825 10.165 0.892 1.00 11.42 C ATOM 725 CD GLN A 51 17.074 11.199 1.697 1.00 10.85 C ATOM 726 OE1 GLN A 51 17.271 11.259 2.919 1.00 13.07 O ATOM 727 NE2 GLN A 51 16.235 11.993 1.077 1.00 11.38 N ATOM 728 HA GLN A 51 15.407 9.125 1.622 1.00 0.00 H ATOM 729 HB2 GLN A 51 17.774 8.637 2.408 1.00 0.00 H ATOM 730 HB3 GLN A 51 18.092 8.033 0.765 1.00 0.00 H ATOM 731 HG2 GLN A 51 18.895 10.337 1.007 1.00 0.00 H ATOM 732 HG3 GLN A 51 17.552 10.268 -0.158 1.00 0.00 H ATOM 733 HE22 GLN A 51 16.101 11.907 0.049 1.00 0.00 H ATOM 734 HE21 GLN A 51 15.704 12.709 1.613 1.00 0.00 H ATOM 735 H GLN A 51 16.448 6.573 2.493 1.00 0.00 H ATOM 736 N MET A 52 15.614 6.908 -0.702 1.00 8.64 N ATOM 737 CA MET A 52 15.164 6.660 -2.076 1.00 8.12 C ATOM 738 C MET A 52 13.741 7.190 -2.239 1.00 7.05 C ATOM 739 O MET A 52 13.416 7.834 -3.237 1.00 7.58 O ATOM 740 CB MET A 52 15.243 5.174 -2.377 1.00 8.39 C ATOM 741 CG MET A 52 14.696 4.791 -3.723 1.00 8.04 C ATOM 742 SD MET A 52 14.354 3.023 -3.921 1.00 8.56 S ATOM 743 CE MET A 52 12.945 2.828 -2.784 1.00 8.72 C ATOM 744 HA MET A 52 15.808 7.180 -2.786 1.00 0.00 H ATOM 745 HB2 MET A 52 16.289 4.871 -2.333 1.00 0.00 H ATOM 746 HB3 MET A 52 14.679 4.639 -1.613 1.00 0.00 H ATOM 747 HG2 MET A 52 15.422 5.085 -4.482 1.00 0.00 H ATOM 748 HG3 MET A 52 13.766 5.337 -3.881 1.00 0.00 H ATOM 749 HE1 MET A 52 13.252 3.106 -1.776 1.00 0.00 H ATOM 750 HE2 MET A 52 12.127 3.473 -3.107 1.00 0.00 H ATOM 751 HE3 MET A 52 12.615 1.789 -2.791 1.00 0.00 H ATOM 752 H MET A 52 15.914 6.112 -0.104 1.00 0.00 H ATOM 753 N LEU A 53 12.845 6.847 -1.304 1.00 6.90 N ATOM 754 CA LEU A 53 11.498 7.352 -1.355 1.00 6.94 C ATOM 755 C LEU A 53 11.435 8.865 -1.152 1.00 6.25 C ATOM 756 O LEU A 53 10.765 9.583 -1.924 1.00 7.43 O ATOM 757 CB LEU A 53 10.594 6.655 -0.338 1.00 5.59 C ATOM 758 CG LEU A 53 10.316 5.182 -0.604 1.00 6.24 C ATOM 759 CD1 LEU A 53 9.490 4.634 0.576 1.00 5.77 C ATOM 760 CD2 LEU A 53 9.572 4.937 -1.933 1.00 6.22 C ATOM 761 HA LEU A 53 11.133 7.131 -2.358 1.00 0.00 H ATOM 762 HB2 LEU A 53 11.066 6.736 0.641 1.00 0.00 H ATOM 763 HB3 LEU A 53 9.639 7.179 -0.324 1.00 0.00 H ATOM 764 HG LEU A 53 11.271 4.664 -0.694 1.00 0.00 H ATOM 765 HD21 LEU A 53 8.614 5.456 -1.913 1.00 0.00 H ATOM 766 HD22 LEU A 53 10.174 5.315 -2.760 1.00 0.00 H ATOM 767 HD23 LEU A 53 9.405 3.868 -2.063 1.00 0.00 H ATOM 768 HD11 LEU A 53 10.057 4.750 1.500 1.00 0.00 H ATOM 769 HD12 LEU A 53 8.554 5.187 0.651 1.00 0.00 H ATOM 770 HD13 LEU A 53 9.277 3.578 0.409 1.00 0.00 H ATOM 771 H LEU A 53 13.126 6.209 -0.533 1.00 0.00 H ATOM 772 N VAL A 54 12.071 9.344 -0.105 1.00 7.63 N ATOM 773 CA VAL A 54 11.977 10.786 0.224 1.00 7.75 C ATOM 774 C VAL A 54 12.424 11.642 -0.937 1.00 8.42 C ATOM 775 O VAL A 54 11.739 12.620 -1.264 1.00 9.03 O ATOM 776 CB VAL A 54 12.705 11.105 1.545 1.00 8.33 C ATOM 777 CG1 VAL A 54 12.670 12.603 1.865 1.00 11.79 C ATOM 778 CG2 VAL A 54 12.075 10.323 2.733 1.00 9.15 C ATOM 779 HA VAL A 54 10.930 11.037 0.393 1.00 0.00 H ATOM 780 HB VAL A 54 13.742 10.796 1.412 1.00 0.00 H ATOM 781 HG11 VAL A 54 13.157 13.156 1.062 1.00 0.00 H ATOM 782 HG12 VAL A 54 11.634 12.930 1.956 1.00 0.00 H ATOM 783 HG13 VAL A 54 13.194 12.785 2.803 1.00 0.00 H ATOM 784 HG21 VAL A 54 11.026 10.603 2.835 1.00 0.00 H ATOM 785 HG22 VAL A 54 12.150 9.252 2.542 1.00 0.00 H ATOM 786 HG23 VAL A 54 12.609 10.568 3.651 1.00 0.00 H ATOM 787 H VAL A 54 12.640 8.711 0.492 1.00 0.00 H ATOM 788 N SER A 55 13.552 11.304 -1.557 1.00 8.32 N ATOM 789 CA SER A 55 14.074 12.112 -2.674 1.00 9.02 C ATOM 790 C SER A 55 13.506 11.773 -4.051 1.00 8.48 C ATOM 791 O SER A 55 13.451 12.677 -4.891 1.00 9.16 O ATOM 792 CB SER A 55 15.593 11.957 -2.758 1.00 10.13 C ATOM 793 OG SER A 55 16.232 12.545 -1.658 1.00 14.52 O ATOM 794 HA SER A 55 13.762 13.130 -2.442 1.00 0.00 H ATOM 795 HB2 SER A 55 15.948 12.435 -3.671 1.00 0.00 H ATOM 796 HB3 SER A 55 15.840 10.896 -2.785 1.00 0.00 H ATOM 797 HG SER A 55 16.017 13.511 -1.630 1.00 0.00 H ATOM 798 H SER A 55 14.073 10.458 -1.249 1.00 0.00 H ATOM 799 N CYS A 56 13.176 10.499 -4.313 1.00 7.38 N ATOM 800 CA CYS A 56 12.901 10.083 -5.681 1.00 7.24 C ATOM 801 C CYS A 56 11.442 9.723 -5.986 1.00 6.82 C ATOM 802 O CYS A 56 11.083 9.677 -7.168 1.00 7.16 O ATOM 803 CB CYS A 56 13.781 8.888 -6.083 1.00 8.09 C ATOM 804 SG CYS A 56 15.576 9.240 -5.874 1.00 11.21 S ATOM 805 HA CYS A 56 13.134 10.972 -6.267 1.00 0.00 H ATOM 806 HB2 CYS A 56 13.590 8.648 -7.129 1.00 0.00 H ATOM 807 HB3 CYS A 56 13.517 8.033 -5.461 1.00 0.00 H ATOM 808 H CYS A 56 13.117 9.808 -3.538 1.00 0.00 H ATOM 809 N ASP A 57 10.625 9.431 -4.984 1.00 6.19 N ATOM 810 CA ASP A 57 9.209 9.089 -5.243 1.00 6.17 C ATOM 811 C ASP A 57 8.425 10.379 -5.370 1.00 6.42 C ATOM 812 O ASP A 57 7.988 10.988 -4.379 1.00 6.84 O ATOM 813 CB ASP A 57 8.686 8.248 -4.069 1.00 6.14 C ATOM 814 CG ASP A 57 7.181 8.094 -4.051 1.00 6.10 C ATOM 815 OD1 ASP A 57 6.501 8.462 -5.039 1.00 5.49 O ATOM 816 OD2 ASP A 57 6.708 7.569 -3.001 1.00 6.08 O ATOM 817 HA ASP A 57 9.103 8.514 -6.163 1.00 0.00 H ATOM 818 HB2 ASP A 57 9.133 7.256 -4.131 1.00 0.00 H ATOM 819 HB3 ASP A 57 8.994 8.726 -3.139 1.00 0.00 H ATOM 820 H ASP A 57 10.982 9.442 -4.007 1.00 0.00 H ATOM 821 N LYS A 58 8.240 10.825 -6.626 1.00 6.86 N ATOM 822 CA LYS A 58 7.580 12.090 -6.907 1.00 7.77 C ATOM 823 C LYS A 58 6.046 12.011 -6.853 1.00 7.23 C ATOM 824 O LYS A 58 5.372 13.008 -7.084 1.00 7.56 O ATOM 825 CB LYS A 58 8.111 12.624 -8.243 1.00 8.60 C ATOM 826 CG LYS A 58 9.649 12.793 -8.239 1.00 10.04 C ATOM 827 CD LYS A 58 10.155 13.693 -7.164 1.00 10.58 C ATOM 828 CE LYS A 58 11.657 13.866 -7.160 1.00 11.30 C ATOM 829 NZ LYS A 58 12.189 14.776 -6.113 1.00 12.89 N ATOM 830 HA LYS A 58 7.824 12.797 -6.114 1.00 0.00 H ATOM 831 HB2 LYS A 58 7.837 11.926 -9.034 1.00 0.00 H ATOM 832 HB3 LYS A 58 7.652 13.593 -8.441 1.00 0.00 H ATOM 833 HG2 LYS A 58 10.102 11.811 -8.106 1.00 0.00 H ATOM 834 HG3 LYS A 58 9.952 13.204 -9.202 1.00 0.00 H ATOM 835 HD2 LYS A 58 9.698 14.674 -7.295 1.00 0.00 H ATOM 836 HD3 LYS A 58 9.855 13.279 -6.201 1.00 0.00 H ATOM 837 HE2 LYS A 58 11.953 14.261 -8.132 1.00 0.00 H ATOM 838 HE3 LYS A 58 12.109 12.885 -7.015 1.00 0.00 H ATOM 839 HZ1 LYS A 58 11.782 15.725 -6.241 1.00 0.00 H ATOM 840 HZ2 LYS A 58 11.931 14.411 -5.174 1.00 0.00 H ATOM 841 HZ3 LYS A 58 13.225 14.827 -6.194 1.00 0.00 H ATOM 842 H LYS A 58 8.580 10.247 -7.421 1.00 0.00 H ATOM 843 N THR A 59 5.518 10.829 -6.470 1.00 5.95 N ATOM 844 CA THR A 59 4.107 10.675 -6.165 1.00 6.12 C ATOM 845 C THR A 59 3.803 10.911 -4.706 1.00 6.52 C ATOM 846 O THR A 59 2.627 10.933 -4.309 1.00 6.44 O ATOM 847 CB THR A 59 3.559 9.302 -6.589 1.00 6.41 C ATOM 848 OG1 THR A 59 3.904 8.293 -5.650 1.00 7.10 O ATOM 849 CG2 THR A 59 4.089 8.942 -8.004 1.00 8.28 C ATOM 850 HA THR A 59 3.602 11.443 -6.751 1.00 0.00 H ATOM 851 HB THR A 59 2.471 9.359 -6.619 1.00 0.00 H ATOM 852 HG1 THR A 59 3.537 7.424 -5.951 1.00 0.00 H ATOM 853 HG23 THR A 59 3.813 9.729 -8.705 1.00 0.00 H ATOM 854 HG21 THR A 59 5.174 8.848 -7.971 1.00 0.00 H ATOM 855 HG22 THR A 59 3.651 7.997 -8.325 1.00 0.00 H ATOM 856 H THR A 59 6.143 10.001 -6.391 1.00 0.00 H ATOM 857 N ASP A 60 4.852 11.104 -3.907 1.00 5.65 N ATOM 858 CA ASP A 60 4.753 11.522 -2.509 1.00 5.67 C ATOM 859 C ASP A 60 5.407 12.903 -2.395 1.00 6.15 C ATOM 860 O ASP A 60 5.882 13.458 -3.387 1.00 6.76 O ATOM 861 CB ASP A 60 5.270 10.439 -1.585 1.00 6.00 C ATOM 862 CG ASP A 60 4.275 9.274 -1.522 1.00 6.02 C ATOM 863 OD1 ASP A 60 3.155 9.544 -1.028 1.00 6.70 O ATOM 864 OD2 ASP A 60 4.561 8.106 -1.984 1.00 5.93 O ATOM 865 HA ASP A 60 3.723 11.645 -2.174 1.00 0.00 H ATOM 866 HB2 ASP A 60 6.227 10.075 -1.958 1.00 0.00 H ATOM 867 HB3 ASP A 60 5.404 10.852 -0.585 1.00 0.00 H ATOM 868 H ASP A 60 5.801 10.947 -4.303 1.00 0.00 H ATOM 869 N SER A 61 5.479 13.445 -1.182 1.00 6.79 N ATOM 870 CA SER A 61 5.803 14.847 -0.985 1.00 7.10 C ATOM 871 C SER A 61 7.022 15.042 -0.088 1.00 7.91 C ATOM 872 O SER A 61 7.130 16.052 0.618 1.00 9.44 O ATOM 873 CB SER A 61 4.597 15.680 -0.492 1.00 7.67 C ATOM 874 OG SER A 61 3.476 15.507 -1.356 1.00 8.97 O ATOM 875 HA SER A 61 6.064 15.229 -1.972 1.00 0.00 H ATOM 876 HB2 SER A 61 4.874 16.734 -0.472 1.00 0.00 H ATOM 877 HB3 SER A 61 4.327 15.358 0.514 1.00 0.00 H ATOM 878 HG SER A 61 3.219 14.551 -1.374 1.00 0.00 H ATOM 879 H SER A 61 5.298 12.847 -0.350 1.00 0.00 H ATOM 880 N GLY A 62 7.977 14.128 -0.158 1.00 8.34 N ATOM 881 CA GLY A 62 9.262 14.290 0.536 1.00 9.56 C ATOM 882 C GLY A 62 9.120 14.495 2.029 1.00 9.03 C ATOM 883 O GLY A 62 8.471 13.699 2.708 1.00 9.96 O ATOM 884 HA3 GLY A 62 9.775 15.155 0.116 1.00 0.00 H ATOM 885 HA2 GLY A 62 9.862 13.396 0.366 1.00 0.00 H ATOM 886 H GLY A 62 7.813 13.269 -0.721 1.00 0.00 H ATOM 887 N CYS A 63 9.728 15.584 2.549 1.00 9.69 N ATOM 888 CA CYS A 63 9.600 15.952 3.949 1.00 10.22 C ATOM 889 C CYS A 63 8.298 16.614 4.331 1.00 9.59 C ATOM 890 O CYS A 63 8.096 16.908 5.524 1.00 10.97 O ATOM 891 CB CYS A 63 10.744 16.861 4.354 1.00 11.92 C ATOM 892 SG CYS A 63 12.382 15.957 4.409 1.00 14.26 S ATOM 893 HA CYS A 63 9.624 15.003 4.485 1.00 0.00 H ATOM 894 HB2 CYS A 63 10.535 17.269 5.343 1.00 0.00 H ATOM 895 HB3 CYS A 63 10.817 17.676 3.634 1.00 0.00 H ATOM 896 H CYS A 63 10.308 16.180 1.925 1.00 0.00 H ATOM 897 N SER A 64 7.385 16.771 3.363 1.00 9.49 N ATOM 898 CA SER A 64 6.034 17.234 3.606 1.00 10.45 C ATOM 899 C SER A 64 4.974 16.132 3.641 1.00 9.26 C ATOM 900 O SER A 64 3.766 16.437 3.620 1.00 10.89 O ATOM 901 CB SER A 64 5.662 18.346 2.637 1.00 9.93 C ATOM 902 OG SER A 64 6.583 19.429 2.806 1.00 13.55 O ATOM 903 HA SER A 64 6.041 17.635 4.620 1.00 0.00 H ATOM 904 HB2 SER A 64 4.649 18.690 2.844 1.00 0.00 H ATOM 905 HB3 SER A 64 5.716 17.975 1.614 1.00 0.00 H ATOM 906 HG SER A 64 7.502 19.112 2.618 1.00 0.00 H ATOM 907 H SER A 64 7.661 16.549 2.385 1.00 0.00 H ATOM 908 N GLY A 65 5.367 14.857 3.616 1.00 8.25 N ATOM 909 CA GLY A 65 4.463 13.782 3.870 1.00 7.36 C ATOM 910 C GLY A 65 4.188 12.928 2.647 1.00 6.44 C ATOM 911 O GLY A 65 4.685 13.170 1.539 1.00 7.17 O ATOM 912 HA3 GLY A 65 3.519 14.199 4.221 1.00 0.00 H ATOM 913 HA2 GLY A 65 4.889 13.147 4.647 1.00 0.00 H ATOM 914 H GLY A 65 6.362 14.640 3.405 1.00 0.00 H ATOM 915 N GLY A 66 3.407 11.877 2.866 1.00 6.78 N ATOM 916 CA GLY A 66 3.059 10.955 1.770 1.00 6.27 C ATOM 917 C GLY A 66 2.128 9.871 2.269 1.00 6.16 C ATOM 918 O GLY A 66 1.545 9.969 3.361 1.00 6.65 O ATOM 919 HA3 GLY A 66 3.969 10.497 1.383 1.00 0.00 H ATOM 920 HA2 GLY A 66 2.567 11.513 0.973 1.00 0.00 H ATOM 921 H GLY A 66 3.036 11.702 3.822 1.00 0.00 H ATOM 922 N LEU A 67 2.003 8.815 1.491 1.00 5.97 N ATOM 923 CA LEU A 67 1.151 7.653 1.778 1.00 5.96 C ATOM 924 C LEU A 67 1.980 6.396 1.566 1.00 5.60 C ATOM 925 O LEU A 67 2.645 6.255 0.536 1.00 5.69 O ATOM 926 CB LEU A 67 -0.050 7.614 0.849 1.00 7.10 C ATOM 927 CG LEU A 67 -1.099 8.675 0.958 1.00 9.96 C ATOM 928 CD1 LEU A 67 -2.099 8.598 -0.201 1.00 12.31 C ATOM 929 CD2 LEU A 67 -1.767 8.648 2.356 1.00 13.48 C ATOM 930 HA LEU A 67 0.789 7.720 2.804 1.00 0.00 H ATOM 931 HB2 LEU A 67 0.335 7.652 -0.170 1.00 0.00 H ATOM 932 HB3 LEU A 67 -0.547 6.658 1.013 1.00 0.00 H ATOM 933 HG LEU A 67 -0.619 9.650 0.866 1.00 0.00 H ATOM 934 HD21 LEU A 67 -2.232 7.675 2.516 1.00 0.00 H ATOM 935 HD22 LEU A 67 -1.011 8.821 3.122 1.00 0.00 H ATOM 936 HD23 LEU A 67 -2.526 9.429 2.410 1.00 0.00 H ATOM 937 HD11 LEU A 67 -1.570 8.731 -1.145 1.00 0.00 H ATOM 938 HD12 LEU A 67 -2.590 7.625 -0.192 1.00 0.00 H ATOM 939 HD13 LEU A 67 -2.846 9.384 -0.088 1.00 0.00 H ATOM 940 H LEU A 67 2.549 8.803 0.606 1.00 0.00 H ATOM 941 N MET A 68 1.944 5.454 2.512 1.00 5.04 N ATOM 942 CA MET A 68 2.633 4.212 2.320 1.00 4.78 C ATOM 943 C MET A 68 2.150 3.520 1.062 1.00 4.21 C ATOM 944 O MET A 68 2.979 2.937 0.335 1.00 5.36 O ATOM 945 CB MET A 68 2.482 3.303 3.553 1.00 5.04 C ATOM 946 CG MET A 68 3.157 3.824 4.816 1.00 5.30 C ATOM 947 SD MET A 68 2.274 5.146 5.729 1.00 5.97 S ATOM 948 CE MET A 68 1.151 4.150 6.706 1.00 7.08 C ATOM 949 HA MET A 68 3.695 4.426 2.196 1.00 0.00 H ATOM 950 HB2 MET A 68 1.418 3.186 3.760 1.00 0.00 H ATOM 951 HB3 MET A 68 2.914 2.331 3.313 1.00 0.00 H ATOM 952 HG2 MET A 68 4.135 4.213 4.533 1.00 0.00 H ATOM 953 HG3 MET A 68 3.285 2.981 5.495 1.00 0.00 H ATOM 954 HE1 MET A 68 0.513 3.567 6.042 1.00 0.00 H ATOM 955 HE2 MET A 68 1.725 3.477 7.344 1.00 0.00 H ATOM 956 HE3 MET A 68 0.534 4.802 7.325 1.00 0.00 H ATOM 957 H MET A 68 1.414 5.622 3.391 1.00 0.00 H ATOM 958 N ASN A 69 0.849 3.571 0.769 1.00 4.87 N ATOM 959 CA ASN A 69 0.374 2.911 -0.433 1.00 5.62 C ATOM 960 C ASN A 69 0.892 3.549 -1.695 1.00 4.88 C ATOM 961 O ASN A 69 1.185 2.840 -2.679 1.00 6.01 O ATOM 962 CB ASN A 69 -1.152 2.847 -0.419 1.00 7.33 C ATOM 963 CG ASN A 69 -1.658 1.899 0.664 1.00 8.30 C ATOM 964 OD1 ASN A 69 -1.009 0.932 0.959 1.00 11.02 O ATOM 965 ND2 ASN A 69 -2.832 2.199 1.250 1.00 11.48 N ATOM 966 HA ASN A 69 0.772 1.896 -0.432 1.00 0.00 H ATOM 967 HB2 ASN A 69 -1.548 3.845 -0.231 1.00 0.00 H ATOM 968 HB3 ASN A 69 -1.502 2.496 -1.390 1.00 0.00 H ATOM 969 HD22 ASN A 69 -3.356 3.049 0.959 1.00 0.00 H ATOM 970 HD21 ASN A 69 -3.215 1.581 1.994 1.00 0.00 H ATOM 971 H ASN A 69 0.186 4.075 1.392 1.00 0.00 H ATOM 972 N ASN A 70 1.046 4.874 -1.735 1.00 5.00 N ATOM 973 CA ASN A 70 1.677 5.507 -2.896 1.00 5.20 C ATOM 974 C ASN A 70 3.132 5.052 -3.030 1.00 5.07 C ATOM 975 O ASN A 70 3.590 4.786 -4.137 1.00 5.54 O ATOM 976 CB ASN A 70 1.693 7.044 -2.798 1.00 5.48 C ATOM 977 CG ASN A 70 0.392 7.729 -3.180 1.00 6.07 C ATOM 978 OD1 ASN A 70 -0.637 7.127 -3.347 1.00 9.92 O ATOM 979 ND2 ASN A 70 0.484 9.045 -3.344 1.00 7.36 N ATOM 980 HA ASN A 70 1.082 5.206 -3.758 1.00 0.00 H ATOM 981 HB2 ASN A 70 1.927 7.314 -1.768 1.00 0.00 H ATOM 982 HB3 ASN A 70 2.477 7.416 -3.457 1.00 0.00 H ATOM 983 HD22 ASN A 70 1.393 9.526 -3.189 1.00 0.00 H ATOM 984 HD21 ASN A 70 -0.353 9.594 -3.627 1.00 0.00 H ATOM 985 H ASN A 70 0.717 5.459 -0.940 1.00 0.00 H ATOM 986 N ALA A 71 3.825 4.929 -1.898 1.00 4.91 N ATOM 987 CA ALA A 71 5.223 4.484 -1.925 1.00 5.03 C ATOM 988 C ALA A 71 5.383 3.087 -2.527 1.00 4.44 C ATOM 989 O ALA A 71 6.227 2.843 -3.390 1.00 5.40 O ATOM 990 CB ALA A 71 5.834 4.553 -0.538 1.00 6.04 C ATOM 991 HA ALA A 71 5.763 5.169 -2.579 1.00 0.00 H ATOM 992 HB1 ALA A 71 5.798 5.581 -0.177 1.00 0.00 H ATOM 993 HB2 ALA A 71 5.271 3.909 0.138 1.00 0.00 H ATOM 994 HB3 ALA A 71 6.870 4.219 -0.582 1.00 0.00 H ATOM 995 H ALA A 71 3.371 5.150 -0.989 1.00 0.00 H ATOM 996 N PHE A 72 4.522 2.158 -2.102 1.00 4.71 N ATOM 997 CA PHE A 72 4.565 0.806 -2.627 1.00 5.68 C ATOM 998 C PHE A 72 4.288 0.806 -4.154 1.00 6.13 C ATOM 999 O PHE A 72 4.902 0.066 -4.910 1.00 7.00 O ATOM 1000 CB PHE A 72 3.558 -0.122 -1.930 1.00 5.71 C ATOM 1001 CG PHE A 72 3.760 -0.313 -0.463 1.00 4.55 C ATOM 1002 CD1 PHE A 72 5.002 -0.613 0.075 1.00 5.09 C ATOM 1003 CD2 PHE A 72 2.674 -0.330 0.369 1.00 4.97 C ATOM 1004 CE1 PHE A 72 5.157 -0.824 1.435 1.00 5.93 C ATOM 1005 CE2 PHE A 72 2.847 -0.550 1.724 1.00 5.51 C ATOM 1006 CZ PHE A 72 4.061 -0.831 2.281 1.00 5.96 C ATOM 1007 HA PHE A 72 5.567 0.425 -2.431 1.00 0.00 H ATOM 1008 HB2 PHE A 72 2.561 0.293 -2.080 1.00 0.00 H ATOM 1009 HB3 PHE A 72 3.619 -1.100 -2.407 1.00 0.00 H ATOM 1010 HD2 PHE A 72 1.674 -0.171 -0.035 1.00 0.00 H ATOM 1011 HE2 PHE A 72 1.975 -0.497 2.376 1.00 0.00 H ATOM 1012 HZ PHE A 72 4.163 -1.051 3.344 1.00 0.00 H ATOM 1013 HE1 PHE A 72 6.154 -0.987 1.844 1.00 0.00 H ATOM 1014 HD1 PHE A 72 5.869 -0.684 -0.582 1.00 0.00 H ATOM 1015 H PHE A 72 3.811 2.407 -1.385 1.00 0.00 H ATOM 1016 N GLU A 73 3.326 1.620 -4.584 1.00 5.32 N ATOM 1017 CA GLU A 73 2.995 1.769 -5.986 1.00 6.48 C ATOM 1018 C GLU A 73 4.131 2.377 -6.799 1.00 5.68 C ATOM 1019 O GLU A 73 4.407 1.905 -7.905 1.00 7.47 O ATOM 1020 CB GLU A 73 1.688 2.559 -6.146 1.00 8.14 C ATOM 1021 CG GLU A 73 0.454 1.718 -5.756 1.00 13.57 C ATOM 1022 CD GLU A 73 0.118 0.628 -6.769 1.00 19.48 C ATOM 1023 OE1 GLU A 73 0.472 0.784 -7.927 1.00 23.10 O ATOM 1024 OE2 GLU A 73 -0.514 -0.382 -6.399 1.00 28.90 O ATOM 1025 HA GLU A 73 2.843 0.769 -6.393 1.00 0.00 H ATOM 1026 HB2 GLU A 73 1.729 3.441 -5.508 1.00 0.00 H ATOM 1027 HB3 GLU A 73 1.589 2.869 -7.186 1.00 0.00 H ATOM 1028 HG2 GLU A 73 0.647 1.247 -4.792 1.00 0.00 H ATOM 1029 HG3 GLU A 73 -0.404 2.384 -5.667 1.00 0.00 H ATOM 1030 H GLU A 73 2.790 2.172 -3.884 1.00 0.00 H ATOM 1031 N TRP A 74 4.810 3.385 -6.257 1.00 5.80 N ATOM 1032 CA TRP A 74 5.937 3.991 -6.955 1.00 5.66 C ATOM 1033 C TRP A 74 7.052 2.949 -7.176 1.00 5.82 C ATOM 1034 O TRP A 74 7.655 2.865 -8.250 1.00 5.96 O ATOM 1035 CB TRP A 74 6.480 5.228 -6.191 1.00 5.92 C ATOM 1036 CG TRP A 74 7.693 5.846 -6.822 1.00 6.34 C ATOM 1037 CD1 TRP A 74 7.694 6.786 -7.778 1.00 6.40 C ATOM 1038 CD2 TRP A 74 9.069 5.526 -6.600 1.00 6.10 C ATOM 1039 NE1 TRP A 74 8.971 7.087 -8.188 1.00 6.78 N ATOM 1040 CE2 TRP A 74 9.840 6.322 -7.468 1.00 6.70 C ATOM 1041 CE3 TRP A 74 9.739 4.615 -5.775 1.00 6.31 C ATOM 1042 CZ2 TRP A 74 11.230 6.255 -7.506 1.00 7.05 C ATOM 1043 CZ3 TRP A 74 11.119 4.570 -5.805 1.00 7.82 C ATOM 1044 CH2 TRP A 74 11.854 5.366 -6.654 1.00 7.76 C ATOM 1045 HA TRP A 74 5.585 4.337 -7.927 1.00 0.00 H ATOM 1046 HB2 TRP A 74 5.692 5.980 -6.151 1.00 0.00 H ATOM 1047 HB3 TRP A 74 6.739 4.920 -5.178 1.00 0.00 H ATOM 1048 HE1 TRP A 74 9.230 7.778 -8.921 1.00 0.00 H ATOM 1049 HD1 TRP A 74 6.795 7.253 -8.180 1.00 0.00 H ATOM 1050 HZ2 TRP A 74 11.806 6.883 -8.185 1.00 0.00 H ATOM 1051 HH2 TRP A 74 12.942 5.294 -6.654 1.00 0.00 H ATOM 1052 HZ3 TRP A 74 11.641 3.885 -5.137 1.00 0.00 H ATOM 1053 HE3 TRP A 74 9.179 3.950 -5.118 1.00 0.00 H ATOM 1054 H TRP A 74 4.533 3.746 -5.322 1.00 0.00 H ATOM 1055 N ILE A 75 7.344 2.189 -6.133 1.00 5.69 N ATOM 1056 CA ILE A 75 8.403 1.202 -6.235 1.00 6.25 C ATOM 1057 C ILE A 75 8.133 0.318 -7.447 1.00 6.15 C ATOM 1058 O ILE A 75 9.032 0.066 -8.277 1.00 7.25 O ATOM 1059 CB ILE A 75 8.565 0.411 -4.924 1.00 6.55 C ATOM 1060 CG1 ILE A 75 9.140 1.275 -3.798 1.00 7.29 C ATOM 1061 CG2 ILE A 75 9.494 -0.806 -5.162 1.00 8.47 C ATOM 1062 CD1 ILE A 75 8.917 0.700 -2.411 1.00 7.12 C ATOM 1063 HA ILE A 75 9.362 1.697 -6.386 1.00 0.00 H ATOM 1064 HB ILE A 75 7.574 0.078 -4.617 1.00 0.00 H ATOM 1065 HG12 ILE A 75 10.213 1.380 -3.959 1.00 0.00 H ATOM 1066 HG13 ILE A 75 8.669 2.257 -3.843 1.00 0.00 H ATOM 1067 HD11 ILE A 75 7.847 0.599 -2.229 1.00 0.00 H ATOM 1068 HD12 ILE A 75 9.392 -0.279 -2.344 1.00 0.00 H ATOM 1069 HD13 ILE A 75 9.352 1.368 -1.668 1.00 0.00 H ATOM 1070 HG21 ILE A 75 9.057 -1.452 -5.924 1.00 0.00 H ATOM 1071 HG22 ILE A 75 10.470 -0.456 -5.497 1.00 0.00 H ATOM 1072 HG23 ILE A 75 9.606 -1.363 -4.232 1.00 0.00 H ATOM 1073 H ILE A 75 6.817 2.299 -5.243 1.00 0.00 H ATOM 1074 N VAL A 76 6.944 -0.229 -7.517 1.00 6.55 N ATOM 1075 CA VAL A 76 6.579 -1.170 -8.612 1.00 7.21 C ATOM 1076 C VAL A 76 6.438 -0.475 -9.976 1.00 7.66 C ATOM 1077 O VAL A 76 6.975 -0.961 -10.979 1.00 8.45 O ATOM 1078 CB VAL A 76 5.262 -1.936 -8.262 1.00 8.01 C ATOM 1079 CG1 VAL A 76 4.755 -2.833 -9.417 1.00 10.52 C ATOM 1080 CG2 VAL A 76 5.481 -2.788 -6.999 1.00 8.90 C ATOM 1081 HA VAL A 76 7.402 -1.879 -8.698 1.00 0.00 H ATOM 1082 HB VAL A 76 4.493 -1.184 -8.087 1.00 0.00 H ATOM 1083 HG11 VAL A 76 4.556 -2.216 -10.294 1.00 0.00 H ATOM 1084 HG12 VAL A 76 5.515 -3.576 -9.659 1.00 0.00 H ATOM 1085 HG13 VAL A 76 3.838 -3.336 -9.109 1.00 0.00 H ATOM 1086 HG21 VAL A 76 6.281 -3.506 -7.181 1.00 0.00 H ATOM 1087 HG22 VAL A 76 5.755 -2.139 -6.167 1.00 0.00 H ATOM 1088 HG23 VAL A 76 4.561 -3.321 -6.758 1.00 0.00 H ATOM 1089 H VAL A 76 6.237 -0.000 -6.789 1.00 0.00 H ATOM 1090 N GLN A 77 5.705 0.629 -10.023 1.00 7.12 N ATOM 1091 CA GLN A 77 5.307 1.247 -11.297 1.00 8.00 C ATOM 1092 C GLN A 77 6.383 2.154 -11.854 1.00 8.05 C ATOM 1093 O GLN A 77 6.394 2.379 -13.081 1.00 10.28 O ATOM 1094 CB GLN A 77 4.041 2.044 -11.132 1.00 9.23 C ATOM 1095 CG GLN A 77 2.808 1.243 -10.668 1.00 11.35 C ATOM 1096 CD GLN A 77 1.533 2.078 -10.585 1.00 15.76 C ATOM 1097 OE1 GLN A 77 1.513 3.174 -10.010 1.00 15.94 O ATOM 1098 NE2 GLN A 77 0.457 1.580 -11.158 1.00 19.66 N ATOM 1099 HA GLN A 77 5.145 0.429 -11.999 1.00 0.00 H ATOM 1100 HB2 GLN A 77 4.230 2.826 -10.397 1.00 0.00 H ATOM 1101 HB3 GLN A 77 3.803 2.500 -12.093 1.00 0.00 H ATOM 1102 HG2 GLN A 77 2.641 0.428 -11.372 1.00 0.00 H ATOM 1103 HG3 GLN A 77 3.016 0.831 -9.680 1.00 0.00 H ATOM 1104 HE22 GLN A 77 0.502 0.657 -11.634 1.00 0.00 H ATOM 1105 HE21 GLN A 77 -0.437 2.110 -11.134 1.00 0.00 H ATOM 1106 H GLN A 77 5.402 1.071 -9.132 1.00 0.00 H ATOM 1107 N GLU A 78 7.244 2.713 -11.014 1.00 7.44 N ATOM 1108 CA GLU A 78 8.260 3.678 -11.468 1.00 7.50 C ATOM 1109 C GLU A 78 9.718 3.236 -11.236 1.00 8.40 C ATOM 1110 O GLU A 78 10.604 3.751 -11.901 1.00 11.35 O ATOM 1111 CB GLU A 78 8.052 5.054 -10.812 1.00 8.75 C ATOM 1112 CG GLU A 78 6.645 5.610 -11.152 1.00 9.31 C ATOM 1113 CD GLU A 78 6.436 6.015 -12.603 1.00 11.35 C ATOM 1114 OE1 GLU A 78 7.385 6.011 -13.406 1.00 14.39 O ATOM 1115 OE2 GLU A 78 5.253 6.396 -12.933 1.00 13.58 O ATOM 1116 HA GLU A 78 8.112 3.736 -12.546 1.00 0.00 H ATOM 1117 HB2 GLU A 78 8.147 4.954 -9.731 1.00 0.00 H ATOM 1118 HB3 GLU A 78 8.810 5.746 -11.180 1.00 0.00 H ATOM 1119 HG2 GLU A 78 5.912 4.841 -10.908 1.00 0.00 H ATOM 1120 HG3 GLU A 78 6.470 6.487 -10.529 1.00 0.00 H ATOM 1121 H GLU A 78 7.200 2.463 -10.006 1.00 0.00 H ATOM 1122 N ASN A 79 9.970 2.335 -10.311 1.00 8.26 N ATOM 1123 CA ASN A 79 11.317 1.865 -10.018 1.00 8.27 C ATOM 1124 C ASN A 79 11.552 0.394 -10.320 1.00 8.08 C ATOM 1125 O ASN A 79 12.482 -0.227 -9.787 1.00 9.77 O ATOM 1126 CB ASN A 79 11.769 2.200 -8.582 1.00 8.11 C ATOM 1127 CG ASN A 79 13.250 2.559 -8.489 1.00 8.81 C ATOM 1128 OD1 ASN A 79 13.796 3.281 -9.363 1.00 9.42 O ATOM 1129 ND2 ASN A 79 13.933 2.040 -7.464 1.00 8.82 N ATOM 1130 HA ASN A 79 11.942 2.425 -10.714 1.00 0.00 H ATOM 1131 HB2 ASN A 79 11.183 3.046 -8.222 1.00 0.00 H ATOM 1132 HB3 ASN A 79 11.581 1.334 -7.948 1.00 0.00 H ATOM 1133 HD22 ASN A 79 13.446 1.448 -6.761 1.00 0.00 H ATOM 1134 HD21 ASN A 79 14.951 2.228 -7.369 1.00 0.00 H ATOM 1135 H ASN A 79 9.175 1.943 -9.767 1.00 0.00 H ATOM 1136 N ASN A 80 10.684 -0.210 -11.146 1.00 8.18 N ATOM 1137 CA ASN A 80 10.860 -1.636 -11.571 1.00 8.70 C ATOM 1138 C ASN A 80 10.911 -2.592 -10.438 1.00 8.93 C ATOM 1139 O ASN A 80 11.534 -3.645 -10.545 1.00 11.20 O ATOM 1140 CB ASN A 80 12.122 -1.940 -12.417 1.00 9.60 C ATOM 1141 CG ASN A 80 12.055 -1.326 -13.765 1.00 9.51 C ATOM 1142 OD1 ASN A 80 11.641 -1.976 -14.734 1.00 16.35 O ATOM 1143 ND2 ASN A 80 12.460 -0.090 -13.876 1.00 10.54 N ATOM 1144 HA ASN A 80 9.968 -1.771 -12.183 1.00 0.00 H ATOM 1145 HB2 ASN A 80 12.996 -1.549 -11.896 1.00 0.00 H ATOM 1146 HB3 ASN A 80 12.219 -3.020 -12.527 1.00 0.00 H ATOM 1147 HD22 ASN A 80 12.801 0.423 -13.038 1.00 0.00 H ATOM 1148 HD21 ASN A 80 12.442 0.382 -14.803 1.00 0.00 H ATOM 1149 H ASN A 80 9.867 0.326 -11.501 1.00 0.00 H ATOM 1150 N GLY A 81 10.197 -2.250 -9.376 1.00 8.82 N ATOM 1151 CA GLY A 81 10.155 -3.106 -8.226 1.00 9.14 C ATOM 1152 C GLY A 81 11.289 -2.975 -7.246 1.00 8.13 C ATOM 1153 O GLY A 81 11.220 -3.592 -6.160 1.00 10.52 O ATOM 1154 HA3 GLY A 81 10.142 -4.137 -8.581 1.00 0.00 H ATOM 1155 HA2 GLY A 81 9.229 -2.896 -7.691 1.00 0.00 H ATOM 1156 H GLY A 81 9.664 -1.357 -9.376 1.00 0.00 H ATOM 1157 N ALA A 82 12.291 -2.168 -7.580 1.00 9.23 N ATOM 1158 CA ALA A 82 13.527 -2.152 -6.828 1.00 9.42 C ATOM 1159 C ALA A 82 13.534 -1.214 -5.625 1.00 8.28 C ATOM 1160 O ALA A 82 13.033 -0.074 -5.683 1.00 7.64 O ATOM 1161 CB ALA A 82 14.682 -1.764 -7.772 1.00 11.06 C ATOM 1162 HA ALA A 82 13.645 -3.158 -6.424 1.00 0.00 H ATOM 1163 HB1 ALA A 82 14.751 -2.494 -8.579 1.00 0.00 H ATOM 1164 HB2 ALA A 82 14.492 -0.775 -8.190 1.00 0.00 H ATOM 1165 HB3 ALA A 82 15.617 -1.750 -7.213 1.00 0.00 H ATOM 1166 H ALA A 82 12.184 -1.535 -8.398 1.00 0.00 H ATOM 1167 N VAL A 83 14.180 -1.673 -4.572 1.00 8.78 N ATOM 1168 CA VAL A 83 14.407 -0.889 -3.366 1.00 7.86 C ATOM 1169 C VAL A 83 15.898 -0.907 -3.038 1.00 9.59 C ATOM 1170 O VAL A 83 16.469 -1.990 -2.881 1.00 11.17 O ATOM 1171 CB VAL A 83 13.588 -1.388 -2.166 1.00 8.51 C ATOM 1172 CG1 VAL A 83 13.772 -0.501 -0.923 1.00 8.08 C ATOM 1173 CG2 VAL A 83 12.073 -1.516 -2.511 1.00 10.17 C ATOM 1174 HA VAL A 83 14.072 0.130 -3.561 1.00 0.00 H ATOM 1175 HB VAL A 83 13.974 -2.380 -1.931 1.00 0.00 H ATOM 1176 HG11 VAL A 83 14.823 -0.495 -0.635 1.00 0.00 H ATOM 1177 HG12 VAL A 83 13.451 0.515 -1.152 1.00 0.00 H ATOM 1178 HG13 VAL A 83 13.172 -0.897 -0.104 1.00 0.00 H ATOM 1179 HG21 VAL A 83 11.686 -0.541 -2.809 1.00 0.00 H ATOM 1180 HG22 VAL A 83 11.947 -2.224 -3.330 1.00 0.00 H ATOM 1181 HG23 VAL A 83 11.531 -1.872 -1.635 1.00 0.00 H ATOM 1182 H VAL A 83 14.547 -2.646 -4.604 1.00 0.00 H ATOM 1183 N TYR A 84 16.540 0.244 -3.004 1.00 10.51 N ATOM 1184 CA TYR A 84 17.991 0.298 -2.777 1.00 10.03 C ATOM 1185 C TYR A 84 18.356 0.097 -1.305 1.00 12.13 C ATOM 1186 O TYR A 84 17.540 0.336 -0.384 1.00 12.14 O ATOM 1187 CB TYR A 84 18.547 1.616 -3.273 1.00 11.33 C ATOM 1188 CG TYR A 84 18.299 1.841 -4.738 1.00 11.01 C ATOM 1189 CD1 TYR A 84 18.702 0.888 -5.668 1.00 11.94 C ATOM 1190 CD2 TYR A 84 17.727 3.008 -5.232 1.00 9.22 C ATOM 1191 CE1 TYR A 84 18.460 1.056 -7.029 1.00 11.20 C ATOM 1192 CE2 TYR A 84 17.483 3.171 -6.613 1.00 8.78 C ATOM 1193 CZ TYR A 84 17.891 2.210 -7.508 1.00 9.39 C ATOM 1194 OH TYR A 84 17.691 2.353 -8.858 1.00 11.02 O ATOM 1195 HA TYR A 84 18.437 -0.523 -3.338 1.00 0.00 H ATOM 1196 HB3 TYR A 84 19.622 1.629 -3.096 1.00 0.00 H ATOM 1197 HB2 TYR A 84 18.078 2.425 -2.712 1.00 0.00 H ATOM 1198 HD2 TYR A 84 17.463 3.810 -4.542 1.00 0.00 H ATOM 1199 HE2 TYR A 84 16.969 4.063 -6.971 1.00 0.00 H ATOM 1200 HE1 TYR A 84 18.726 0.260 -7.724 1.00 0.00 H ATOM 1201 HD1 TYR A 84 19.218 -0.009 -5.324 1.00 0.00 H ATOM 1202 HH TYR A 84 18.052 1.561 -9.330 1.00 0.00 H ATOM 1203 H TYR A 84 16.011 1.129 -3.140 1.00 0.00 H ATOM 1204 N THR A 85 19.580 -0.354 -1.072 1.00 12.66 N ATOM 1205 CA THR A 85 20.081 -0.501 0.277 1.00 13.30 C ATOM 1206 C THR A 85 20.321 0.834 0.944 1.00 14.05 C ATOM 1207 O THR A 85 20.718 1.786 0.278 1.00 14.49 O ATOM 1208 CB THR A 85 21.419 -1.241 0.315 1.00 15.25 C ATOM 1209 OG1 THR A 85 22.383 -0.506 -0.414 1.00 17.30 O ATOM 1210 CG2 THR A 85 21.286 -2.595 -0.261 1.00 15.23 C ATOM 1211 HA THR A 85 19.309 -1.064 0.801 1.00 0.00 H ATOM 1212 HB THR A 85 21.735 -1.338 1.354 1.00 0.00 H ATOM 1213 HG1 THR A 85 22.083 -0.411 -1.353 1.00 0.00 H ATOM 1214 HG23 THR A 85 20.542 -3.157 0.304 1.00 0.00 H ATOM 1215 HG21 THR A 85 20.971 -2.516 -1.301 1.00 0.00 H ATOM 1216 HG22 THR A 85 22.247 -3.107 -0.209 1.00 0.00 H ATOM 1217 H THR A 85 20.192 -0.607 -1.874 1.00 0.00 H ATOM 1218 N GLU A 86 20.153 0.860 2.288 1.00 13.75 N ATOM 1219 CA GLU A 86 20.490 2.038 3.062 1.00 14.05 C ATOM 1220 C GLU A 86 21.979 2.456 2.937 1.00 14.26 C ATOM 1221 O GLU A 86 22.286 3.649 2.861 1.00 16.72 O ATOM 1222 CB GLU A 86 20.082 1.828 4.556 1.00 13.78 C ATOM 1223 CG GLU A 86 20.182 3.069 5.341 1.00 16.22 C ATOM 1224 CD GLU A 86 19.591 3.001 6.732 1.00 18.55 C ATOM 1225 OE1 GLU A 86 19.039 1.935 7.086 1.00 18.27 O ATOM 1226 OE2 GLU A 86 19.717 4.043 7.418 1.00 22.49 O ATOM 1227 HA GLU A 86 19.920 2.868 2.644 1.00 0.00 H ATOM 1228 HB2 GLU A 86 19.052 1.472 4.592 1.00 0.00 H ATOM 1229 HB3 GLU A 86 20.740 1.079 4.998 1.00 0.00 H ATOM 1230 HG2 GLU A 86 21.237 3.325 5.435 1.00 0.00 H ATOM 1231 HG3 GLU A 86 19.666 3.857 4.793 1.00 0.00 H ATOM 1232 H GLU A 86 19.776 0.021 2.772 1.00 0.00 H ATOM 1233 N ASP A 87 22.709 1.275 2.863 1.00 14.80 N ATOM 1234 CA ASP A 87 24.214 1.017 2.669 1.00 13.69 C ATOM 1235 C ASP A 87 24.597 1.674 1.389 1.00 11.77 C ATOM 1236 O ASP A 87 25.575 2.381 1.384 1.00 11.12 O ATOM 1237 CB ASP A 87 24.694 -0.482 2.511 1.00 14.92 C ATOM 1238 CG ASP A 87 25.095 -1.164 3.817 1.00 16.93 C ATOM 1239 OD1 ASP A 87 25.462 -0.470 4.815 1.00 21.94 O ATOM 1240 OD2 ASP A 87 25.091 -2.425 3.817 1.00 17.35 O ATOM 1241 HA ASP A 87 24.672 1.389 3.585 1.00 0.00 H ATOM 1242 HB2 ASP A 87 23.881 -1.054 2.065 1.00 0.00 H ATOM 1243 HB3 ASP A 87 25.555 -0.495 1.843 1.00 0.00 H ATOM 1244 H ASP A 87 22.136 0.412 2.955 1.00 0.00 H ATOM 1245 N SER A 88 23.835 1.439 0.314 1.00 11.96 N ATOM 1246 CA SER A 88 24.006 2.241 -0.936 1.00 13.55 C ATOM 1247 C SER A 88 23.305 3.683 -1.131 1.00 14.00 C ATOM 1248 O SER A 88 23.632 4.264 -2.155 1.00 13.05 O ATOM 1249 CB SER A 88 23.815 1.338 -2.191 1.00 13.32 C ATOM 1250 OG SER A 88 22.444 1.100 -2.507 1.00 10.54 O ATOM 1251 HA SER A 88 25.032 2.582 -0.798 1.00 0.00 H ATOM 1252 HB2 SER A 88 24.300 0.380 -2.006 1.00 0.00 H ATOM 1253 HB3 SER A 88 24.288 1.825 -3.044 1.00 0.00 H ATOM 1254 HG SER A 88 22.004 0.649 -1.743 1.00 0.00 H ATOM 1255 H SER A 88 23.115 0.689 0.349 1.00 0.00 H ATOM 1256 N TYR A 89 22.420 4.231 -0.211 1.00 14.59 N ATOM 1257 CA TYR A 89 21.618 5.497 -0.329 1.00 14.29 C ATOM 1258 C TYR A 89 21.248 6.007 1.086 1.00 14.60 C ATOM 1259 O TYR A 89 20.106 5.847 1.532 1.00 14.83 O ATOM 1260 CB TYR A 89 20.325 5.302 -1.184 1.00 12.89 C ATOM 1261 CG TYR A 89 19.722 6.573 -1.785 1.00 11.64 C ATOM 1262 CD1 TYR A 89 18.910 6.474 -2.916 1.00 11.36 C ATOM 1263 CD2 TYR A 89 20.031 7.843 -1.331 1.00 13.84 C ATOM 1264 CE1 TYR A 89 18.416 7.578 -3.531 1.00 10.70 C ATOM 1265 CE2 TYR A 89 19.533 8.965 -1.934 1.00 13.23 C ATOM 1266 CZ TYR A 89 18.743 8.832 -3.054 1.00 12.29 C ATOM 1267 OH TYR A 89 18.254 9.924 -3.719 1.00 13.80 O ATOM 1268 HA TYR A 89 22.234 6.234 -0.843 1.00 0.00 H ATOM 1269 HB3 TYR A 89 19.569 4.843 -0.547 1.00 0.00 H ATOM 1270 HB2 TYR A 89 20.566 4.626 -2.005 1.00 0.00 H ATOM 1271 HD2 TYR A 89 20.689 7.952 -0.469 1.00 0.00 H ATOM 1272 HE2 TYR A 89 19.759 9.953 -1.533 1.00 0.00 H ATOM 1273 HE1 TYR A 89 17.764 7.475 -4.398 1.00 0.00 H ATOM 1274 HD1 TYR A 89 18.668 5.489 -3.314 1.00 0.00 H ATOM 1275 HH TYR A 89 17.713 9.623 -4.491 1.00 0.00 H ATOM 1276 H TYR A 89 22.296 3.697 0.673 1.00 0.00 H ATOM 1277 N PRO A 90 22.254 6.517 1.810 1.00 15.07 N ATOM 1278 CA PRO A 90 21.987 6.818 3.230 1.00 16.20 C ATOM 1279 C PRO A 90 20.996 7.993 3.471 1.00 15.75 C ATOM 1280 O PRO A 90 20.752 8.771 2.584 1.00 16.27 O ATOM 1281 CB PRO A 90 23.404 7.109 3.770 1.00 17.31 C ATOM 1282 CG PRO A 90 24.382 6.632 2.711 1.00 17.96 C ATOM 1283 CD PRO A 90 23.682 6.640 1.424 1.00 16.09 C ATOM 1284 HA PRO A 90 21.476 5.999 3.736 1.00 0.00 H ATOM 1285 HD3 PRO A 90 23.863 7.571 0.887 1.00 0.00 H ATOM 1286 HD2 PRO A 90 23.993 5.799 0.805 1.00 0.00 H ATOM 1287 HG3 PRO A 90 24.719 5.622 2.944 1.00 0.00 H ATOM 1288 HG2 PRO A 90 25.242 7.301 2.671 1.00 0.00 H ATOM 1289 HB2 PRO A 90 23.528 8.178 3.942 1.00 0.00 H ATOM 1290 HB3 PRO A 90 23.568 6.570 4.703 1.00 0.00 H ATOM 1291 N TYR A 91 20.304 8.032 4.632 1.00 14.56 N ATOM 1292 CA TYR A 91 19.370 9.086 4.975 1.00 14.61 C ATOM 1293 C TYR A 91 20.078 10.441 5.042 1.00 13.87 C ATOM 1294 O TYR A 91 21.170 10.565 5.682 1.00 18.99 O ATOM 1295 CB TYR A 91 18.628 8.776 6.281 1.00 13.50 C ATOM 1296 CG TYR A 91 17.432 9.610 6.555 1.00 14.21 C ATOM 1297 CD1 TYR A 91 16.290 9.532 5.736 1.00 11.83 C ATOM 1298 CD2 TYR A 91 17.378 10.394 7.704 1.00 13.25 C ATOM 1299 CE1 TYR A 91 15.234 10.238 6.002 1.00 11.48 C ATOM 1300 CE2 TYR A 91 16.276 11.139 7.993 1.00 13.15 C ATOM 1301 CZ TYR A 91 15.193 11.032 7.150 1.00 11.36 C ATOM 1302 OH TYR A 91 14.056 11.704 7.391 1.00 12.85 O ATOM 1303 HA TYR A 91 18.622 9.139 4.184 1.00 0.00 H ATOM 1304 HB3 TYR A 91 19.328 8.913 7.105 1.00 0.00 H ATOM 1305 HB2 TYR A 91 18.309 7.734 6.246 1.00 0.00 H ATOM 1306 HD2 TYR A 91 18.231 10.412 8.382 1.00 0.00 H ATOM 1307 HE2 TYR A 91 16.252 11.797 8.861 1.00 0.00 H ATOM 1308 HE1 TYR A 91 14.378 10.211 5.328 1.00 0.00 H ATOM 1309 HD1 TYR A 91 16.293 8.871 4.869 1.00 0.00 H ATOM 1310 HH TYR A 91 13.691 11.429 8.269 1.00 0.00 H ATOM 1311 H TYR A 91 20.450 7.263 5.317 1.00 0.00 H ATOM 1312 N ALA A 92 19.482 11.488 4.495 1.00 15.77 N ATOM 1313 CA ALA A 92 20.108 12.821 4.448 1.00 15.45 C ATOM 1314 C ALA A 92 19.088 13.956 4.623 1.00 15.99 C ATOM 1315 O ALA A 92 19.304 15.090 4.185 1.00 19.90 O ATOM 1316 CB ALA A 92 20.805 12.952 3.065 1.00 16.98 C ATOM 1317 HA ALA A 92 20.817 12.911 5.271 1.00 0.00 H ATOM 1318 HB1 ALA A 92 21.558 12.170 2.963 1.00 0.00 H ATOM 1319 HB2 ALA A 92 20.062 12.848 2.274 1.00 0.00 H ATOM 1320 HB3 ALA A 92 21.282 13.929 2.991 1.00 0.00 H ATOM 1321 H ALA A 92 18.535 11.365 4.082 1.00 0.00 H ATOM 1322 N SER A 93 17.983 13.672 5.346 1.00 14.11 N ATOM 1323 CA SER A 93 16.932 14.619 5.486 1.00 14.18 C ATOM 1324 C SER A 93 16.655 14.973 6.944 1.00 12.78 C ATOM 1325 O SER A 93 15.649 15.620 7.195 1.00 14.99 O ATOM 1326 CB SER A 93 15.650 14.067 4.831 1.00 13.25 C ATOM 1327 OG SER A 93 15.905 13.598 3.488 1.00 16.50 O ATOM 1328 HA SER A 93 17.248 15.535 4.986 1.00 0.00 H ATOM 1329 HB2 SER A 93 14.901 14.858 4.795 1.00 0.00 H ATOM 1330 HB3 SER A 93 15.273 13.239 5.431 1.00 0.00 H ATOM 1331 HG SER A 93 16.581 12.875 3.515 1.00 0.00 H ATOM 1332 H SER A 93 17.900 12.744 5.808 1.00 0.00 H ATOM 1333 N GLY A 94 17.591 14.621 7.818 1.00 15.75 N ATOM 1334 CA GLY A 94 17.395 14.802 9.260 1.00 15.90 C ATOM 1335 C GLY A 94 17.153 16.259 9.643 1.00 17.02 C ATOM 1336 O GLY A 94 16.534 16.490 10.676 1.00 15.88 O ATOM 1337 HA3 GLY A 94 18.285 14.447 9.780 1.00 0.00 H ATOM 1338 HA2 GLY A 94 16.534 14.211 9.572 1.00 0.00 H ATOM 1339 H GLY A 94 18.481 14.209 7.473 1.00 0.00 H ATOM 1340 N GLU A 95 17.638 17.225 8.837 1.00 18.00 N ATOM 1341 CA GLU A 95 17.379 18.684 9.064 1.00 19.70 C ATOM 1342 C GLU A 95 16.023 19.219 8.531 1.00 21.04 C ATOM 1343 O GLU A 95 15.635 20.395 8.737 1.00 23.92 O ATOM 1344 CB GLU A 95 18.561 19.511 8.498 1.00 20.81 C ATOM 1345 CG GLU A 95 19.806 19.373 9.305 1.00 20.15 C ATOM 1346 CD GLU A 95 19.870 20.416 10.447 1.00 19.97 C ATOM 1347 OE1 GLU A 95 18.898 21.215 10.696 1.00 21.67 O ATOM 1348 OE2 GLU A 95 20.877 20.422 11.128 1.00 16.40 O ATOM 1349 HA GLU A 95 17.301 18.803 10.145 1.00 0.00 H ATOM 1350 HB2 GLU A 95 18.766 19.174 7.482 1.00 0.00 H ATOM 1351 HB3 GLU A 95 18.273 20.562 8.480 1.00 0.00 H ATOM 1352 HG2 GLU A 95 19.837 18.373 9.738 1.00 0.00 H ATOM 1353 HG3 GLU A 95 20.667 19.512 8.652 1.00 0.00 H ATOM 1354 H GLU A 95 18.218 16.945 8.021 1.00 0.00 H ATOM 1355 N GLY A 96 15.277 18.338 7.836 1.00 16.90 N ATOM 1356 CA GLY A 96 13.971 18.739 7.357 1.00 18.05 C ATOM 1357 C GLY A 96 13.937 19.075 5.881 1.00 15.85 C ATOM 1358 O GLY A 96 12.896 19.465 5.386 1.00 19.49 O ATOM 1359 HA3 GLY A 96 13.655 19.619 7.917 1.00 0.00 H ATOM 1360 HA2 GLY A 96 13.272 17.923 7.540 1.00 0.00 H ATOM 1361 H GLY A 96 15.635 17.380 7.646 1.00 0.00 H ATOM 1362 N ILE A 97 15.118 19.109 5.218 1.00 16.16 N ATOM 1363 CA ILE A 97 15.280 19.360 3.810 1.00 17.67 C ATOM 1364 C ILE A 97 15.669 18.113 3.078 1.00 17.44 C ATOM 1365 O ILE A 97 16.710 17.568 3.348 1.00 17.98 O ATOM 1366 CB ILE A 97 16.412 20.397 3.542 1.00 17.88 C ATOM 1367 CG1 ILE A 97 16.203 21.618 4.386 1.00 21.05 C ATOM 1368 CG2 ILE A 97 16.419 20.728 2.053 1.00 17.86 C ATOM 1369 CD1 ILE A 97 14.881 22.201 4.123 1.00 19.57 C ATOM 1370 HA ILE A 97 14.318 19.736 3.461 1.00 0.00 H ATOM 1371 HB ILE A 97 17.383 19.984 3.814 1.00 0.00 H ATOM 1372 HG12 ILE A 97 16.272 21.344 5.439 1.00 0.00 H ATOM 1373 HG13 ILE A 97 16.973 22.353 4.152 1.00 0.00 H ATOM 1374 HD11 ILE A 97 14.811 22.479 3.071 1.00 0.00 H ATOM 1375 HD12 ILE A 97 14.109 21.469 4.359 1.00 0.00 H ATOM 1376 HD13 ILE A 97 14.746 23.087 4.744 1.00 0.00 H ATOM 1377 HG21 ILE A 97 16.602 19.819 1.481 1.00 0.00 H ATOM 1378 HG22 ILE A 97 15.453 21.148 1.771 1.00 0.00 H ATOM 1379 HG23 ILE A 97 17.206 21.453 1.847 1.00 0.00 H ATOM 1380 H ILE A 97 15.981 18.939 5.774 1.00 0.00 H ATOM 1381 N SER A 98 14.838 17.715 2.128 1.00 17.68 N ATOM 1382 CA SER A 98 15.133 16.602 1.278 1.00 18.17 C ATOM 1383 C SER A 98 15.974 17.064 0.092 1.00 18.25 C ATOM 1384 O SER A 98 15.570 17.907 -0.692 1.00 20.73 O ATOM 1385 CB SER A 98 13.866 15.972 0.704 1.00 19.12 C ATOM 1386 OG SER A 98 14.236 14.857 -0.088 1.00 19.98 O ATOM 1387 HA SER A 98 15.663 15.872 1.890 1.00 0.00 H ATOM 1388 HB2 SER A 98 13.339 16.701 0.089 1.00 0.00 H ATOM 1389 HB3 SER A 98 13.216 15.647 1.517 1.00 0.00 H ATOM 1390 HG SER A 98 13.423 14.438 -0.467 1.00 0.00 H ATOM 1391 H SER A 98 13.943 18.227 1.995 1.00 0.00 H ATOM 1392 N PRO A 99 17.105 16.458 -0.043 1.00 17.50 N ATOM 1393 CA PRO A 99 17.884 16.777 -1.244 1.00 17.29 C ATOM 1394 C PRO A 99 17.308 16.224 -2.536 1.00 15.49 C ATOM 1395 O PRO A 99 16.443 15.322 -2.498 1.00 16.20 O ATOM 1396 CB PRO A 99 19.171 16.041 -0.948 1.00 18.00 C ATOM 1397 CG PRO A 99 18.773 14.940 -0.179 1.00 21.42 C ATOM 1398 CD PRO A 99 17.770 15.399 0.724 1.00 18.60 C ATOM 1399 HA PRO A 99 17.944 17.853 -1.409 1.00 0.00 H ATOM 1400 HD3 PRO A 99 17.073 14.600 0.977 1.00 0.00 H ATOM 1401 HD2 PRO A 99 18.214 15.795 1.637 1.00 0.00 H ATOM 1402 HG3 PRO A 99 19.624 14.544 0.376 1.00 0.00 H ATOM 1403 HG2 PRO A 99 18.367 14.160 -0.824 1.00 0.00 H ATOM 1404 HB2 PRO A 99 19.650 15.714 -1.871 1.00 0.00 H ATOM 1405 HB3 PRO A 99 19.858 16.675 -0.388 1.00 0.00 H ATOM 1406 N PRO A 100 17.616 16.911 -3.674 1.00 12.23 N ATOM 1407 CA PRO A 100 17.267 16.298 -4.965 1.00 12.23 C ATOM 1408 C PRO A 100 17.659 14.772 -5.067 1.00 11.82 C ATOM 1409 O PRO A 100 18.652 14.365 -4.507 1.00 12.57 O ATOM 1410 CB PRO A 100 18.040 17.172 -5.988 1.00 12.72 C ATOM 1411 CG PRO A 100 18.383 18.505 -5.272 1.00 11.25 C ATOM 1412 CD PRO A 100 18.502 18.103 -3.820 1.00 10.65 C ATOM 1413 HA PRO A 100 16.190 16.283 -5.133 1.00 0.00 H ATOM 1414 HD3 PRO A 100 19.533 17.846 -3.577 1.00 0.00 H ATOM 1415 HD2 PRO A 100 18.167 18.911 -3.170 1.00 0.00 H ATOM 1416 HG3 PRO A 100 17.588 19.238 -5.410 1.00 0.00 H ATOM 1417 HG2 PRO A 100 19.323 18.916 -5.641 1.00 0.00 H ATOM 1418 HB2 PRO A 100 18.954 16.666 -6.298 1.00 0.00 H ATOM 1419 HB3 PRO A 100 17.418 17.365 -6.862 1.00 0.00 H ATOM 1420 N CYS A 101 16.872 13.959 -5.789 1.00 12.57 N ATOM 1421 CA CYS A 101 17.087 12.580 -6.140 1.00 11.70 C ATOM 1422 C CYS A 101 18.448 12.336 -6.838 1.00 11.84 C ATOM 1423 O CYS A 101 18.840 13.072 -7.724 1.00 12.96 O ATOM 1424 CB CYS A 101 15.949 12.138 -7.048 1.00 11.74 C ATOM 1425 SG CYS A 101 16.043 10.385 -7.587 1.00 13.15 S ATOM 1426 HA CYS A 101 17.108 11.996 -5.220 1.00 0.00 H ATOM 1427 HB2 CYS A 101 15.957 12.769 -7.937 1.00 0.00 H ATOM 1428 HB3 CYS A 101 15.011 12.280 -6.512 1.00 0.00 H ATOM 1429 H CYS A 101 15.990 14.382 -6.142 1.00 0.00 H ATOM 1430 N THR A 102 19.161 11.274 -6.442 1.00 10.88 N ATOM 1431 CA THR A 102 20.293 10.727 -7.213 1.00 11.39 C ATOM 1432 C THR A 102 19.850 9.386 -7.749 1.00 10.19 C ATOM 1433 O THR A 102 19.517 8.469 -7.010 1.00 13.24 O ATOM 1434 CB THR A 102 21.600 10.555 -6.377 1.00 12.67 C ATOM 1435 OG1 THR A 102 21.300 9.888 -5.134 1.00 15.24 O ATOM 1436 CG2 THR A 102 22.237 11.914 -6.137 1.00 14.54 C ATOM 1437 HA THR A 102 20.545 11.433 -8.005 1.00 0.00 H ATOM 1438 HB THR A 102 22.312 9.939 -6.927 1.00 0.00 H ATOM 1439 HG1 THR A 102 20.912 8.997 -5.324 1.00 0.00 H ATOM 1440 HG23 THR A 102 22.450 12.388 -7.095 1.00 0.00 H ATOM 1441 HG21 THR A 102 21.552 12.539 -5.565 1.00 0.00 H ATOM 1442 HG22 THR A 102 23.165 11.786 -5.580 1.00 0.00 H ATOM 1443 H THR A 102 18.904 10.812 -5.546 1.00 0.00 H ATOM 1444 N THR A 103 19.833 9.263 -9.068 1.00 9.79 N ATOM 1445 CA THR A 103 19.389 8.034 -9.717 1.00 9.62 C ATOM 1446 C THR A 103 20.480 6.982 -9.847 1.00 10.08 C ATOM 1447 O THR A 103 20.181 5.787 -9.793 1.00 11.95 O ATOM 1448 CB THR A 103 18.740 8.299 -11.071 1.00 11.19 C ATOM 1449 OG1 THR A 103 19.646 9.075 -11.859 1.00 11.01 O ATOM 1450 CG2 THR A 103 17.382 9.001 -10.900 1.00 11.75 C ATOM 1451 HA THR A 103 18.634 7.623 -9.047 1.00 0.00 H ATOM 1452 HB THR A 103 18.539 7.358 -11.582 1.00 0.00 H ATOM 1453 HG1 THR A 103 19.240 9.257 -12.743 1.00 0.00 H ATOM 1454 HG23 THR A 103 16.725 8.376 -10.295 1.00 0.00 H ATOM 1455 HG21 THR A 103 17.530 9.961 -10.405 1.00 0.00 H ATOM 1456 HG22 THR A 103 16.932 9.162 -11.880 1.00 0.00 H ATOM 1457 H THR A 103 20.144 10.063 -9.656 1.00 0.00 H ATOM 1458 N SER A 104 21.721 7.403 -9.998 1.00 11.39 N ATOM 1459 CA SER A 104 22.856 6.487 -10.190 1.00 12.00 C ATOM 1460 C SER A 104 23.535 6.007 -8.978 1.00 15.56 C ATOM 1461 O SER A 104 23.464 6.705 -7.983 1.00 15.22 O ATOM 1462 CB SER A 104 23.978 7.097 -11.036 1.00 11.45 C ATOM 1463 OG SER A 104 23.897 6.706 -12.364 1.00 10.92 O ATOM 1464 HA SER A 104 22.348 5.653 -10.674 1.00 0.00 H ATOM 1465 HB2 SER A 104 24.938 6.776 -10.632 1.00 0.00 H ATOM 1466 HB3 SER A 104 23.908 8.183 -10.984 1.00 0.00 H ATOM 1467 HG SER A 104 24.637 7.120 -12.875 1.00 0.00 H ATOM 1468 H SER A 104 21.905 8.426 -9.981 1.00 0.00 H ATOM 1469 N GLY A 105 24.254 4.878 -9.087 1.00 16.70 N ATOM 1470 CA GLY A 105 25.149 4.392 -8.037 1.00 17.89 C ATOM 1471 C GLY A 105 24.505 4.162 -6.696 1.00 18.44 C ATOM 1472 O GLY A 105 24.971 4.690 -5.636 1.00 18.32 O ATOM 1473 HA3 GLY A 105 25.945 5.125 -7.907 1.00 0.00 H ATOM 1474 HA2 GLY A 105 25.578 3.447 -8.371 1.00 0.00 H ATOM 1475 H GLY A 105 24.170 4.321 -9.962 1.00 0.00 H ATOM 1476 N HIS A 106 23.418 3.413 -6.744 1.00 16.86 N ATOM 1477 CA HIS A 106 22.915 2.878 -5.543 1.00 15.39 C ATOM 1478 C HIS A 106 22.943 1.439 -5.866 1.00 15.96 C ATOM 1479 O HIS A 106 23.215 1.074 -7.000 1.00 18.28 O ATOM 1480 CB HIS A 106 21.497 3.385 -5.313 1.00 14.53 C ATOM 1481 CG HIS A 106 21.457 4.869 -5.125 1.00 14.03 C ATOM 1482 ND1 HIS A 106 22.176 5.539 -4.150 1.00 14.20 N ATOM 1483 CD2 HIS A 106 20.812 5.815 -5.829 1.00 12.47 C ATOM 1484 CE1 HIS A 106 21.946 6.832 -4.250 1.00 14.71 C ATOM 1485 NE2 HIS A 106 21.153 7.028 -5.284 1.00 12.34 N ATOM 1486 HA HIS A 106 23.461 3.137 -4.636 1.00 0.00 H ATOM 1487 HB2 HIS A 106 20.885 3.122 -6.176 1.00 0.00 H ATOM 1488 HB3 HIS A 106 21.092 2.906 -4.422 1.00 0.00 H ATOM 1489 HD2 HIS A 106 20.144 5.650 -6.674 1.00 0.00 H ATOM 1490 HE1 HIS A 106 22.343 7.605 -3.592 1.00 0.00 H ATOM 1491 H HIS A 106 22.944 3.223 -7.650 1.00 0.00 H ATOM 1492 N THR A 107 22.720 0.604 -4.856 1.00 15.84 N ATOM 1493 CA THR A 107 22.671 -0.825 -4.994 1.00 15.31 C ATOM 1494 C THR A 107 21.282 -1.448 -4.616 1.00 14.75 C ATOM 1495 O THR A 107 20.688 -1.070 -3.607 1.00 14.91 O ATOM 1496 CB THR A 107 23.751 -1.443 -4.042 1.00 17.23 C ATOM 1497 OG1 THR A 107 25.051 -1.125 -4.561 1.00 20.84 O ATOM 1498 CG2 THR A 107 23.653 -2.955 -3.979 1.00 19.68 C ATOM 1499 HA THR A 107 22.851 -1.051 -6.045 1.00 0.00 H ATOM 1500 HB THR A 107 23.588 -1.033 -3.045 1.00 0.00 H ATOM 1501 HG1 THR A 107 25.745 -1.510 -3.969 1.00 0.00 H ATOM 1502 HG23 THR A 107 22.676 -3.239 -3.588 1.00 0.00 H ATOM 1503 HG21 THR A 107 23.779 -3.368 -4.980 1.00 0.00 H ATOM 1504 HG22 THR A 107 24.434 -3.341 -3.324 1.00 0.00 H ATOM 1505 H THR A 107 22.572 1.009 -3.910 1.00 0.00 H ATOM 1506 N VAL A 108 20.720 -2.338 -5.422 1.00 13.58 N ATOM 1507 CA VAL A 108 19.411 -2.949 -5.158 1.00 14.21 C ATOM 1508 C VAL A 108 19.495 -3.941 -4.004 1.00 13.86 C ATOM 1509 O VAL A 108 20.343 -4.815 -4.002 1.00 15.93 O ATOM 1510 CB VAL A 108 18.839 -3.604 -6.440 1.00 14.37 C ATOM 1511 CG1 VAL A 108 17.569 -4.304 -6.168 1.00 13.90 C ATOM 1512 CG2 VAL A 108 18.707 -2.571 -7.553 1.00 14.72 C ATOM 1513 HA VAL A 108 18.720 -2.161 -4.858 1.00 0.00 H ATOM 1514 HB VAL A 108 19.541 -4.364 -6.782 1.00 0.00 H ATOM 1515 HG11 VAL A 108 17.738 -5.085 -5.426 1.00 0.00 H ATOM 1516 HG12 VAL A 108 16.837 -3.591 -5.787 1.00 0.00 H ATOM 1517 HG13 VAL A 108 17.197 -4.751 -7.090 1.00 0.00 H ATOM 1518 HG21 VAL A 108 18.035 -1.775 -7.231 1.00 0.00 H ATOM 1519 HG22 VAL A 108 19.688 -2.152 -7.776 1.00 0.00 H ATOM 1520 HG23 VAL A 108 18.304 -3.050 -8.445 1.00 0.00 H ATOM 1521 H VAL A 108 21.231 -2.617 -6.284 1.00 0.00 H ATOM 1522 N GLY A 109 18.657 -3.766 -2.988 1.00 13.03 N ATOM 1523 CA GLY A 109 18.654 -4.612 -1.810 1.00 13.06 C ATOM 1524 C GLY A 109 17.462 -5.547 -1.749 1.00 12.59 C ATOM 1525 O GLY A 109 17.478 -6.565 -1.028 1.00 15.34 O ATOM 1526 HA3 GLY A 109 18.641 -3.975 -0.926 1.00 0.00 H ATOM 1527 HA2 GLY A 109 19.565 -5.211 -1.811 1.00 0.00 H ATOM 1528 H GLY A 109 17.971 -2.986 -3.040 1.00 0.00 H ATOM 1529 N ALA A 110 16.369 -5.195 -2.442 1.00 12.62 N ATOM 1530 CA ALA A 110 15.138 -5.949 -2.406 1.00 11.46 C ATOM 1531 C ALA A 110 14.284 -5.600 -3.603 1.00 11.25 C ATOM 1532 O ALA A 110 14.471 -4.541 -4.198 1.00 11.86 O ATOM 1533 CB ALA A 110 14.332 -5.611 -1.122 1.00 12.13 C ATOM 1534 HA ALA A 110 15.391 -7.009 -2.417 1.00 0.00 H ATOM 1535 HB1 ALA A 110 14.928 -5.861 -0.244 1.00 0.00 H ATOM 1536 HB2 ALA A 110 14.097 -4.547 -1.112 1.00 0.00 H ATOM 1537 HB3 ALA A 110 13.408 -6.189 -1.112 1.00 0.00 H ATOM 1538 H ALA A 110 16.410 -4.340 -3.032 1.00 0.00 H ATOM 1539 N THR A 111 13.359 -6.476 -3.940 1.00 11.28 N ATOM 1540 CA THR A 111 12.337 -6.163 -4.948 1.00 11.32 C ATOM 1541 C THR A 111 10.964 -6.551 -4.406 1.00 10.32 C ATOM 1542 O THR A 111 10.845 -7.488 -3.615 1.00 12.73 O ATOM 1543 CB THR A 111 12.574 -6.856 -6.318 1.00 13.30 C ATOM 1544 OG1 THR A 111 12.565 -8.258 -6.095 1.00 15.33 O ATOM 1545 CG2 THR A 111 13.884 -6.397 -6.921 1.00 14.59 C ATOM 1546 HA THR A 111 12.397 -5.091 -5.135 1.00 0.00 H ATOM 1547 HB THR A 111 11.790 -6.592 -7.028 1.00 0.00 H ATOM 1548 HG1 THR A 111 12.714 -8.728 -6.953 1.00 0.00 H ATOM 1549 HG23 THR A 111 13.853 -5.319 -7.077 1.00 0.00 H ATOM 1550 HG21 THR A 111 14.701 -6.644 -6.243 1.00 0.00 H ATOM 1551 HG22 THR A 111 14.039 -6.899 -7.876 1.00 0.00 H ATOM 1552 H THR A 111 13.352 -7.410 -3.482 1.00 0.00 H ATOM 1553 N ILE A 112 9.924 -5.841 -4.824 1.00 9.88 N ATOM 1554 CA ILE A 112 8.536 -6.188 -4.488 1.00 9.00 C ATOM 1555 C ILE A 112 7.730 -6.229 -5.764 1.00 10.46 C ATOM 1556 O ILE A 112 8.102 -5.598 -6.761 1.00 10.65 O ATOM 1557 CB ILE A 112 7.902 -5.176 -3.453 1.00 8.92 C ATOM 1558 CG1 ILE A 112 7.576 -3.819 -4.085 1.00 8.89 C ATOM 1559 CG2 ILE A 112 8.801 -5.027 -2.241 1.00 10.07 C ATOM 1560 CD1 ILE A 112 6.760 -2.873 -3.172 1.00 8.63 C ATOM 1561 HA ILE A 112 8.525 -7.166 -4.006 1.00 0.00 H ATOM 1562 HB ILE A 112 6.950 -5.595 -3.126 1.00 0.00 H ATOM 1563 HG12 ILE A 112 8.514 -3.325 -4.338 1.00 0.00 H ATOM 1564 HG13 ILE A 112 7.003 -3.995 -4.995 1.00 0.00 H ATOM 1565 HD11 ILE A 112 5.811 -3.345 -2.918 1.00 0.00 H ATOM 1566 HD12 ILE A 112 7.324 -2.675 -2.260 1.00 0.00 H ATOM 1567 HD13 ILE A 112 6.573 -1.936 -3.696 1.00 0.00 H ATOM 1568 HG21 ILE A 112 8.924 -5.997 -1.760 1.00 0.00 H ATOM 1569 HG22 ILE A 112 9.774 -4.650 -2.556 1.00 0.00 H ATOM 1570 HG23 ILE A 112 8.349 -4.327 -1.539 1.00 0.00 H ATOM 1571 H ILE A 112 10.099 -5.003 -5.415 1.00 0.00 H ATOM 1572 N THR A 113 6.602 -6.944 -5.733 1.00 10.37 N ATOM 1573 CA THR A 113 5.730 -7.081 -6.894 1.00 11.97 C ATOM 1574 C THR A 113 4.386 -6.363 -6.780 1.00 9.70 C ATOM 1575 O THR A 113 3.692 -6.245 -7.787 1.00 10.88 O ATOM 1576 CB THR A 113 5.441 -8.575 -7.205 1.00 13.80 C ATOM 1577 OG1 THR A 113 4.856 -9.189 -6.055 1.00 17.43 O ATOM 1578 CG2 THR A 113 6.731 -9.365 -7.558 1.00 18.08 C ATOM 1579 HA THR A 113 6.291 -6.604 -7.698 1.00 0.00 H ATOM 1580 HB THR A 113 4.770 -8.601 -8.064 1.00 0.00 H ATOM 1581 HG1 THR A 113 4.670 -10.142 -6.250 1.00 0.00 H ATOM 1582 HG23 THR A 113 7.201 -8.918 -8.434 1.00 0.00 H ATOM 1583 HG21 THR A 113 7.421 -9.327 -6.715 1.00 0.00 H ATOM 1584 HG22 THR A 113 6.473 -10.402 -7.771 1.00 0.00 H ATOM 1585 H THR A 113 6.336 -7.421 -4.848 1.00 0.00 H ATOM 1586 N GLY A 114 4.004 -5.891 -5.596 1.00 9.02 N ATOM 1587 CA GLY A 114 2.715 -5.211 -5.428 1.00 9.27 C ATOM 1588 C GLY A 114 2.524 -4.922 -3.951 1.00 7.35 C ATOM 1589 O GLY A 114 3.459 -4.926 -3.167 1.00 7.98 O ATOM 1590 HA3 GLY A 114 1.909 -5.852 -5.787 1.00 0.00 H ATOM 1591 HA2 GLY A 114 2.713 -4.278 -5.991 1.00 0.00 H ATOM 1592 H GLY A 114 4.631 -6.006 -4.774 1.00 0.00 H ATOM 1593 N HIS A 115 1.306 -4.604 -3.572 1.00 7.58 N ATOM 1594 CA HIS A 115 0.948 -4.386 -2.187 1.00 6.43 C ATOM 1595 C HIS A 115 -0.521 -4.758 -1.964 1.00 6.76 C ATOM 1596 O HIS A 115 -1.288 -4.887 -2.929 1.00 8.68 O ATOM 1597 CB HIS A 115 1.238 -2.929 -1.762 1.00 6.80 C ATOM 1598 CG HIS A 115 0.216 -1.929 -2.191 1.00 8.24 C ATOM 1599 ND1 HIS A 115 0.124 -1.462 -3.480 1.00 12.16 N ATOM 1600 CD2 HIS A 115 -0.777 -1.336 -1.497 1.00 9.90 C ATOM 1601 CE1 HIS A 115 -0.879 -0.580 -3.531 1.00 12.81 C ATOM 1602 NE2 HIS A 115 -1.478 -0.550 -2.357 1.00 11.67 N ATOM 1603 HA HIS A 115 1.562 -5.030 -1.558 1.00 0.00 H ATOM 1604 HB2 HIS A 115 1.303 -2.901 -0.674 1.00 0.00 H ATOM 1605 HB3 HIS A 115 2.197 -2.637 -2.190 1.00 0.00 H ATOM 1606 HD2 HIS A 115 -0.981 -1.464 -0.434 1.00 0.00 H ATOM 1607 HE1 HIS A 115 -1.156 0.016 -4.400 1.00 0.00 H ATOM 1608 H HIS A 115 0.568 -4.505 -4.298 1.00 0.00 H ATOM 1609 N VAL A 116 -0.873 -4.899 -0.695 1.00 6.27 N ATOM 1610 CA VAL A 116 -2.237 -5.170 -0.256 1.00 7.67 C ATOM 1611 C VAL A 116 -2.682 -4.113 0.775 1.00 6.51 C ATOM 1612 O VAL A 116 -1.871 -3.702 1.605 1.00 7.45 O ATOM 1613 CB VAL A 116 -2.401 -6.604 0.317 1.00 8.01 C ATOM 1614 CG1 VAL A 116 -2.096 -7.648 -0.762 1.00 10.91 C ATOM 1615 CG2 VAL A 116 -1.555 -6.872 1.578 1.00 10.09 C ATOM 1616 HA VAL A 116 -2.881 -5.108 -1.133 1.00 0.00 H ATOM 1617 HB VAL A 116 -3.442 -6.687 0.629 1.00 0.00 H ATOM 1618 HG11 VAL A 116 -2.785 -7.518 -1.597 1.00 0.00 H ATOM 1619 HG12 VAL A 116 -1.071 -7.519 -1.111 1.00 0.00 H ATOM 1620 HG13 VAL A 116 -2.216 -8.647 -0.343 1.00 0.00 H ATOM 1621 HG21 VAL A 116 -0.500 -6.737 1.341 1.00 0.00 H ATOM 1622 HG22 VAL A 116 -1.845 -6.174 2.364 1.00 0.00 H ATOM 1623 HG23 VAL A 116 -1.724 -7.894 1.917 1.00 0.00 H ATOM 1624 H VAL A 116 -0.133 -4.811 0.031 1.00 0.00 H ATOM 1625 N GLU A 117 -3.948 -3.747 0.732 1.00 7.27 N ATOM 1626 CA GLU A 117 -4.551 -2.874 1.728 1.00 7.54 C ATOM 1627 C GLU A 117 -5.502 -3.715 2.546 1.00 8.29 C ATOM 1628 O GLU A 117 -6.453 -4.288 1.989 1.00 11.26 O ATOM 1629 CB GLU A 117 -5.252 -1.663 0.987 1.00 11.09 C ATOM 1630 CG GLU A 117 -4.204 -0.976 0.087 1.00 12.46 C ATOM 1631 CD GLU A 117 -4.640 0.269 -0.724 1.00 14.85 C ATOM 1632 OE1 GLU A 117 -3.806 0.741 -1.621 1.00 14.71 O ATOM 1633 OE2 GLU A 117 -5.751 0.808 -0.454 1.00 17.71 O ATOM 1634 HA GLU A 117 -3.819 -2.438 2.408 1.00 0.00 H ATOM 1635 HB2 GLU A 117 -6.078 -2.031 0.378 1.00 0.00 H ATOM 1636 HB3 GLU A 117 -5.632 -0.952 1.720 1.00 0.00 H ATOM 1637 HG2 GLU A 117 -3.377 -0.671 0.728 1.00 0.00 H ATOM 1638 HG3 GLU A 117 -3.853 -1.721 -0.627 1.00 0.00 H ATOM 1639 H GLU A 117 -4.541 -4.097 -0.047 1.00 0.00 H ATOM 1640 N LEU A 118 -5.246 -3.844 3.847 1.00 8.18 N ATOM 1641 CA LEU A 118 -5.890 -4.853 4.706 1.00 8.24 C ATOM 1642 C LEU A 118 -7.214 -4.334 5.264 1.00 9.00 C ATOM 1643 O LEU A 118 -7.444 -3.125 5.334 1.00 9.06 O ATOM 1644 CB LEU A 118 -4.968 -5.249 5.876 1.00 8.54 C ATOM 1645 CG LEU A 118 -3.727 -6.029 5.470 1.00 9.67 C ATOM 1646 CD1 LEU A 118 -2.902 -6.416 6.686 1.00 13.01 C ATOM 1647 CD2 LEU A 118 -4.041 -7.248 4.553 1.00 12.09 C ATOM 1648 HA LEU A 118 -6.083 -5.730 4.088 1.00 0.00 H ATOM 1649 HB2 LEU A 118 -4.647 -4.337 6.379 1.00 0.00 H ATOM 1650 HB3 LEU A 118 -5.543 -5.862 6.570 1.00 0.00 H ATOM 1651 HG LEU A 118 -3.121 -5.359 4.859 1.00 0.00 H ATOM 1652 HD21 LEU A 118 -4.705 -7.935 5.078 1.00 0.00 H ATOM 1653 HD22 LEU A 118 -4.525 -6.900 3.640 1.00 0.00 H ATOM 1654 HD23 LEU A 118 -3.112 -7.760 4.301 1.00 0.00 H ATOM 1655 HD11 LEU A 118 -2.591 -5.515 7.214 1.00 0.00 H ATOM 1656 HD12 LEU A 118 -3.504 -7.038 7.349 1.00 0.00 H ATOM 1657 HD13 LEU A 118 -2.022 -6.972 6.364 1.00 0.00 H ATOM 1658 H LEU A 118 -4.555 -3.198 4.279 1.00 0.00 H ATOM 1659 N PRO A 119 -8.104 -5.237 5.699 1.00 9.91 N ATOM 1660 CA PRO A 119 -9.392 -4.843 6.282 1.00 10.88 C ATOM 1661 C PRO A 119 -9.219 -3.971 7.510 1.00 10.08 C ATOM 1662 O PRO A 119 -8.232 -4.040 8.259 1.00 9.89 O ATOM 1663 CB PRO A 119 -10.045 -6.178 6.640 1.00 12.25 C ATOM 1664 CG PRO A 119 -9.358 -7.245 5.770 1.00 13.24 C ATOM 1665 CD PRO A 119 -7.963 -6.716 5.614 1.00 11.41 C ATOM 1666 HA PRO A 119 -9.990 -4.243 5.596 1.00 0.00 H ATOM 1667 HD3 PRO A 119 -7.320 -7.087 6.412 1.00 0.00 H ATOM 1668 HD2 PRO A 119 -7.547 -7.007 4.649 1.00 0.00 H ATOM 1669 HG3 PRO A 119 -9.851 -7.338 4.803 1.00 0.00 H ATOM 1670 HG2 PRO A 119 -9.355 -8.214 6.269 1.00 0.00 H ATOM 1671 HB2 PRO A 119 -9.896 -6.400 7.697 1.00 0.00 H ATOM 1672 HB3 PRO A 119 -11.113 -6.146 6.424 1.00 0.00 H ATOM 1673 N GLN A 120 -10.251 -3.205 7.773 1.00 9.96 N ATOM 1674 CA GLN A 120 -10.290 -2.250 8.886 1.00 9.74 C ATOM 1675 C GLN A 120 -10.836 -2.940 10.136 1.00 8.04 C ATOM 1676 O GLN A 120 -11.912 -2.634 10.642 1.00 9.74 O ATOM 1677 CB GLN A 120 -11.110 -1.033 8.493 1.00 10.09 C ATOM 1678 CG GLN A 120 -10.486 -0.275 7.328 1.00 11.59 C ATOM 1679 CD GLN A 120 -11.336 0.865 6.896 1.00 12.87 C ATOM 1680 OE1 GLN A 120 -12.531 0.659 6.550 1.00 16.91 O ATOM 1681 NE2 GLN A 120 -10.792 2.053 6.841 1.00 13.01 N ATOM 1682 HA GLN A 120 -9.283 -1.902 9.117 1.00 0.00 H ATOM 1683 HB2 GLN A 120 -12.109 -1.360 8.205 1.00 0.00 H ATOM 1684 HB3 GLN A 120 -11.181 -0.364 9.351 1.00 0.00 H ATOM 1685 HG2 GLN A 120 -9.512 0.106 7.635 1.00 0.00 H ATOM 1686 HG3 GLN A 120 -10.359 -0.959 6.489 1.00 0.00 H ATOM 1687 HE22 GLN A 120 -9.803 2.186 7.135 1.00 0.00 H ATOM 1688 HE21 GLN A 120 -11.348 2.865 6.504 1.00 0.00 H ATOM 1689 H GLN A 120 -11.087 -3.279 7.159 1.00 0.00 H ATOM 1690 N ASP A 121 -10.049 -3.869 10.660 1.00 8.72 N ATOM 1691 CA ASP A 121 -10.468 -4.761 11.724 1.00 8.97 C ATOM 1692 C ASP A 121 -9.239 -5.329 12.395 1.00 8.44 C ATOM 1693 O ASP A 121 -8.412 -5.947 11.726 1.00 7.88 O ATOM 1694 CB ASP A 121 -11.363 -5.843 11.139 1.00 10.35 C ATOM 1695 CG ASP A 121 -11.894 -6.809 12.152 1.00 12.20 C ATOM 1696 OD1 ASP A 121 -11.158 -7.428 12.906 1.00 12.57 O ATOM 1697 OD2 ASP A 121 -13.117 -7.036 12.177 1.00 21.12 O ATOM 1698 HA ASP A 121 -11.045 -4.231 12.481 1.00 0.00 H ATOM 1699 HB2 ASP A 121 -12.209 -5.361 10.649 1.00 0.00 H ATOM 1700 HB3 ASP A 121 -10.788 -6.402 10.401 1.00 0.00 H ATOM 1701 H ASP A 121 -9.082 -3.963 10.289 1.00 0.00 H ATOM 1702 N GLU A 122 -9.073 -5.073 13.680 1.00 8.28 N ATOM 1703 CA GLU A 122 -7.848 -5.441 14.381 1.00 7.53 C ATOM 1704 C GLU A 122 -7.630 -6.962 14.390 1.00 7.70 C ATOM 1705 O GLU A 122 -6.498 -7.412 14.254 1.00 8.03 O ATOM 1706 CB GLU A 122 -7.837 -4.875 15.773 1.00 8.14 C ATOM 1707 CG GLU A 122 -7.672 -3.414 15.849 1.00 9.36 C ATOM 1708 CD GLU A 122 -7.727 -2.928 17.262 1.00 7.52 C ATOM 1709 OE1 GLU A 122 -6.666 -2.849 17.942 1.00 7.06 O ATOM 1710 OE2 GLU A 122 -8.851 -2.543 17.681 1.00 9.68 O ATOM 1711 HA GLU A 122 -7.012 -5.004 13.834 1.00 0.00 H ATOM 1712 HB2 GLU A 122 -8.782 -5.134 16.251 1.00 0.00 H ATOM 1713 HB3 GLU A 122 -7.015 -5.337 16.320 1.00 0.00 H ATOM 1714 HG2 GLU A 122 -6.708 -3.143 15.419 1.00 0.00 H ATOM 1715 HG3 GLU A 122 -8.469 -2.937 15.279 1.00 0.00 H ATOM 1716 H GLU A 122 -9.834 -4.597 14.205 1.00 0.00 H ATOM 1717 N ALA A 123 -8.697 -7.755 14.585 1.00 8.87 N ATOM 1718 CA ALA A 123 -8.530 -9.187 14.596 1.00 8.98 C ATOM 1719 C ALA A 123 -8.050 -9.672 13.216 1.00 8.09 C ATOM 1720 O ALA A 123 -7.255 -10.580 13.110 1.00 8.81 O ATOM 1721 CB ALA A 123 -9.842 -9.893 15.038 1.00 10.30 C ATOM 1722 HA ALA A 123 -7.766 -9.451 15.327 1.00 0.00 H ATOM 1723 HB1 ALA A 123 -10.111 -9.563 16.041 1.00 0.00 H ATOM 1724 HB2 ALA A 123 -10.642 -9.638 14.343 1.00 0.00 H ATOM 1725 HB3 ALA A 123 -9.690 -10.972 15.038 1.00 0.00 H ATOM 1726 H ALA A 123 -9.639 -7.338 14.727 1.00 0.00 H ATOM 1727 N GLN A 124 -8.618 -9.096 12.167 1.00 7.58 N ATOM 1728 CA GLN A 124 -8.248 -9.488 10.797 1.00 7.67 C ATOM 1729 C GLN A 124 -6.801 -9.100 10.485 1.00 7.28 C ATOM 1730 O GLN A 124 -6.079 -9.876 9.816 1.00 7.03 O ATOM 1731 CB GLN A 124 -9.205 -8.897 9.777 1.00 8.01 C ATOM 1732 CG GLN A 124 -10.672 -9.363 9.959 1.00 9.72 C ATOM 1733 CD GLN A 124 -11.566 -8.826 8.875 1.00 10.62 C ATOM 1734 OE1 GLN A 124 -11.195 -8.834 7.713 1.00 11.84 O ATOM 1735 NE2 GLN A 124 -12.776 -8.380 9.223 1.00 14.92 N ATOM 1736 HA GLN A 124 -8.324 -10.573 10.731 1.00 0.00 H ATOM 1737 HB2 GLN A 124 -9.175 -7.811 9.865 1.00 0.00 H ATOM 1738 HB3 GLN A 124 -8.871 -9.189 8.781 1.00 0.00 H ATOM 1739 HG2 GLN A 124 -10.702 -10.452 9.935 1.00 0.00 H ATOM 1740 HG3 GLN A 124 -11.037 -9.012 10.924 1.00 0.00 H ATOM 1741 HE22 GLN A 124 -13.065 -8.385 10.222 1.00 0.00 H ATOM 1742 HE21 GLN A 124 -13.429 -8.027 8.495 1.00 0.00 H ATOM 1743 H GLN A 124 -9.335 -8.357 12.313 1.00 0.00 H ATOM 1744 N ILE A 125 -6.362 -7.917 10.929 1.00 6.65 N ATOM 1745 CA ILE A 125 -4.979 -7.489 10.737 1.00 6.35 C ATOM 1746 C ILE A 125 -4.035 -8.431 11.494 1.00 5.92 C ATOM 1747 O ILE A 125 -3.012 -8.811 10.978 1.00 6.62 O ATOM 1748 CB ILE A 125 -4.794 -6.000 11.116 1.00 6.23 C ATOM 1749 CG1 ILE A 125 -5.590 -5.088 10.169 1.00 6.58 C ATOM 1750 CG2 ILE A 125 -3.340 -5.641 11.137 1.00 7.72 C ATOM 1751 CD1 ILE A 125 -5.887 -3.705 10.798 1.00 7.64 C ATOM 1752 HA ILE A 125 -4.722 -7.556 9.680 1.00 0.00 H ATOM 1753 HB ILE A 125 -5.189 -5.847 12.120 1.00 0.00 H ATOM 1754 HG12 ILE A 125 -5.013 -4.942 9.256 1.00 0.00 H ATOM 1755 HG13 ILE A 125 -6.535 -5.574 9.926 1.00 0.00 H ATOM 1756 HD11 ILE A 125 -6.471 -3.839 11.709 1.00 0.00 H ATOM 1757 HD12 ILE A 125 -4.948 -3.207 11.037 1.00 0.00 H ATOM 1758 HD13 ILE A 125 -6.451 -3.099 10.089 1.00 0.00 H ATOM 1759 HG21 ILE A 125 -2.825 -6.261 11.871 1.00 0.00 H ATOM 1760 HG22 ILE A 125 -2.911 -5.812 10.150 1.00 0.00 H ATOM 1761 HG23 ILE A 125 -3.230 -4.590 11.405 1.00 0.00 H ATOM 1762 H ILE A 125 -7.023 -7.285 11.424 1.00 0.00 H ATOM 1763 N ALA A 126 -4.383 -8.753 12.734 1.00 6.55 N ATOM 1764 CA ALA A 126 -3.566 -9.646 13.533 1.00 6.65 C ATOM 1765 C ALA A 126 -3.417 -11.011 12.882 1.00 6.82 C ATOM 1766 O ALA A 126 -2.332 -11.588 12.894 1.00 7.20 O ATOM 1767 CB ALA A 126 -4.162 -9.803 14.964 1.00 7.83 C ATOM 1768 HA ALA A 126 -2.575 -9.198 13.604 1.00 0.00 H ATOM 1769 HB1 ALA A 126 -4.199 -8.828 15.450 1.00 0.00 H ATOM 1770 HB2 ALA A 126 -5.169 -10.214 14.894 1.00 0.00 H ATOM 1771 HB3 ALA A 126 -3.533 -10.477 15.546 1.00 0.00 H ATOM 1772 H ALA A 126 -5.256 -8.358 13.139 1.00 0.00 H ATOM 1773 N ALA A 127 -4.519 -11.564 12.363 1.00 6.76 N ATOM 1774 CA ALA A 127 -4.472 -12.857 11.724 1.00 7.04 C ATOM 1775 C ALA A 127 -3.552 -12.835 10.503 1.00 6.50 C ATOM 1776 O ALA A 127 -2.809 -13.792 10.253 1.00 7.44 O ATOM 1777 CB ALA A 127 -5.919 -13.294 11.284 1.00 8.17 C ATOM 1778 HA ALA A 127 -4.076 -13.574 12.443 1.00 0.00 H ATOM 1779 HB1 ALA A 127 -6.563 -13.351 12.162 1.00 0.00 H ATOM 1780 HB2 ALA A 127 -6.321 -12.562 10.584 1.00 0.00 H ATOM 1781 HB3 ALA A 127 -5.872 -14.271 10.803 1.00 0.00 H ATOM 1782 H ALA A 127 -5.424 -11.054 12.421 1.00 0.00 H ATOM 1783 N TRP A 128 -3.575 -11.730 9.741 1.00 5.97 N ATOM 1784 CA TRP A 128 -2.710 -11.612 8.572 1.00 5.62 C ATOM 1785 C TRP A 128 -1.240 -11.505 9.002 1.00 5.58 C ATOM 1786 O TRP A 128 -0.387 -12.210 8.444 1.00 6.45 O ATOM 1787 CB TRP A 128 -3.131 -10.374 7.756 1.00 6.07 C ATOM 1788 CG TRP A 128 -2.591 -10.353 6.365 1.00 6.13 C ATOM 1789 CD1 TRP A 128 -3.249 -10.686 5.224 1.00 5.77 C ATOM 1790 CD2 TRP A 128 -1.304 -9.807 5.948 1.00 5.87 C ATOM 1791 NE1 TRP A 128 -2.441 -10.478 4.113 1.00 6.62 N ATOM 1792 CE2 TRP A 128 -1.243 -9.935 4.529 1.00 5.85 C ATOM 1793 CE3 TRP A 128 -0.189 -9.262 6.641 1.00 7.11 C ATOM 1794 CZ2 TRP A 128 -0.112 -9.536 3.790 1.00 7.56 C ATOM 1795 CZ3 TRP A 128 0.923 -8.885 5.908 1.00 7.68 C ATOM 1796 CH2 TRP A 128 0.939 -9.039 4.495 1.00 7.77 C ATOM 1797 HA TRP A 128 -2.813 -12.502 7.952 1.00 0.00 H ATOM 1798 HB2 TRP A 128 -4.219 -10.352 7.702 1.00 0.00 H ATOM 1799 HB3 TRP A 128 -2.776 -9.484 8.275 1.00 0.00 H ATOM 1800 HE1 TRP A 128 -2.697 -10.696 3.129 1.00 0.00 H ATOM 1801 HD1 TRP A 128 -4.270 -11.064 5.185 1.00 0.00 H ATOM 1802 HZ2 TRP A 128 -0.081 -9.622 2.704 1.00 0.00 H ATOM 1803 HH2 TRP A 128 1.836 -8.745 3.951 1.00 0.00 H ATOM 1804 HZ3 TRP A 128 1.792 -8.468 6.417 1.00 0.00 H ATOM 1805 HE3 TRP A 128 -0.209 -9.144 7.724 1.00 0.00 H ATOM 1806 H TRP A 128 -4.217 -10.949 9.987 1.00 0.00 H ATOM 1807 N LEU A 129 -0.975 -10.667 9.992 1.00 5.82 N ATOM 1808 CA LEU A 129 0.354 -10.482 10.537 1.00 5.92 C ATOM 1809 C LEU A 129 0.935 -11.745 11.123 1.00 6.15 C ATOM 1810 O LEU A 129 2.121 -12.019 10.938 1.00 6.32 O ATOM 1811 CB LEU A 129 0.326 -9.322 11.560 1.00 6.32 C ATOM 1812 CG LEU A 129 1.655 -9.050 12.305 1.00 5.89 C ATOM 1813 CD1 LEU A 129 1.747 -7.562 12.620 1.00 7.36 C ATOM 1814 CD2 LEU A 129 1.810 -9.863 13.585 1.00 7.22 C ATOM 1815 HA LEU A 129 1.024 -10.220 9.718 1.00 0.00 H ATOM 1816 HB2 LEU A 129 0.048 -8.412 11.027 1.00 0.00 H ATOM 1817 HB3 LEU A 129 -0.435 -9.551 12.306 1.00 0.00 H ATOM 1818 HG LEU A 129 2.466 -9.361 11.647 1.00 0.00 H ATOM 1819 HD21 LEU A 129 0.996 -9.621 14.268 1.00 0.00 H ATOM 1820 HD22 LEU A 129 1.781 -10.926 13.345 1.00 0.00 H ATOM 1821 HD23 LEU A 129 2.764 -9.621 14.054 1.00 0.00 H ATOM 1822 HD11 LEU A 129 1.721 -6.993 11.691 1.00 0.00 H ATOM 1823 HD12 LEU A 129 0.905 -7.272 13.249 1.00 0.00 H ATOM 1824 HD13 LEU A 129 2.681 -7.360 13.145 1.00 0.00 H ATOM 1825 H LEU A 129 -1.758 -10.116 10.397 1.00 0.00 H ATOM 1826 N ALA A 130 0.111 -12.584 11.746 1.00 6.48 N ATOM 1827 CA ALA A 130 0.614 -13.803 12.376 1.00 7.17 C ATOM 1828 C ALA A 130 1.264 -14.722 11.355 1.00 6.52 C ATOM 1829 O ALA A 130 2.185 -15.467 11.699 1.00 8.63 O ATOM 1830 CB ALA A 130 -0.553 -14.540 13.097 1.00 9.03 C ATOM 1831 HA ALA A 130 1.374 -13.525 13.106 1.00 0.00 H ATOM 1832 HB1 ALA A 130 -0.978 -13.887 13.859 1.00 0.00 H ATOM 1833 HB2 ALA A 130 -1.322 -14.799 12.369 1.00 0.00 H ATOM 1834 HB3 ALA A 130 -0.173 -15.448 13.565 1.00 0.00 H ATOM 1835 H ALA A 130 -0.906 -12.369 11.785 1.00 0.00 H ATOM 1836 N VAL A 131 0.731 -14.747 10.128 1.00 6.75 N ATOM 1837 CA VAL A 131 1.298 -15.613 9.073 1.00 6.91 C ATOM 1838 C VAL A 131 2.284 -14.881 8.175 1.00 6.47 C ATOM 1839 O VAL A 131 3.326 -15.418 7.845 1.00 8.33 O ATOM 1840 CB VAL A 131 0.167 -16.260 8.247 1.00 8.00 C ATOM 1841 CG1 VAL A 131 0.613 -16.996 6.987 1.00 8.16 C ATOM 1842 CG2 VAL A 131 -0.658 -17.248 9.135 1.00 8.33 C ATOM 1843 HA VAL A 131 1.866 -16.398 9.572 1.00 0.00 H ATOM 1844 HB VAL A 131 -0.437 -15.417 7.910 1.00 0.00 H ATOM 1845 HG11 VAL A 131 1.121 -16.299 6.321 1.00 0.00 H ATOM 1846 HG12 VAL A 131 1.295 -17.801 7.260 1.00 0.00 H ATOM 1847 HG13 VAL A 131 -0.259 -17.412 6.483 1.00 0.00 H ATOM 1848 HG21 VAL A 131 -0.000 -18.031 9.513 1.00 0.00 H ATOM 1849 HG22 VAL A 131 -1.095 -16.704 9.972 1.00 0.00 H ATOM 1850 HG23 VAL A 131 -1.452 -17.696 8.537 1.00 0.00 H ATOM 1851 H VAL A 131 -0.093 -14.149 9.914 1.00 0.00 H ATOM 1852 N ASN A 132 1.904 -13.663 7.751 1.00 6.11 N ATOM 1853 CA ASN A 132 2.638 -12.957 6.689 1.00 5.85 C ATOM 1854 C ASN A 132 3.631 -11.895 7.143 1.00 5.27 C ATOM 1855 O ASN A 132 4.365 -11.375 6.305 1.00 7.23 O ATOM 1856 CB ASN A 132 1.624 -12.330 5.713 1.00 6.06 C ATOM 1857 CG ASN A 132 0.699 -13.375 5.106 1.00 6.46 C ATOM 1858 OD1 ASN A 132 1.175 -14.327 4.443 1.00 6.80 O ATOM 1859 ND2 ASN A 132 -0.593 -13.230 5.363 1.00 6.68 N ATOM 1860 HA ASN A 132 3.256 -13.721 6.216 1.00 0.00 H ATOM 1861 HB2 ASN A 132 1.023 -11.597 6.252 1.00 0.00 H ATOM 1862 HB3 ASN A 132 2.168 -11.832 4.911 1.00 0.00 H ATOM 1863 HD22 ASN A 132 -0.924 -12.417 5.920 1.00 0.00 H ATOM 1864 HD21 ASN A 132 -1.276 -13.930 5.008 1.00 0.00 H ATOM 1865 H ASN A 132 1.073 -13.210 8.183 1.00 0.00 H ATOM 1866 N GLY A 133 3.627 -11.551 8.416 1.00 6.43 N ATOM 1867 CA GLY A 133 4.631 -10.620 8.928 1.00 5.80 C ATOM 1868 C GLY A 133 4.171 -9.194 9.172 1.00 5.31 C ATOM 1869 O GLY A 133 2.973 -8.893 9.087 1.00 5.36 O ATOM 1870 HA3 GLY A 133 5.449 -10.586 8.208 1.00 0.00 H ATOM 1871 HA2 GLY A 133 4.998 -11.016 9.875 1.00 0.00 H ATOM 1872 H GLY A 133 2.908 -11.943 9.057 1.00 0.00 H ATOM 1873 N PRO A 134 5.136 -8.357 9.544 1.00 4.63 N ATOM 1874 CA PRO A 134 4.850 -6.959 9.939 1.00 4.58 C ATOM 1875 C PRO A 134 4.061 -6.186 8.878 1.00 4.86 C ATOM 1876 O PRO A 134 4.265 -6.353 7.664 1.00 5.29 O ATOM 1877 CB PRO A 134 6.232 -6.394 10.207 1.00 5.59 C ATOM 1878 CG PRO A 134 7.001 -7.596 10.733 1.00 5.23 C ATOM 1879 CD PRO A 134 6.529 -8.711 9.804 1.00 5.24 C ATOM 1880 HA PRO A 134 4.196 -6.885 10.808 1.00 0.00 H ATOM 1881 HD3 PRO A 134 7.109 -8.724 8.881 1.00 0.00 H ATOM 1882 HD2 PRO A 134 6.602 -9.684 10.291 1.00 0.00 H ATOM 1883 HG3 PRO A 134 6.742 -7.809 11.770 1.00 0.00 H ATOM 1884 HG2 PRO A 134 8.077 -7.443 10.653 1.00 0.00 H ATOM 1885 HB2 PRO A 134 6.683 -6.011 9.291 1.00 0.00 H ATOM 1886 HB3 PRO A 134 6.192 -5.599 10.951 1.00 0.00 H ATOM 1887 N VAL A 135 3.241 -5.255 9.378 1.00 4.26 N ATOM 1888 CA VAL A 135 2.240 -4.527 8.608 1.00 4.98 C ATOM 1889 C VAL A 135 2.428 -3.014 8.839 1.00 4.99 C ATOM 1890 O VAL A 135 2.526 -2.546 9.976 1.00 4.64 O ATOM 1891 CB VAL A 135 0.822 -4.951 9.078 1.00 5.45 C ATOM 1892 CG1 VAL A 135 -0.295 -4.043 8.485 1.00 6.28 C ATOM 1893 CG2 VAL A 135 0.546 -6.415 8.757 1.00 5.54 C ATOM 1894 HA VAL A 135 2.353 -4.753 7.548 1.00 0.00 H ATOM 1895 HB VAL A 135 0.804 -4.825 10.161 1.00 0.00 H ATOM 1896 HG11 VAL A 135 -0.129 -3.013 8.800 1.00 0.00 H ATOM 1897 HG12 VAL A 135 -0.269 -4.101 7.397 1.00 0.00 H ATOM 1898 HG13 VAL A 135 -1.266 -4.382 8.845 1.00 0.00 H ATOM 1899 HG21 VAL A 135 0.615 -6.569 7.680 1.00 0.00 H ATOM 1900 HG22 VAL A 135 1.281 -7.041 9.263 1.00 0.00 H ATOM 1901 HG23 VAL A 135 -0.455 -6.678 9.099 1.00 0.00 H ATOM 1902 H VAL A 135 3.324 -5.034 10.391 1.00 0.00 H ATOM 1903 N ALA A 136 2.461 -2.236 7.738 1.00 4.63 N ATOM 1904 CA ALA A 136 2.523 -0.777 7.806 1.00 4.00 C ATOM 1905 C ALA A 136 1.115 -0.243 8.218 1.00 4.72 C ATOM 1906 O ALA A 136 0.097 -0.682 7.676 1.00 5.26 O ATOM 1907 CB ALA A 136 2.909 -0.202 6.435 1.00 5.19 C ATOM 1908 HA ALA A 136 3.273 -0.472 8.536 1.00 0.00 H ATOM 1909 HB1 ALA A 136 3.885 -0.589 6.142 1.00 0.00 H ATOM 1910 HB2 ALA A 136 2.163 -0.495 5.696 1.00 0.00 H ATOM 1911 HB3 ALA A 136 2.952 0.885 6.498 1.00 0.00 H ATOM 1912 H ALA A 136 2.442 -2.692 6.804 1.00 0.00 H ATOM 1913 N VAL A 137 1.097 0.700 9.169 1.00 4.51 N ATOM 1914 CA VAL A 137 -0.161 1.286 9.632 1.00 5.16 C ATOM 1915 C VAL A 137 -0.020 2.795 9.791 1.00 4.27 C ATOM 1916 O VAL A 137 1.019 3.286 10.193 1.00 5.39 O ATOM 1917 CB VAL A 137 -0.682 0.678 10.963 1.00 5.07 C ATOM 1918 CG1 VAL A 137 -1.152 -0.758 10.776 1.00 6.02 C ATOM 1919 CG2 VAL A 137 0.315 0.800 12.106 1.00 5.56 C ATOM 1920 HA VAL A 137 -0.897 1.050 8.863 1.00 0.00 H ATOM 1921 HB VAL A 137 -1.546 1.276 11.253 1.00 0.00 H ATOM 1922 HG11 VAL A 137 -1.961 -0.782 10.046 1.00 0.00 H ATOM 1923 HG12 VAL A 137 -0.321 -1.367 10.420 1.00 0.00 H ATOM 1924 HG13 VAL A 137 -1.509 -1.149 11.729 1.00 0.00 H ATOM 1925 HG21 VAL A 137 1.235 0.278 11.842 1.00 0.00 H ATOM 1926 HG22 VAL A 137 0.532 1.853 12.286 1.00 0.00 H ATOM 1927 HG23 VAL A 137 -0.110 0.356 13.006 1.00 0.00 H ATOM 1928 H VAL A 137 1.994 1.022 9.586 1.00 0.00 H ATOM 1929 N ALA A 138 -1.102 3.519 9.523 1.00 5.07 N ATOM 1930 CA ALA A 138 -1.280 4.889 9.944 1.00 5.34 C ATOM 1931 C ALA A 138 -1.942 4.904 11.339 1.00 5.90 C ATOM 1932 O ALA A 138 -2.829 4.123 11.653 1.00 6.58 O ATOM 1933 CB ALA A 138 -2.127 5.683 8.916 1.00 7.25 C ATOM 1934 HA ALA A 138 -0.307 5.377 10.002 1.00 0.00 H ATOM 1935 HB1 ALA A 138 -1.623 5.677 7.950 1.00 0.00 H ATOM 1936 HB2 ALA A 138 -3.108 5.217 8.818 1.00 0.00 H ATOM 1937 HB3 ALA A 138 -2.244 6.711 9.260 1.00 0.00 H ATOM 1938 H ALA A 138 -1.866 3.072 8.977 1.00 0.00 H ATOM 1939 N VAL A 139 -1.557 5.921 12.126 1.00 6.19 N ATOM 1940 CA VAL A 139 -2.125 6.104 13.455 1.00 6.14 C ATOM 1941 C VAL A 139 -2.259 7.598 13.741 1.00 5.84 C ATOM 1942 O VAL A 139 -1.653 8.436 13.079 1.00 7.40 O ATOM 1943 CB VAL A 139 -1.180 5.463 14.568 1.00 6.37 C ATOM 1944 CG1 VAL A 139 -1.140 3.972 14.446 1.00 6.90 C ATOM 1945 CG2 VAL A 139 0.213 6.067 14.543 1.00 7.56 C ATOM 1946 HA VAL A 139 -3.098 5.614 13.484 1.00 0.00 H ATOM 1947 HB VAL A 139 -1.609 5.703 15.541 1.00 0.00 H ATOM 1948 HG11 VAL A 139 -2.146 3.572 14.569 1.00 0.00 H ATOM 1949 HG12 VAL A 139 -0.757 3.699 13.463 1.00 0.00 H ATOM 1950 HG13 VAL A 139 -0.488 3.563 15.218 1.00 0.00 H ATOM 1951 HG21 VAL A 139 0.666 5.892 13.567 1.00 0.00 H ATOM 1952 HG22 VAL A 139 0.146 7.139 14.727 1.00 0.00 H ATOM 1953 HG23 VAL A 139 0.823 5.602 15.317 1.00 0.00 H ATOM 1954 H VAL A 139 -0.840 6.591 11.781 1.00 0.00 H ATOM 1955 N ASP A 140 -3.048 7.903 14.764 1.00 6.59 N ATOM 1956 CA ASP A 140 -3.000 9.208 15.441 1.00 7.77 C ATOM 1957 C ASP A 140 -1.961 9.092 16.537 1.00 6.43 C ATOM 1958 O ASP A 140 -2.176 8.387 17.547 1.00 7.21 O ATOM 1959 CB ASP A 140 -4.393 9.553 16.052 1.00 7.31 C ATOM 1960 CG ASP A 140 -4.479 10.948 16.618 1.00 9.15 C ATOM 1961 OD1 ASP A 140 -5.598 11.498 16.739 1.00 9.42 O ATOM 1962 OD2 ASP A 140 -3.408 11.468 17.008 1.00 9.19 O ATOM 1963 HA ASP A 140 -2.743 10.002 14.740 1.00 0.00 H ATOM 1964 HB2 ASP A 140 -5.146 9.451 15.271 1.00 0.00 H ATOM 1965 HB3 ASP A 140 -4.603 8.843 16.852 1.00 0.00 H ATOM 1966 H ASP A 140 -3.727 7.191 15.100 1.00 0.00 H ATOM 1967 N ALA A 141 -0.815 9.732 16.326 1.00 6.85 N ATOM 1968 CA ALA A 141 0.309 9.763 17.266 1.00 7.43 C ATOM 1969 C ALA A 141 0.389 11.122 17.977 1.00 7.91 C ATOM 1970 O ALA A 141 1.409 11.423 18.606 1.00 8.91 O ATOM 1971 CB ALA A 141 1.625 9.466 16.574 1.00 8.76 C ATOM 1972 HA ALA A 141 0.130 8.984 18.007 1.00 0.00 H ATOM 1973 HB1 ALA A 141 1.581 8.475 16.122 1.00 0.00 H ATOM 1974 HB2 ALA A 141 1.803 10.212 15.799 1.00 0.00 H ATOM 1975 HB3 ALA A 141 2.433 9.498 17.304 1.00 0.00 H ATOM 1976 H ALA A 141 -0.708 10.248 15.429 1.00 0.00 H ATOM 1977 N SER A 142 -0.691 11.910 17.965 1.00 8.50 N ATOM 1978 CA SER A 142 -0.625 13.254 18.554 1.00 10.62 C ATOM 1979 C SER A 142 -0.378 13.192 20.043 1.00 10.61 C ATOM 1980 O SER A 142 0.173 14.148 20.601 1.00 13.26 O ATOM 1981 CB SER A 142 -1.918 14.012 18.303 1.00 10.86 C ATOM 1982 OG SER A 142 -3.082 13.411 18.881 1.00 11.28 O ATOM 1983 HA SER A 142 0.207 13.773 18.078 1.00 0.00 H ATOM 1984 HB2 SER A 142 -2.069 14.080 17.226 1.00 0.00 H ATOM 1985 HB3 SER A 142 -1.811 15.014 18.717 1.00 0.00 H ATOM 1986 HG SER A 142 -3.203 12.503 18.507 1.00 0.00 H ATOM 1987 H SER A 142 -1.577 11.572 17.539 1.00 0.00 H ATOM 1988 N SER A 143 -0.759 12.105 20.730 1.00 10.23 N ATOM 1989 CA SER A 143 -0.578 11.946 22.181 1.00 10.52 C ATOM 1990 C SER A 143 0.673 11.138 22.545 1.00 8.82 C ATOM 1991 O SER A 143 0.828 10.782 23.710 1.00 12.48 O ATOM 1992 CB SER A 143 -1.843 11.343 22.776 1.00 11.97 C ATOM 1993 OG SER A 143 -1.984 9.989 22.474 1.00 11.83 O ATOM 1994 HA SER A 143 -0.411 12.932 22.614 1.00 0.00 H ATOM 1995 HB2 SER A 143 -2.705 11.881 22.382 1.00 0.00 H ATOM 1996 HB3 SER A 143 -1.809 11.458 23.859 1.00 0.00 H ATOM 1997 HG SER A 143 -2.024 9.874 21.492 1.00 0.00 H ATOM 1998 H SER A 143 -1.209 11.328 20.205 1.00 0.00 H ATOM 1999 N TRP A 144 1.571 10.901 21.552 1.00 8.72 N ATOM 2000 CA TRP A 144 2.700 9.995 21.773 1.00 9.57 C ATOM 2001 C TRP A 144 3.973 10.642 22.215 1.00 8.71 C ATOM 2002 O TRP A 144 4.923 9.983 22.599 1.00 9.15 O ATOM 2003 CB TRP A 144 3.004 9.203 20.499 1.00 8.22 C ATOM 2004 CG TRP A 144 2.033 8.119 20.134 1.00 7.54 C ATOM 2005 CD1 TRP A 144 0.756 7.929 20.606 1.00 8.28 C ATOM 2006 CD2 TRP A 144 2.273 7.088 19.188 1.00 7.25 C ATOM 2007 NE1 TRP A 144 0.201 6.825 20.004 1.00 7.44 N ATOM 2008 CE2 TRP A 144 1.121 6.292 19.136 1.00 7.29 C ATOM 2009 CE3 TRP A 144 3.368 6.743 18.399 1.00 7.35 C ATOM 2010 CZ2 TRP A 144 1.052 5.163 18.347 1.00 7.49 C ATOM 2011 CZ3 TRP A 144 3.306 5.620 17.617 1.00 8.05 C ATOM 2012 CH2 TRP A 144 2.135 4.846 17.588 1.00 8.42 C ATOM 2013 HA TRP A 144 2.367 9.358 22.593 1.00 0.00 H ATOM 2014 HB2 TRP A 144 3.038 9.910 19.670 1.00 0.00 H ATOM 2015 HB3 TRP A 144 3.984 8.742 20.622 1.00 0.00 H ATOM 2016 HE1 TRP A 144 -0.756 6.455 20.177 1.00 0.00 H ATOM 2017 HD1 TRP A 144 0.259 8.558 21.345 1.00 0.00 H ATOM 2018 HZ2 TRP A 144 0.156 4.543 18.332 1.00 0.00 H ATOM 2019 HH2 TRP A 144 2.093 3.970 16.941 1.00 0.00 H ATOM 2020 HZ3 TRP A 144 4.167 5.327 17.016 1.00 0.00 H ATOM 2021 HE3 TRP A 144 4.266 7.361 18.404 1.00 0.00 H ATOM 2022 H TRP A 144 1.455 11.366 20.629 1.00 0.00 H ATOM 2023 N MET A 145 4.058 11.962 22.170 1.00 10.09 N ATOM 2024 CA MET A 145 5.364 12.596 22.471 1.00 11.14 C ATOM 2025 C MET A 145 5.921 12.294 23.848 1.00 11.65 C ATOM 2026 O MET A 145 7.146 12.135 24.021 1.00 14.78 O ATOM 2027 CB MET A 145 5.295 14.123 22.241 1.00 12.74 C ATOM 2028 CG MET A 145 4.787 14.591 20.919 1.00 20.01 C ATOM 2029 SD MET A 145 5.591 13.853 19.557 1.00 36.90 S ATOM 2030 CE MET A 145 6.976 15.016 19.491 1.00 38.75 C ATOM 2031 HA MET A 145 6.066 12.142 21.771 1.00 0.00 H ATOM 2032 HB2 MET A 145 4.645 14.542 23.009 1.00 0.00 H ATOM 2033 HB3 MET A 145 6.303 14.519 22.364 1.00 0.00 H ATOM 2034 HG2 MET A 145 4.928 15.670 20.858 1.00 0.00 H ATOM 2035 HG3 MET A 145 3.723 14.360 20.857 1.00 0.00 H ATOM 2036 HE1 MET A 145 6.595 16.024 19.324 1.00 0.00 H ATOM 2037 HE2 MET A 145 7.521 14.984 20.434 1.00 0.00 H ATOM 2038 HE3 MET A 145 7.643 14.739 18.675 1.00 0.00 H ATOM 2039 H MET A 145 3.228 12.541 21.929 1.00 0.00 H ATOM 2040 N THR A 146 5.026 12.183 24.831 1.00 9.91 N ATOM 2041 CA THR A 146 5.415 11.983 26.217 1.00 10.73 C ATOM 2042 C THR A 146 5.399 10.514 26.633 1.00 9.30 C ATOM 2043 O THR A 146 5.626 10.203 27.796 1.00 9.61 O ATOM 2044 CB THR A 146 4.462 12.769 27.122 1.00 11.69 C ATOM 2045 OG1 THR A 146 3.152 12.282 26.858 1.00 13.29 O ATOM 2046 CG2 THR A 146 4.540 14.303 26.881 1.00 15.27 C ATOM 2047 HA THR A 146 6.441 12.337 26.320 1.00 0.00 H ATOM 2048 HB THR A 146 4.740 12.622 28.166 1.00 0.00 H ATOM 2049 HG1 THR A 146 2.501 12.766 27.425 1.00 0.00 H ATOM 2050 HG23 THR A 146 5.552 14.651 27.090 1.00 0.00 H ATOM 2051 HG21 THR A 146 4.286 14.520 25.843 1.00 0.00 H ATOM 2052 HG22 THR A 146 3.836 14.810 27.542 1.00 0.00 H ATOM 2053 H THR A 146 4.014 12.242 24.597 1.00 0.00 H ATOM 2054 N TYR A 147 5.132 9.589 25.702 1.00 8.69 N ATOM 2055 CA TYR A 147 5.105 8.157 26.052 1.00 8.24 C ATOM 2056 C TYR A 147 6.509 7.671 26.376 1.00 8.08 C ATOM 2057 O TYR A 147 7.418 7.866 25.535 1.00 9.21 O ATOM 2058 CB TYR A 147 4.543 7.337 24.891 1.00 7.39 C ATOM 2059 CG TYR A 147 4.709 5.834 25.092 1.00 5.93 C ATOM 2060 CD1 TYR A 147 5.754 5.160 24.505 1.00 6.15 C ATOM 2061 CD2 TYR A 147 3.800 5.124 25.860 1.00 6.08 C ATOM 2062 CE1 TYR A 147 5.898 3.788 24.650 1.00 5.84 C ATOM 2063 CE2 TYR A 147 3.909 3.744 25.985 1.00 6.41 C ATOM 2064 CZ TYR A 147 4.957 3.065 25.387 1.00 5.92 C ATOM 2065 OH TYR A 147 5.090 1.696 25.452 1.00 6.51 O ATOM 2066 HA TYR A 147 4.466 8.029 26.925 1.00 0.00 H ATOM 2067 HB3 TYR A 147 5.062 7.626 23.977 1.00 0.00 H ATOM 2068 HB2 TYR A 147 3.481 7.560 24.789 1.00 0.00 H ATOM 2069 HD2 TYR A 147 2.994 5.651 26.370 1.00 0.00 H ATOM 2070 HE2 TYR A 147 3.164 3.192 26.558 1.00 0.00 H ATOM 2071 HE1 TYR A 147 6.743 3.276 24.190 1.00 0.00 H ATOM 2072 HD1 TYR A 147 6.483 5.715 23.914 1.00 0.00 H ATOM 2073 HH TYR A 147 5.166 1.418 26.399 1.00 0.00 H ATOM 2074 H TYR A 147 4.942 9.884 24.723 1.00 0.00 H ATOM 2075 N THR A 148 6.664 6.985 27.509 1.00 8.01 N ATOM 2076 CA THR A 148 7.914 6.394 27.894 1.00 8.79 C ATOM 2077 C THR A 148 7.848 4.867 27.968 1.00 8.61 C ATOM 2078 O THR A 148 8.830 4.216 27.692 1.00 13.31 O ATOM 2079 CB THR A 148 8.534 6.995 29.151 1.00 8.89 C ATOM 2080 OG1 THR A 148 7.597 6.867 30.217 1.00 8.84 O ATOM 2081 CG2 THR A 148 8.962 8.440 28.925 1.00 10.53 C ATOM 2082 HA THR A 148 8.595 6.652 27.083 1.00 0.00 H ATOM 2083 HB THR A 148 9.444 6.455 29.412 1.00 0.00 H ATOM 2084 HG1 THR A 148 7.394 5.909 30.363 1.00 0.00 H ATOM 2085 HG23 THR A 148 9.676 8.482 28.102 1.00 0.00 H ATOM 2086 HG21 THR A 148 8.087 9.043 28.680 1.00 0.00 H ATOM 2087 HG22 THR A 148 9.428 8.826 29.832 1.00 0.00 H ATOM 2088 H THR A 148 5.845 6.874 28.140 1.00 0.00 H ATOM 2089 N GLY A 149 6.707 4.247 28.231 1.00 8.44 N ATOM 2090 CA GLY A 149 6.650 2.828 28.390 1.00 8.84 C ATOM 2091 C GLY A 149 5.330 2.359 28.960 1.00 7.12 C ATOM 2092 O GLY A 149 4.554 3.158 29.482 1.00 9.33 O ATOM 2093 HA3 GLY A 149 7.450 2.519 29.063 1.00 0.00 H ATOM 2094 HA2 GLY A 149 6.795 2.361 27.416 1.00 0.00 H ATOM 2095 H GLY A 149 5.834 4.805 28.324 1.00 0.00 H ATOM 2096 N GLY A 150 5.082 1.046 28.814 1.00 8.13 N ATOM 2097 CA GLY A 150 3.855 0.365 29.214 1.00 8.06 C ATOM 2098 C GLY A 150 2.898 0.245 28.058 1.00 6.61 C ATOM 2099 O GLY A 150 3.205 0.571 26.904 1.00 7.27 O ATOM 2100 HA3 GLY A 150 3.378 0.932 30.014 1.00 0.00 H ATOM 2101 HA2 GLY A 150 4.103 -0.633 29.576 1.00 0.00 H ATOM 2102 H GLY A 150 5.828 0.466 28.379 1.00 0.00 H ATOM 2103 N VAL A 151 1.706 -0.280 28.352 1.00 6.72 N ATOM 2104 CA VAL A 151 0.676 -0.437 27.365 1.00 5.82 C ATOM 2105 C VAL A 151 -0.246 0.771 27.398 1.00 6.48 C ATOM 2106 O VAL A 151 -0.980 1.006 28.379 1.00 7.39 O ATOM 2107 CB VAL A 151 -0.146 -1.731 27.580 1.00 5.76 C ATOM 2108 CG1 VAL A 151 -1.236 -1.840 26.543 1.00 7.60 C ATOM 2109 CG2 VAL A 151 0.766 -2.941 27.494 1.00 7.70 C ATOM 2110 HA VAL A 151 1.158 -0.515 26.391 1.00 0.00 H ATOM 2111 HB VAL A 151 -0.604 -1.693 28.568 1.00 0.00 H ATOM 2112 HG11 VAL A 151 -1.900 -0.979 26.624 1.00 0.00 H ATOM 2113 HG12 VAL A 151 -0.789 -1.864 25.549 1.00 0.00 H ATOM 2114 HG13 VAL A 151 -1.804 -2.755 26.709 1.00 0.00 H ATOM 2115 HG21 VAL A 151 1.236 -2.971 26.511 1.00 0.00 H ATOM 2116 HG22 VAL A 151 1.535 -2.870 28.263 1.00 0.00 H ATOM 2117 HG23 VAL A 151 0.180 -3.847 27.646 1.00 0.00 H ATOM 2118 H VAL A 151 1.518 -0.585 29.328 1.00 0.00 H ATOM 2119 N MET A 152 -0.223 1.584 26.352 1.00 5.91 N ATOM 2120 CA MET A 152 -1.052 2.760 26.298 1.00 6.17 C ATOM 2121 C MET A 152 -2.543 2.413 26.201 1.00 6.02 C ATOM 2122 O MET A 152 -2.969 1.714 25.289 1.00 7.57 O ATOM 2123 CB MET A 152 -0.631 3.675 25.114 1.00 6.96 C ATOM 2124 CG MET A 152 -1.396 4.929 24.975 1.00 8.13 C ATOM 2125 SD MET A 152 -0.840 5.981 23.609 1.00 8.98 S ATOM 2126 CE MET A 152 0.619 6.695 24.293 1.00 11.82 C ATOM 2127 HA MET A 152 -0.903 3.300 27.233 1.00 0.00 H ATOM 2128 HB2 MET A 152 0.419 3.935 25.248 1.00 0.00 H ATOM 2129 HB3 MET A 152 -0.748 3.106 24.192 1.00 0.00 H ATOM 2130 HG2 MET A 152 -1.302 5.493 25.903 1.00 0.00 H ATOM 2131 HG3 MET A 152 -2.443 4.676 24.809 1.00 0.00 H ATOM 2132 HE1 MET A 152 0.361 7.254 25.193 1.00 0.00 H ATOM 2133 HE2 MET A 152 1.325 5.904 24.545 1.00 0.00 H ATOM 2134 HE3 MET A 152 1.070 7.367 23.563 1.00 0.00 H ATOM 2135 H MET A 152 0.407 1.368 25.553 1.00 0.00 H ATOM 2136 N THR A 153 -3.333 3.000 27.121 1.00 6.95 N ATOM 2137 CA THR A 153 -4.768 2.829 27.176 1.00 8.46 C ATOM 2138 C THR A 153 -5.563 4.108 26.819 1.00 8.96 C ATOM 2139 O THR A 153 -6.780 4.045 26.661 1.00 11.69 O ATOM 2140 CB THR A 153 -5.214 2.372 28.562 1.00 8.15 C ATOM 2141 OG1 THR A 153 -4.835 3.431 29.458 1.00 10.01 O ATOM 2142 CG2 THR A 153 -4.606 1.031 28.977 1.00 10.92 C ATOM 2143 HA THR A 153 -4.987 2.071 26.424 1.00 0.00 H ATOM 2144 HB THR A 153 -6.289 2.192 28.578 1.00 0.00 H ATOM 2145 HG1 THR A 153 -5.291 4.268 29.189 1.00 0.00 H ATOM 2146 HG23 THR A 153 -4.918 0.259 28.273 1.00 0.00 H ATOM 2147 HG21 THR A 153 -3.519 1.110 28.974 1.00 0.00 H ATOM 2148 HG22 THR A 153 -4.950 0.772 29.978 1.00 0.00 H ATOM 2149 H THR A 153 -2.885 3.612 27.833 1.00 0.00 H ATOM 2150 N SER A 154 -4.857 5.239 26.732 1.00 9.46 N ATOM 2151 CA SER A 154 -5.390 6.607 26.680 1.00 11.15 C ATOM 2152 C SER A 154 -5.139 7.311 25.320 1.00 10.21 C ATOM 2153 O SER A 154 -5.277 8.515 25.246 1.00 12.08 O ATOM 2154 CB SER A 154 -4.691 7.384 27.867 1.00 11.91 C ATOM 2155 OG SER A 154 -3.239 7.433 27.605 1.00 14.98 O ATOM 2156 HA SER A 154 -6.475 6.592 26.782 1.00 0.00 H ATOM 2157 HB2 SER A 154 -4.878 6.865 28.807 1.00 0.00 H ATOM 2158 HB3 SER A 154 -5.088 8.397 27.928 1.00 0.00 H ATOM 2159 HG SER A 154 -2.884 6.511 27.549 1.00 0.00 H ATOM 2160 H SER A 154 -3.822 5.141 26.697 1.00 0.00 H ATOM 2161 N CYS A 155 -4.777 6.570 24.278 1.00 9.49 N ATOM 2162 CA CYS A 155 -4.376 7.191 23.039 1.00 9.11 C ATOM 2163 C CYS A 155 -5.471 8.143 22.522 1.00 8.44 C ATOM 2164 O CYS A 155 -6.616 7.728 22.306 1.00 10.39 O ATOM 2165 CB CYS A 155 -4.109 6.092 21.988 1.00 8.06 C ATOM 2166 SG CYS A 155 -3.243 6.770 20.570 1.00 8.58 S ATOM 2167 HA CYS A 155 -3.471 7.773 23.214 1.00 0.00 H ATOM 2168 HB2 CYS A 155 -5.060 5.671 21.660 1.00 0.00 H ATOM 2169 HB3 CYS A 155 -3.501 5.307 22.437 1.00 0.00 H ATOM 2170 H CYS A 155 -4.783 5.533 24.356 1.00 0.00 H ATOM 2171 N VAL A 156 -5.091 9.347 22.144 1.00 9.28 N ATOM 2172 CA VAL A 156 -5.997 10.270 21.459 1.00 9.59 C ATOM 2173 C VAL A 156 -6.198 9.728 20.047 1.00 8.70 C ATOM 2174 O VAL A 156 -5.200 9.464 19.301 1.00 10.08 O ATOM 2175 CB VAL A 156 -5.484 11.705 21.417 1.00 9.26 C ATOM 2176 CG1 VAL A 156 -6.364 12.589 20.485 1.00 13.30 C ATOM 2177 CG2 VAL A 156 -5.451 12.269 22.875 1.00 12.26 C ATOM 2178 HA VAL A 156 -6.935 10.321 22.011 1.00 0.00 H ATOM 2179 HB VAL A 156 -4.476 11.720 21.003 1.00 0.00 H ATOM 2180 HG11 VAL A 156 -6.344 12.181 19.474 1.00 0.00 H ATOM 2181 HG12 VAL A 156 -7.389 12.596 20.855 1.00 0.00 H ATOM 2182 HG13 VAL A 156 -5.973 13.606 20.476 1.00 0.00 H ATOM 2183 HG21 VAL A 156 -6.457 12.247 23.295 1.00 0.00 H ATOM 2184 HG22 VAL A 156 -4.788 11.656 23.485 1.00 0.00 H ATOM 2185 HG23 VAL A 156 -5.085 13.296 22.858 1.00 0.00 H ATOM 2186 H VAL A 156 -4.116 9.651 22.339 1.00 0.00 H ATOM 2187 N SER A 157 -7.439 9.470 19.675 1.00 9.35 N ATOM 2188 CA SER A 157 -7.764 8.642 18.509 1.00 9.51 C ATOM 2189 C SER A 157 -8.738 9.415 17.584 1.00 10.08 C ATOM 2190 O SER A 157 -9.914 9.057 17.466 1.00 12.16 O ATOM 2191 CB SER A 157 -8.365 7.313 18.964 1.00 9.68 C ATOM 2192 OG SER A 157 -7.478 6.623 19.858 1.00 9.21 O ATOM 2193 HA SER A 157 -6.857 8.423 17.947 1.00 0.00 H ATOM 2194 HB2 SER A 157 -8.548 6.687 18.091 1.00 0.00 H ATOM 2195 HB3 SER A 157 -9.308 7.505 19.476 1.00 0.00 H ATOM 2196 HG SER A 157 -7.312 7.185 20.656 1.00 0.00 H ATOM 2197 H SER A 157 -8.219 9.871 20.233 1.00 0.00 H ATOM 2198 N GLU A 158 -8.207 10.449 16.937 1.00 10.17 N ATOM 2199 CA GLU A 158 -9.096 11.380 16.224 1.00 10.47 C ATOM 2200 C GLU A 158 -8.704 11.640 14.751 1.00 11.15 C ATOM 2201 O GLU A 158 -9.611 11.880 13.944 1.00 12.54 O ATOM 2202 CB GLU A 158 -9.110 12.705 16.988 1.00 12.77 C ATOM 2203 CG GLU A 158 -9.598 12.592 18.435 1.00 18.47 C ATOM 2204 CD GLU A 158 -11.079 12.140 18.545 1.00 21.51 C ATOM 2205 OE1 GLU A 158 -11.899 12.406 17.569 1.00 20.95 O ATOM 2206 OE2 GLU A 158 -11.405 11.529 19.638 1.00 23.47 O ATOM 2207 HA GLU A 158 -10.081 10.914 16.188 1.00 0.00 H ATOM 2208 HB2 GLU A 158 -8.096 13.104 17.000 1.00 0.00 H ATOM 2209 HB3 GLU A 158 -9.765 13.397 16.459 1.00 0.00 H ATOM 2210 HG2 GLU A 158 -8.974 11.866 18.956 1.00 0.00 H ATOM 2211 HG3 GLU A 158 -9.496 13.566 18.913 1.00 0.00 H ATOM 2212 H GLU A 158 -7.178 10.597 16.935 1.00 0.00 H ATOM 2213 N GLN A 159 -7.401 11.716 14.447 1.00 9.45 N ATOM 2214 CA GLN A 159 -6.945 12.077 13.102 1.00 9.55 C ATOM 2215 C GLN A 159 -5.656 11.327 12.801 1.00 9.15 C ATOM 2216 O GLN A 159 -4.673 11.444 13.550 1.00 10.57 O ATOM 2217 CB GLN A 159 -6.686 13.603 12.985 1.00 11.14 C ATOM 2218 CG GLN A 159 -6.073 14.010 11.632 1.00 15.42 C ATOM 2219 CD GLN A 159 -5.920 15.528 11.400 1.00 24.06 C ATOM 2220 OE1 GLN A 159 -6.824 16.271 11.718 1.00 30.42 O ATOM 2221 NE2 GLN A 159 -4.796 15.969 10.811 1.00 27.24 N ATOM 2222 HA GLN A 159 -7.723 11.807 12.388 1.00 0.00 H ATOM 2223 HB2 GLN A 159 -7.634 14.126 13.108 1.00 0.00 H ATOM 2224 HB3 GLN A 159 -6.002 13.901 13.780 1.00 0.00 H ATOM 2225 HG2 GLN A 159 -5.084 13.558 11.562 1.00 0.00 H ATOM 2226 HG3 GLN A 159 -6.709 13.612 10.842 1.00 0.00 H ATOM 2227 HE22 GLN A 159 -4.045 15.297 10.555 1.00 0.00 H ATOM 2228 HE21 GLN A 159 -4.677 16.983 10.611 1.00 0.00 H ATOM 2229 H GLN A 159 -6.696 11.514 15.184 1.00 0.00 H ATOM 2230 N LEU A 160 -5.612 10.590 11.706 1.00 8.52 N ATOM 2231 CA LEU A 160 -4.398 9.899 11.286 1.00 8.32 C ATOM 2232 C LEU A 160 -3.357 10.951 10.959 1.00 8.95 C ATOM 2233 O LEU A 160 -3.629 11.902 10.160 1.00 11.61 O ATOM 2234 CB LEU A 160 -4.714 9.031 10.083 1.00 9.05 C ATOM 2235 CG LEU A 160 -5.634 7.845 10.317 1.00 9.05 C ATOM 2236 CD1 LEU A 160 -5.901 7.196 8.933 1.00 11.55 C ATOM 2237 CD2 LEU A 160 -5.065 6.814 11.309 1.00 8.88 C ATOM 2238 HA LEU A 160 -4.012 9.250 12.072 1.00 0.00 H ATOM 2239 HB2 LEU A 160 -5.180 9.667 9.330 1.00 0.00 H ATOM 2240 HB3 LEU A 160 -3.770 8.646 9.697 1.00 0.00 H ATOM 2241 HG LEU A 160 -6.556 8.198 10.778 1.00 0.00 H ATOM 2242 HD21 LEU A 160 -4.121 6.426 10.926 1.00 0.00 H ATOM 2243 HD22 LEU A 160 -4.897 7.294 12.273 1.00 0.00 H ATOM 2244 HD23 LEU A 160 -5.775 5.995 11.427 1.00 0.00 H ATOM 2245 HD11 LEU A 160 -6.373 7.926 8.276 1.00 0.00 H ATOM 2246 HD12 LEU A 160 -4.956 6.871 8.497 1.00 0.00 H ATOM 2247 HD13 LEU A 160 -6.560 6.337 9.057 1.00 0.00 H ATOM 2248 H LEU A 160 -6.470 10.499 11.125 1.00 0.00 H ATOM 2249 N ASP A 161 -2.162 10.845 11.533 1.00 7.70 N ATOM 2250 CA ASP A 161 -1.117 11.832 11.342 1.00 7.85 C ATOM 2251 C ASP A 161 0.303 11.222 11.335 1.00 7.34 C ATOM 2252 O ASP A 161 1.303 11.968 11.238 1.00 8.16 O ATOM 2253 CB ASP A 161 -1.217 12.952 12.384 1.00 8.91 C ATOM 2254 CG ASP A 161 -0.927 12.484 13.796 1.00 9.12 C ATOM 2255 OD1 ASP A 161 -1.114 13.292 14.740 1.00 15.74 O ATOM 2256 OD2 ASP A 161 -0.503 11.365 13.998 1.00 9.18 O ATOM 2257 HA ASP A 161 -1.280 12.255 10.351 1.00 0.00 H ATOM 2258 HB2 ASP A 161 -0.502 13.732 12.124 1.00 0.00 H ATOM 2259 HB3 ASP A 161 -2.226 13.362 12.356 1.00 0.00 H ATOM 2260 H ASP A 161 -1.970 10.024 12.141 1.00 0.00 H ATOM 2261 N HIS A 162 0.448 9.897 11.355 1.00 6.26 N ATOM 2262 CA HIS A 162 1.750 9.278 11.513 1.00 5.63 C ATOM 2263 C HIS A 162 1.687 7.855 10.924 1.00 5.69 C ATOM 2264 O HIS A 162 0.611 7.227 10.868 1.00 7.47 O ATOM 2265 CB HIS A 162 2.138 9.273 12.988 1.00 6.14 C ATOM 2266 CG HIS A 162 3.516 8.806 13.280 1.00 4.86 C ATOM 2267 ND1 HIS A 162 4.600 9.177 12.502 1.00 8.10 N ATOM 2268 CD2 HIS A 162 4.032 8.108 14.306 1.00 7.90 C ATOM 2269 CE1 HIS A 162 5.702 8.625 12.991 1.00 7.92 C ATOM 2270 NE2 HIS A 162 5.384 7.985 14.111 1.00 7.49 N ATOM 2271 HA HIS A 162 2.517 9.838 10.979 1.00 0.00 H ATOM 2272 HB2 HIS A 162 2.040 10.291 13.366 1.00 0.00 H ATOM 2273 HB3 HIS A 162 1.442 8.622 13.517 1.00 0.00 H ATOM 2274 HD2 HIS A 162 3.471 7.707 15.150 1.00 0.00 H ATOM 2275 HE1 HIS A 162 6.697 8.686 12.550 1.00 0.00 H ATOM 2276 H HIS A 162 -0.393 9.293 11.255 1.00 0.00 H ATOM 2277 N GLY A 163 2.815 7.366 10.429 1.00 5.73 N ATOM 2278 CA GLY A 163 2.994 6.031 9.879 1.00 5.14 C ATOM 2279 C GLY A 163 4.049 5.260 10.627 1.00 5.17 C ATOM 2280 O GLY A 163 5.138 5.801 10.843 1.00 6.20 O ATOM 2281 HA3 GLY A 163 3.292 6.116 8.834 1.00 0.00 H ATOM 2282 HA2 GLY A 163 2.049 5.492 9.944 1.00 0.00 H ATOM 2283 H GLY A 163 3.646 7.992 10.434 1.00 0.00 H ATOM 2284 N VAL A 164 3.711 4.031 11.005 1.00 4.97 N ATOM 2285 CA VAL A 164 4.559 3.182 11.844 1.00 4.90 C ATOM 2286 C VAL A 164 4.421 1.717 11.343 1.00 4.37 C ATOM 2287 O VAL A 164 3.805 1.458 10.302 1.00 4.52 O ATOM 2288 CB VAL A 164 4.208 3.347 13.326 1.00 5.15 C ATOM 2289 CG1 VAL A 164 4.593 4.739 13.808 1.00 7.19 C ATOM 2290 CG2 VAL A 164 2.737 3.033 13.634 1.00 7.19 C ATOM 2291 HA VAL A 164 5.604 3.479 11.760 1.00 0.00 H ATOM 2292 HB VAL A 164 4.791 2.610 13.878 1.00 0.00 H ATOM 2293 HG11 VAL A 164 5.665 4.884 13.677 1.00 0.00 H ATOM 2294 HG12 VAL A 164 4.051 5.486 13.228 1.00 0.00 H ATOM 2295 HG13 VAL A 164 4.337 4.841 14.863 1.00 0.00 H ATOM 2296 HG21 VAL A 164 2.096 3.706 13.065 1.00 0.00 H ATOM 2297 HG22 VAL A 164 2.521 2.002 13.355 1.00 0.00 H ATOM 2298 HG23 VAL A 164 2.553 3.169 14.700 1.00 0.00 H ATOM 2299 H VAL A 164 2.796 3.653 10.688 1.00 0.00 H ATOM 2300 N LEU A 165 4.976 0.781 12.108 1.00 4.99 N ATOM 2301 CA LEU A 165 5.029 -0.600 11.702 1.00 5.02 C ATOM 2302 C LEU A 165 4.577 -1.537 12.831 1.00 4.17 C ATOM 2303 O LEU A 165 5.187 -1.527 13.901 1.00 4.85 O ATOM 2304 CB LEU A 165 6.450 -0.983 11.259 1.00 5.35 C ATOM 2305 CG LEU A 165 6.647 -2.371 10.689 1.00 5.69 C ATOM 2306 CD1 LEU A 165 6.045 -2.492 9.325 1.00 6.32 C ATOM 2307 CD2 LEU A 165 8.182 -2.704 10.695 1.00 7.59 C ATOM 2308 HA LEU A 165 4.345 -0.714 10.861 1.00 0.00 H ATOM 2309 HB2 LEU A 165 6.760 -0.268 10.497 1.00 0.00 H ATOM 2310 HB3 LEU A 165 7.101 -0.890 12.128 1.00 0.00 H ATOM 2311 HG LEU A 165 6.127 -3.101 11.310 1.00 0.00 H ATOM 2312 HD21 LEU A 165 8.713 -1.974 10.085 1.00 0.00 H ATOM 2313 HD22 LEU A 165 8.557 -2.666 11.718 1.00 0.00 H ATOM 2314 HD23 LEU A 165 8.337 -3.702 10.286 1.00 0.00 H ATOM 2315 HD11 LEU A 165 4.975 -2.290 9.382 1.00 0.00 H ATOM 2316 HD12 LEU A 165 6.517 -1.773 8.656 1.00 0.00 H ATOM 2317 HD13 LEU A 165 6.205 -3.502 8.947 1.00 0.00 H ATOM 2318 H LEU A 165 5.383 1.054 13.025 1.00 0.00 H ATOM 2319 N LEU A 166 3.524 -2.312 12.608 1.00 4.72 N ATOM 2320 CA LEU A 166 3.108 -3.337 13.553 1.00 4.43 C ATOM 2321 C LEU A 166 4.044 -4.538 13.404 1.00 4.35 C ATOM 2322 O LEU A 166 4.190 -5.035 12.305 1.00 5.85 O ATOM 2323 CB LEU A 166 1.689 -3.854 13.286 1.00 4.97 C ATOM 2324 CG LEU A 166 0.547 -2.882 13.368 1.00 6.11 C ATOM 2325 CD1 LEU A 166 -0.754 -3.623 12.996 1.00 6.93 C ATOM 2326 CD2 LEU A 166 0.423 -2.286 14.760 1.00 10.22 C ATOM 2327 HA LEU A 166 3.138 -2.887 14.545 1.00 0.00 H ATOM 2328 HB2 LEU A 166 1.683 -4.275 12.280 1.00 0.00 H ATOM 2329 HB3 LEU A 166 1.492 -4.644 14.010 1.00 0.00 H ATOM 2330 HG LEU A 166 0.731 -2.061 12.675 1.00 0.00 H ATOM 2331 HD21 LEU A 166 0.250 -3.084 15.482 1.00 0.00 H ATOM 2332 HD22 LEU A 166 1.344 -1.760 15.012 1.00 0.00 H ATOM 2333 HD23 LEU A 166 -0.414 -1.588 14.782 1.00 0.00 H ATOM 2334 HD11 LEU A 166 -0.670 -4.015 11.982 1.00 0.00 H ATOM 2335 HD12 LEU A 166 -0.914 -4.446 13.693 1.00 0.00 H ATOM 2336 HD13 LEU A 166 -1.594 -2.930 13.051 1.00 0.00 H ATOM 2337 H LEU A 166 2.979 -2.183 11.731 1.00 0.00 H ATOM 2338 N VAL A 167 4.697 -4.939 14.496 1.00 4.61 N ATOM 2339 CA VAL A 167 5.583 -6.121 14.446 1.00 5.50 C ATOM 2340 C VAL A 167 5.063 -7.304 15.242 1.00 5.15 C ATOM 2341 O VAL A 167 5.662 -8.388 15.171 1.00 6.18 O ATOM 2342 CB VAL A 167 7.035 -5.752 14.835 1.00 6.27 C ATOM 2343 CG1 VAL A 167 7.606 -4.662 13.949 1.00 6.69 C ATOM 2344 CG2 VAL A 167 7.179 -5.484 16.313 1.00 9.24 C ATOM 2345 HA VAL A 167 5.588 -6.453 13.408 1.00 0.00 H ATOM 2346 HB VAL A 167 7.655 -6.628 14.644 1.00 0.00 H ATOM 2347 HG11 VAL A 167 7.608 -5.001 12.913 1.00 0.00 H ATOM 2348 HG12 VAL A 167 6.993 -3.765 14.037 1.00 0.00 H ATOM 2349 HG13 VAL A 167 8.626 -4.439 14.262 1.00 0.00 H ATOM 2350 HG21 VAL A 167 6.531 -4.654 16.595 1.00 0.00 H ATOM 2351 HG22 VAL A 167 6.894 -6.375 16.872 1.00 0.00 H ATOM 2352 HG23 VAL A 167 8.215 -5.230 16.536 1.00 0.00 H ATOM 2353 H VAL A 167 4.582 -4.417 15.388 1.00 0.00 H ATOM 2354 N GLY A 168 3.999 -7.144 16.040 1.00 4.86 N ATOM 2355 CA GLY A 168 3.511 -8.264 16.829 1.00 5.46 C ATOM 2356 C GLY A 168 2.323 -7.803 17.647 1.00 4.99 C ATOM 2357 O GLY A 168 1.851 -6.654 17.575 1.00 5.31 O ATOM 2358 HA3 GLY A 168 4.300 -8.616 17.494 1.00 0.00 H ATOM 2359 HA2 GLY A 168 3.208 -9.075 16.167 1.00 0.00 H ATOM 2360 H GLY A 168 3.523 -6.221 16.095 1.00 0.00 H ATOM 2361 N TYR A 169 1.822 -8.727 18.462 1.00 5.07 N ATOM 2362 CA TYR A 169 0.711 -8.509 19.390 1.00 5.66 C ATOM 2363 C TYR A 169 0.806 -9.561 20.482 1.00 5.24 C ATOM 2364 O TYR A 169 1.455 -10.603 20.353 1.00 6.34 O ATOM 2365 CB TYR A 169 -0.682 -8.567 18.677 1.00 5.55 C ATOM 2366 CG TYR A 169 -0.997 -9.935 18.101 1.00 5.88 C ATOM 2367 CD1 TYR A 169 -1.602 -10.908 18.860 1.00 7.10 C ATOM 2368 CD2 TYR A 169 -0.669 -10.242 16.798 1.00 7.33 C ATOM 2369 CE1 TYR A 169 -1.856 -12.172 18.358 1.00 7.15 C ATOM 2370 CE2 TYR A 169 -0.951 -11.502 16.271 1.00 6.63 C ATOM 2371 CZ TYR A 169 -1.510 -12.473 17.066 1.00 7.12 C ATOM 2372 OH TYR A 169 -1.779 -13.719 16.540 1.00 8.73 O ATOM 2373 HA TYR A 169 0.789 -7.507 19.813 1.00 0.00 H ATOM 2374 HB3 TYR A 169 -0.688 -7.839 17.866 1.00 0.00 H ATOM 2375 HB2 TYR A 169 -1.454 -8.309 19.401 1.00 0.00 H ATOM 2376 HD2 TYR A 169 -0.184 -9.492 16.173 1.00 0.00 H ATOM 2377 HE2 TYR A 169 -0.727 -11.717 15.226 1.00 0.00 H ATOM 2378 HE1 TYR A 169 -2.329 -12.926 18.987 1.00 0.00 H ATOM 2379 HD1 TYR A 169 -1.890 -10.678 19.886 1.00 0.00 H ATOM 2380 HH TYR A 169 -2.177 -14.293 17.242 1.00 0.00 H ATOM 2381 H TYR A 169 2.251 -9.674 18.438 1.00 0.00 H ATOM 2382 N ASN A 170 0.069 -9.310 21.573 1.00 5.81 N ATOM 2383 CA ASN A 170 -0.043 -10.289 22.659 1.00 6.20 C ATOM 2384 C ASN A 170 -1.466 -10.223 23.221 1.00 7.47 C ATOM 2385 O ASN A 170 -1.812 -9.278 23.949 1.00 8.42 O ATOM 2386 CB ASN A 170 1.016 -10.012 23.701 1.00 7.58 C ATOM 2387 CG ASN A 170 1.067 -11.053 24.801 1.00 9.17 C ATOM 2388 OD1 ASN A 170 0.180 -11.899 24.927 1.00 10.75 O ATOM 2389 ND2 ASN A 170 2.063 -10.906 25.674 1.00 12.15 N ATOM 2390 HA ASN A 170 0.130 -11.304 22.300 1.00 0.00 H ATOM 2391 HB2 ASN A 170 1.987 -9.983 23.207 1.00 0.00 H ATOM 2392 HB3 ASN A 170 0.811 -9.042 24.153 1.00 0.00 H ATOM 2393 HD22 ASN A 170 2.786 -10.175 25.519 1.00 0.00 H ATOM 2394 HD21 ASN A 170 2.117 -11.522 26.510 1.00 0.00 H ATOM 2395 H ASN A 170 -0.433 -8.403 21.651 1.00 0.00 H ATOM 2396 N ASP A 171 -2.282 -11.201 22.870 1.00 8.35 N ATOM 2397 CA ASP A 171 -3.661 -11.302 23.325 1.00 10.23 C ATOM 2398 C ASP A 171 -3.783 -11.931 24.729 1.00 11.43 C ATOM 2399 O ASP A 171 -4.825 -11.802 25.387 1.00 13.69 O ATOM 2400 CB ASP A 171 -4.499 -12.090 22.296 1.00 10.44 C ATOM 2401 CG ASP A 171 -4.828 -11.314 21.003 1.00 12.64 C ATOM 2402 OD1 ASP A 171 -5.166 -11.994 19.991 1.00 14.02 O ATOM 2403 OD2 ASP A 171 -4.768 -10.090 21.011 1.00 14.13 O ATOM 2404 HA ASP A 171 -4.050 -10.287 23.408 1.00 0.00 H ATOM 2405 HB2 ASP A 171 -3.945 -12.988 22.022 1.00 0.00 H ATOM 2406 HB3 ASP A 171 -5.438 -12.375 22.770 1.00 0.00 H ATOM 2407 H ASP A 171 -1.919 -11.939 22.234 1.00 0.00 H ATOM 2408 N GLY A 172 -2.698 -12.531 25.220 1.00 12.11 N ATOM 2409 CA GLY A 172 -2.733 -13.221 26.521 1.00 13.59 C ATOM 2410 C GLY A 172 -2.319 -12.363 27.676 1.00 13.43 C ATOM 2411 O GLY A 172 -2.429 -12.774 28.831 1.00 16.05 O ATOM 2412 HA3 GLY A 172 -2.062 -14.079 26.473 1.00 0.00 H ATOM 2413 HA2 GLY A 172 -3.751 -13.567 26.698 1.00 0.00 H ATOM 2414 H GLY A 172 -1.812 -12.511 24.675 1.00 0.00 H ATOM 2415 N ALA A 173 -1.882 -11.129 27.418 1.00 12.06 N ATOM 2416 CA ALA A 173 -1.376 -10.237 28.446 1.00 12.28 C ATOM 2417 C ALA A 173 -2.560 -9.658 29.269 1.00 11.79 C ATOM 2418 O ALA A 173 -3.718 -9.718 28.822 1.00 12.61 O ATOM 2419 CB ALA A 173 -0.587 -9.113 27.802 1.00 11.83 C ATOM 2420 HA ALA A 173 -0.720 -10.792 29.116 1.00 0.00 H ATOM 2421 HB1 ALA A 173 0.249 -9.532 27.242 1.00 0.00 H ATOM 2422 HB2 ALA A 173 -1.236 -8.556 27.126 1.00 0.00 H ATOM 2423 HB3 ALA A 173 -0.209 -8.446 28.577 1.00 0.00 H ATOM 2424 H ALA A 173 -1.905 -10.790 26.435 1.00 0.00 H ATOM 2425 N ALA A 174 -2.250 -9.099 30.429 1.00 13.45 N ATOM 2426 CA ALA A 174 -3.299 -8.540 31.289 1.00 13.46 C ATOM 2427 C ALA A 174 -4.060 -7.453 30.588 1.00 11.95 C ATOM 2428 O ALA A 174 -5.290 -7.417 30.712 1.00 12.73 O ATOM 2429 CB ALA A 174 -2.770 -8.017 32.601 1.00 15.44 C ATOM 2430 HA ALA A 174 -3.971 -9.370 31.509 1.00 0.00 H ATOM 2431 HB1 ALA A 174 -2.291 -8.829 33.148 1.00 0.00 H ATOM 2432 HB2 ALA A 174 -2.043 -7.228 32.409 1.00 0.00 H ATOM 2433 HB3 ALA A 174 -3.595 -7.617 33.191 1.00 0.00 H ATOM 2434 H ALA A 174 -1.256 -9.056 30.732 1.00 0.00 H ATOM 2435 N VAL A 175 -3.325 -6.615 29.812 1.00 10.58 N ATOM 2436 CA VAL A 175 -3.951 -5.696 28.862 1.00 8.92 C ATOM 2437 C VAL A 175 -3.409 -6.106 27.508 1.00 8.37 C ATOM 2438 O VAL A 175 -2.246 -5.875 27.180 1.00 8.15 O ATOM 2439 CB VAL A 175 -3.624 -4.234 29.151 1.00 10.13 C ATOM 2440 CG1 VAL A 175 -4.253 -3.313 28.074 1.00 9.95 C ATOM 2441 CG2 VAL A 175 -4.086 -3.819 30.565 1.00 12.98 C ATOM 2442 HA VAL A 175 -5.037 -5.760 28.921 1.00 0.00 H ATOM 2443 HB VAL A 175 -2.540 -4.121 29.114 1.00 0.00 H ATOM 2444 HG11 VAL A 175 -3.856 -3.578 27.094 1.00 0.00 H ATOM 2445 HG12 VAL A 175 -5.335 -3.441 28.075 1.00 0.00 H ATOM 2446 HG13 VAL A 175 -4.008 -2.275 28.298 1.00 0.00 H ATOM 2447 HG21 VAL A 175 -5.164 -3.955 30.648 1.00 0.00 H ATOM 2448 HG22 VAL A 175 -3.582 -4.439 31.307 1.00 0.00 H ATOM 2449 HG23 VAL A 175 -3.836 -2.772 30.735 1.00 0.00 H ATOM 2450 H VAL A 175 -2.288 -6.627 29.896 1.00 0.00 H ATOM 2451 N PRO A 176 -4.236 -6.737 26.661 1.00 6.99 N ATOM 2452 CA PRO A 176 -3.768 -7.149 25.349 1.00 6.63 C ATOM 2453 C PRO A 176 -3.218 -5.972 24.576 1.00 6.02 C ATOM 2454 O PRO A 176 -3.787 -4.863 24.634 1.00 6.37 O ATOM 2455 CB PRO A 176 -5.019 -7.773 24.732 1.00 7.88 C ATOM 2456 CG PRO A 176 -5.765 -8.298 25.903 1.00 12.05 C ATOM 2457 CD PRO A 176 -5.567 -7.266 26.965 1.00 10.48 C ATOM 2458 HA PRO A 176 -2.934 -7.851 25.362 1.00 0.00 H ATOM 2459 HD3 PRO A 176 -6.324 -6.485 26.900 1.00 0.00 H ATOM 2460 HD2 PRO A 176 -5.594 -7.714 27.958 1.00 0.00 H ATOM 2461 HG3 PRO A 176 -5.360 -9.259 26.219 1.00 0.00 H ATOM 2462 HG2 PRO A 176 -6.823 -8.411 25.667 1.00 0.00 H ATOM 2463 HB2 PRO A 176 -5.606 -7.024 24.201 1.00 0.00 H ATOM 2464 HB3 PRO A 176 -4.754 -8.578 24.047 1.00 0.00 H ATOM 2465 N TYR A 177 -2.174 -6.190 23.771 1.00 5.73 N ATOM 2466 CA TYR A 177 -1.492 -5.075 23.100 1.00 4.76 C ATOM 2467 C TYR A 177 -0.966 -5.406 21.709 1.00 4.73 C ATOM 2468 O TYR A 177 -0.744 -6.581 21.376 1.00 5.58 O ATOM 2469 CB TYR A 177 -0.340 -4.570 23.979 1.00 5.40 C ATOM 2470 CG TYR A 177 0.743 -5.556 24.364 1.00 5.44 C ATOM 2471 CD1 TYR A 177 1.761 -5.888 23.484 1.00 5.57 C ATOM 2472 CD2 TYR A 177 0.753 -6.159 25.621 1.00 6.34 C ATOM 2473 CE1 TYR A 177 2.773 -6.780 23.825 1.00 6.44 C ATOM 2474 CE2 TYR A 177 1.794 -7.074 25.986 1.00 6.68 C ATOM 2475 CZ TYR A 177 2.756 -7.376 25.054 1.00 6.65 C ATOM 2476 OH TYR A 177 3.730 -8.248 25.452 1.00 9.17 O ATOM 2477 HA TYR A 177 -2.247 -4.301 22.961 1.00 0.00 H ATOM 2478 HB3 TYR A 177 -0.778 -4.192 24.903 1.00 0.00 H ATOM 2479 HB2 TYR A 177 0.141 -3.751 23.445 1.00 0.00 H ATOM 2480 HD2 TYR A 177 -0.040 -5.932 26.334 1.00 0.00 H ATOM 2481 HE2 TYR A 177 1.821 -7.520 26.980 1.00 0.00 H ATOM 2482 HE1 TYR A 177 3.572 -7.001 23.118 1.00 0.00 H ATOM 2483 HD1 TYR A 177 1.769 -5.436 22.492 1.00 0.00 H ATOM 2484 HH TYR A 177 4.366 -8.393 24.707 1.00 0.00 H ATOM 2485 H TYR A 177 -1.839 -7.163 23.617 1.00 0.00 H ATOM 2486 N TRP A 178 -0.789 -4.358 20.937 1.00 4.53 N ATOM 2487 CA TRP A 178 0.059 -4.351 19.733 1.00 4.54 C ATOM 2488 C TRP A 178 1.463 -3.904 20.097 1.00 4.42 C ATOM 2489 O TRP A 178 1.631 -3.092 20.984 1.00 5.23 O ATOM 2490 CB TRP A 178 -0.494 -3.302 18.723 1.00 5.79 C ATOM 2491 CG TRP A 178 -1.811 -3.605 18.062 1.00 5.31 C ATOM 2492 CD1 TRP A 178 -3.008 -2.991 18.265 1.00 6.16 C ATOM 2493 CD2 TRP A 178 -2.033 -4.583 17.042 1.00 5.47 C ATOM 2494 NE1 TRP A 178 -3.978 -3.513 17.442 1.00 5.98 N ATOM 2495 CE2 TRP A 178 -3.399 -4.493 16.674 1.00 5.73 C ATOM 2496 CE3 TRP A 178 -1.208 -5.520 16.396 1.00 5.24 C ATOM 2497 CZ2 TRP A 178 -3.930 -5.285 15.669 1.00 7.31 C ATOM 2498 CZ3 TRP A 178 -1.769 -6.324 15.430 1.00 7.65 C ATOM 2499 CH2 TRP A 178 -3.116 -6.192 15.077 1.00 7.20 C ATOM 2500 HA TRP A 178 0.065 -5.354 19.307 1.00 0.00 H ATOM 2501 HB2 TRP A 178 -0.606 -2.359 19.259 1.00 0.00 H ATOM 2502 HB3 TRP A 178 0.249 -3.184 17.934 1.00 0.00 H ATOM 2503 HE1 TRP A 178 -4.975 -3.218 17.407 1.00 0.00 H ATOM 2504 HD1 TRP A 178 -3.176 -2.190 18.985 1.00 0.00 H ATOM 2505 HZ2 TRP A 178 -4.971 -5.182 15.364 1.00 0.00 H ATOM 2506 HH2 TRP A 178 -3.524 -6.840 14.301 1.00 0.00 H ATOM 2507 HZ3 TRP A 178 -1.155 -7.075 14.933 1.00 0.00 H ATOM 2508 HE3 TRP A 178 -0.152 -5.607 16.653 1.00 0.00 H ATOM 2509 H TRP A 178 -1.279 -3.477 21.192 1.00 0.00 H ATOM 2510 N ILE A 179 2.448 -4.390 19.337 1.00 4.66 N ATOM 2511 CA ILE A 179 3.851 -3.983 19.419 1.00 4.98 C ATOM 2512 C ILE A 179 4.167 -3.199 18.137 1.00 4.85 C ATOM 2513 O ILE A 179 4.053 -3.749 17.020 1.00 5.04 O ATOM 2514 CB ILE A 179 4.796 -5.172 19.528 1.00 5.57 C ATOM 2515 CG1 ILE A 179 4.394 -6.161 20.654 1.00 6.61 C ATOM 2516 CG2 ILE A 179 6.222 -4.693 19.667 1.00 7.73 C ATOM 2517 CD1 ILE A 179 5.168 -7.487 20.638 1.00 9.07 C ATOM 2518 HA ILE A 179 3.996 -3.382 20.317 1.00 0.00 H ATOM 2519 HB ILE A 179 4.716 -5.743 18.603 1.00 0.00 H ATOM 2520 HG12 ILE A 179 4.569 -5.675 21.614 1.00 0.00 H ATOM 2521 HG13 ILE A 179 3.332 -6.384 20.549 1.00 0.00 H ATOM 2522 HD11 ILE A 179 4.995 -7.996 19.690 1.00 0.00 H ATOM 2523 HD12 ILE A 179 6.233 -7.286 20.755 1.00 0.00 H ATOM 2524 HD13 ILE A 179 4.824 -8.117 21.458 1.00 0.00 H ATOM 2525 HG21 ILE A 179 6.492 -4.101 18.793 1.00 0.00 H ATOM 2526 HG22 ILE A 179 6.312 -4.081 20.564 1.00 0.00 H ATOM 2527 HG23 ILE A 179 6.887 -5.553 19.744 1.00 0.00 H ATOM 2528 H ILE A 179 2.198 -5.113 18.633 1.00 0.00 H ATOM 2529 N ILE A 180 4.568 -1.935 18.283 1.00 4.85 N ATOM 2530 CA ILE A 180 4.756 -0.997 17.195 1.00 4.95 C ATOM 2531 C ILE A 180 6.160 -0.437 17.183 1.00 4.75 C ATOM 2532 O ILE A 180 6.652 0.117 18.179 1.00 5.95 O ATOM 2533 CB ILE A 180 3.723 0.151 17.295 1.00 5.15 C ATOM 2534 CG1 ILE A 180 2.284 -0.391 17.224 1.00 7.93 C ATOM 2535 CG2 ILE A 180 3.992 1.172 16.200 1.00 7.80 C ATOM 2536 CD1 ILE A 180 1.186 0.621 17.302 1.00 7.38 C ATOM 2537 HA ILE A 180 4.604 -1.535 16.260 1.00 0.00 H ATOM 2538 HB ILE A 180 3.828 0.643 18.262 1.00 0.00 H ATOM 2539 HG12 ILE A 180 2.177 -0.924 16.280 1.00 0.00 H ATOM 2540 HG13 ILE A 180 2.151 -1.089 18.051 1.00 0.00 H ATOM 2541 HD11 ILE A 180 1.256 1.159 18.247 1.00 0.00 H ATOM 2542 HD12 ILE A 180 1.282 1.324 16.474 1.00 0.00 H ATOM 2543 HD13 ILE A 180 0.222 0.115 17.241 1.00 0.00 H ATOM 2544 HG21 ILE A 180 4.997 1.576 16.320 1.00 0.00 H ATOM 2545 HG22 ILE A 180 3.907 0.690 15.226 1.00 0.00 H ATOM 2546 HG23 ILE A 180 3.264 1.980 16.272 1.00 0.00 H ATOM 2547 H ILE A 180 4.760 -1.598 19.248 1.00 0.00 H ATOM 2548 N LYS A 181 6.837 -0.575 16.037 1.00 5.13 N ATOM 2549 CA LYS A 181 8.158 0.072 15.791 1.00 5.59 C ATOM 2550 C LYS A 181 7.934 1.508 15.322 1.00 5.04 C ATOM 2551 O LYS A 181 7.216 1.731 14.353 1.00 6.05 O ATOM 2552 CB LYS A 181 8.877 -0.735 14.686 1.00 6.05 C ATOM 2553 CG LYS A 181 10.302 -0.300 14.466 1.00 5.95 C ATOM 2554 CD LYS A 181 10.940 -0.955 13.240 1.00 6.93 C ATOM 2555 CE LYS A 181 12.438 -0.698 13.174 1.00 8.09 C ATOM 2556 NZ LYS A 181 13.009 -1.099 11.843 1.00 9.11 N ATOM 2557 HA LYS A 181 8.760 0.089 16.700 1.00 0.00 H ATOM 2558 HB2 LYS A 181 8.875 -1.788 14.969 1.00 0.00 H ATOM 2559 HB3 LYS A 181 8.328 -0.610 13.753 1.00 0.00 H ATOM 2560 HG2 LYS A 181 10.319 0.782 14.332 1.00 0.00 H ATOM 2561 HG3 LYS A 181 10.887 -0.565 15.347 1.00 0.00 H ATOM 2562 HD2 LYS A 181 10.768 -2.030 13.285 1.00 0.00 H ATOM 2563 HD3 LYS A 181 10.473 -0.551 12.342 1.00 0.00 H ATOM 2564 HE2 LYS A 181 12.931 -1.272 13.958 1.00 0.00 H ATOM 2565 HE3 LYS A 181 12.622 0.364 13.333 1.00 0.00 H ATOM 2566 HZ1 LYS A 181 12.842 -2.114 11.687 1.00 0.00 H ATOM 2567 HZ2 LYS A 181 12.547 -0.550 11.090 1.00 0.00 H ATOM 2568 HZ3 LYS A 181 14.032 -0.910 11.835 1.00 0.00 H ATOM 2569 H LYS A 181 6.423 -1.160 15.283 1.00 0.00 H ATOM 2570 N ASN A 182 8.579 2.455 16.004 1.00 6.04 N ATOM 2571 CA ASN A 182 8.571 3.850 15.575 1.00 5.54 C ATOM 2572 C ASN A 182 9.893 4.216 14.922 1.00 6.98 C ATOM 2573 O ASN A 182 10.826 3.386 14.858 1.00 7.97 O ATOM 2574 CB ASN A 182 8.170 4.753 16.777 1.00 6.11 C ATOM 2575 CG ASN A 182 7.504 6.060 16.435 1.00 7.17 C ATOM 2576 OD1 ASN A 182 7.451 6.441 15.270 1.00 7.23 O ATOM 2577 ND2 ASN A 182 6.954 6.758 17.449 1.00 8.18 N ATOM 2578 HA ASN A 182 7.820 4.013 14.802 1.00 0.00 H ATOM 2579 HB2 ASN A 182 7.484 4.185 17.406 1.00 0.00 H ATOM 2580 HB3 ASN A 182 9.075 4.978 17.340 1.00 0.00 H ATOM 2581 HD22 ASN A 182 7.021 6.400 18.423 1.00 0.00 H ATOM 2582 HD21 ASN A 182 6.463 7.654 17.257 1.00 0.00 H ATOM 2583 H ASN A 182 9.101 2.193 16.864 1.00 0.00 H ATOM 2584 N SER A 183 9.992 5.461 14.465 1.00 6.60 N ATOM 2585 CA SER A 183 11.164 6.023 13.750 1.00 7.61 C ATOM 2586 C SER A 183 11.665 7.306 14.429 1.00 7.76 C ATOM 2587 O SER A 183 12.106 8.244 13.776 1.00 8.99 O ATOM 2588 CB SER A 183 10.759 6.291 12.298 1.00 7.83 C ATOM 2589 OG SER A 183 9.584 7.077 12.222 1.00 8.24 O ATOM 2590 HA SER A 183 11.987 5.309 13.777 1.00 0.00 H ATOM 2591 HB2 SER A 183 10.581 5.339 11.798 1.00 0.00 H ATOM 2592 HB3 SER A 183 11.570 6.817 11.795 1.00 0.00 H ATOM 2593 HG SER A 183 9.740 7.946 12.669 1.00 0.00 H ATOM 2594 H SER A 183 9.181 6.093 14.622 1.00 0.00 H ATOM 2595 N TRP A 184 11.644 7.302 15.770 1.00 7.73 N ATOM 2596 CA TRP A 184 12.012 8.454 16.587 1.00 8.02 C ATOM 2597 C TRP A 184 13.232 8.155 17.489 1.00 9.14 C ATOM 2598 O TRP A 184 13.388 8.766 18.561 1.00 10.64 O ATOM 2599 CB TRP A 184 10.855 8.925 17.440 1.00 8.04 C ATOM 2600 CG TRP A 184 9.631 9.411 16.673 1.00 8.91 C ATOM 2601 CD1 TRP A 184 9.513 9.679 15.323 1.00 9.19 C ATOM 2602 CD2 TRP A 184 8.350 9.709 17.250 1.00 7.95 C ATOM 2603 NE1 TRP A 184 8.249 10.124 15.043 1.00 9.68 N ATOM 2604 CE2 TRP A 184 7.525 10.141 16.209 1.00 7.59 C ATOM 2605 CE3 TRP A 184 7.834 9.687 18.549 1.00 8.84 C ATOM 2606 CZ2 TRP A 184 6.196 10.475 16.414 1.00 10.23 C ATOM 2607 CZ3 TRP A 184 6.545 10.039 18.747 1.00 9.13 C ATOM 2608 CH2 TRP A 184 5.719 10.402 17.692 1.00 9.96 C ATOM 2609 HA TRP A 184 12.282 9.249 15.892 1.00 0.00 H ATOM 2610 HB2 TRP A 184 10.546 8.095 18.076 1.00 0.00 H ATOM 2611 HB3 TRP A 184 11.209 9.746 18.063 1.00 0.00 H ATOM 2612 HE1 TRP A 184 7.897 10.402 14.105 1.00 0.00 H ATOM 2613 HD1 TRP A 184 10.309 9.554 14.589 1.00 0.00 H ATOM 2614 HZ2 TRP A 184 5.556 10.784 15.588 1.00 0.00 H ATOM 2615 HH2 TRP A 184 4.672 10.633 17.887 1.00 0.00 H ATOM 2616 HZ3 TRP A 184 6.143 10.038 19.760 1.00 0.00 H ATOM 2617 HE3 TRP A 184 8.462 9.390 19.389 1.00 0.00 H ATOM 2618 H TRP A 184 11.349 6.430 16.254 1.00 0.00 H ATOM 2619 N THR A 185 14.134 7.287 17.023 1.00 9.85 N ATOM 2620 CA THR A 185 15.319 6.821 17.749 1.00 10.66 C ATOM 2621 C THR A 185 14.967 5.761 18.821 1.00 10.09 C ATOM 2622 O THR A 185 13.810 5.666 19.269 1.00 9.58 O ATOM 2623 CB THR A 185 16.230 7.926 18.411 1.00 11.49 C ATOM 2624 OG1 THR A 185 15.700 8.298 19.688 1.00 11.38 O ATOM 2625 CG2 THR A 185 16.447 9.097 17.496 1.00 12.80 C ATOM 2626 HA THR A 185 15.915 6.387 16.947 1.00 0.00 H ATOM 2627 HB THR A 185 17.222 7.507 18.580 1.00 0.00 H ATOM 2628 HG1 THR A 185 14.784 8.657 19.572 1.00 0.00 H ATOM 2629 HG23 THR A 185 16.850 8.745 16.546 1.00 0.00 H ATOM 2630 HG21 THR A 185 15.497 9.603 17.324 1.00 0.00 H ATOM 2631 HG22 THR A 185 17.151 9.790 17.956 1.00 0.00 H ATOM 2632 H THR A 185 13.983 6.910 16.065 1.00 0.00 H ATOM 2633 N THR A 186 16.008 5.093 19.352 1.00 10.68 N ATOM 2634 CA THR A 186 15.782 4.184 20.485 1.00 10.84 C ATOM 2635 C THR A 186 15.643 4.914 21.792 1.00 10.11 C ATOM 2636 O THR A 186 15.321 4.257 22.798 1.00 10.82 O ATOM 2637 CB THR A 186 16.895 3.176 20.624 1.00 11.49 C ATOM 2638 OG1 THR A 186 18.139 3.887 20.754 1.00 14.81 O ATOM 2639 CG2 THR A 186 16.986 2.225 19.419 1.00 12.74 C ATOM 2640 HA THR A 186 14.845 3.674 20.261 1.00 0.00 H ATOM 2641 HB THR A 186 16.687 2.567 21.503 1.00 0.00 H ATOM 2642 HG1 THR A 186 18.881 3.238 20.846 1.00 0.00 H ATOM 2643 HG23 THR A 186 16.046 1.682 19.314 1.00 0.00 H ATOM 2644 HG21 THR A 186 17.176 2.803 18.515 1.00 0.00 H ATOM 2645 HG22 THR A 186 17.800 1.517 19.577 1.00 0.00 H ATOM 2646 H THR A 186 16.965 5.219 18.964 1.00 0.00 H ATOM 2647 N GLN A 187 15.857 6.229 21.821 1.00 10.36 N ATOM 2648 CA GLN A 187 15.679 7.000 23.075 1.00 10.31 C ATOM 2649 C GLN A 187 14.215 7.197 23.435 1.00 10.15 C ATOM 2650 O GLN A 187 13.906 7.451 24.587 1.00 12.07 O ATOM 2651 CB GLN A 187 16.301 8.397 23.020 1.00 12.43 C ATOM 2652 CG GLN A 187 17.778 8.404 22.806 1.00 16.92 C ATOM 2653 CD GLN A 187 18.265 9.779 22.498 1.00 19.85 C ATOM 2654 OE1 GLN A 187 18.588 10.058 21.316 1.00 21.69 O ATOM 2655 NE2 GLN A 187 18.200 10.702 23.513 1.00 17.50 N ATOM 2656 HA GLN A 187 16.186 6.393 23.825 1.00 0.00 H ATOM 2657 HB2 GLN A 187 15.835 8.947 22.202 1.00 0.00 H ATOM 2658 HB3 GLN A 187 16.090 8.902 23.963 1.00 0.00 H ATOM 2659 HG2 GLN A 187 18.271 8.044 23.709 1.00 0.00 H ATOM 2660 HG3 GLN A 187 18.021 7.744 21.973 1.00 0.00 H ATOM 2661 HE22 GLN A 187 17.925 10.403 24.471 1.00 0.00 H ATOM 2662 HE21 GLN A 187 18.426 11.699 23.324 1.00 0.00 H ATOM 2663 H GLN A 187 16.152 6.721 20.953 1.00 0.00 H ATOM 2664 N TRP A 188 13.338 7.098 22.438 1.00 9.53 N ATOM 2665 CA TRP A 188 11.938 7.305 22.659 1.00 8.46 C ATOM 2666 C TRP A 188 11.291 5.973 23.000 1.00 7.50 C ATOM 2667 O TRP A 188 11.593 4.921 22.383 1.00 8.59 O ATOM 2668 CB TRP A 188 11.273 7.887 21.405 1.00 8.40 C ATOM 2669 CG TRP A 188 9.804 8.127 21.538 1.00 8.25 C ATOM 2670 CD1 TRP A 188 9.190 9.170 22.088 1.00 8.84 C ATOM 2671 CD2 TRP A 188 8.766 7.190 21.202 1.00 7.21 C ATOM 2672 NE1 TRP A 188 7.829 9.019 22.093 1.00 8.75 N ATOM 2673 CE2 TRP A 188 7.539 7.785 21.552 1.00 7.36 C ATOM 2674 CE3 TRP A 188 8.759 5.931 20.619 1.00 6.73 C ATOM 2675 CZ2 TRP A 188 6.328 7.159 21.321 1.00 7.70 C ATOM 2676 CZ3 TRP A 188 7.556 5.290 20.403 1.00 7.08 C ATOM 2677 CH2 TRP A 188 6.346 5.925 20.723 1.00 7.48 C ATOM 2678 HA TRP A 188 11.808 8.010 23.480 1.00 0.00 H ATOM 2679 HB2 TRP A 188 11.754 8.837 21.174 1.00 0.00 H ATOM 2680 HB3 TRP A 188 11.431 7.191 20.581 1.00 0.00 H ATOM 2681 HE1 TRP A 188 7.137 9.712 22.443 1.00 0.00 H ATOM 2682 HD1 TRP A 188 9.708 10.042 22.487 1.00 0.00 H ATOM 2683 HZ2 TRP A 188 5.388 7.632 21.605 1.00 0.00 H ATOM 2684 HH2 TRP A 188 5.404 5.428 20.492 1.00 0.00 H ATOM 2685 HZ3 TRP A 188 7.546 4.285 19.981 1.00 0.00 H ATOM 2686 HE3 TRP A 188 9.696 5.452 20.334 1.00 0.00 H ATOM 2687 H TRP A 188 13.675 6.866 21.482 1.00 0.00 H ATOM 2688 N GLY A 189 10.383 6.005 23.985 1.00 7.59 N ATOM 2689 CA GLY A 189 9.548 4.836 24.249 1.00 7.32 C ATOM 2690 C GLY A 189 10.376 3.665 24.792 1.00 6.54 C ATOM 2691 O GLY A 189 11.321 3.833 25.563 1.00 8.54 O ATOM 2692 HA3 GLY A 189 9.065 4.529 23.321 1.00 0.00 H ATOM 2693 HA2 GLY A 189 8.787 5.102 24.983 1.00 0.00 H ATOM 2694 H GLY A 189 10.273 6.863 24.562 1.00 0.00 H ATOM 2695 N GLU A 190 9.974 2.466 24.410 1.00 6.59 N ATOM 2696 CA GLU A 190 10.558 1.210 24.861 1.00 7.22 C ATOM 2697 C GLU A 190 11.637 0.810 23.855 1.00 7.81 C ATOM 2698 O GLU A 190 11.393 0.020 22.921 1.00 7.24 O ATOM 2699 CB GLU A 190 9.515 0.102 25.043 1.00 7.34 C ATOM 2700 CG GLU A 190 8.474 0.434 26.080 1.00 8.33 C ATOM 2701 CD GLU A 190 7.439 -0.635 26.396 1.00 8.40 C ATOM 2702 OE1 GLU A 190 7.118 -1.444 25.520 1.00 9.78 O ATOM 2703 OE2 GLU A 190 6.953 -0.633 27.550 1.00 8.49 O ATOM 2704 HA GLU A 190 10.995 1.353 25.849 1.00 0.00 H ATOM 2705 HB2 GLU A 190 9.014 -0.063 24.089 1.00 0.00 H ATOM 2706 HB3 GLU A 190 10.028 -0.811 25.346 1.00 0.00 H ATOM 2707 HG2 GLU A 190 8.998 0.668 27.007 1.00 0.00 H ATOM 2708 HG3 GLU A 190 7.938 1.318 25.735 1.00 0.00 H ATOM 2709 H GLU A 190 9.182 2.415 23.738 1.00 0.00 H ATOM 2710 N GLU A 191 12.813 1.428 23.974 1.00 8.14 N ATOM 2711 CA GLU A 191 13.896 1.292 23.000 1.00 8.70 C ATOM 2712 C GLU A 191 13.394 1.487 21.582 1.00 7.79 C ATOM 2713 O GLU A 191 13.819 0.813 20.643 1.00 8.82 O ATOM 2714 CB GLU A 191 14.560 -0.052 23.162 1.00 9.58 C ATOM 2715 CG GLU A 191 15.231 -0.234 24.536 1.00 13.75 C ATOM 2716 CD GLU A 191 16.444 0.644 24.738 1.00 23.52 C ATOM 2717 OE1 GLU A 191 17.205 0.855 23.759 1.00 26.40 O ATOM 2718 OE2 GLU A 191 16.667 1.113 25.900 1.00 30.06 O ATOM 2719 HA GLU A 191 14.632 2.074 23.189 1.00 0.00 H ATOM 2720 HB2 GLU A 191 13.805 -0.829 23.039 1.00 0.00 H ATOM 2721 HB3 GLU A 191 15.320 -0.159 22.388 1.00 0.00 H ATOM 2722 HG2 GLU A 191 14.501 0.003 25.310 1.00 0.00 H ATOM 2723 HG3 GLU A 191 15.539 -1.275 24.634 1.00 0.00 H ATOM 2724 H GLU A 191 12.968 2.038 24.802 1.00 0.00 H ATOM 2725 N GLY A 192 12.559 2.495 21.420 1.00 7.45 N ATOM 2726 CA GLY A 192 12.077 2.919 20.125 1.00 7.03 C ATOM 2727 C GLY A 192 10.735 2.373 19.692 1.00 7.17 C ATOM 2728 O GLY A 192 10.224 2.733 18.617 1.00 7.18 O ATOM 2729 HA3 GLY A 192 12.814 2.615 19.381 1.00 0.00 H ATOM 2730 HA2 GLY A 192 12.004 4.006 20.139 1.00 0.00 H ATOM 2731 H GLY A 192 12.232 3.009 22.263 1.00 0.00 H ATOM 2732 N TYR A 193 10.177 1.504 20.524 1.00 6.47 N ATOM 2733 CA TYR A 193 8.887 0.849 20.329 1.00 5.77 C ATOM 2734 C TYR A 193 7.809 1.404 21.275 1.00 5.61 C ATOM 2735 O TYR A 193 8.125 1.993 22.307 1.00 6.25 O ATOM 2736 CB TYR A 193 9.004 -0.677 20.575 1.00 6.46 C ATOM 2737 CG TYR A 193 9.724 -1.422 19.461 1.00 6.56 C ATOM 2738 CD1 TYR A 193 8.994 -2.113 18.496 1.00 7.49 C ATOM 2739 CD2 TYR A 193 11.096 -1.386 19.315 1.00 7.94 C ATOM 2740 CE1 TYR A 193 9.606 -2.748 17.451 1.00 8.90 C ATOM 2741 CE2 TYR A 193 11.752 -2.051 18.260 1.00 8.36 C ATOM 2742 CZ TYR A 193 10.975 -2.696 17.293 1.00 8.58 C ATOM 2743 OH TYR A 193 11.550 -3.304 16.208 1.00 10.58 O ATOM 2744 HA TYR A 193 8.594 1.048 19.298 1.00 0.00 H ATOM 2745 HB3 TYR A 193 7.999 -1.088 20.671 1.00 0.00 H ATOM 2746 HB2 TYR A 193 9.551 -0.835 21.505 1.00 0.00 H ATOM 2747 HD2 TYR A 193 11.690 -0.826 20.038 1.00 0.00 H ATOM 2748 HE2 TYR A 193 12.840 -2.062 18.199 1.00 0.00 H ATOM 2749 HE1 TYR A 193 9.003 -3.303 16.733 1.00 0.00 H ATOM 2750 HD1 TYR A 193 7.908 -2.148 18.576 1.00 0.00 H ATOM 2751 HH TYR A 193 10.843 -3.702 15.641 1.00 0.00 H ATOM 2752 H TYR A 193 10.704 1.269 21.390 1.00 0.00 H ATOM 2753 N ILE A 194 6.552 1.195 20.909 1.00 4.95 N ATOM 2754 CA ILE A 194 5.432 1.491 21.767 1.00 5.22 C ATOM 2755 C ILE A 194 4.509 0.290 21.753 1.00 4.89 C ATOM 2756 O ILE A 194 4.282 -0.323 20.692 1.00 5.67 O ATOM 2757 CB ILE A 194 4.688 2.792 21.329 1.00 5.57 C ATOM 2758 CG1 ILE A 194 3.412 3.052 22.153 1.00 5.26 C ATOM 2759 CG2 ILE A 194 4.445 2.834 19.837 1.00 7.01 C ATOM 2760 CD1 ILE A 194 2.778 4.433 21.974 1.00 7.06 C ATOM 2761 HA ILE A 194 5.786 1.680 22.781 1.00 0.00 H ATOM 2762 HB ILE A 194 5.357 3.623 21.553 1.00 0.00 H ATOM 2763 HG12 ILE A 194 2.672 2.304 21.870 1.00 0.00 H ATOM 2764 HG13 ILE A 194 3.663 2.932 23.207 1.00 0.00 H ATOM 2765 HD11 ILE A 194 3.494 5.201 22.267 1.00 0.00 H ATOM 2766 HD12 ILE A 194 2.502 4.572 20.929 1.00 0.00 H ATOM 2767 HD13 ILE A 194 1.888 4.507 22.599 1.00 0.00 H ATOM 2768 HG21 ILE A 194 5.400 2.796 19.313 1.00 0.00 H ATOM 2769 HG22 ILE A 194 3.835 1.979 19.545 1.00 0.00 H ATOM 2770 HG23 ILE A 194 3.925 3.757 19.581 1.00 0.00 H ATOM 2771 H ILE A 194 6.366 0.801 19.964 1.00 0.00 H ATOM 2772 N ARG A 195 3.872 0.039 22.902 1.00 4.63 N ATOM 2773 CA ARG A 195 2.750 -0.889 22.987 1.00 4.94 C ATOM 2774 C ARG A 195 1.487 -0.091 23.212 1.00 4.78 C ATOM 2775 O ARG A 195 1.448 0.784 24.085 1.00 5.31 O ATOM 2776 CB ARG A 195 2.976 -1.914 24.101 1.00 5.76 C ATOM 2777 CG ARG A 195 4.075 -2.895 23.776 1.00 6.36 C ATOM 2778 CD ARG A 195 4.335 -3.889 24.896 1.00 7.52 C ATOM 2779 NE ARG A 195 4.953 -3.228 26.041 1.00 7.21 N ATOM 2780 CZ ARG A 195 4.771 -3.609 27.291 1.00 7.54 C ATOM 2781 NH1 ARG A 195 4.050 -4.667 27.577 1.00 8.70 N ATOM 2782 NH2 ARG A 195 5.374 -2.945 28.253 1.00 8.95 N ATOM 2783 HA ARG A 195 2.658 -1.451 22.058 1.00 0.00 H ATOM 2784 HB2 ARG A 195 3.241 -1.383 25.015 1.00 0.00 H ATOM 2785 HB3 ARG A 195 2.050 -2.467 24.259 1.00 0.00 H ATOM 2786 HG2 ARG A 195 3.794 -3.447 22.879 1.00 0.00 H ATOM 2787 HG3 ARG A 195 4.993 -2.338 23.585 1.00 0.00 H ATOM 2788 HD2 ARG A 195 5.001 -4.672 24.532 1.00 0.00 H ATOM 2789 HD3 ARG A 195 3.389 -4.333 25.207 1.00 0.00 H ATOM 2790 HE ARG A 195 5.571 -2.411 25.862 1.00 0.00 H ATOM 2791 HH12 ARG A 195 3.917 -4.953 28.568 1.00 0.00 H ATOM 2792 HH11 ARG A 195 3.612 -5.220 26.813 1.00 0.00 H ATOM 2793 HH22 ARG A 195 5.242 -3.231 29.244 1.00 0.00 H ATOM 2794 HH21 ARG A 195 5.983 -2.134 28.023 1.00 0.00 H ATOM 2795 H ARG A 195 4.188 0.523 23.766 1.00 0.00 H ATOM 2796 N ILE A 196 0.458 -0.390 22.415 1.00 4.93 N ATOM 2797 CA ILE A 196 -0.896 0.191 22.600 1.00 5.06 C ATOM 2798 C ILE A 196 -1.888 -0.925 22.820 1.00 4.60 C ATOM 2799 O ILE A 196 -1.722 -2.017 22.290 1.00 5.38 O ATOM 2800 CB ILE A 196 -1.299 1.099 21.415 1.00 5.81 C ATOM 2801 CG1 ILE A 196 -1.578 0.355 20.153 1.00 5.85 C ATOM 2802 CG2 ILE A 196 -0.275 2.238 21.211 1.00 6.44 C ATOM 2803 CD1 ILE A 196 -2.087 1.224 18.985 1.00 7.05 C ATOM 2804 HA ILE A 196 -0.889 0.833 23.481 1.00 0.00 H ATOM 2805 HB ILE A 196 -2.252 1.551 21.689 1.00 0.00 H ATOM 2806 HG12 ILE A 196 -0.656 -0.132 19.836 1.00 0.00 H ATOM 2807 HG13 ILE A 196 -2.333 -0.402 20.366 1.00 0.00 H ATOM 2808 HD11 ILE A 196 -3.018 1.710 19.275 1.00 0.00 H ATOM 2809 HD12 ILE A 196 -1.340 1.981 18.744 1.00 0.00 H ATOM 2810 HD13 ILE A 196 -2.261 0.593 18.113 1.00 0.00 H ATOM 2811 HG21 ILE A 196 -0.225 2.846 22.114 1.00 0.00 H ATOM 2812 HG22 ILE A 196 0.706 1.810 21.004 1.00 0.00 H ATOM 2813 HG23 ILE A 196 -0.586 2.859 20.371 1.00 0.00 H ATOM 2814 H ILE A 196 0.611 -1.057 21.632 1.00 0.00 H ATOM 2815 N ALA A 197 -2.892 -0.648 23.621 1.00 4.94 N ATOM 2816 CA ALA A 197 -3.946 -1.640 23.868 1.00 5.04 C ATOM 2817 C ALA A 197 -4.574 -2.061 22.549 1.00 5.34 C ATOM 2818 O ALA A 197 -4.740 -1.227 21.640 1.00 6.36 O ATOM 2819 CB ALA A 197 -4.999 -1.127 24.859 1.00 6.08 C ATOM 2820 HA ALA A 197 -3.491 -2.514 24.333 1.00 0.00 H ATOM 2821 HB1 ALA A 197 -4.519 -0.896 25.810 1.00 0.00 H ATOM 2822 HB2 ALA A 197 -5.465 -0.227 24.458 1.00 0.00 H ATOM 2823 HB3 ALA A 197 -5.758 -1.895 25.010 1.00 0.00 H ATOM 2824 H ALA A 197 -2.941 0.282 24.084 1.00 0.00 H ATOM 2825 N LYS A 198 -4.908 -3.361 22.463 1.00 5.68 N ATOM 2826 CA LYS A 198 -5.465 -3.978 21.262 1.00 5.67 C ATOM 2827 C LYS A 198 -6.941 -4.306 21.478 1.00 6.82 C ATOM 2828 O LYS A 198 -7.322 -4.776 22.565 1.00 8.81 O ATOM 2829 CB LYS A 198 -4.646 -5.225 20.912 1.00 6.25 C ATOM 2830 CG LYS A 198 -5.153 -6.035 19.782 1.00 5.66 C ATOM 2831 CD LYS A 198 -4.112 -7.086 19.323 1.00 7.27 C ATOM 2832 CE LYS A 198 -4.614 -8.014 18.248 1.00 9.09 C ATOM 2833 NZ LYS A 198 -5.669 -8.909 18.738 1.00 11.04 N ATOM 2834 HA LYS A 198 -5.407 -3.286 20.422 1.00 0.00 H ATOM 2835 HB2 LYS A 198 -3.635 -4.902 20.665 1.00 0.00 H ATOM 2836 HB3 LYS A 198 -4.616 -5.864 21.795 1.00 0.00 H ATOM 2837 HG2 LYS A 198 -6.062 -6.550 20.095 1.00 0.00 H ATOM 2838 HG3 LYS A 198 -5.381 -5.374 18.946 1.00 0.00 H ATOM 2839 HD2 LYS A 198 -3.238 -6.559 18.941 1.00 0.00 H ATOM 2840 HD3 LYS A 198 -3.825 -7.685 20.187 1.00 0.00 H ATOM 2841 HE2 LYS A 198 -3.781 -8.617 17.887 1.00 0.00 H ATOM 2842 HE3 LYS A 198 -5.012 -7.418 17.427 1.00 0.00 H ATOM 2843 HZ1 LYS A 198 -5.297 -9.488 19.518 1.00 0.00 H ATOM 2844 HZ2 LYS A 198 -6.472 -8.343 19.078 1.00 0.00 H ATOM 2845 HZ3 LYS A 198 -5.983 -9.529 17.964 1.00 0.00 H ATOM 2846 H LYS A 198 -4.761 -3.961 23.300 1.00 0.00 H ATOM 2847 N GLY A 199 -7.775 -4.027 20.480 1.00 6.95 N ATOM 2848 CA GLY A 199 -9.165 -4.389 20.496 1.00 8.83 C ATOM 2849 C GLY A 199 -10.139 -3.233 20.619 1.00 9.66 C ATOM 2850 O GLY A 199 -11.350 -3.503 20.533 1.00 13.56 O ATOM 2851 HA3 GLY A 199 -9.329 -5.058 21.341 1.00 0.00 H ATOM 2852 HA2 GLY A 199 -9.386 -4.917 19.568 1.00 0.00 H ATOM 2853 H GLY A 199 -7.403 -3.523 19.649 1.00 0.00 H ATOM 2854 N SER A 200 -9.654 -1.993 20.719 1.00 9.88 N ATOM 2855 CA SER A 200 -10.545 -0.870 20.893 1.00 11.69 C ATOM 2856 C SER A 200 -10.186 0.246 19.914 1.00 10.11 C ATOM 2857 O SER A 200 -10.506 1.414 20.148 1.00 10.75 O ATOM 2858 CB SER A 200 -10.505 -0.357 22.320 1.00 13.45 C ATOM 2859 OG SER A 200 -9.219 -0.066 22.737 1.00 14.07 O ATOM 2860 HA SER A 200 -11.561 -1.207 20.686 1.00 0.00 H ATOM 2861 HB2 SER A 200 -10.924 -1.118 22.978 1.00 0.00 H ATOM 2862 HB3 SER A 200 -11.108 0.549 22.384 1.00 0.00 H ATOM 2863 HG SER A 200 -8.665 -0.885 22.689 1.00 0.00 H ATOM 2864 H SER A 200 -8.627 -1.835 20.671 1.00 0.00 H ATOM 2865 N ASN A 201 -9.512 -0.087 18.814 1.00 8.99 N ATOM 2866 CA ASN A 201 -9.082 0.913 17.782 1.00 8.28 C ATOM 2867 C ASN A 201 -8.313 2.061 18.374 1.00 6.91 C ATOM 2868 O ASN A 201 -8.448 3.224 17.969 1.00 7.42 O ATOM 2869 CB ASN A 201 -10.239 1.383 16.918 1.00 8.41 C ATOM 2870 CG ASN A 201 -9.788 1.928 15.603 1.00 8.75 C ATOM 2871 OD1 ASN A 201 -8.719 1.606 15.104 1.00 8.81 O ATOM 2872 ND2 ASN A 201 -10.635 2.768 15.002 1.00 10.54 N ATOM 2873 HA ASN A 201 -8.391 0.390 17.122 1.00 0.00 H ATOM 2874 HB2 ASN A 201 -10.905 0.540 16.737 1.00 0.00 H ATOM 2875 HB3 ASN A 201 -10.780 2.164 17.453 1.00 0.00 H ATOM 2876 HD22 ASN A 201 -11.535 3.016 15.461 1.00 0.00 H ATOM 2877 HD21 ASN A 201 -10.395 3.174 14.075 1.00 0.00 H ATOM 2878 H ASN A 201 -9.273 -1.088 18.664 1.00 0.00 H ATOM 2879 N GLN A 202 -7.451 1.763 19.326 1.00 7.28 N ATOM 2880 CA GLN A 202 -6.600 2.784 19.895 1.00 6.38 C ATOM 2881 C GLN A 202 -5.721 3.418 18.822 1.00 6.18 C ATOM 2882 O GLN A 202 -5.132 2.724 17.968 1.00 6.18 O ATOM 2883 CB GLN A 202 -5.799 2.161 21.023 1.00 7.10 C ATOM 2884 CG GLN A 202 -6.632 1.611 22.152 1.00 7.79 C ATOM 2885 CD GLN A 202 -7.381 2.738 22.865 1.00 12.46 C ATOM 2886 OE1 GLN A 202 -6.765 3.683 23.375 1.00 17.84 O ATOM 2887 NE2 GLN A 202 -8.686 2.676 22.831 1.00 12.61 N ATOM 2888 HA GLN A 202 -7.198 3.597 20.305 1.00 0.00 H ATOM 2889 HB2 GLN A 202 -5.205 1.346 20.609 1.00 0.00 H ATOM 2890 HB3 GLN A 202 -5.134 2.923 21.430 1.00 0.00 H ATOM 2891 HG2 GLN A 202 -7.353 0.898 21.752 1.00 0.00 H ATOM 2892 HG3 GLN A 202 -5.981 1.106 22.865 1.00 0.00 H ATOM 2893 HE22 GLN A 202 -9.157 1.860 22.391 1.00 0.00 H ATOM 2894 HE21 GLN A 202 -9.254 3.443 23.244 1.00 0.00 H ATOM 2895 H GLN A 202 -7.383 0.784 19.671 1.00 0.00 H ATOM 2896 N CYS A 203 -5.687 4.739 18.846 1.00 6.53 N ATOM 2897 CA CYS A 203 -4.875 5.505 17.912 1.00 6.57 C ATOM 2898 C CYS A 203 -5.344 5.320 16.452 1.00 6.30 C ATOM 2899 O CYS A 203 -4.599 5.642 15.523 1.00 6.84 O ATOM 2900 CB CYS A 203 -3.367 5.173 18.032 1.00 6.90 C ATOM 2901 SG CYS A 203 -2.713 4.989 19.643 1.00 7.79 S ATOM 2902 HA CYS A 203 -5.011 6.551 18.187 1.00 0.00 H ATOM 2903 HB2 CYS A 203 -2.815 5.976 17.544 1.00 0.00 H ATOM 2904 HB3 CYS A 203 -3.194 4.238 17.499 1.00 0.00 H ATOM 2905 H CYS A 203 -6.257 5.246 19.553 1.00 0.00 H ATOM 2906 N LEU A 204 -6.560 4.835 16.231 1.00 6.45 N ATOM 2907 CA LEU A 204 -7.094 4.562 14.908 1.00 6.60 C ATOM 2908 C LEU A 204 -6.285 3.530 14.125 1.00 6.75 C ATOM 2909 O LEU A 204 -6.262 3.520 12.882 1.00 6.69 O ATOM 2910 CB LEU A 204 -7.303 5.870 14.078 1.00 7.13 C ATOM 2911 CG LEU A 204 -8.208 6.924 14.736 1.00 8.84 C ATOM 2912 CD1 LEU A 204 -8.239 8.220 13.877 1.00 11.36 C ATOM 2913 CD2 LEU A 204 -9.597 6.388 15.067 1.00 11.57 C ATOM 2914 HA LEU A 204 -8.073 4.114 15.078 1.00 0.00 H ATOM 2915 HB2 LEU A 204 -6.326 6.322 13.909 1.00 0.00 H ATOM 2916 HB3 LEU A 204 -7.746 5.595 13.121 1.00 0.00 H ATOM 2917 HG LEU A 204 -7.775 7.182 15.703 1.00 0.00 H ATOM 2918 HD21 LEU A 204 -10.085 6.055 14.151 1.00 0.00 H ATOM 2919 HD22 LEU A 204 -9.506 5.549 15.757 1.00 0.00 H ATOM 2920 HD23 LEU A 204 -10.189 7.178 15.529 1.00 0.00 H ATOM 2921 HD11 LEU A 204 -7.229 8.621 13.790 1.00 0.00 H ATOM 2922 HD12 LEU A 204 -8.625 7.988 12.885 1.00 0.00 H ATOM 2923 HD13 LEU A 204 -8.884 8.957 14.356 1.00 0.00 H ATOM 2924 H LEU A 204 -7.166 4.639 17.053 1.00 0.00 H ATOM 2925 N VAL A 205 -5.645 2.624 14.866 1.00 5.76 N ATOM 2926 CA VAL A 205 -4.695 1.667 14.284 1.00 6.17 C ATOM 2927 C VAL A 205 -5.287 0.770 13.213 1.00 7.49 C ATOM 2928 O VAL A 205 -4.531 0.245 12.372 1.00 6.75 O ATOM 2929 CB VAL A 205 -4.030 0.839 15.420 1.00 5.84 C ATOM 2930 CG1 VAL A 205 -5.010 -0.073 16.080 1.00 7.52 C ATOM 2931 CG2 VAL A 205 -2.800 0.092 14.896 1.00 7.73 C ATOM 2932 HA VAL A 205 -3.939 2.253 13.762 1.00 0.00 H ATOM 2933 HB VAL A 205 -3.687 1.530 16.190 1.00 0.00 H ATOM 2934 HG11 VAL A 205 -5.819 0.516 16.511 1.00 0.00 H ATOM 2935 HG12 VAL A 205 -5.416 -0.764 15.341 1.00 0.00 H ATOM 2936 HG13 VAL A 205 -4.508 -0.635 16.868 1.00 0.00 H ATOM 2937 HG21 VAL A 205 -3.101 -0.584 14.096 1.00 0.00 H ATOM 2938 HG22 VAL A 205 -2.076 0.811 14.513 1.00 0.00 H ATOM 2939 HG23 VAL A 205 -2.351 -0.480 15.708 1.00 0.00 H ATOM 2940 H VAL A 205 -5.825 2.594 15.890 1.00 0.00 H ATOM 2941 N LYS A 206 -6.587 0.503 13.243 1.00 7.10 N ATOM 2942 CA LYS A 206 -7.211 -0.382 12.238 1.00 8.01 C ATOM 2943 C LYS A 206 -7.482 0.256 10.892 1.00 8.42 C ATOM 2944 O LYS A 206 -7.826 -0.419 9.948 1.00 9.09 O ATOM 2945 CB LYS A 206 -8.528 -0.971 12.771 1.00 8.42 C ATOM 2946 CG LYS A 206 -9.790 -0.130 12.505 1.00 8.32 C ATOM 2947 CD LYS A 206 -11.009 -0.711 13.257 1.00 10.04 C ATOM 2948 CE LYS A 206 -12.372 -0.065 12.867 1.00 11.06 C ATOM 2949 NZ LYS A 206 -13.479 -0.618 13.700 1.00 13.20 N ATOM 2950 HA LYS A 206 -6.465 -1.158 12.070 1.00 0.00 H ATOM 2951 HB2 LYS A 206 -8.671 -1.947 12.307 1.00 0.00 H ATOM 2952 HB3 LYS A 206 -8.428 -1.094 13.849 1.00 0.00 H ATOM 2953 HG2 LYS A 206 -9.616 0.892 12.842 1.00 0.00 H ATOM 2954 HG3 LYS A 206 -9.998 -0.127 11.435 1.00 0.00 H ATOM 2955 HD2 LYS A 206 -11.064 -1.779 13.045 1.00 0.00 H ATOM 2956 HD3 LYS A 206 -10.854 -0.562 14.326 1.00 0.00 H ATOM 2957 HE2 LYS A 206 -12.578 -0.271 11.817 1.00 0.00 H ATOM 2958 HE3 LYS A 206 -12.314 1.013 13.020 1.00 0.00 H ATOM 2959 HZ1 LYS A 206 -13.541 -1.646 13.554 1.00 0.00 H ATOM 2960 HZ2 LYS A 206 -13.289 -0.420 14.703 1.00 0.00 H ATOM 2961 HZ3 LYS A 206 -14.377 -0.172 13.422 1.00 0.00 H ATOM 2962 H LYS A 206 -7.177 0.925 13.988 1.00 0.00 H ATOM 2963 N GLU A 207 -7.358 1.563 10.796 1.00 7.43 N ATOM 2964 CA GLU A 207 -7.973 2.297 9.685 1.00 8.00 C ATOM 2965 C GLU A 207 -7.228 2.229 8.343 1.00 8.50 C ATOM 2966 O GLU A 207 -7.907 2.294 7.309 1.00 9.75 O ATOM 2967 CB GLU A 207 -8.150 3.759 10.064 1.00 9.08 C ATOM 2968 CG GLU A 207 -9.048 4.022 11.231 1.00 12.78 C ATOM 2969 CD GLU A 207 -10.475 3.574 11.131 1.00 17.29 C ATOM 2970 OE1 GLU A 207 -11.003 3.312 10.019 1.00 20.55 O ATOM 2971 OE2 GLU A 207 -11.092 3.560 12.208 1.00 18.01 O ATOM 2972 HA GLU A 207 -8.926 1.793 9.524 1.00 0.00 H ATOM 2973 HB2 GLU A 207 -7.167 4.166 10.299 1.00 0.00 H ATOM 2974 HB3 GLU A 207 -8.561 4.282 9.200 1.00 0.00 H ATOM 2975 HG2 GLU A 207 -8.611 3.524 12.096 1.00 0.00 H ATOM 2976 HG3 GLU A 207 -9.056 5.099 11.399 1.00 0.00 H ATOM 2977 H GLU A 207 -6.817 2.082 11.517 1.00 0.00 H ATOM 2978 N GLU A 208 -5.895 2.110 8.332 1.00 7.00 N ATOM 2979 CA GLU A 208 -5.102 2.171 7.106 1.00 7.77 C ATOM 2980 C GLU A 208 -3.869 1.298 7.212 1.00 6.55 C ATOM 2981 O GLU A 208 -2.738 1.777 7.258 1.00 7.46 O ATOM 2982 CB GLU A 208 -4.775 3.620 6.756 1.00 8.90 C ATOM 2983 CG GLU A 208 -5.931 4.341 6.100 1.00 12.26 C ATOM 2984 CD GLU A 208 -6.361 3.688 4.806 1.00 13.46 C ATOM 2985 OE1 GLU A 208 -5.516 3.154 4.043 1.00 16.54 O ATOM 2986 OE2 GLU A 208 -7.584 3.640 4.555 1.00 16.85 O ATOM 2987 HA GLU A 208 -5.691 1.769 6.282 1.00 0.00 H ATOM 2988 HB2 GLU A 208 -4.510 4.148 7.672 1.00 0.00 H ATOM 2989 HB3 GLU A 208 -3.926 3.630 6.073 1.00 0.00 H ATOM 2990 HG2 GLU A 208 -6.777 4.345 6.788 1.00 0.00 H ATOM 2991 HG3 GLU A 208 -5.630 5.367 5.891 1.00 0.00 H ATOM 2992 H GLU A 208 -5.401 1.968 9.236 1.00 0.00 H ATOM 2993 N ALA A 209 -4.122 -0.005 7.232 1.00 7.09 N ATOM 2994 CA ALA A 209 -3.100 -1.041 7.302 1.00 6.16 C ATOM 2995 C ALA A 209 -2.787 -1.560 5.892 1.00 5.80 C ATOM 2996 O ALA A 209 -3.713 -1.805 5.119 1.00 6.76 O ATOM 2997 CB ALA A 209 -3.565 -2.201 8.161 1.00 7.26 C ATOM 2998 HA ALA A 209 -2.206 -0.605 7.747 1.00 0.00 H ATOM 2999 HB1 ALA A 209 -3.773 -1.844 9.170 1.00 0.00 H ATOM 3000 HB2 ALA A 209 -4.471 -2.629 7.732 1.00 0.00 H ATOM 3001 HB3 ALA A 209 -2.784 -2.961 8.197 1.00 0.00 H ATOM 3002 H ALA A 209 -5.117 -0.307 7.195 1.00 0.00 H ATOM 3003 N SER A 210 -1.510 -1.777 5.591 1.00 5.44 N ATOM 3004 CA SER A 210 -1.087 -2.275 4.307 1.00 5.49 C ATOM 3005 C SER A 210 0.229 -3.013 4.365 1.00 4.53 C ATOM 3006 O SER A 210 0.962 -2.913 5.346 1.00 5.39 O ATOM 3007 CB SER A 210 -1.136 -1.230 3.257 1.00 8.82 C ATOM 3008 OG SER A 210 -0.204 -0.258 3.560 1.00 9.86 O ATOM 3009 HA SER A 210 -1.817 -3.028 4.011 1.00 0.00 H ATOM 3010 HB2 SER A 210 -2.132 -0.787 3.225 1.00 0.00 H ATOM 3011 HB3 SER A 210 -0.905 -1.672 2.288 1.00 0.00 H ATOM 3012 HG SER A 210 -0.417 0.139 4.442 1.00 0.00 H ATOM 3013 H SER A 210 -0.787 -1.579 6.312 1.00 0.00 H ATOM 3014 N SER A 211 0.574 -3.726 3.305 1.00 5.09 N ATOM 3015 CA SER A 211 1.849 -4.371 3.198 1.00 5.15 C ATOM 3016 C SER A 211 2.269 -4.516 1.757 1.00 5.38 C ATOM 3017 O SER A 211 1.460 -4.788 0.873 1.00 6.35 O ATOM 3018 CB SER A 211 1.806 -5.795 3.821 1.00 6.10 C ATOM 3019 OG SER A 211 3.074 -6.440 3.774 1.00 6.12 O ATOM 3020 HA SER A 211 2.562 -3.744 3.734 1.00 0.00 H ATOM 3021 HB2 SER A 211 1.084 -6.398 3.270 1.00 0.00 H ATOM 3022 HB3 SER A 211 1.491 -5.714 4.861 1.00 0.00 H ATOM 3023 HG SER A 211 3.365 -6.524 2.832 1.00 0.00 H ATOM 3024 H SER A 211 -0.104 -3.822 2.522 1.00 0.00 H ATOM 3025 N ALA A 212 3.581 -4.433 1.515 1.00 5.13 N ATOM 3026 CA ALA A 212 4.197 -4.935 0.298 1.00 5.80 C ATOM 3027 C ALA A 212 3.970 -6.445 0.153 1.00 6.65 C ATOM 3028 O ALA A 212 3.836 -7.153 1.151 1.00 7.15 O ATOM 3029 CB ALA A 212 5.662 -4.585 0.246 1.00 6.93 C ATOM 3030 HA ALA A 212 3.717 -4.447 -0.551 1.00 0.00 H ATOM 3031 HB1 ALA A 212 5.777 -3.501 0.274 1.00 0.00 H ATOM 3032 HB2 ALA A 212 6.171 -5.027 1.103 1.00 0.00 H ATOM 3033 HB3 ALA A 212 6.095 -4.974 -0.676 1.00 0.00 H ATOM 3034 H ALA A 212 4.190 -3.988 2.231 1.00 0.00 H ATOM 3035 N VAL A 213 3.999 -6.883 -1.115 1.00 7.20 N ATOM 3036 CA VAL A 213 4.040 -8.297 -1.486 1.00 8.58 C ATOM 3037 C VAL A 213 5.386 -8.573 -2.124 1.00 8.86 C ATOM 3038 O VAL A 213 5.758 -7.921 -3.081 1.00 8.59 O ATOM 3039 CB VAL A 213 2.887 -8.638 -2.478 1.00 9.59 C ATOM 3040 CG1 VAL A 213 3.011 -10.088 -3.011 1.00 11.66 C ATOM 3041 CG2 VAL A 213 1.538 -8.411 -1.789 1.00 12.33 C ATOM 3042 HA VAL A 213 3.907 -8.920 -0.601 1.00 0.00 H ATOM 3043 HB VAL A 213 2.958 -7.977 -3.341 1.00 0.00 H ATOM 3044 HG11 VAL A 213 3.962 -10.202 -3.532 1.00 0.00 H ATOM 3045 HG12 VAL A 213 2.967 -10.786 -2.175 1.00 0.00 H ATOM 3046 HG13 VAL A 213 2.191 -10.292 -3.700 1.00 0.00 H ATOM 3047 HG21 VAL A 213 1.466 -9.055 -0.912 1.00 0.00 H ATOM 3048 HG22 VAL A 213 1.459 -7.368 -1.483 1.00 0.00 H ATOM 3049 HG23 VAL A 213 0.732 -8.650 -2.483 1.00 0.00 H ATOM 3050 H VAL A 213 3.992 -6.176 -1.878 1.00 0.00 H ATOM 3051 N VAL A 214 6.099 -9.542 -1.555 1.00 10.28 N ATOM 3052 CA VAL A 214 7.340 -10.077 -2.091 1.00 12.85 C ATOM 3053 C VAL A 214 7.021 -11.527 -2.531 1.00 18.09 C ATOM 3054 O VAL A 214 6.454 -12.296 -1.767 1.00 20.78 O ATOM 3055 CB VAL A 214 8.499 -10.020 -1.053 1.00 12.26 C ATOM 3056 CG1 VAL A 214 9.755 -10.676 -1.630 1.00 15.04 C ATOM 3057 CG2 VAL A 214 8.760 -8.582 -0.594 1.00 13.71 C ATOM 3058 HA VAL A 214 7.693 -9.481 -2.933 1.00 0.00 H ATOM 3059 HB VAL A 214 8.205 -10.583 -0.167 1.00 0.00 H ATOM 3060 HG11 VAL A 214 9.541 -11.717 -1.871 1.00 0.00 H ATOM 3061 HG12 VAL A 214 10.057 -10.147 -2.534 1.00 0.00 H ATOM 3062 HG13 VAL A 214 10.558 -10.630 -0.895 1.00 0.00 H ATOM 3063 HG21 VAL A 214 9.032 -7.971 -1.455 1.00 0.00 H ATOM 3064 HG22 VAL A 214 7.858 -8.180 -0.132 1.00 0.00 H ATOM 3065 HG23 VAL A 214 9.575 -8.575 0.130 1.00 0.00 H ATOM 3066 H VAL A 214 5.744 -9.945 -0.664 1.00 0.00 H ATOM 3067 N GLY A 215 7.385 -11.838 -3.773 1.00 20.60 N ATOM 3068 CA GLY A 215 7.196 -13.148 -4.384 1.00 22.79 C ATOM 3069 C GLY A 215 7.718 -14.272 -3.521 1.00 23.55 C ATOM 3070 O GLY A 215 8.780 -14.259 -2.808 1.00 19.76 O ATOM 3071 HA3 GLY A 215 7.722 -13.167 -5.339 1.00 0.00 H ATOM 3072 HA2 GLY A 215 6.131 -13.304 -4.554 1.00 0.00 H ATOM 3073 H GLY A 215 7.835 -11.096 -4.346 1.00 0.00 H TER 3074 GLY A 215 HETATM 3075 O HOH 1 23.192 -13.390 0.626 1.00 19.24 O HETATM 3076 O HOH 2 24.263 -13.639 3.191 1.00 18.72 O HETATM 3077 O HOH 3 0.594 5.314 27.948 1.00 11.42 O HETATM 3078 O HOH 4 16.249 6.711 26.603 1.00 31.62 O HETATM 3079 O HOH 5 8.536 19.225 1.033 1.00 21.58 O HETATM 3080 O HOH 6 1.348 -18.204 12.661 1.00 24.87 O HETATM 3081 O HOH 7 -1.905 9.177 25.732 1.00 27.20 O HETATM 3082 O HOH 8 18.853 10.714 -13.938 1.00 23.08 O HETATM 3083 O HOH 9 17.813 17.851 13.051 1.00 32.77 O HETATM 3084 O HOH 10 -3.608 -3.157 -3.315 1.00 26.72 O HETATM 3085 O HOH 11 2.756 -12.271 28.170 1.00 27.27 O HETATM 3086 O HOH 12 12.737 -19.335 9.549 1.00 27.29 O HETATM 3087 O HOH 13 4.999 -9.676 23.574 1.00 21.45 O HETATM 3088 O HOH 14 25.085 7.183 -5.869 1.00 30.10 O HETATM 3089 O HOH 15 20.791 -10.605 7.626 1.00 25.91 O HETATM 3090 O HOH 16 2.938 -18.733 15.181 1.00 32.86 O HETATM 3091 O HOH 17 26.218 -1.314 7.379 1.00 35.20 O HETATM 3092 O HOH 18 18.779 12.887 -11.831 1.00 35.32 O HETATM 3093 O HOH 19 3.197 -16.658 13.887 1.00 31.22 O HETATM 3094 O HOH 20 -12.790 5.595 13.187 1.00 32.87 O HETATM 3095 O HOH 21 25.013 10.257 -7.968 1.00 18.49 O HETATM 3096 O HOH 22 -11.697 7.952 11.530 1.00 33.75 O HETATM 3097 O HOH 23 21.006 1.582 13.927 1.00 27.57 O HETATM 3098 O HOH 24 -4.610 6.061 -1.822 1.00 35.81 O HETATM 3099 O HOH 25 26.896 9.324 -9.802 1.00 11.50 O HETATM 3100 O HOH 26 28.768 8.750 -7.646 1.00 22.18 O HETATM 3101 O HOH 27 -3.136 -20.305 23.070 1.00 33.94 O HETATM 3102 O HOH 28 7.725 -12.411 23.262 1.00 25.22 O HETATM 3103 O HOH 29 10.612 17.529 -1.775 1.00 24.50 O HETATM 3104 O HOH 30 10.173 8.047 -13.191 1.00 28.97 O HETATM 3105 O HOH 31 8.260 4.764 31.646 1.00 21.93 O HETATM 3106 O HOH 32 -13.934 10.264 19.526 1.00 34.20 O HETATM 3107 O HOH 33 -3.616 5.152 0.868 1.00 31.89 O HETATM 3108 O HOH 34 23.267 -4.617 3.290 1.00 24.71 O HETATM 3109 O HOH 35 23.013 -6.423 1.071 1.00 23.99 O HETATM 3110 O HOH 36 8.634 -17.648 10.072 1.00 29.18 O HETATM 3111 O HOH 37 7.669 -17.041 7.552 1.00 29.97 O HETATM 3112 O HOH 38 -11.093 -4.396 27.442 1.00 28.08 O HETATM 3113 O HOH 39 6.493 5.598 -16.313 1.00 28.11 O HETATM 3114 O HOH 40 -2.915 11.092 4.540 1.00 15.28 O HETATM 3115 O HOH 41 10.666 17.727 0.863 1.00 19.72 O HETATM 3116 O HOH 42 4.134 -10.938 21.781 1.00 13.07 O HETATM 3117 O HOH 43 3.181 5.165 -9.023 1.00 10.72 O HETATM 3118 O HOH 44 9.202 -17.658 -3.202 1.00 26.65 O HETATM 3119 O HOH 45 -3.933 2.014 10.294 1.00 7.18 O HETATM 3120 O HOH 46 8.903 12.076 -2.005 1.00 9.41 O HETATM 3121 O HOH 47 -3.756 -16.169 11.557 1.00 10.04 O HETATM 3122 O HOH 48 10.049 8.449 25.512 1.00 9.60 O HETATM 3123 O HOH 49 12.595 2.850 12.740 1.00 10.88 O HETATM 3124 O HOH 50 12.363 -3.477 9.634 1.00 9.74 O HETATM 3125 O HOH 51 14.775 15.301 -7.099 1.00 14.28 O HETATM 3126 O HOH 52 22.071 -1.546 3.773 1.00 19.46 O HETATM 3127 O HOH 53 -8.142 10.395 10.179 1.00 17.15 O HETATM 3128 O HOH 54 12.563 9.974 -9.447 1.00 14.68 O HETATM 3129 O HOH 55 17.933 6.044 3.322 1.00 13.85 O HETATM 3130 O HOH 56 -6.678 -10.231 6.966 1.00 12.28 O HETATM 3131 O HOH 57 17.992 -11.843 10.635 1.00 11.87 O HETATM 3132 O HOH 58 -6.893 -0.986 20.016 1.00 6.69 O HETATM 3133 O HOH 59 8.113 2.590 11.816 1.00 10.55 O HETATM 3134 O HOH 60 -2.076 5.132 28.702 1.00 8.53 O HETATM 3135 O HOH 61 8.545 9.642 -9.447 1.00 11.89 O HETATM 3136 O HOH 62 14.391 -8.351 14.624 1.00 12.61 O HETATM 3137 O HOH 63 17.871 5.547 15.390 1.00 17.81 O HETATM 3138 O HOH 64 3.536 -14.603 3.230 1.00 18.74 O HETATM 3139 O HOH 65 12.306 15.521 -2.195 1.00 25.99 O HETATM 3140 O HOH 66 7.756 5.203 11.407 1.00 10.11 O HETATM 3141 O HOH 67 11.351 5.333 17.861 1.00 8.70 O HETATM 3142 O HOH 68 -0.882 4.304 3.098 1.00 10.78 O HETATM 3143 O HOH 69 -4.229 0.832 3.580 1.00 12.88 O HETATM 3144 O HOH 70 7.330 -12.156 2.491 1.00 14.96 O HETATM 3145 O HOH 71 -1.130 1.989 4.918 1.00 12.39 O HETATM 3146 O HOH 72 -2.522 9.907 19.802 1.00 8.86 O HETATM 3147 O HOH 73 15.450 -6.799 4.421 1.00 14.34 O HETATM 3148 O HOH 74 8.920 0.618 -13.205 1.00 19.22 O HETATM 3149 O HOH 75 2.483 -1.821 -5.253 1.00 13.09 O HETATM 3150 O HOH 76 6.507 8.993 -11.121 1.00 12.61 O HETATM 3151 O HOH 77 9.271 0.958 10.046 1.00 9.60 O HETATM 3152 O HOH 78 16.733 -1.227 17.509 1.00 15.05 O HETATM 3153 O HOH 79 4.145 -17.900 8.736 1.00 19.55 O HETATM 3154 O HOH 80 -14.727 -7.676 7.210 1.00 23.46 O HETATM 3155 O HOH 81 9.461 -9.688 -5.194 1.00 27.90 O HETATM 3156 O HOH 82 11.294 -13.340 -3.428 1.00 24.49 O HETATM 3157 O HOH 83 10.710 -2.833 22.845 1.00 11.63 O HETATM 3158 O HOH 84 15.232 -1.367 19.876 1.00 13.95 O HETATM 3159 O HOH 85 17.234 -14.284 11.680 1.00 10.50 O HETATM 3160 O HOH 86 -3.259 -18.924 11.211 1.00 11.58 O HETATM 3161 O HOH 87 19.018 -12.325 8.083 1.00 12.80 O HETATM 3162 O HOH 88 7.568 -5.481 23.416 1.00 17.63 O HETATM 3163 O HOH 89 5.852 -14.932 6.583 1.00 18.09 O HETATM 3164 O HOH 90 -8.664 -2.527 23.950 1.00 13.82 O HETATM 3165 O HOH 91 -6.325 -11.313 17.414 1.00 21.68 O HETATM 3166 O HOH 92 10.428 14.171 -3.657 1.00 18.65 O HETATM 3167 O HOH 93 19.396 -3.366 11.432 1.00 19.12 O HETATM 3168 O HOH 94 -5.517 14.198 16.743 1.00 20.25 O HETATM 3169 O HOH 95 19.298 -0.498 17.936 1.00 20.62 O HETATM 3170 O HOH 96 -2.295 -7.084 -4.459 1.00 17.67 O HETATM 3171 O HOH 97 -2.898 14.447 9.372 1.00 17.40 O HETATM 3172 O HOH 98 17.646 -1.438 21.476 1.00 29.82 O HETATM 3173 O HOH 99 5.213 -13.474 22.037 1.00 21.18 O HETATM 3174 O HOH 100 14.248 3.770 25.304 1.00 20.99 O HETATM 3175 O HOH 101 13.042 0.962 8.137 1.00 13.73 O HETATM 3176 O HOH 102 19.661 2.075 11.651 1.00 35.10 O HETATM 3177 O HOH 103 3.279 -17.601 3.724 1.00 21.56 O HETATM 3178 O HOH 104 -13.088 3.578 16.390 1.00 23.37 O HETATM 3179 O HOH 105 15.221 5.721 -8.660 1.00 13.88 O HETATM 3180 O HOH 106 -0.324 -4.089 -6.030 1.00 16.34 O HETATM 3181 O HOH 107 7.780 -2.823 23.174 1.00 13.28 O HETATM 3182 O HOH 108 7.901 -5.548 -9.559 1.00 17.92 O HETATM 3183 O HOH 109 17.584 4.856 -9.939 1.00 10.93 O HETATM 3184 O HOH 110 1.940 9.876 26.072 1.00 16.20 O HETATM 3185 O HOH 111 12.765 19.215 1.547 1.00 22.19 O HETATM 3186 O HOH 112 20.161 13.445 7.789 1.00 25.48 O HETATM 3187 O HOH 113 -7.761 -10.536 4.413 1.00 19.48 O HETATM 3188 O HOH 114 18.541 5.559 18.001 1.00 15.17 O HETATM 3189 O HOH 115 -10.691 4.669 18.858 1.00 19.67 O HETATM 3190 O HOH 116 -0.441 -6.114 29.439 1.00 16.45 O HETATM 3191 O HOH 117 -0.277 14.673 9.086 1.00 20.45 O HETATM 3192 O HOH 118 -9.724 10.023 21.283 1.00 18.76 O HETATM 3193 O HOH 119 22.626 -3.460 -7.395 1.00 17.94 O HETATM 3194 O HOH 120 -13.645 2.092 9.551 1.00 28.41 O HETATM 3195 O HOH 121 1.168 -1.113 31.117 1.00 13.42 O HETATM 3196 O HOH 122 19.175 1.859 16.343 1.00 17.18 O HETATM 3197 O HOH 123 11.901 1.153 10.533 1.00 11.22 O HETATM 3198 O HOH 124 -1.259 -19.574 20.923 1.00 22.57 O HETATM 3199 O HOH 125 17.895 -6.445 13.842 1.00 29.05 O HETATM 3200 O HOH 126 13.749 -3.945 20.082 1.00 19.57 O HETATM 3201 O HOH 127 4.541 1.941 -15.008 1.00 26.45 O HETATM 3202 O HOH 128 18.154 -0.066 11.076 1.00 17.67 O HETATM 3203 O HOH 129 21.900 -3.922 5.874 1.00 23.17 O HETATM 3204 O HOH 130 7.901 -3.531 -11.568 1.00 15.17 O HETATM 3205 O HOH 131 17.813 11.696 10.989 1.00 21.80 O HETATM 3206 O HOH 132 4.774 -6.674 -10.324 1.00 21.76 O HETATM 3207 O HOH 133 5.541 -13.122 4.485 1.00 12.69 O HETATM 3208 O HOH 134 0.298 -14.654 25.617 1.00 24.79 O HETATM 3209 O HOH 135 -4.512 8.602 4.807 1.00 29.30 O HETATM 3210 O HOH 136 2.112 14.191 22.458 1.00 22.27 O HETATM 3211 O HOH 137 11.238 3.275 28.545 1.00 15.98 O HETATM 3212 O HOH 138 20.441 3.593 17.959 1.00 24.29 O HETATM 3213 O HOH 139 -11.342 -3.312 24.777 1.00 25.03 O HETATM 3214 O HOH 140 10.990 -9.924 21.102 1.00 29.94 O HETATM 3215 O HOH 141 -13.785 -3.339 13.213 1.00 23.70 O HETATM 3216 O HOH 142 21.310 6.009 6.628 1.00 22.92 O HETATM 3217 O HOH 143 -3.557 14.384 14.556 1.00 24.05 O HETATM 3218 O HOH 144 -11.529 -4.097 14.950 1.00 17.14 O HETATM 3219 O HOH 145 -7.527 -6.069 29.872 1.00 20.02 O HETATM 3220 O HOH 146 6.760 11.850 13.011 1.00 18.06 O HETATM 3221 O HOH 147 18.411 0.105 -10.396 1.00 13.55 O HETATM 3222 O HOH 148 1.454 -4.899 -8.576 1.00 20.34 O HETATM 3223 O HOH 149 23.695 11.485 4.706 1.00 25.65 O HETATM 3224 O HOH 150 -5.755 -11.346 27.979 1.00 25.84 O HETATM 3225 O HOH 151 -13.953 -9.759 12.090 1.00 25.70 O HETATM 3226 O HOH 152 18.482 13.049 13.246 1.00 28.58 O HETATM 3227 O HOH 153 -8.245 -7.587 19.064 1.00 22.70 O HETATM 3228 O HOH 154 7.039 -9.909 22.659 1.00 20.34 O HETATM 3229 O HOH 155 -13.298 -0.375 16.500 1.00 32.77 O HETATM 3230 O HOH 156 20.218 -10.239 11.031 1.00 16.80 O HETATM 3231 O HOH 157 6.526 18.783 -1.037 1.00 20.86 O HETATM 3232 O HOH 158 17.474 5.231 5.948 1.00 18.00 O HETATM 3233 O HOH 159 6.063 -7.743 24.169 1.00 16.15 O HETATM 3234 O HOH 160 -11.305 -2.134 16.744 1.00 18.49 O HETATM 3235 O HOH 161 -11.239 -6.580 15.877 1.00 22.27 O HETATM 3236 O HOH 162 1.561 -2.271 -7.764 1.00 23.77 O HETATM 3237 O HOH 163 21.446 -1.869 11.698 1.00 25.57 O HETATM 3238 O HOH 164 10.565 10.554 -11.202 1.00 19.04 O HETATM 3239 O HOH 165 10.435 5.225 -14.209 1.00 20.46 O HETATM 3240 O HOH 166 -10.806 -7.416 18.284 1.00 24.52 O HETATM 3241 O HOH 167 22.344 8.578 7.646 1.00 36.67 O HETATM 3242 O HOH 168 13.378 2.093 27.163 1.00 28.38 O HETATM 3243 O HOH 169 10.978 -16.780 10.497 1.00 20.20 O HETATM 3244 O HOH 170 15.596 -8.986 17.012 1.00 29.30 O HETATM 3245 O HOH 171 15.564 -15.323 5.450 1.00 22.29 O HETATM 3246 O HOH 172 -0.933 4.582 -9.060 1.00 26.42 O HETATM 3247 O HOH 173 -3.533 14.933 21.159 1.00 23.43 O HETATM 3248 O HOH 174 -14.349 10.599 17.147 1.00 26.91 O HETATM 3249 O HOH 175 2.137 -7.400 29.726 1.00 18.75 O HETATM 3250 O HOH 176 18.193 -17.328 0.724 1.00 19.30 O HETATM 3251 O HOH 177 1.336 -16.860 23.996 1.00 27.63 O HETATM 3252 O HOH 178 14.700 -8.129 19.523 1.00 33.48 O HETATM 3253 O HOH 179 10.381 18.521 7.431 1.00 29.08 O HETATM 3254 O HOH 180 0.549 -9.158 31.432 1.00 23.89 O HETATM 3255 O HOH 181 -8.332 6.108 23.768 1.00 23.45 O HETATM 3256 O HOH 182 12.264 -0.878 27.048 1.00 30.22 O HETATM 3257 O HOH 183 20.185 0.037 20.436 1.00 26.23 O HETATM 3258 O HOH 184 -5.046 -14.547 19.322 1.00 18.64 O HETATM 3259 O HOH 185 -6.627 -4.603 25.322 1.00 21.53 O HETATM 3260 O HOH 186 -2.580 2.295 -8.289 1.00 35.28 O HETATM 3261 O HOH 187 -8.150 -8.518 2.611 1.00 20.89 O HETATM 3262 O HOH 188 7.829 9.382 -13.504 1.00 17.84 O HETATM 3263 O HOH 189 -13.436 -7.857 15.151 1.00 27.35 O HETATM 3264 O HOH 190 14.497 -9.961 -6.706 1.00 21.33 O HETATM 3265 O HOH 191 -7.016 -15.497 17.680 1.00 23.69 O HETATM 3266 O HOH 192 -12.373 -6.127 20.142 1.00 27.59 O HETATM 3267 O HOH 193 -13.184 -11.008 15.949 1.00 27.28 O HETATM 3268 O HOH 194 3.973 -13.863 -1.860 1.00 26.66 O HETATM 3269 O HOH 195 20.490 16.108 7.014 1.00 25.27 O HETATM 3270 O HOH 196 -6.670 -12.630 15.236 1.00 23.60 O HETATM 3271 O HOH 197 -11.782 7.113 17.802 1.00 24.36 O HETATM 3272 O HOH 198 1.471 -3.814 31.389 1.00 21.55 O HETATM 3273 O HOH 199 18.733 4.610 23.415 1.00 23.99 O HETATM 3274 O HOH 200 8.353 -0.126 29.783 1.00 19.26 O HETATM 3275 O HOH 201 7.001 -14.482 0.837 1.00 33.89 O HETATM 3276 O HOH 202 14.135 11.912 -10.363 1.00 28.45 O HETATM 3277 O HOH 203 23.345 -0.496 -8.999 1.00 21.18 O HETATM 3278 O HOH 204 1.028 -17.790 21.193 1.00 24.15 O HETATM 3279 O HOH 205 3.520 -11.522 -6.296 1.00 26.79 O HETATM 3280 O HOH 206 -14.502 -1.608 10.253 1.00 29.21 O HETATM 3281 O HOH 207 -8.593 15.255 10.300 1.00 31.76 O HETATM 3282 O HOH 208 19.220 -8.405 -0.196 1.00 21.14 O HETATM 3283 O HOH 209 -14.940 -11.223 9.634 1.00 24.64 O HETATM 3284 O HOH 210 19.507 7.804 19.507 1.00 22.82 O HETATM 3285 O HOH 211 21.757 -8.857 2.252 1.00 21.79 O HETATM 3286 O HOH 212 -15.340 -6.067 10.912 1.00 37.90 O HETATM 3287 O HOH 213 1.087 13.867 27.617 1.00 30.69 O HETATM 3288 O HOH 214 19.730 6.698 13.821 1.00 29.53 O HETATM 3289 O HOH 215 -13.280 6.337 15.590 1.00 25.81 O HETATM 3290 O HOH 216 20.588 2.628 20.530 1.00 28.98 O HETATM 3291 O HOH 217 21.411 -1.990 16.928 1.00 31.15 O HETATM 3292 O HOH 218 17.659 -15.451 -1.221 1.00 21.64 O HETATM 3293 O HOH 219 22.002 -5.857 -5.909 1.00 21.66 O HETATM 3294 O HOH 220 17.311 6.388 -6.695 1.00 22.20 O HETATM 3295 O HOH 221 4.276 -15.635 23.489 1.00 33.24 O HETATM 3296 O HOH 222 13.858 16.217 -3.945 1.00 26.41 O HETATM 3297 O HOH 223 -12.302 -11.831 12.691 1.00 35.52 O HETATM 3298 O HOH 224 -0.721 -6.791 -8.826 1.00 30.24 O HETATM 3299 O HOH 225 17.986 17.837 5.732 1.00 21.84 O HETATM 3300 O HOH 226 12.871 11.281 19.648 1.00 25.68 O HETATM 3301 O HOH 227 -0.526 -5.310 31.991 1.00 24.53 O HETATM 3302 O HOH 228 26.823 5.854 0.407 1.00 21.53 O HETATM 3303 O HOH 229 2.349 -19.415 10.163 1.00 29.65 O HETATM 3304 O HOH 230 9.601 -7.294 -10.067 1.00 27.99 O HETATM 3305 O HOH 231 -3.132 -12.279 31.576 1.00 29.49 O HETATM 3306 O HOH 232 2.526 6.039 -6.430 1.00 8.59 O HETATM 3307 O HOH 233 -9.419 -11.452 18.542 1.00 32.50 O HETATM 3308 O HOH 234 -11.261 8.061 21.979 1.00 27.33 O HETATM 3309 O HOH 235 -5.364 -11.494 32.591 1.00 30.27 O HETATM 3310 O HOH 236 -12.322 14.503 16.192 1.00 20.73 O HETATM 3311 O HOH 237 12.740 -17.108 8.370 1.00 30.97 O HETATM 3312 O HOH 238 -2.875 -5.562 -6.361 1.00 35.83 O HETATM 3313 O HOH 239 16.477 20.032 12.683 1.00 36.25 O HETATM 3314 O HOH 240 -6.837 5.589 29.893 1.00 23.77 O HETATM 3315 O HOH 241 10.576 -9.212 -8.340 1.00 27.41 O HETATM 3316 O HOH 242 7.111 1.722 31.739 1.00 31.23 O HETATM 3317 O HOH 243 0.008 -7.655 -5.863 1.00 30.04 O HETATM 3318 O HOH 244 8.076 3.358 -15.190 1.00 30.45 O HETATM 3319 O HOH 245 -8.142 9.420 25.267 1.00 35.59 O HETATM 3320 O HOH 246 -0.887 -19.393 12.639 1.00 20.92 O HETATM 3321 O HOH 247 -16.162 -10.290 13.523 1.00 33.46 O HETATM 3322 O HOH 248 1.826 7.870 27.911 1.00 11.68 O HETATM 3323 O HOH 249 12.125 -17.738 5.610 1.00 39.32 O HETATM 3324 O HOH 250 -11.885 -10.168 18.441 1.00 28.76 O HETATM 3325 O HOH 251 -2.221 14.701 23.580 1.00 25.56 O HETATM 3326 O HOH 252 -5.900 7.645 31.403 1.00 16.47 O HETATM 3327 O HOH 253 0.661 -10.075 -6.527 1.00 28.13 O HETATM 3328 O HOH 254 -9.997 -12.656 11.964 1.00 21.17 O HETATM 3329 O HOH 255 21.358 7.612 21.588 1.00 27.86 O HETATM 3330 O HOH 256 -8.511 -13.599 14.185 1.00 24.09 O HETATM 3331 O HOH 257 5.305 -13.578 -7.854 1.00 23.98 O HETATM 3332 O HOH 258 15.572 12.339 20.074 1.00 35.79 O HETATM 3333 O HOH 259 19.648 -11.388 -1.399 1.00 31.17 O HETATM 3334 O HOH 260 20.093 -7.024 -7.496 1.00 25.32 O HETATM 3335 O HOH 261 -8.757 11.787 25.412 1.00 28.25 O HETATM 3336 O HOH 262 22.018 -10.640 0.037 1.00 23.20 O HETATM 3337 O HOH 263 19.965 -14.054 -1.914 1.00 20.20 O HETATM 3338 O HOH 264 -2.011 -20.854 14.833 1.00 33.02 O HETATM 3339 O HOH 265 20.894 8.602 23.786 1.00 28.23 O HETATM 3340 C1 KB A 2 0.879 13.317 -1.389 1.00 0.01 C HETATM 3341 N2 KB A 2 1.352 14.003 -0.363 1.00 -0.30 N HETATM 3342 C3 KB A 2 0.869 13.788 0.896 1.00 0.04 C HETATM 3343 C4 KB A 2 -0.100 12.771 1.139 1.00 -0.00 C HETATM 3344 C5 KB A 2 -0.619 12.112 0.028 1.00 -0.04 C HETATM 3345 C6 KB A 2 -0.092 12.397 -1.199 1.00 -0.03 C HETATM 3346 H KB A 2 -0.473 11.857 -2.066 1.00 0.07 H HETATM 3347 H KB A 2 -1.426 11.387 0.135 1.00 0.08 H HETATM 3348 C7 KB A 2 -0.507 12.548 2.470 1.00 -0.04 C HETATM 3349 C8 KB A 2 0.051 13.268 3.520 1.00 0.01 C HETATM 3350 C9 KB A 2 0.991 14.284 3.268 1.00 -0.05 C HETATM 3351 C10 KB A 2 1.405 14.529 1.963 1.00 -0.04 C HETATM 3352 H KB A 2 2.150 15.300 1.767 1.00 0.06 H HETATM 3353 H KB A 2 1.393 14.876 4.091 1.00 0.06 H HETATM 3354 C11 KB A 2 -0.324 12.915 4.985 1.00 -0.00 C HETATM 3355 N12 KB A 2 -0.145 11.391 5.168 1.00 0.19 N HETATM 3356 C13 KB A 2 0.245 10.920 6.529 1.00 -0.01 C HETATM 3357 C14 KB A 2 1.606 11.579 6.865 1.00 0.10 C HETATM 3358 N15 KB A 2 2.652 11.432 5.986 1.00 -0.19 N HETATM 3359 N16 KB A 2 3.672 12.039 6.463 1.00 -0.05 N HETATM 3360 N17 KB A 2 3.331 12.508 7.611 1.00 -0.10 N HETATM 3361 C18 KB A 2 2.036 12.271 7.923 1.00 0.13 C HETATM 3362 H KB A 2 1.483 12.570 8.814 1.00 0.16 H HETATM 3363 C19 KB A 2 4.339 13.299 8.361 1.00 0.17 C HETATM 3364 C20 KB A 2 5.173 12.433 9.304 1.00 0.14 C HETATM 3365 O21 KB A 2 6.408 12.541 9.354 1.00 -0.39 O HETATM 3366 C22 KB A 2 4.526 11.385 10.102 1.00 0.01 C HETATM 3367 H KB A 2 4.903 10.410 9.793 1.00 0.05 H HETATM 3368 H KB A 2 4.748 11.544 11.157 1.00 0.05 H HETATM 3369 H KB A 2 3.448 11.425 9.947 1.00 0.05 H HETATM 3370 C23 KB A 2 3.728 14.482 9.042 1.00 -0.00 C HETATM 3371 C24 KB A 2 3.254 15.490 7.965 1.00 -0.05 C HETATM 3372 C25 KB A 2 4.397 16.139 7.183 1.00 -0.06 C HETATM 3373 C26 KB A 2 5.003 17.382 7.865 1.00 -0.07 C HETATM 3374 H KB A 2 4.229 18.140 7.990 1.00 0.02 H HETATM 3375 H KB A 2 5.400 17.102 8.841 1.00 0.02 H HETATM 3376 H KB A 2 5.806 17.780 7.245 1.00 0.02 H HETATM 3377 H KB A 2 3.988 16.464 6.226 1.00 0.03 H HETATM 3378 H KB A 2 5.192 15.398 7.100 1.00 0.03 H HETATM 3379 H KB A 2 2.718 16.287 8.479 1.00 0.03 H HETATM 3380 H KB A 2 2.642 14.939 7.250 1.00 0.03 H HETATM 3381 H KB A 2 4.465 14.955 9.691 1.00 0.03 H HETATM 3382 H KB A 2 2.880 14.162 9.647 1.00 0.03 H HETATM 3383 H KB A 2 5.040 13.698 7.627 1.00 0.10 H HETATM 3384 C27 KB A 2 0.415 9.366 6.458 1.00 -0.03 C HETATM 3385 C28 KB A 2 -0.825 8.592 6.117 1.00 -0.07 C HETATM 3386 H KB A 2 -1.589 8.783 6.870 1.00 0.02 H HETATM 3387 H KB A 2 -1.190 8.906 5.139 1.00 0.02 H HETATM 3388 H KB A 2 -0.593 7.527 6.095 1.00 0.02 H HETATM 3389 C29 KB A 2 1.069 8.793 7.759 1.00 -0.07 C HETATM 3390 H KB A 2 2.054 9.240 7.896 1.00 0.02 H HETATM 3391 H KB A 2 0.438 9.030 8.616 1.00 0.02 H HETATM 3392 H KB A 2 1.169 7.711 7.668 1.00 0.02 H HETATM 3393 H KB A 2 1.088 9.221 5.613 1.00 0.02 H HETATM 3394 C30 KB A 2 -0.865 11.322 7.552 1.00 -0.05 C HETATM 3395 H KB A 2 -0.976 12.406 7.558 1.00 0.02 H HETATM 3396 H KB A 2 -1.809 10.861 7.262 1.00 0.02 H HETATM 3397 H KB A 2 -0.582 10.979 8.547 1.00 0.02 H HETATM 3398 H KB A 2 0.619 11.122 4.548 1.00 0.20 H HETATM 3399 H KB A 2 -1.057 10.976 4.978 1.00 0.20 H HETATM 3400 H KB A 2 -1.356 13.201 5.190 1.00 0.10 H HETATM 3401 H KB A 2 0.318 13.456 5.680 1.00 0.10 H HETATM 3402 H KB A 2 -1.271 11.799 2.679 1.00 0.06 H HETATM 3403 H KB A 2 1.273 13.494 -2.390 1.00 0.08 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 310 309 892 CONECT 804 803 1425 CONECT 892 310 891 CONECT 1425 804 1424 CONECT 2166 2165 2901 CONECT 2901 2166 2900 CONECT 3340 3341 3345 3403 CONECT 3341 3340 3342 CONECT 3342 3341 3343 3351 CONECT 3343 3342 3344 3348 CONECT 3344 3343 3345 3347 CONECT 3345 3340 3344 3346 CONECT 3346 3345 CONECT 3347 3344 CONECT 3348 3343 3349 3402 CONECT 3349 3348 3350 3354 CONECT 3350 3349 3351 3353 CONECT 3351 3342 3350 3352 CONECT 3352 3351 CONECT 3353 3350 CONECT 3354 3349 3355 3400 3401 CONECT 3355 3354 3356 3398 3399 CONECT 3356 3355 3357 3384 3394 CONECT 3357 3356 3358 3361 CONECT 3358 3357 3359 CONECT 3359 3358 3360 CONECT 3360 3359 3361 3363 CONECT 3361 3357 3360 3362 CONECT 3362 3361 CONECT 3363 3360 3364 3370 3383 CONECT 3364 3363 3365 3366 CONECT 3365 3364 CONECT 3366 3364 3367 3368 3369 CONECT 3367 3366 CONECT 3368 3366 CONECT 3369 3366 CONECT 3370 3363 3371 3381 3382 CONECT 3371 3370 3372 3379 3380 CONECT 3372 3371 3373 3377 3378 CONECT 3373 3372 3374 3375 3376 CONECT 3374 3373 CONECT 3375 3373 CONECT 3376 3373 CONECT 3377 3372 CONECT 3378 3372 CONECT 3379 3371 CONECT 3380 3371 CONECT 3381 3370 CONECT 3382 3370 CONECT 3383 3363 CONECT 3384 3356 3385 3389 3393 CONECT 3385 3384 3386 3387 3388 CONECT 3386 3385 CONECT 3387 3385 CONECT 3388 3385 CONECT 3389 3384 3390 3391 3392 CONECT 3390 3389 CONECT 3391 3389 CONECT 3392 3389 CONECT 3393 3384 CONECT 3394 3356 3395 3396 3397 CONECT 3395 3394 CONECT 3396 3394 CONECT 3397 3394 CONECT 3398 3355 CONECT 3399 3355 CONECT 3400 3354 CONECT 3401 3354 CONECT 3402 3348 CONECT 3403 3340 MASTER 0 0 0 0 0 0 0 0 3402 1 74 17 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3iut
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1me3
RCSB PDB
PDBbind
215aa, >1ME3_1|Chain... at 99%
1me4
RCSB PDB
PDBbind
215aa, >1ME4_1|Chain... at 99%
1u9q
RCSB PDB
PDBbind
215aa, >1U9Q_1|Chain... at 99%
2oz2
RCSB PDB
PDBbind
215aa, >2OZ2_1|Chains... at 99%
3hd3
RCSB PDB
PDBbind
215aa, >3HD3_1|Chains... at 100%
3i06
RCSB PDB
PDBbind
215aa, >3I06_1|Chain... at 99%
3kku
RCSB PDB
PDBbind
215aa, >3KKU_1|Chain... at 99%
3lxs
RCSB PDB
PDBbind
215aa, >3LXS_1|Chains... at 99%
4klb
RCSB PDB
PDBbind
215aa, >4KLB_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3iut
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cruzipain
Ligand Name
KB2
EC.Number
E.C.3.4.22.51
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=0.46uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Med.Chem. Vol. 53: pp. 1763-1773
Ligand Properties
Formula
C
2
4
H
3
4
N
5
O
Molecular Weight
408.560
Exact Mass
408.276
No. of atoms
64
No. of bonds
66
Polar Surface Area
77.28
LOGP Value
4.09 (
Computed with XLOGP3
)
3.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CCCC[C@H](n1nnc(c1)[C@](C(C)C)([NH2+]Cc1ccc2c(c1)cccn2)C)C(=O)C
InChI String
InChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/p+1/t22-,24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25779
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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