Browse entries in the PDBbind-CN Database
HEADER 4J4N_COMPLEX COMPND 4J4N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 PHE GLU LYS VAL GLU LEU THR ALA ASP GLY GLY VAL ILE SEQRES 2 A 123 LYS THR ILE LEU LYS LYS GLY ASP GLU GLY GLU GLU ASN SEQRES 3 A 123 ILE PRO LYS LYS GLY ASN GLU VAL THR VAL HIS TYR VAL SEQRES 4 A 123 GLY LYS LEU GLU SER THR GLY LYS VAL PHE ASP SER SER SEQRES 5 A 123 PHE ASP ARG ASN VAL PRO PHE LYS PHE HIS LEU GLU GLN SEQRES 6 A 123 GLY GLU VAL ILE LYS GLY TRP ASP ILE CYS VAL SER SER SEQRES 7 A 123 MET ARG LYS ASN GLU LYS CYS LEU VAL ARG ILE GLU SER SEQRES 8 A 123 MET TYR GLY TYR GLY ASP GLU GLY CYS GLY GLU SER ILE SEQRES 9 A 123 PRO GLY ASN SER VAL LEU LEU PHE GLU ILE GLU LEU LEU SEQRES 10 A 123 SER PHE ARG GLU LEU GLU HET D A 44 38 ATOM 1 N PHE A 7 -0.272 24.654 -11.947 1.00 89.83 N ATOM 2 CA PHE A 7 -0.510 26.079 -11.529 1.00 93.71 C ATOM 3 C PHE A 7 -1.063 27.034 -12.617 1.00 93.80 C ATOM 4 O PHE A 7 -2.131 27.616 -12.414 1.00 95.01 O ATOM 5 CB PHE A 7 0.733 26.673 -10.838 1.00 97.32 C ATOM 6 CG PHE A 7 0.575 26.856 -9.347 1.00100.77 C ATOM 7 CD1 PHE A 7 0.309 28.127 -8.813 1.00105.33 C ATOM 8 CD2 PHE A 7 0.691 25.768 -8.472 1.00100.21 C ATOM 9 CE1 PHE A 7 0.156 28.310 -7.433 1.00107.91 C ATOM 10 CE2 PHE A 7 0.542 25.939 -7.088 1.00102.83 C ATOM 11 CZ PHE A 7 0.272 27.209 -6.570 1.00106.89 C ATOM 12 HA PHE A 7 -1.329 26.006 -10.813 1.00 0.00 H ATOM 13 HB2 PHE A 7 1.576 26.005 -11.015 1.00 0.00 H ATOM 14 HB3 PHE A 7 0.942 27.646 -11.283 1.00 0.00 H ATOM 15 HD2 PHE A 7 0.900 24.776 -8.872 1.00 0.00 H ATOM 16 HE2 PHE A 7 0.636 25.084 -6.418 1.00 0.00 H ATOM 17 HZ PHE A 7 0.151 27.344 -5.495 1.00 0.00 H ATOM 18 HE1 PHE A 7 -0.052 29.302 -7.031 1.00 0.00 H ATOM 19 HD1 PHE A 7 0.220 28.983 -9.482 1.00 0.00 H ATOM 20 HN3 PHE A 7 0.419 24.633 -12.724 1.00 0.00 H ATOM 21 HN2 PHE A 7 -1.168 24.234 -12.267 1.00 0.00 H ATOM 22 HN1 PHE A 7 0.096 24.114 -11.138 1.00 0.00 H ATOM 23 N GLU A 8 -0.363 27.194 -13.749 1.00 93.07 N ATOM 24 CA GLU A 8 -0.762 28.179 -14.785 1.00 93.86 C ATOM 25 C GLU A 8 -2.020 27.791 -15.591 1.00 90.71 C ATOM 26 O GLU A 8 -2.025 26.774 -16.290 1.00 87.83 O ATOM 27 CB GLU A 8 0.400 28.485 -15.741 1.00 94.80 C ATOM 28 CG GLU A 8 0.276 29.861 -16.426 1.00 99.36 C ATOM 29 CD GLU A 8 0.966 29.938 -17.790 1.00100.53 C ATOM 30 OE1 GLU A 8 0.558 30.788 -18.617 1.00101.38 O ATOM 31 OE2 GLU A 8 1.911 29.150 -18.040 1.00100.45 O ATOM 32 HA GLU A 8 -1.026 29.076 -14.225 1.00 0.00 H ATOM 33 HB2 GLU A 8 1.331 28.462 -15.174 1.00 0.00 H ATOM 34 HB3 GLU A 8 0.427 27.715 -16.512 1.00 0.00 H ATOM 35 HG2 GLU A 8 -0.782 30.082 -16.563 1.00 0.00 H ATOM 36 HG3 GLU A 8 0.721 30.611 -15.773 1.00 0.00 H ATOM 37 H GLU A 8 0.484 26.611 -13.906 1.00 0.00 H ATOM 38 N LYS A 9 -3.069 28.615 -15.499 1.00 91.84 N ATOM 39 CA LYS A 9 -4.377 28.338 -16.130 1.00 89.41 C ATOM 40 C LYS A 9 -4.599 29.190 -17.381 1.00 90.02 C ATOM 41 O LYS A 9 -4.736 30.413 -17.298 1.00 93.61 O ATOM 42 CB LYS A 9 -5.547 28.540 -15.141 1.00 90.82 C ATOM 43 CG LYS A 9 -5.465 27.700 -13.857 1.00 90.73 C ATOM 44 CD LYS A 9 -6.558 28.037 -12.817 1.00 93.00 C ATOM 45 CE LYS A 9 -7.919 27.436 -13.192 1.00 91.65 C ATOM 46 NZ LYS A 9 -7.823 26.144 -13.951 1.00 85.99 N ATOM 47 HA LYS A 9 -4.356 27.290 -16.428 1.00 0.00 H ATOM 48 HB2 LYS A 9 -5.571 29.592 -14.856 1.00 0.00 H ATOM 49 HB3 LYS A 9 -6.473 28.282 -15.655 1.00 0.00 H ATOM 50 HG2 LYS A 9 -5.561 26.649 -14.128 1.00 0.00 H ATOM 51 HG3 LYS A 9 -4.491 27.868 -13.398 1.00 0.00 H ATOM 52 HD2 LYS A 9 -6.254 27.642 -11.848 1.00 0.00 H ATOM 53 HD3 LYS A 9 -6.658 29.120 -12.751 1.00 0.00 H ATOM 54 HE2 LYS A 9 -8.456 28.158 -13.808 1.00 0.00 H ATOM 55 HE3 LYS A 9 -8.480 27.255 -12.275 1.00 0.00 H ATOM 56 HZ1 LYS A 9 -7.300 26.301 -14.836 1.00 0.00 H ATOM 57 HZ2 LYS A 9 -7.323 25.440 -13.372 1.00 0.00 H ATOM 58 HZ3 LYS A 9 -8.780 25.799 -14.169 1.00 0.00 H ATOM 59 H LYS A 9 -2.959 29.495 -14.956 1.00 0.00 H ATOM 60 N VAL A 10 -4.651 28.519 -18.529 1.00 86.70 N ATOM 61 CA VAL A 10 -4.765 29.162 -19.832 1.00 87.17 C ATOM 62 C VAL A 10 -6.137 28.895 -20.441 1.00 85.73 C ATOM 63 O VAL A 10 -6.593 27.755 -20.509 1.00 82.24 O ATOM 64 CB VAL A 10 -3.684 28.641 -20.813 1.00 85.73 C ATOM 65 CG1 VAL A 10 -3.741 29.398 -22.133 1.00 88.01 C ATOM 66 CG2 VAL A 10 -2.289 28.738 -20.200 1.00 86.87 C ATOM 67 HA VAL A 10 -4.625 30.232 -19.677 1.00 0.00 H ATOM 68 HB VAL A 10 -3.894 27.590 -21.009 1.00 0.00 H ATOM 69 HG11 VAL A 10 -4.723 29.262 -22.587 1.00 0.00 H ATOM 70 HG12 VAL A 10 -3.568 30.459 -21.950 1.00 0.00 H ATOM 71 HG13 VAL A 10 -2.973 29.014 -22.804 1.00 0.00 H ATOM 72 HG21 VAL A 10 -2.070 29.779 -19.961 1.00 0.00 H ATOM 73 HG22 VAL A 10 -2.251 28.139 -19.290 1.00 0.00 H ATOM 74 HG23 VAL A 10 -1.554 28.365 -20.913 1.00 0.00 H ATOM 75 H VAL A 10 -4.608 27.480 -18.495 1.00 0.00 H ATOM 76 N GLU A 11 -6.795 29.962 -20.875 1.00 88.68 N ATOM 77 CA GLU A 11 -8.042 29.840 -21.607 1.00 88.62 C ATOM 78 C GLU A 11 -7.655 29.752 -23.085 1.00 88.01 C ATOM 79 O GLU A 11 -7.097 30.708 -23.639 1.00 91.11 O ATOM 80 CB GLU A 11 -8.945 31.040 -21.318 1.00 92.57 C ATOM 81 CG GLU A 11 -10.418 30.822 -21.613 1.00 93.83 C ATOM 82 CD GLU A 11 -11.235 32.083 -21.397 1.00101.44 C ATOM 83 OE1 GLU A 11 -11.294 32.571 -20.244 1.00104.96 O ATOM 84 OE2 GLU A 11 -11.813 32.603 -22.381 1.00104.95 O ATOM 85 HA GLU A 11 -8.609 28.958 -21.311 1.00 0.00 H ATOM 86 HB2 GLU A 11 -8.845 31.292 -20.262 1.00 0.00 H ATOM 87 HB3 GLU A 11 -8.599 31.877 -21.924 1.00 0.00 H ATOM 88 HG2 GLU A 11 -10.526 30.506 -22.651 1.00 0.00 H ATOM 89 HG3 GLU A 11 -10.797 30.040 -20.955 1.00 0.00 H ATOM 90 H GLU A 11 -6.408 30.909 -20.686 1.00 0.00 H ATOM 91 N LEU A 12 -7.912 28.597 -23.706 1.00 84.28 N ATOM 92 CA LEU A 12 -7.415 28.335 -25.062 1.00 83.23 C ATOM 93 C LEU A 12 -8.397 28.751 -26.146 1.00 84.86 C ATOM 94 O LEU A 12 -8.000 29.036 -27.273 1.00 85.68 O ATOM 95 CB LEU A 12 -6.961 26.880 -25.235 1.00 79.20 C ATOM 96 CG LEU A 12 -5.547 26.587 -24.714 1.00 78.45 C ATOM 97 CD1 LEU A 12 -5.194 25.114 -24.847 1.00 74.46 C ATOM 98 CD2 LEU A 12 -4.489 27.450 -25.406 1.00 81.26 C ATOM 99 HA LEU A 12 -6.537 28.968 -25.187 1.00 0.00 H ATOM 100 HB2 LEU A 12 -7.661 26.239 -24.699 1.00 0.00 H ATOM 101 HB3 LEU A 12 -6.989 26.638 -26.298 1.00 0.00 H ATOM 102 HG LEU A 12 -5.550 26.845 -23.655 1.00 0.00 H ATOM 103 HD21 LEU A 12 -4.505 27.252 -26.478 1.00 0.00 H ATOM 104 HD22 LEU A 12 -4.707 28.503 -25.226 1.00 0.00 H ATOM 105 HD23 LEU A 12 -3.505 27.207 -25.005 1.00 0.00 H ATOM 106 HD11 LEU A 12 -5.903 24.518 -24.272 1.00 0.00 H ATOM 107 HD12 LEU A 12 -5.241 24.824 -25.897 1.00 0.00 H ATOM 108 HD13 LEU A 12 -4.186 24.948 -24.468 1.00 0.00 H ATOM 109 H LEU A 12 -8.475 27.870 -23.219 1.00 0.00 H ATOM 110 N THR A 13 -9.675 28.778 -25.798 1.00 85.30 N ATOM 111 CA THR A 13 -10.686 29.334 -26.681 1.00 88.33 C ATOM 112 C THR A 13 -11.321 30.573 -26.037 1.00 92.59 C ATOM 113 O THR A 13 -11.476 30.622 -24.811 1.00 92.88 O ATOM 114 CB THR A 13 -11.785 28.303 -26.989 1.00 86.38 C ATOM 115 OG1 THR A 13 -12.465 27.948 -25.779 1.00 85.46 O ATOM 116 CG2 THR A 13 -11.183 27.069 -27.597 1.00 82.77 C ATOM 117 HA THR A 13 -10.197 29.611 -27.615 1.00 0.00 H ATOM 118 HB THR A 13 -12.491 28.743 -27.694 1.00 0.00 H ATOM 119 HG1 THR A 13 -12.875 28.757 -25.382 1.00 0.00 H ATOM 120 HG23 THR A 13 -10.665 27.335 -28.518 1.00 0.00 H ATOM 121 HG21 THR A 13 -10.476 26.628 -26.895 1.00 0.00 H ATOM 122 HG22 THR A 13 -11.973 26.352 -27.818 1.00 0.00 H ATOM 123 H THR A 13 -9.960 28.394 -24.875 1.00 0.00 H ATOM 124 N ALA A 14 -11.686 31.567 -26.847 1.00 96.41 N ATOM 125 CA ALA A 14 -12.480 32.697 -26.346 1.00100.81 C ATOM 126 C ALA A 14 -13.788 32.165 -25.746 1.00100.11 C ATOM 127 O ALA A 14 -14.349 32.740 -24.815 1.00102.48 O ATOM 128 CB ALA A 14 -12.761 33.695 -27.465 1.00105.27 C ATOM 129 HA ALA A 14 -11.918 33.220 -25.572 1.00 0.00 H ATOM 130 HB1 ALA A 14 -11.817 34.073 -27.858 1.00 0.00 H ATOM 131 HB2 ALA A 14 -13.316 33.199 -28.262 1.00 0.00 H ATOM 132 HB3 ALA A 14 -13.350 34.523 -27.072 1.00 0.00 H ATOM 133 H ALA A 14 -11.405 31.542 -27.848 1.00 0.00 H ATOM 134 N ASP A 15 -14.232 31.035 -26.292 1.00 97.18 N ATOM 135 CA ASP A 15 -15.432 30.316 -25.881 1.00 96.35 C ATOM 136 C ASP A 15 -15.306 29.780 -24.453 1.00 93.71 C ATOM 137 O ASP A 15 -16.306 29.495 -23.787 1.00 94.13 O ATOM 138 CB ASP A 15 -15.664 29.173 -26.887 1.00 93.92 C ATOM 139 CG ASP A 15 -16.846 28.291 -26.530 1.00 94.29 C ATOM 140 OD1 ASP A 15 -16.635 27.070 -26.364 1.00 92.02 O ATOM 141 OD2 ASP A 15 -17.979 28.806 -26.417 1.00 98.45 O ATOM 142 HA ASP A 15 -16.286 30.994 -25.879 1.00 0.00 H ATOM 143 HB2 ASP A 15 -15.841 29.608 -27.871 1.00 0.00 H ATOM 144 HB3 ASP A 15 -14.768 28.554 -26.921 1.00 0.00 H ATOM 145 H ASP A 15 -13.678 30.633 -27.075 1.00 0.00 H ATOM 146 N GLY A 16 -14.063 29.656 -23.993 1.00 91.22 N ATOM 147 CA GLY A 16 -13.754 28.998 -22.734 1.00 88.54 C ATOM 148 C GLY A 16 -13.809 27.481 -22.841 1.00 84.32 C ATOM 149 O GLY A 16 -13.623 26.788 -21.849 1.00 82.54 O ATOM 150 HA3 GLY A 16 -14.475 29.322 -21.983 1.00 0.00 H ATOM 151 HA2 GLY A 16 -12.751 29.291 -22.423 1.00 0.00 H ATOM 152 H GLY A 16 -13.281 30.046 -24.557 1.00 0.00 H ATOM 153 N GLY A 17 -14.060 26.957 -24.040 1.00 83.16 N ATOM 154 CA GLY A 17 -14.282 25.510 -24.241 1.00 79.85 C ATOM 155 C GLY A 17 -13.119 24.581 -23.915 1.00 75.86 C ATOM 156 O GLY A 17 -13.317 23.457 -23.431 1.00 73.51 O ATOM 157 HA3 GLY A 17 -14.540 25.359 -25.289 1.00 0.00 H ATOM 158 HA2 GLY A 17 -15.124 25.216 -23.614 1.00 0.00 H ATOM 159 H GLY A 17 -14.101 27.589 -24.865 1.00 0.00 H ATOM 160 N VAL A 18 -11.912 25.055 -24.205 1.00 75.28 N ATOM 161 CA VAL A 18 -10.688 24.356 -23.859 1.00 72.51 C ATOM 162 C VAL A 18 -9.949 25.193 -22.814 1.00 73.80 C ATOM 163 O VAL A 18 -9.572 26.341 -23.071 1.00 76.41 O ATOM 164 CB VAL A 18 -9.786 24.130 -25.100 1.00 71.36 C ATOM 165 CG1 VAL A 18 -8.721 23.102 -24.812 1.00 67.55 C ATOM 166 CG2 VAL A 18 -10.610 23.689 -26.278 1.00 71.74 C ATOM 167 HA VAL A 18 -10.935 23.371 -23.463 1.00 0.00 H ATOM 168 HB VAL A 18 -9.302 25.077 -25.337 1.00 0.00 H ATOM 169 HG11 VAL A 18 -8.100 23.446 -23.985 1.00 0.00 H ATOM 170 HG12 VAL A 18 -9.193 22.157 -24.545 1.00 0.00 H ATOM 171 HG13 VAL A 18 -8.103 22.963 -25.699 1.00 0.00 H ATOM 172 HG21 VAL A 18 -11.119 22.756 -26.035 1.00 0.00 H ATOM 173 HG22 VAL A 18 -11.348 24.457 -26.511 1.00 0.00 H ATOM 174 HG23 VAL A 18 -9.959 23.536 -27.138 1.00 0.00 H ATOM 175 H VAL A 18 -11.841 25.966 -24.701 1.00 0.00 H ATOM 176 N ILE A 19 -9.762 24.607 -21.634 1.00 72.51 N ATOM 177 CA ILE A 19 -9.069 25.254 -20.526 1.00 73.57 C ATOM 178 C ILE A 19 -7.922 24.377 -20.045 1.00 71.29 C ATOM 179 O ILE A 19 -8.136 23.269 -19.554 1.00 69.80 O ATOM 180 CB ILE A 19 -10.039 25.590 -19.373 1.00 75.48 C ATOM 181 CG1 ILE A 19 -10.968 26.741 -19.804 1.00 78.78 C ATOM 182 CG2 ILE A 19 -9.261 25.980 -18.122 1.00 76.38 C ATOM 183 CD1 ILE A 19 -12.230 26.921 -18.959 1.00 79.99 C ATOM 184 HA ILE A 19 -8.657 26.198 -20.883 1.00 0.00 H ATOM 185 HB ILE A 19 -10.639 24.710 -19.142 1.00 0.00 H ATOM 186 HG12 ILE A 19 -10.397 27.669 -19.758 1.00 0.00 H ATOM 187 HG13 ILE A 19 -11.276 26.557 -20.833 1.00 0.00 H ATOM 188 HD11 ILE A 19 -12.828 26.010 -19.002 1.00 0.00 H ATOM 189 HD12 ILE A 19 -11.948 27.123 -17.926 1.00 0.00 H ATOM 190 HD13 ILE A 19 -12.811 27.757 -19.349 1.00 0.00 H ATOM 191 HG21 ILE A 19 -8.622 25.150 -17.819 1.00 0.00 H ATOM 192 HG22 ILE A 19 -8.646 26.854 -18.336 1.00 0.00 H ATOM 193 HG23 ILE A 19 -9.960 26.214 -17.319 1.00 0.00 H ATOM 194 H ILE A 19 -10.127 23.643 -21.496 1.00 0.00 H ATOM 195 N LYS A 20 -6.705 24.891 -20.197 1.00 71.80 N ATOM 196 CA LYS A 20 -5.481 24.138 -19.943 1.00 69.77 C ATOM 197 C LYS A 20 -4.782 24.615 -18.664 1.00 71.76 C ATOM 198 O LYS A 20 -4.670 25.817 -18.410 1.00 74.60 O ATOM 199 CB LYS A 20 -4.551 24.279 -21.150 1.00 69.40 C ATOM 200 CG LYS A 20 -3.288 23.442 -21.103 1.00 67.51 C ATOM 201 CD LYS A 20 -2.349 23.735 -22.281 1.00 67.14 C ATOM 202 CE LYS A 20 -1.541 25.013 -22.095 1.00 69.80 C ATOM 203 NZ LYS A 20 -0.506 25.154 -23.154 1.00 71.00 N ATOM 204 HA LYS A 20 -5.738 23.089 -19.796 1.00 0.00 H ATOM 205 HB2 LYS A 20 -5.111 23.993 -22.041 1.00 0.00 H ATOM 206 HB3 LYS A 20 -4.258 25.326 -21.228 1.00 0.00 H ATOM 207 HG2 LYS A 20 -2.761 23.655 -20.173 1.00 0.00 H ATOM 208 HG3 LYS A 20 -3.565 22.388 -21.129 1.00 0.00 H ATOM 209 HD2 LYS A 20 -1.658 22.899 -22.391 1.00 0.00 H ATOM 210 HD3 LYS A 20 -2.947 23.831 -23.187 1.00 0.00 H ATOM 211 HE2 LYS A 20 -1.052 24.986 -21.121 1.00 0.00 H ATOM 212 HE3 LYS A 20 -2.214 25.869 -22.139 1.00 0.00 H ATOM 213 HZ1 LYS A 20 0.142 24.342 -23.114 1.00 0.00 H ATOM 214 HZ2 LYS A 20 -0.967 25.185 -24.086 1.00 0.00 H ATOM 215 HZ3 LYS A 20 0.028 26.033 -23.001 1.00 0.00 H ATOM 216 H LYS A 20 -6.621 25.878 -20.512 1.00 0.00 H ATOM 217 N THR A 21 -4.314 23.664 -17.864 1.00 70.30 N ATOM 218 CA THR A 21 -3.528 23.967 -16.682 1.00 72.05 C ATOM 219 C THR A 21 -2.152 23.341 -16.863 1.00 71.42 C ATOM 220 O THR A 21 -2.031 22.116 -17.011 1.00 69.29 O ATOM 221 CB THR A 21 -4.202 23.408 -15.402 1.00 72.08 C ATOM 222 OG1 THR A 21 -5.540 23.907 -15.303 1.00 73.40 O ATOM 223 CG2 THR A 21 -3.426 23.804 -14.151 1.00 74.35 C ATOM 224 HA THR A 21 -3.448 25.048 -16.563 1.00 0.00 H ATOM 225 HB THR A 21 -4.212 22.320 -15.474 1.00 0.00 H ATOM 226 HG1 THR A 21 -5.965 23.547 -14.485 1.00 0.00 H ATOM 227 HG23 THR A 21 -2.406 23.426 -14.223 1.00 0.00 H ATOM 228 HG21 THR A 21 -3.407 24.890 -14.066 1.00 0.00 H ATOM 229 HG22 THR A 21 -3.912 23.378 -13.273 1.00 0.00 H ATOM 230 H THR A 21 -4.517 22.670 -18.092 1.00 0.00 H ATOM 231 N ILE A 22 -1.106 24.157 -16.859 1.00 73.65 N ATOM 232 CA ILE A 22 0.239 23.587 -17.006 1.00 73.78 C ATOM 233 C ILE A 22 0.732 22.954 -15.704 1.00 74.61 C ATOM 234 O ILE A 22 0.683 23.573 -14.649 1.00 76.93 O ATOM 235 CB ILE A 22 1.261 24.596 -17.599 1.00 76.31 C ATOM 236 CG1 ILE A 22 0.886 24.927 -19.051 1.00 75.31 C ATOM 237 CG2 ILE A 22 2.702 24.052 -17.503 1.00 76.51 C ATOM 238 CD1 ILE A 22 1.699 26.056 -19.667 1.00 79.97 C ATOM 239 HA ILE A 22 0.157 22.785 -17.739 1.00 0.00 H ATOM 240 HB ILE A 22 1.224 25.514 -17.013 1.00 0.00 H ATOM 241 HG12 ILE A 22 1.034 24.031 -19.654 1.00 0.00 H ATOM 242 HG13 ILE A 22 -0.166 25.211 -19.076 1.00 0.00 H ATOM 243 HD11 ILE A 22 1.554 26.966 -19.085 1.00 0.00 H ATOM 244 HD12 ILE A 22 2.755 25.785 -19.664 1.00 0.00 H ATOM 245 HD13 ILE A 22 1.368 26.223 -20.692 1.00 0.00 H ATOM 246 HG21 ILE A 22 2.953 23.875 -16.457 1.00 0.00 H ATOM 247 HG22 ILE A 22 2.774 23.117 -18.058 1.00 0.00 H ATOM 248 HG23 ILE A 22 3.393 24.781 -17.926 1.00 0.00 H ATOM 249 H ILE A 22 -1.237 25.183 -16.753 1.00 0.00 H ATOM 250 N LEU A 23 1.187 21.710 -15.796 1.00 73.44 N ATOM 251 CA LEU A 23 1.711 20.986 -14.641 1.00 74.93 C ATOM 252 C LEU A 23 3.233 20.941 -14.622 1.00 77.72 C ATOM 253 O LEU A 23 3.847 20.942 -13.556 1.00 80.21 O ATOM 254 CB LEU A 23 1.158 19.564 -14.608 1.00 72.05 C ATOM 255 CG LEU A 23 -0.320 19.466 -14.252 1.00 70.45 C ATOM 256 CD1 LEU A 23 -0.814 18.100 -14.624 1.00 67.12 C ATOM 257 CD2 LEU A 23 -0.547 19.750 -12.780 1.00 71.71 C ATOM 258 HA LEU A 23 1.385 21.531 -13.755 1.00 0.00 H ATOM 259 HB2 LEU A 23 1.301 19.121 -15.593 1.00 0.00 H ATOM 260 HB3 LEU A 23 1.724 18.996 -13.870 1.00 0.00 H ATOM 261 HG LEU A 23 -0.880 20.217 -14.809 1.00 0.00 H ATOM 262 HD21 LEU A 23 0.005 19.025 -12.182 1.00 0.00 H ATOM 263 HD22 LEU A 23 -0.198 20.756 -12.547 1.00 0.00 H ATOM 264 HD23 LEU A 23 -1.611 19.673 -12.556 1.00 0.00 H ATOM 265 HD11 LEU A 23 -0.679 17.945 -15.695 1.00 0.00 H ATOM 266 HD12 LEU A 23 -0.249 17.348 -14.073 1.00 0.00 H ATOM 267 HD13 LEU A 23 -1.872 18.017 -14.374 1.00 0.00 H ATOM 268 H LEU A 23 1.170 21.235 -16.721 1.00 0.00 H ATOM 269 N LYS A 24 3.829 20.884 -15.806 1.00 78.20 N ATOM 270 CA LYS A 24 5.272 20.912 -15.958 1.00 81.64 C ATOM 271 C LYS A 24 5.586 21.720 -17.203 1.00 82.68 C ATOM 272 O LYS A 24 5.210 21.322 -18.309 1.00 80.78 O ATOM 273 CB LYS A 24 5.823 19.490 -16.097 1.00 80.86 C ATOM 274 CG LYS A 24 7.329 19.397 -16.303 1.00 85.53 C ATOM 275 CD LYS A 24 7.747 17.963 -16.596 1.00 88.69 C ATOM 276 CE LYS A 24 9.204 17.695 -16.176 1.00 94.93 C ATOM 277 NZ LYS A 24 9.671 16.357 -16.709 1.00 96.59 N ATOM 278 HA LYS A 24 5.737 21.363 -15.081 1.00 0.00 H ATOM 279 HB2 LYS A 24 5.572 18.940 -15.190 1.00 0.00 H ATOM 280 HB3 LYS A 24 5.336 19.021 -16.952 1.00 0.00 H ATOM 281 HG2 LYS A 24 7.615 20.031 -17.142 1.00 0.00 H ATOM 282 HG3 LYS A 24 7.835 19.740 -15.401 1.00 0.00 H ATOM 283 HD2 LYS A 24 7.091 17.285 -16.049 1.00 0.00 H ATOM 284 HD3 LYS A 24 7.648 17.778 -17.666 1.00 0.00 H ATOM 285 HE2 LYS A 24 9.269 17.691 -15.088 1.00 0.00 H ATOM 286 HE3 LYS A 24 9.843 18.483 -16.574 1.00 0.00 H ATOM 287 HZ1 LYS A 24 9.065 15.603 -16.328 1.00 0.00 H ATOM 288 HZ2 LYS A 24 9.613 16.359 -17.747 1.00 0.00 H ATOM 289 HZ3 LYS A 24 10.655 16.193 -16.416 1.00 0.00 H ATOM 290 H LYS A 24 3.238 20.817 -16.659 1.00 0.00 H ATOM 291 N LYS A 25 6.251 22.859 -17.012 1.00 86.40 N ATOM 292 CA LYS A 25 6.737 23.684 -18.113 1.00 88.38 C ATOM 293 C LYS A 25 7.510 22.833 -19.104 1.00 87.85 C ATOM 294 O LYS A 25 8.315 21.989 -18.708 1.00 88.28 O ATOM 295 CB LYS A 25 7.650 24.798 -17.584 1.00 93.23 C ATOM 296 CG LYS A 25 6.931 26.077 -17.144 1.00 95.13 C ATOM 297 CD LYS A 25 7.849 26.969 -16.301 1.00100.79 C ATOM 298 CE LYS A 25 7.188 28.310 -15.976 1.00103.44 C ATOM 299 NZ LYS A 25 7.941 29.073 -14.942 1.00108.25 N ATOM 300 HA LYS A 25 5.876 24.130 -18.611 1.00 0.00 H ATOM 301 HB2 LYS A 25 8.198 24.407 -16.727 1.00 0.00 H ATOM 302 HB3 LYS A 25 8.354 25.061 -18.374 1.00 0.00 H ATOM 303 HG2 LYS A 25 6.614 26.629 -18.029 1.00 0.00 H ATOM 304 HG3 LYS A 25 6.056 25.807 -16.552 1.00 0.00 H ATOM 305 HD2 LYS A 25 8.084 26.455 -15.369 1.00 0.00 H ATOM 306 HD3 LYS A 25 8.770 27.153 -16.855 1.00 0.00 H ATOM 307 HE2 LYS A 25 6.178 28.124 -15.610 1.00 0.00 H ATOM 308 HE3 LYS A 25 7.139 28.907 -16.887 1.00 0.00 H ATOM 309 HZ1 LYS A 25 7.987 28.514 -14.066 1.00 0.00 H ATOM 310 HZ2 LYS A 25 8.904 29.262 -15.285 1.00 0.00 H ATOM 311 HZ3 LYS A 25 7.455 29.973 -14.755 1.00 0.00 H ATOM 312 H LYS A 25 6.431 23.173 -16.037 1.00 0.00 H ATOM 313 N GLY A 26 7.259 23.046 -20.389 1.00 87.33 N ATOM 314 CA GLY A 26 8.006 22.337 -21.417 1.00 88.16 C ATOM 315 C GLY A 26 9.443 22.823 -21.545 1.00 93.24 C ATOM 316 O GLY A 26 9.837 23.823 -20.922 1.00 96.27 O ATOM 317 HA3 GLY A 26 7.504 22.480 -22.374 1.00 0.00 H ATOM 318 HA2 GLY A 26 8.018 21.276 -21.169 1.00 0.00 H ATOM 319 H GLY A 26 6.522 23.726 -20.664 1.00 0.00 H ATOM 320 N ASP A 27 10.230 22.111 -22.352 1.00 94.25 N ATOM 321 CA ASP A 27 11.579 22.552 -22.696 1.00 99.28 C ATOM 322 C ASP A 27 11.517 23.906 -23.398 1.00102.58 C ATOM 323 O ASP A 27 10.743 24.091 -24.340 1.00100.94 O ATOM 324 CB ASP A 27 12.292 21.511 -23.569 1.00 99.28 C ATOM 325 CG ASP A 27 12.708 20.258 -22.786 1.00 98.04 C ATOM 326 OD1 ASP A 27 12.643 20.262 -21.537 1.00 97.15 O ATOM 327 OD2 ASP A 27 13.115 19.262 -23.423 1.00 97.29 O ATOM 328 HA ASP A 27 12.157 22.660 -21.778 1.00 0.00 H ATOM 329 HB2 ASP A 27 11.620 21.212 -24.373 1.00 0.00 H ATOM 330 HB3 ASP A 27 13.185 21.967 -23.995 1.00 0.00 H ATOM 331 H ASP A 27 9.874 21.217 -22.747 1.00 0.00 H ATOM 332 N GLU A 28 12.316 24.856 -22.906 1.00108.07 N ATOM 333 CA GLU A 28 12.336 26.223 -23.430 1.00112.22 C ATOM 334 C GLU A 28 13.134 26.279 -24.744 1.00115.83 C ATOM 335 O GLU A 28 13.942 25.382 -25.028 1.00116.09 O ATOM 336 CB GLU A 28 12.892 27.196 -22.379 1.00116.28 C ATOM 337 CG GLU A 28 12.433 28.657 -22.535 1.00119.09 C ATOM 338 CD GLU A 28 13.398 29.680 -21.897 1.00125.30 C ATOM 339 OE1 GLU A 28 14.346 29.283 -21.174 1.00127.03 O ATOM 340 OE2 GLU A 28 13.207 30.896 -22.122 1.00128.11 O ATOM 341 HA GLU A 28 11.315 26.534 -23.651 1.00 0.00 H ATOM 342 HB2 GLU A 28 12.579 26.846 -21.395 1.00 0.00 H ATOM 343 HB3 GLU A 28 13.980 27.175 -22.441 1.00 0.00 H ATOM 344 HG2 GLU A 28 12.348 28.880 -23.599 1.00 0.00 H ATOM 345 HG3 GLU A 28 11.456 28.764 -22.063 1.00 0.00 H ATOM 346 H GLU A 28 12.950 24.615 -22.118 1.00 0.00 H ATOM 347 N GLY A 29 12.893 27.326 -25.539 1.00118.97 N ATOM 348 CA GLY A 29 13.501 27.473 -26.867 1.00123.01 C ATOM 349 C GLY A 29 12.472 27.358 -27.985 1.00120.74 C ATOM 350 O GLY A 29 11.273 27.176 -27.715 1.00116.45 O ATOM 351 HA3 GLY A 29 14.252 26.694 -26.998 1.00 0.00 H ATOM 352 HA2 GLY A 29 13.979 28.450 -26.929 1.00 0.00 H ATOM 353 H GLY A 29 12.247 28.068 -25.202 1.00 0.00 H ATOM 354 N GLU A 30 12.929 27.458 -29.239 1.00124.02 N ATOM 355 CA GLU A 30 12.007 27.432 -30.386 1.00122.63 C ATOM 356 C GLU A 30 11.824 26.045 -31.007 1.00119.05 C ATOM 357 O GLU A 30 10.684 25.589 -31.185 1.00114.76 O ATOM 358 CB GLU A 30 12.373 28.469 -31.459 1.00128.32 C ATOM 359 CG GLU A 30 11.185 28.855 -32.363 1.00127.57 C ATOM 360 CD GLU A 30 9.950 29.322 -31.574 1.00125.01 C ATOM 361 OE1 GLU A 30 9.994 30.422 -30.976 1.00128.11 O ATOM 362 OE2 GLU A 30 8.935 28.590 -31.558 1.00119.32 O ATOM 363 HA GLU A 30 11.041 27.709 -29.965 1.00 0.00 H ATOM 364 HB2 GLU A 30 12.737 29.368 -30.962 1.00 0.00 H ATOM 365 HB3 GLU A 30 13.164 28.056 -32.084 1.00 0.00 H ATOM 366 HG2 GLU A 30 11.500 29.663 -33.024 1.00 0.00 H ATOM 367 HG3 GLU A 30 10.907 27.986 -32.960 1.00 0.00 H ATOM 368 H GLU A 30 13.951 27.556 -29.405 1.00 0.00 H ATOM 369 N GLU A 31 12.935 25.378 -31.322 1.00121.08 N ATOM 370 CA GLU A 31 12.883 24.028 -31.897 1.00118.21 C ATOM 371 C GLU A 31 12.134 23.013 -31.006 1.00112.10 C ATOM 372 O GLU A 31 11.955 21.846 -31.380 1.00109.57 O ATOM 373 CB GLU A 31 14.293 23.550 -32.266 1.00122.35 C ATOM 374 CG GLU A 31 14.822 24.203 -33.549 1.00128.38 C ATOM 375 CD GLU A 31 16.262 23.814 -33.881 1.00134.34 C ATOM 376 OE1 GLU A 31 16.683 22.659 -33.553 1.00133.56 O ATOM 377 OE2 GLU A 31 16.974 24.663 -34.477 1.00140.30 O ATOM 378 HA GLU A 31 12.293 24.090 -32.811 1.00 0.00 H ATOM 379 HB2 GLU A 31 14.969 23.792 -31.446 1.00 0.00 H ATOM 380 HB3 GLU A 31 14.269 22.470 -32.408 1.00 0.00 H ATOM 381 HG2 GLU A 31 14.183 23.902 -34.379 1.00 0.00 H ATOM 382 HG3 GLU A 31 14.775 25.286 -33.430 1.00 0.00 H ATOM 383 H GLU A 31 13.860 25.824 -31.157 1.00 0.00 H ATOM 384 N ASN A 32 11.665 23.485 -29.850 1.00110.10 N ATOM 385 CA ASN A 32 10.914 22.666 -28.900 1.00104.71 C ATOM 386 C ASN A 32 9.380 22.830 -28.938 1.00100.40 C ATOM 387 O ASN A 32 8.657 22.038 -28.315 1.00 96.48 O ATOM 388 CB ASN A 32 11.449 22.887 -27.475 1.00105.75 C ATOM 389 CG ASN A 32 12.675 22.025 -27.162 1.00107.64 C ATOM 390 OD1 ASN A 32 12.613 20.788 -27.174 1.00105.13 O ATOM 391 ND2 ASN A 32 13.791 22.680 -26.865 1.00112.46 N ATOM 392 HA ASN A 32 11.082 21.638 -29.220 1.00 0.00 H ATOM 393 HB2 ASN A 32 11.723 23.936 -27.364 1.00 0.00 H ATOM 394 HB3 ASN A 32 10.660 22.642 -26.764 1.00 0.00 H ATOM 395 HD22 ASN A 32 13.800 23.720 -26.867 1.00 0.00 H ATOM 396 HD21 ASN A 32 14.657 22.153 -26.631 1.00 0.00 H ATOM 397 H ASN A 32 11.842 24.482 -29.613 1.00 0.00 H ATOM 398 N ILE A 33 8.881 23.840 -29.652 1.00101.27 N ATOM 399 CA ILE A 33 7.427 24.037 -29.771 1.00 97.67 C ATOM 400 C ILE A 33 6.916 23.604 -31.144 1.00 96.64 C ATOM 401 O ILE A 33 7.330 24.169 -32.151 1.00100.36 O ATOM 402 CB ILE A 33 6.984 25.493 -29.414 1.00 99.97 C ATOM 403 CG1 ILE A 33 5.511 25.742 -29.802 1.00 97.31 C ATOM 404 CG2 ILE A 33 7.949 26.529 -30.019 1.00105.42 C ATOM 405 CD1 ILE A 33 4.782 26.767 -28.917 1.00 96.52 C ATOM 406 HA ILE A 33 6.961 23.389 -29.028 1.00 0.00 H ATOM 407 HB ILE A 33 7.039 25.614 -28.332 1.00 0.00 H ATOM 408 HG12 ILE A 33 5.486 26.101 -30.831 1.00 0.00 H ATOM 409 HG13 ILE A 33 4.977 24.794 -29.736 1.00 0.00 H ATOM 410 HD11 ILE A 33 4.784 26.419 -27.884 1.00 0.00 H ATOM 411 HD12 ILE A 33 5.293 27.728 -28.979 1.00 0.00 H ATOM 412 HD13 ILE A 33 3.754 26.878 -29.263 1.00 0.00 H ATOM 413 HG21 ILE A 33 8.952 26.362 -29.626 1.00 0.00 H ATOM 414 HG22 ILE A 33 7.960 26.423 -31.104 1.00 0.00 H ATOM 415 HG23 ILE A 33 7.616 27.532 -29.754 1.00 0.00 H ATOM 416 H ILE A 33 9.528 24.498 -30.132 1.00 0.00 H ATOM 417 N PRO A 34 6.014 22.597 -31.183 1.00 92.12 N ATOM 418 CA PRO A 34 5.575 21.943 -32.416 1.00 90.88 C ATOM 419 C PRO A 34 4.664 22.819 -33.266 1.00 91.79 C ATOM 420 O PRO A 34 3.875 23.620 -32.734 1.00 90.91 O ATOM 421 CB PRO A 34 4.788 20.745 -31.902 1.00 86.50 C ATOM 422 CG PRO A 34 4.189 21.248 -30.649 1.00 85.03 C ATOM 423 CD PRO A 34 5.288 22.060 -30.019 1.00 88.20 C ATOM 424 HA PRO A 34 6.419 21.699 -33.061 1.00 0.00 H ATOM 425 HD3 PRO A 34 4.880 22.864 -29.407 1.00 0.00 H ATOM 426 HD2 PRO A 34 5.937 21.433 -29.407 1.00 0.00 H ATOM 427 HG3 PRO A 34 3.897 20.422 -30.000 1.00 0.00 H ATOM 428 HG2 PRO A 34 3.319 21.870 -30.858 1.00 0.00 H ATOM 429 HB2 PRO A 34 4.017 20.449 -32.613 1.00 0.00 H ATOM 430 HB3 PRO A 34 5.446 19.898 -31.709 1.00 0.00 H ATOM 431 N LYS A 35 4.777 22.628 -34.581 1.00 93.14 N ATOM 432 CA LYS A 35 4.132 23.481 -35.569 1.00 95.09 C ATOM 433 C LYS A 35 3.088 22.691 -36.354 1.00 92.30 C ATOM 434 O LYS A 35 3.183 21.468 -36.447 1.00 89.84 O ATOM 435 CB LYS A 35 5.190 24.104 -36.496 1.00100.26 C ATOM 436 CG LYS A 35 4.707 25.300 -37.332 1.00105.02 C ATOM 437 CD LYS A 35 3.992 26.365 -36.478 1.00106.10 C ATOM 438 CE LYS A 35 3.218 27.360 -37.348 1.00110.70 C ATOM 439 NZ LYS A 35 2.043 26.739 -38.059 1.00108.82 N ATOM 440 HA LYS A 35 3.613 24.293 -35.060 1.00 0.00 H ATOM 441 HB2 LYS A 35 6.024 24.439 -35.879 1.00 0.00 H ATOM 442 HB3 LYS A 35 5.535 23.330 -37.182 1.00 0.00 H ATOM 443 HG2 LYS A 35 5.569 25.760 -37.816 1.00 0.00 H ATOM 444 HG3 LYS A 35 4.015 24.939 -38.093 1.00 0.00 H ATOM 445 HD2 LYS A 35 3.295 25.868 -35.803 1.00 0.00 H ATOM 446 HD3 LYS A 35 4.735 26.908 -35.895 1.00 0.00 H ATOM 447 HE2 LYS A 35 3.898 27.770 -38.095 1.00 0.00 H ATOM 448 HE3 LYS A 35 2.852 28.165 -36.711 1.00 0.00 H ATOM 449 HZ1 LYS A 35 2.379 25.974 -38.679 1.00 0.00 H ATOM 450 HZ2 LYS A 35 1.380 26.352 -37.357 1.00 0.00 H ATOM 451 HZ3 LYS A 35 1.562 27.463 -38.630 1.00 0.00 H ATOM 452 H LYS A 35 5.354 21.831 -34.917 1.00 0.00 H ATOM 453 N LYS A 36 2.099 23.397 -36.904 1.00 92.91 N ATOM 454 CA LYS A 36 0.995 22.780 -37.645 1.00 91.01 C ATOM 455 C LYS A 36 1.451 21.716 -38.654 1.00 91.19 C ATOM 456 O LYS A 36 2.458 21.881 -39.341 1.00 94.14 O ATOM 457 CB LYS A 36 0.142 23.834 -38.355 1.00 93.80 C ATOM 458 CG LYS A 36 -1.145 23.259 -38.909 1.00 92.16 C ATOM 459 CD LYS A 36 -1.812 24.165 -39.910 1.00 96.69 C ATOM 460 CE LYS A 36 -3.072 23.496 -40.450 1.00 95.68 C ATOM 461 NZ LYS A 36 -3.917 24.416 -41.250 1.00 99.91 N ATOM 462 HA LYS A 36 0.393 22.271 -36.893 1.00 0.00 H ATOM 463 HB2 LYS A 36 -0.104 24.622 -37.644 1.00 0.00 H ATOM 464 HB3 LYS A 36 0.720 24.256 -39.177 1.00 0.00 H ATOM 465 HG2 LYS A 36 -0.921 22.310 -39.395 1.00 0.00 H ATOM 466 HG3 LYS A 36 -1.834 23.088 -38.082 1.00 0.00 H ATOM 467 HD2 LYS A 36 -2.079 25.105 -39.427 1.00 0.00 H ATOM 468 HD3 LYS A 36 -1.126 24.363 -40.733 1.00 0.00 H ATOM 469 HE2 LYS A 36 -3.659 23.128 -39.608 1.00 0.00 H ATOM 470 HE3 LYS A 36 -2.778 22.657 -41.080 1.00 0.00 H ATOM 471 HZ1 LYS A 36 -4.213 25.217 -40.657 1.00 0.00 H ATOM 472 HZ2 LYS A 36 -3.371 24.768 -42.063 1.00 0.00 H ATOM 473 HZ3 LYS A 36 -4.757 23.906 -41.590 1.00 0.00 H ATOM 474 H LYS A 36 2.112 24.432 -36.803 1.00 0.00 H ATOM 475 N GLY A 37 0.699 20.618 -38.714 1.00 87.91 N ATOM 476 CA GLY A 37 0.965 19.544 -39.655 1.00 87.59 C ATOM 477 C GLY A 37 2.062 18.582 -39.247 1.00 86.35 C ATOM 478 O GLY A 37 2.312 17.598 -39.945 1.00 86.86 O ATOM 479 HA3 GLY A 37 1.247 19.993 -40.607 1.00 0.00 H ATOM 480 HA2 GLY A 37 0.046 18.972 -39.782 1.00 0.00 H ATOM 481 H GLY A 37 -0.107 20.527 -38.064 1.00 0.00 H ATOM 482 N ASN A 38 2.725 18.855 -38.126 1.00 85.07 N ATOM 483 CA ASN A 38 3.774 17.971 -37.640 1.00 84.06 C ATOM 484 C ASN A 38 3.205 16.719 -36.982 1.00 79.78 C ATOM 485 O ASN A 38 2.142 16.762 -36.352 1.00 77.02 O ATOM 486 CB ASN A 38 4.689 18.704 -36.655 1.00 85.39 C ATOM 487 CG ASN A 38 5.771 19.543 -37.344 1.00 90.71 C ATOM 488 OD1 ASN A 38 6.169 19.284 -38.493 1.00 93.42 O ATOM 489 ND2 ASN A 38 6.261 20.555 -36.626 1.00 92.46 N ATOM 490 HA ASN A 38 4.356 17.661 -38.508 1.00 0.00 H ATOM 491 HB2 ASN A 38 4.078 19.364 -36.040 1.00 0.00 H ATOM 492 HB3 ASN A 38 5.176 17.965 -36.019 1.00 0.00 H ATOM 493 HD22 ASN A 38 5.899 20.736 -35.668 1.00 0.00 H ATOM 494 HD21 ASN A 38 7.005 21.163 -37.024 1.00 0.00 H ATOM 495 H ASN A 38 2.490 19.714 -37.589 1.00 0.00 H ATOM 496 N GLU A 39 3.914 15.602 -37.141 1.00 79.37 N ATOM 497 CA GLU A 39 3.567 14.387 -36.434 1.00 75.37 C ATOM 498 C GLU A 39 3.926 14.604 -34.991 1.00 73.71 C ATOM 499 O GLU A 39 5.101 14.689 -34.615 1.00 74.96 O ATOM 500 CB GLU A 39 4.293 13.162 -36.968 1.00 76.46 C ATOM 501 CG GLU A 39 3.736 11.866 -36.395 1.00 73.96 C ATOM 502 CD GLU A 39 4.676 10.685 -36.526 1.00 75.43 C ATOM 503 OE1 GLU A 39 4.682 10.019 -37.582 1.00 76.94 O ATOM 504 OE2 GLU A 39 5.393 10.408 -35.546 1.00 77.09 O ATOM 505 HA GLU A 39 2.504 14.189 -36.568 1.00 0.00 H ATOM 506 HB2 GLU A 39 4.191 13.139 -38.053 1.00 0.00 H ATOM 507 HB3 GLU A 39 5.348 13.237 -36.705 1.00 0.00 H ATOM 508 HG2 GLU A 39 3.524 12.021 -35.337 1.00 0.00 H ATOM 509 HG3 GLU A 39 2.810 11.628 -36.919 1.00 0.00 H ATOM 510 H GLU A 39 4.731 15.603 -37.784 1.00 0.00 H ATOM 511 N VAL A 40 2.868 14.712 -34.199 1.00 70.72 N ATOM 512 CA VAL A 40 2.937 14.867 -32.766 1.00 68.39 C ATOM 513 C VAL A 40 2.854 13.484 -32.129 1.00 66.03 C ATOM 514 O VAL A 40 2.146 12.601 -32.621 1.00 65.03 O ATOM 515 CB VAL A 40 1.769 15.722 -32.288 1.00 66.89 C ATOM 516 CG1 VAL A 40 1.588 15.561 -30.825 1.00 66.37 C ATOM 517 CG2 VAL A 40 2.003 17.195 -32.629 1.00 69.05 C ATOM 518 HA VAL A 40 3.870 15.354 -32.485 1.00 0.00 H ATOM 519 HB VAL A 40 0.865 15.389 -32.798 1.00 0.00 H ATOM 520 HG11 VAL A 40 1.384 14.515 -30.598 1.00 0.00 H ATOM 521 HG12 VAL A 40 2.497 15.875 -30.311 1.00 0.00 H ATOM 522 HG13 VAL A 40 0.751 16.176 -30.494 1.00 0.00 H ATOM 523 HG21 VAL A 40 2.915 17.539 -32.142 1.00 0.00 H ATOM 524 HG22 VAL A 40 2.103 17.305 -33.709 1.00 0.00 H ATOM 525 HG23 VAL A 40 1.157 17.787 -32.279 1.00 0.00 H ATOM 526 H VAL A 40 1.926 14.683 -34.640 1.00 0.00 H ATOM 527 N THR A 41 3.592 13.306 -31.042 1.00 65.33 N ATOM 528 CA THR A 41 3.505 12.113 -30.235 1.00 63.16 C ATOM 529 C THR A 41 3.176 12.534 -28.817 1.00 61.97 C ATOM 530 O THR A 41 3.939 13.299 -28.191 1.00 63.39 O ATOM 531 CB THR A 41 4.829 11.385 -30.225 1.00 64.97 C ATOM 532 OG1 THR A 41 5.186 11.048 -31.570 1.00 66.79 O ATOM 533 CG2 THR A 41 4.742 10.123 -29.361 1.00 63.96 C ATOM 534 HA THR A 41 2.741 11.451 -30.642 1.00 0.00 H ATOM 535 HB THR A 41 5.595 12.032 -29.797 1.00 0.00 H ATOM 536 HG1 THR A 41 6.053 10.570 -31.570 1.00 0.00 H ATOM 537 HG23 THR A 41 4.470 10.400 -28.342 1.00 0.00 H ATOM 538 HG21 THR A 41 3.986 9.454 -29.772 1.00 0.00 H ATOM 539 HG22 THR A 41 5.709 9.620 -29.356 1.00 0.00 H ATOM 540 H THR A 41 4.258 14.054 -30.761 1.00 0.00 H ATOM 541 N VAL A 42 2.044 12.045 -28.310 1.00 59.38 N ATOM 542 CA VAL A 42 1.633 12.341 -26.938 1.00 57.96 C ATOM 543 C VAL A 42 1.334 11.092 -26.123 1.00 57.08 C ATOM 544 O VAL A 42 1.015 10.031 -26.675 1.00 56.87 O ATOM 545 CB VAL A 42 0.392 13.250 -26.886 1.00 56.69 C ATOM 546 CG1 VAL A 42 0.708 14.612 -27.431 1.00 58.37 C ATOM 547 CG2 VAL A 42 -0.764 12.633 -27.645 1.00 55.24 C ATOM 548 HA VAL A 42 2.489 12.855 -26.501 1.00 0.00 H ATOM 549 HB VAL A 42 0.097 13.355 -25.842 1.00 0.00 H ATOM 550 HG11 VAL A 42 1.502 15.065 -26.837 1.00 0.00 H ATOM 551 HG12 VAL A 42 1.035 14.521 -28.467 1.00 0.00 H ATOM 552 HG13 VAL A 42 -0.184 15.237 -27.384 1.00 0.00 H ATOM 553 HG21 VAL A 42 -0.478 12.490 -28.687 1.00 0.00 H ATOM 554 HG22 VAL A 42 -1.016 11.670 -27.201 1.00 0.00 H ATOM 555 HG23 VAL A 42 -1.627 13.296 -27.592 1.00 0.00 H ATOM 556 H VAL A 42 1.440 11.440 -28.903 1.00 0.00 H ATOM 557 N HIS A 43 1.465 11.233 -24.811 1.00 57.01 N ATOM 558 CA HIS A 43 0.881 10.315 -23.842 1.00 56.36 C ATOM 559 C HIS A 43 -0.270 11.047 -23.148 1.00 55.43 C ATOM 560 O HIS A 43 -0.199 12.264 -22.942 1.00 55.39 O ATOM 561 CB HIS A 43 1.921 9.880 -22.812 1.00 57.71 C ATOM 562 CG HIS A 43 2.445 8.496 -23.031 1.00 59.46 C ATOM 563 ND1 HIS A 43 1.637 7.379 -22.987 1.00 60.30 N ATOM 564 CD2 HIS A 43 3.697 8.043 -23.277 1.00 61.63 C ATOM 565 CE1 HIS A 43 2.367 6.299 -23.204 1.00 61.61 C ATOM 566 NE2 HIS A 43 3.620 6.675 -23.386 1.00 62.70 N ATOM 567 HA HIS A 43 0.522 9.418 -24.346 1.00 0.00 H ATOM 568 HB2 HIS A 43 2.759 10.576 -22.854 1.00 0.00 H ATOM 569 HB3 HIS A 43 1.465 9.923 -21.823 1.00 0.00 H ATOM 570 HD2 HIS A 43 4.598 8.650 -23.371 1.00 0.00 H ATOM 571 HE1 HIS A 43 1.998 5.274 -23.229 1.00 0.00 H ATOM 572 H HIS A 43 2.014 12.042 -24.455 1.00 0.00 H ATOM 573 N TYR A 44 -1.329 10.322 -22.790 1.00 54.52 N ATOM 574 CA TYR A 44 -2.519 10.981 -22.238 1.00 54.17 C ATOM 575 C TYR A 44 -3.356 10.092 -21.338 1.00 53.95 C ATOM 576 O TYR A 44 -3.302 8.873 -21.429 1.00 54.46 O ATOM 577 CB TYR A 44 -3.410 11.534 -23.368 1.00 53.10 C ATOM 578 CG TYR A 44 -4.062 10.446 -24.168 1.00 52.70 C ATOM 579 CD1 TYR A 44 -5.234 9.830 -23.721 1.00 53.94 C ATOM 580 CD2 TYR A 44 -3.506 10.007 -25.359 1.00 52.49 C ATOM 581 CE1 TYR A 44 -5.835 8.810 -24.455 1.00 52.68 C ATOM 582 CE2 TYR A 44 -4.098 8.992 -26.094 1.00 51.88 C ATOM 583 CZ TYR A 44 -5.257 8.402 -25.637 1.00 52.16 C ATOM 584 OH TYR A 44 -5.837 7.389 -26.364 1.00 54.15 O ATOM 585 HA TYR A 44 -2.136 11.792 -21.619 1.00 0.00 H ATOM 586 HB3 TYR A 44 -2.795 12.138 -24.035 1.00 0.00 H ATOM 587 HB2 TYR A 44 -4.187 12.158 -22.927 1.00 0.00 H ATOM 588 HD2 TYR A 44 -2.588 10.468 -25.724 1.00 0.00 H ATOM 589 HE2 TYR A 44 -3.649 8.661 -27.030 1.00 0.00 H ATOM 590 HE1 TYR A 44 -6.752 8.340 -24.098 1.00 0.00 H ATOM 591 HD1 TYR A 44 -5.685 10.153 -22.783 1.00 0.00 H ATOM 592 HH TYR A 44 -6.655 7.078 -25.901 1.00 0.00 H ATOM 593 H TYR A 44 -1.313 9.288 -22.902 1.00 0.00 H ATOM 594 N VAL A 45 -4.141 10.725 -20.483 1.00 54.10 N ATOM 595 CA VAL A 45 -5.177 10.044 -19.717 1.00 54.85 C ATOM 596 C VAL A 45 -6.484 10.809 -19.932 1.00 54.93 C ATOM 597 O VAL A 45 -6.528 12.037 -19.804 1.00 54.91 O ATOM 598 CB VAL A 45 -4.869 10.004 -18.192 1.00 56.23 C ATOM 599 CG1 VAL A 45 -5.922 9.188 -17.449 1.00 56.37 C ATOM 600 CG2 VAL A 45 -3.489 9.453 -17.935 1.00 56.83 C ATOM 601 HA VAL A 45 -5.237 9.011 -20.061 1.00 0.00 H ATOM 602 HB VAL A 45 -4.900 11.026 -17.815 1.00 0.00 H ATOM 603 HG11 VAL A 45 -6.902 9.640 -17.599 1.00 0.00 H ATOM 604 HG12 VAL A 45 -5.928 8.168 -17.834 1.00 0.00 H ATOM 605 HG13 VAL A 45 -5.685 9.175 -16.385 1.00 0.00 H ATOM 606 HG21 VAL A 45 -3.424 8.440 -18.333 1.00 0.00 H ATOM 607 HG22 VAL A 45 -2.749 10.086 -18.426 1.00 0.00 H ATOM 608 HG23 VAL A 45 -3.300 9.436 -16.862 1.00 0.00 H ATOM 609 H VAL A 45 -4.014 11.749 -20.352 1.00 0.00 H ATOM 610 N GLY A 46 -7.541 10.078 -20.261 1.00 55.05 N ATOM 611 CA GLY A 46 -8.837 10.685 -20.463 1.00 55.64 C ATOM 612 C GLY A 46 -9.817 10.188 -19.439 1.00 57.50 C ATOM 613 O GLY A 46 -10.056 8.988 -19.344 1.00 58.17 O ATOM 614 HA3 GLY A 46 -9.200 10.433 -21.459 1.00 0.00 H ATOM 615 HA2 GLY A 46 -8.744 11.767 -20.375 1.00 0.00 H ATOM 616 H GLY A 46 -7.435 9.050 -20.376 1.00 0.00 H ATOM 617 N LYS A 47 -10.363 11.115 -18.657 1.00 58.87 N ATOM 618 CA LYS A 47 -11.456 10.823 -17.744 1.00 60.99 C ATOM 619 C LYS A 47 -12.661 11.694 -18.078 1.00 62.33 C ATOM 620 O LYS A 47 -12.538 12.739 -18.740 1.00 61.38 O ATOM 621 CB LYS A 47 -11.051 11.082 -16.306 1.00 62.36 C ATOM 622 CG LYS A 47 -9.767 10.430 -15.884 1.00 62.90 C ATOM 623 CD LYS A 47 -9.252 11.064 -14.600 1.00 65.93 C ATOM 624 CE LYS A 47 -8.226 10.164 -13.941 1.00 68.10 C ATOM 625 NZ LYS A 47 -7.603 10.783 -12.739 1.00 70.97 N ATOM 626 HA LYS A 47 -11.711 9.769 -17.857 1.00 0.00 H ATOM 627 HB2 LYS A 47 -10.944 12.159 -16.173 1.00 0.00 H ATOM 628 HB3 LYS A 47 -11.847 10.714 -15.658 1.00 0.00 H ATOM 629 HG2 LYS A 47 -9.941 9.367 -15.716 1.00 0.00 H ATOM 630 HG3 LYS A 47 -9.024 10.556 -16.671 1.00 0.00 H ATOM 631 HD2 LYS A 47 -8.791 12.024 -14.833 1.00 0.00 H ATOM 632 HD3 LYS A 47 -10.086 11.219 -13.916 1.00 0.00 H ATOM 633 HE2 LYS A 47 -7.442 9.941 -14.664 1.00 0.00 H ATOM 634 HE3 LYS A 47 -8.716 9.238 -13.642 1.00 0.00 H ATOM 635 HZ1 LYS A 47 -7.124 11.664 -13.013 1.00 0.00 H ATOM 636 HZ2 LYS A 47 -8.341 10.992 -12.037 1.00 0.00 H ATOM 637 HZ3 LYS A 47 -6.911 10.123 -12.330 1.00 0.00 H ATOM 638 H LYS A 47 -9.994 12.086 -18.700 1.00 0.00 H ATOM 639 N LEU A 48 -13.830 11.243 -17.625 1.00 64.62 N ATOM 640 CA LEU A 48 -15.064 12.012 -17.713 1.00 66.48 C ATOM 641 C LEU A 48 -15.187 12.901 -16.481 1.00 68.70 C ATOM 642 O LEU A 48 -15.083 12.415 -15.354 1.00 70.29 O ATOM 643 CB LEU A 48 -16.250 11.055 -17.741 1.00 68.45 C ATOM 644 CG LEU A 48 -16.475 10.119 -18.918 1.00 66.74 C ATOM 645 CD1 LEU A 48 -17.554 9.126 -18.535 1.00 68.91 C ATOM 646 CD2 LEU A 48 -16.858 10.896 -20.177 1.00 65.26 C ATOM 647 HA LEU A 48 -15.052 12.621 -18.617 1.00 0.00 H ATOM 648 HB2 LEU A 48 -16.160 10.425 -16.856 1.00 0.00 H ATOM 649 HB3 LEU A 48 -17.146 11.670 -17.658 1.00 0.00 H ATOM 650 HG LEU A 48 -15.552 9.588 -19.148 1.00 0.00 H ATOM 651 HD21 LEU A 48 -17.777 11.452 -19.994 1.00 0.00 H ATOM 652 HD22 LEU A 48 -16.057 11.590 -20.432 1.00 0.00 H ATOM 653 HD23 LEU A 48 -17.012 10.198 -21.000 1.00 0.00 H ATOM 654 HD11 LEU A 48 -17.231 8.559 -17.662 1.00 0.00 H ATOM 655 HD12 LEU A 48 -18.474 9.663 -18.302 1.00 0.00 H ATOM 656 HD13 LEU A 48 -17.731 8.444 -19.367 1.00 0.00 H ATOM 657 H LEU A 48 -13.863 10.299 -17.189 1.00 0.00 H ATOM 658 N GLU A 49 -15.427 14.192 -16.675 1.00 69.48 N ATOM 659 CA GLU A 49 -15.546 15.106 -15.537 1.00 71.79 C ATOM 660 C GLU A 49 -16.636 14.683 -14.562 1.00 75.28 C ATOM 661 O GLU A 49 -16.434 14.731 -13.351 1.00 76.74 O ATOM 662 CB GLU A 49 -15.787 16.535 -16.003 1.00 72.64 C ATOM 663 CG GLU A 49 -15.967 17.537 -14.876 1.00 75.09 C ATOM 664 CD GLU A 49 -16.201 18.929 -15.402 1.00 76.98 C ATOM 665 OE1 GLU A 49 -17.372 19.297 -15.648 1.00 79.14 O ATOM 666 OE2 GLU A 49 -15.203 19.656 -15.581 1.00 76.81 O ATOM 667 HA GLU A 49 -14.595 15.062 -15.006 1.00 0.00 H ATOM 668 HB2 GLU A 49 -14.933 16.847 -16.605 1.00 0.00 H ATOM 669 HB3 GLU A 49 -16.687 16.547 -16.618 1.00 0.00 H ATOM 670 HG2 GLU A 49 -16.823 17.239 -14.271 1.00 0.00 H ATOM 671 HG3 GLU A 49 -15.070 17.539 -14.257 1.00 0.00 H ATOM 672 H GLU A 49 -15.531 14.557 -17.643 1.00 0.00 H ATOM 673 N SER A 50 -17.778 14.266 -15.103 1.00 77.11 N ATOM 674 CA SER A 50 -18.894 13.766 -14.312 1.00 81.17 C ATOM 675 C SER A 50 -18.457 12.741 -13.264 1.00 81.90 C ATOM 676 O SER A 50 -18.646 12.959 -12.073 1.00 84.68 O ATOM 677 CB SER A 50 -19.940 13.140 -15.227 1.00 82.31 C ATOM 678 OG SER A 50 -19.340 12.144 -16.048 1.00 80.66 O ATOM 679 HA SER A 50 -19.317 14.619 -13.782 1.00 0.00 H ATOM 680 HB2 SER A 50 -20.376 13.914 -15.859 1.00 0.00 H ATOM 681 HB3 SER A 50 -20.723 12.684 -14.621 1.00 0.00 H ATOM 682 HG SER A 50 -20.028 11.745 -16.637 1.00 0.00 H ATOM 683 H SER A 50 -17.878 14.299 -16.138 1.00 0.00 H ATOM 684 N THR A 51 -17.861 11.634 -13.696 1.00 80.00 N ATOM 685 CA THR A 51 -17.610 10.530 -12.768 1.00 81.66 C ATOM 686 C THR A 51 -16.143 10.339 -12.383 1.00 79.56 C ATOM 687 O THR A 51 -15.836 9.544 -11.494 1.00 80.89 O ATOM 688 CB THR A 51 -18.216 9.184 -13.266 1.00 82.33 C ATOM 689 OG1 THR A 51 -17.728 8.884 -14.571 1.00 80.34 O ATOM 690 CG2 THR A 51 -19.719 9.266 -13.336 1.00 86.21 C ATOM 691 HA THR A 51 -18.128 10.834 -11.858 1.00 0.00 H ATOM 692 HB THR A 51 -17.924 8.406 -12.560 1.00 0.00 H ATOM 693 HG1 THR A 51 -18.118 8.028 -14.879 1.00 0.00 H ATOM 694 HG23 THR A 51 -20.116 9.495 -12.347 1.00 0.00 H ATOM 695 HG21 THR A 51 -20.007 10.051 -14.035 1.00 0.00 H ATOM 696 HG22 THR A 51 -20.118 8.311 -13.677 1.00 0.00 H ATOM 697 H THR A 51 -17.573 11.552 -14.692 1.00 0.00 H ATOM 698 N GLY A 52 -15.244 11.074 -13.036 1.00 76.91 N ATOM 699 CA GLY A 52 -13.793 10.908 -12.824 1.00 75.08 C ATOM 700 C GLY A 52 -13.271 9.542 -13.264 1.00 73.93 C ATOM 701 O GLY A 52 -12.148 9.152 -12.930 1.00 73.08 O ATOM 702 HA3 GLY A 52 -13.581 11.034 -11.762 1.00 0.00 H ATOM 703 HA2 GLY A 52 -13.270 11.678 -13.391 1.00 0.00 H ATOM 704 H GLY A 52 -15.575 11.787 -13.717 1.00 0.00 H ATOM 705 N LYS A 53 -14.101 8.819 -14.010 1.00 73.99 N ATOM 706 CA LYS A 53 -13.764 7.498 -14.518 1.00 73.57 C ATOM 707 C LYS A 53 -12.823 7.602 -15.736 1.00 69.62 C ATOM 708 O LYS A 53 -13.096 8.346 -16.687 1.00 68.57 O ATOM 709 CB LYS A 53 -15.062 6.765 -14.880 1.00 75.78 C ATOM 710 CG LYS A 53 -14.907 5.357 -15.453 1.00 77.49 C ATOM 711 CD LYS A 53 -16.254 4.898 -16.054 1.00 82.24 C ATOM 712 CE LYS A 53 -16.178 3.501 -16.675 1.00 82.52 C ATOM 713 NZ LYS A 53 -16.360 2.452 -15.633 1.00 85.44 N ATOM 714 HA LYS A 53 -13.233 6.934 -13.751 1.00 0.00 H ATOM 715 HB2 LYS A 53 -15.665 6.691 -13.975 1.00 0.00 H ATOM 716 HB3 LYS A 53 -15.590 7.368 -15.619 1.00 0.00 H ATOM 717 HG2 LYS A 53 -14.144 5.362 -16.231 1.00 0.00 H ATOM 718 HG3 LYS A 53 -14.610 4.671 -14.659 1.00 0.00 H ATOM 719 HD2 LYS A 53 -17.004 4.888 -15.263 1.00 0.00 H ATOM 720 HD3 LYS A 53 -16.552 5.608 -16.826 1.00 0.00 H ATOM 721 HE2 LYS A 53 -15.204 3.371 -17.148 1.00 0.00 H ATOM 722 HE3 LYS A 53 -16.961 3.400 -17.426 1.00 0.00 H ATOM 723 HZ1 LYS A 53 -15.612 2.543 -14.916 1.00 0.00 H ATOM 724 HZ2 LYS A 53 -17.290 2.570 -15.182 1.00 0.00 H ATOM 725 HZ3 LYS A 53 -16.305 1.512 -16.075 1.00 0.00 H ATOM 726 H LYS A 53 -15.034 9.216 -14.241 1.00 0.00 H ATOM 727 N VAL A 54 -11.716 6.866 -15.705 1.00 67.67 N ATOM 728 CA VAL A 54 -10.832 6.813 -16.859 1.00 64.18 C ATOM 729 C VAL A 54 -11.538 6.075 -17.979 1.00 64.10 C ATOM 730 O VAL A 54 -12.064 4.987 -17.771 1.00 66.53 O ATOM 731 CB VAL A 54 -9.524 6.083 -16.545 1.00 63.67 C ATOM 732 CG1 VAL A 54 -8.683 5.936 -17.801 1.00 60.84 C ATOM 733 CG2 VAL A 54 -8.742 6.830 -15.485 1.00 63.88 C ATOM 734 HA VAL A 54 -10.590 7.837 -17.145 1.00 0.00 H ATOM 735 HB VAL A 54 -9.769 5.090 -16.167 1.00 0.00 H ATOM 736 HG11 VAL A 54 -9.239 5.364 -18.544 1.00 0.00 H ATOM 737 HG12 VAL A 54 -8.451 6.924 -18.199 1.00 0.00 H ATOM 738 HG13 VAL A 54 -7.757 5.415 -17.558 1.00 0.00 H ATOM 739 HG21 VAL A 54 -8.511 7.833 -15.845 1.00 0.00 H ATOM 740 HG22 VAL A 54 -9.338 6.897 -14.575 1.00 0.00 H ATOM 741 HG23 VAL A 54 -7.815 6.296 -15.275 1.00 0.00 H ATOM 742 H VAL A 54 -11.480 6.324 -14.849 1.00 0.00 H ATOM 743 N PHE A 55 -11.575 6.675 -19.161 1.00 62.06 N ATOM 744 CA PHE A 55 -12.064 5.966 -20.344 1.00 61.54 C ATOM 745 C PHE A 55 -10.931 5.514 -21.264 1.00 60.00 C ATOM 746 O PHE A 55 -11.134 4.642 -22.124 1.00 60.42 O ATOM 747 CB PHE A 55 -13.113 6.782 -21.132 1.00 61.43 C ATOM 748 CG PHE A 55 -12.647 8.146 -21.577 1.00 58.65 C ATOM 749 CD1 PHE A 55 -11.967 8.307 -22.777 1.00 56.63 C ATOM 750 CD2 PHE A 55 -12.931 9.283 -20.814 1.00 58.27 C ATOM 751 CE1 PHE A 55 -11.547 9.577 -23.198 1.00 54.67 C ATOM 752 CE2 PHE A 55 -12.522 10.544 -21.229 1.00 55.87 C ATOM 753 CZ PHE A 55 -11.826 10.688 -22.420 1.00 54.85 C ATOM 754 HA PHE A 55 -12.559 5.072 -19.965 1.00 0.00 H ATOM 755 HB2 PHE A 55 -13.391 6.212 -22.019 1.00 0.00 H ATOM 756 HB3 PHE A 55 -13.989 6.913 -20.497 1.00 0.00 H ATOM 757 HD2 PHE A 55 -13.482 9.178 -19.879 1.00 0.00 H ATOM 758 HE2 PHE A 55 -12.748 11.419 -20.620 1.00 0.00 H ATOM 759 HZ PHE A 55 -11.499 11.676 -22.744 1.00 0.00 H ATOM 760 HE1 PHE A 55 -11.002 9.689 -24.135 1.00 0.00 H ATOM 761 HD1 PHE A 55 -11.757 7.437 -23.399 1.00 0.00 H ATOM 762 H PHE A 55 -11.253 7.660 -19.248 1.00 0.00 H ATOM 763 N ASP A 56 -9.757 6.123 -21.095 1.00 58.10 N ATOM 764 CA ASP A 56 -8.625 5.839 -21.952 1.00 56.99 C ATOM 765 C ASP A 56 -7.307 6.287 -21.342 1.00 56.29 C ATOM 766 O ASP A 56 -7.195 7.373 -20.757 1.00 56.38 O ATOM 767 CB ASP A 56 -8.804 6.497 -23.324 1.00 56.18 C ATOM 768 CG ASP A 56 -7.906 5.879 -24.394 1.00 56.93 C ATOM 769 OD1 ASP A 56 -7.277 4.829 -24.123 1.00 59.36 O ATOM 770 OD2 ASP A 56 -7.824 6.436 -25.510 1.00 55.92 O ATOM 771 HA ASP A 56 -8.588 4.756 -22.067 1.00 0.00 H ATOM 772 HB2 ASP A 56 -9.843 6.384 -23.633 1.00 0.00 H ATOM 773 HB3 ASP A 56 -8.565 7.557 -23.237 1.00 0.00 H ATOM 774 H ASP A 56 -9.652 6.819 -20.329 1.00 0.00 H ATOM 775 N SER A 57 -6.296 5.449 -21.504 1.00 55.76 N ATOM 776 CA SER A 57 -4.987 5.759 -20.978 1.00 55.17 C ATOM 777 C SER A 57 -3.950 5.217 -21.915 1.00 54.69 C ATOM 778 O SER A 57 -3.860 4.004 -22.086 1.00 56.18 O ATOM 779 CB SER A 57 -4.811 5.117 -19.608 1.00 56.77 C ATOM 780 OG SER A 57 -3.577 5.498 -19.035 1.00 56.97 O ATOM 781 HA SER A 57 -4.880 6.839 -20.881 1.00 0.00 H ATOM 782 HB2 SER A 57 -4.837 4.033 -19.714 1.00 0.00 H ATOM 783 HB3 SER A 57 -5.623 5.437 -18.955 1.00 0.00 H ATOM 784 HG SER A 57 -3.481 5.071 -18.147 1.00 0.00 H ATOM 785 H SER A 57 -6.446 4.556 -22.016 1.00 0.00 H ATOM 786 N SER A 58 -3.178 6.101 -22.536 1.00 53.17 N ATOM 787 CA SER A 58 -2.088 5.648 -23.392 1.00 53.21 C ATOM 788 C SER A 58 -0.954 5.108 -22.531 1.00 54.16 C ATOM 789 O SER A 58 -0.278 4.184 -22.941 1.00 54.82 O ATOM 790 CB SER A 58 -1.594 6.755 -24.316 1.00 52.47 C ATOM 791 OG SER A 58 -0.978 7.789 -23.571 1.00 53.62 O ATOM 792 HA SER A 58 -2.464 4.849 -24.031 1.00 0.00 H ATOM 793 HB2 SER A 58 -2.440 7.166 -24.867 1.00 0.00 H ATOM 794 HB3 SER A 58 -0.871 6.340 -25.018 1.00 0.00 H ATOM 795 HG SER A 58 -0.207 7.420 -23.071 1.00 0.00 H ATOM 796 H SER A 58 -3.351 7.119 -22.412 1.00 0.00 H ATOM 797 N PHE A 59 -0.783 5.691 -21.339 1.00 54.24 N ATOM 798 CA PHE A 59 0.160 5.219 -20.332 1.00 56.09 C ATOM 799 C PHE A 59 -0.085 3.736 -19.982 1.00 57.93 C ATOM 800 O PHE A 59 0.842 2.916 -19.949 1.00 59.77 O ATOM 801 CB PHE A 59 0.014 6.035 -19.047 1.00 56.27 C ATOM 802 CG PHE A 59 0.505 7.458 -19.138 1.00 55.40 C ATOM 803 CD1 PHE A 59 1.858 7.744 -19.326 1.00 55.59 C ATOM 804 CD2 PHE A 59 -0.386 8.526 -18.981 1.00 53.81 C ATOM 805 CE1 PHE A 59 2.308 9.068 -19.389 1.00 54.55 C ATOM 806 CE2 PHE A 59 0.056 9.858 -19.043 1.00 52.86 C ATOM 807 CZ PHE A 59 1.404 10.124 -19.247 1.00 53.85 C ATOM 808 HA PHE A 59 1.160 5.334 -20.750 1.00 0.00 H ATOM 809 HB2 PHE A 59 -1.042 6.058 -18.778 1.00 0.00 H ATOM 810 HB3 PHE A 59 0.577 5.532 -18.261 1.00 0.00 H ATOM 811 HD2 PHE A 59 -1.442 8.320 -18.807 1.00 0.00 H ATOM 812 HE2 PHE A 59 -0.654 10.677 -18.932 1.00 0.00 H ATOM 813 HZ PHE A 59 1.756 11.154 -19.296 1.00 0.00 H ATOM 814 HE1 PHE A 59 3.366 9.276 -19.549 1.00 0.00 H ATOM 815 HD1 PHE A 59 2.573 6.927 -19.425 1.00 0.00 H ATOM 816 H PHE A 59 -1.356 6.530 -21.118 1.00 0.00 H ATOM 817 N ASP A 60 -1.342 3.406 -19.709 1.00 57.86 N ATOM 818 CA ASP A 60 -1.718 2.065 -19.279 1.00 59.77 C ATOM 819 C ASP A 60 -1.572 1.028 -20.394 1.00 60.39 C ATOM 820 O ASP A 60 -1.409 -0.159 -20.109 1.00 62.49 O ATOM 821 CB ASP A 60 -3.158 2.051 -18.744 1.00 59.65 C ATOM 822 CG ASP A 60 -3.356 2.950 -17.525 1.00 59.46 C ATOM 823 OD1 ASP A 60 -2.375 3.473 -16.949 1.00 57.62 O ATOM 824 OD2 ASP A 60 -4.527 3.132 -17.145 1.00 59.87 O ATOM 825 HA ASP A 60 -1.028 1.790 -18.481 1.00 0.00 H ATOM 826 HB2 ASP A 60 -3.826 2.389 -19.536 1.00 0.00 H ATOM 827 HB3 ASP A 60 -3.415 1.029 -18.466 1.00 0.00 H ATOM 828 H ASP A 60 -2.083 4.129 -19.805 1.00 0.00 H ATOM 829 N ARG A 61 -1.648 1.471 -21.649 1.00 58.76 N ATOM 830 CA ARG A 61 -1.461 0.579 -22.787 1.00 59.87 C ATOM 831 C ARG A 61 -0.009 0.605 -23.248 1.00 60.76 C ATOM 832 O ARG A 61 0.406 -0.242 -24.040 1.00 62.18 O ATOM 833 CB ARG A 61 -2.379 0.951 -23.957 1.00 58.49 C ATOM 834 CG ARG A 61 -3.867 1.053 -23.618 1.00 59.54 C ATOM 835 CD ARG A 61 -4.706 1.374 -24.852 1.00 60.68 C ATOM 836 NE ARG A 61 -4.004 2.293 -25.753 1.00 61.14 N ATOM 837 CZ ARG A 61 -4.371 3.550 -26.009 1.00 59.55 C ATOM 838 NH1 ARG A 61 -5.455 4.073 -25.444 1.00 57.56 N ATOM 839 NH2 ARG A 61 -3.644 4.283 -26.849 1.00 58.42 N ATOM 840 HA ARG A 61 -1.722 -0.427 -22.458 1.00 0.00 H ATOM 841 HB2 ARG A 61 -2.055 1.917 -24.345 1.00 0.00 H ATOM 842 HB3 ARG A 61 -2.262 0.193 -24.731 1.00 0.00 H ATOM 843 HG2 ARG A 61 -4.201 0.103 -23.201 1.00 0.00 H ATOM 844 HG3 ARG A 61 -4.008 1.842 -22.879 1.00 0.00 H ATOM 845 HD2 ARG A 61 -5.642 1.834 -24.535 1.00 0.00 H ATOM 846 HD3 ARG A 61 -4.920 0.448 -25.386 1.00 0.00 H ATOM 847 HE ARG A 61 -3.152 1.937 -26.231 1.00 0.00 H ATOM 848 HH12 ARG A 61 -5.728 5.054 -25.653 1.00 0.00 H ATOM 849 HH11 ARG A 61 -6.029 3.501 -24.793 1.00 0.00 H ATOM 850 HH22 ARG A 61 -3.920 5.264 -27.056 1.00 0.00 H ATOM 851 HH21 ARG A 61 -2.800 3.875 -27.298 1.00 0.00 H ATOM 852 H ARG A 61 -1.846 2.478 -21.821 1.00 0.00 H ATOM 853 N ASN A 62 0.754 1.575 -22.739 1.00 60.55 N ATOM 854 CA ASN A 62 2.166 1.766 -23.086 1.00 61.86 C ATOM 855 C ASN A 62 2.368 1.909 -24.588 1.00 61.67 C ATOM 856 O ASN A 62 3.280 1.309 -25.173 1.00 63.72 O ATOM 857 CB ASN A 62 3.034 0.630 -22.539 1.00 64.94 C ATOM 858 CG ASN A 62 4.511 0.929 -22.649 1.00 67.34 C ATOM 859 OD1 ASN A 62 4.944 2.070 -22.459 1.00 68.27 O ATOM 860 ND2 ASN A 62 5.296 -0.089 -22.965 1.00 69.94 N ATOM 861 HA ASN A 62 2.481 2.698 -22.616 1.00 0.00 H ATOM 862 HB2 ASN A 62 2.785 0.474 -21.489 1.00 0.00 H ATOM 863 HB3 ASN A 62 2.818 -0.278 -23.102 1.00 0.00 H ATOM 864 HD22 ASN A 62 4.887 -1.033 -23.116 1.00 0.00 H ATOM 865 HD21 ASN A 62 6.321 0.056 -23.062 1.00 0.00 H ATOM 866 H ASN A 62 0.323 2.232 -22.058 1.00 0.00 H ATOM 867 N VAL A 63 1.477 2.682 -25.206 1.00 59.62 N ATOM 868 CA VAL A 63 1.533 3.000 -26.622 1.00 59.17 C ATOM 869 C VAL A 63 1.188 4.469 -26.764 1.00 57.51 C ATOM 870 O VAL A 63 0.006 4.835 -26.673 1.00 56.07 O ATOM 871 CB VAL A 63 0.496 2.189 -27.415 1.00 59.28 C ATOM 872 CG1 VAL A 63 0.599 2.474 -28.929 1.00 59.16 C ATOM 873 CG2 VAL A 63 0.636 0.700 -27.113 1.00 61.68 C ATOM 874 HA VAL A 63 2.525 2.765 -27.007 1.00 0.00 H ATOM 875 HB VAL A 63 -0.498 2.503 -27.097 1.00 0.00 H ATOM 876 HG11 VAL A 63 0.423 3.534 -29.111 1.00 0.00 H ATOM 877 HG12 VAL A 63 1.594 2.204 -29.281 1.00 0.00 H ATOM 878 HG13 VAL A 63 -0.148 1.884 -29.460 1.00 0.00 H ATOM 879 HG21 VAL A 63 1.635 0.366 -27.392 1.00 0.00 H ATOM 880 HG22 VAL A 63 0.479 0.530 -26.048 1.00 0.00 H ATOM 881 HG23 VAL A 63 -0.107 0.143 -27.684 1.00 0.00 H ATOM 882 H VAL A 63 0.698 3.080 -24.644 1.00 0.00 H ATOM 883 N PRO A 64 2.212 5.317 -26.989 1.00 58.20 N ATOM 884 CA PRO A 64 2.012 6.755 -27.172 1.00 57.24 C ATOM 885 C PRO A 64 1.180 6.994 -28.419 1.00 57.00 C ATOM 886 O PRO A 64 1.198 6.164 -29.339 1.00 57.63 O ATOM 887 CB PRO A 64 3.432 7.290 -27.374 1.00 59.12 C ATOM 888 CG PRO A 64 4.337 6.219 -26.844 1.00 60.74 C ATOM 889 CD PRO A 64 3.628 4.939 -27.130 1.00 60.20 C ATOM 890 HA PRO A 64 1.494 7.233 -26.340 1.00 0.00 H ATOM 891 HD3 PRO A 64 3.843 4.587 -28.139 1.00 0.00 H ATOM 892 HD2 PRO A 64 3.903 4.167 -26.411 1.00 0.00 H ATOM 893 HG3 PRO A 64 4.489 6.342 -25.772 1.00 0.00 H ATOM 894 HG2 PRO A 64 5.301 6.245 -27.352 1.00 0.00 H ATOM 895 HB2 PRO A 64 3.627 7.466 -28.432 1.00 0.00 H ATOM 896 HB3 PRO A 64 3.573 8.218 -26.820 1.00 0.00 H ATOM 897 N PHE A 65 0.434 8.101 -28.439 1.00 56.40 N ATOM 898 CA PHE A 65 -0.468 8.416 -29.554 1.00 55.97 C ATOM 899 C PHE A 65 0.249 9.364 -30.483 1.00 57.26 C ATOM 900 O PHE A 65 0.744 10.404 -30.049 1.00 58.15 O ATOM 901 CB PHE A 65 -1.749 9.081 -29.036 1.00 54.97 C ATOM 902 CG PHE A 65 -2.875 9.102 -30.036 1.00 54.90 C ATOM 903 CD1 PHE A 65 -3.918 8.196 -29.938 1.00 55.01 C ATOM 904 CD2 PHE A 65 -2.889 10.026 -31.080 1.00 55.97 C ATOM 905 CE1 PHE A 65 -4.962 8.207 -30.878 1.00 57.06 C ATOM 906 CE2 PHE A 65 -3.918 10.036 -32.034 1.00 55.92 C ATOM 907 CZ PHE A 65 -4.957 9.135 -31.931 1.00 55.36 C ATOM 908 HA PHE A 65 -0.743 7.499 -30.075 1.00 0.00 H ATOM 909 HB2 PHE A 65 -2.085 8.538 -28.153 1.00 0.00 H ATOM 910 HB3 PHE A 65 -1.515 10.109 -28.761 1.00 0.00 H ATOM 911 HD2 PHE A 65 -2.083 10.756 -31.157 1.00 0.00 H ATOM 912 HE2 PHE A 65 -3.896 10.754 -32.854 1.00 0.00 H ATOM 913 HZ PHE A 65 -5.767 9.143 -32.661 1.00 0.00 H ATOM 914 HE1 PHE A 65 -5.780 7.492 -30.789 1.00 0.00 H ATOM 915 HD1 PHE A 65 -3.929 7.469 -29.126 1.00 0.00 H ATOM 916 H PHE A 65 0.494 8.762 -27.638 1.00 0.00 H ATOM 917 N LYS A 66 0.332 9.003 -31.751 1.00 58.25 N ATOM 918 CA LYS A 66 0.909 9.897 -32.742 1.00 60.37 C ATOM 919 C LYS A 66 -0.205 10.449 -33.622 1.00 60.54 C ATOM 920 O LYS A 66 -1.123 9.715 -33.983 1.00 60.26 O ATOM 921 CB LYS A 66 1.929 9.153 -33.613 1.00 62.84 C ATOM 922 CG LYS A 66 3.141 8.621 -32.878 1.00 63.50 C ATOM 923 CD LYS A 66 4.060 7.893 -33.818 1.00 66.95 C ATOM 924 CE LYS A 66 5.325 7.422 -33.081 1.00 70.99 C ATOM 925 NZ LYS A 66 6.367 6.822 -33.987 1.00 74.24 N ATOM 926 HA LYS A 66 1.421 10.712 -32.229 1.00 0.00 H ATOM 927 HB2 LYS A 66 1.421 8.309 -34.081 1.00 0.00 H ATOM 928 HB3 LYS A 66 2.277 9.839 -34.385 1.00 0.00 H ATOM 929 HG2 LYS A 66 3.679 9.454 -32.426 1.00 0.00 H ATOM 930 HG3 LYS A 66 2.813 7.935 -32.097 1.00 0.00 H ATOM 931 HD2 LYS A 66 3.541 7.027 -34.228 1.00 0.00 H ATOM 932 HD3 LYS A 66 4.346 8.562 -34.630 1.00 0.00 H ATOM 933 HE2 LYS A 66 5.035 6.672 -32.345 1.00 0.00 H ATOM 934 HE3 LYS A 66 5.765 8.279 -32.571 1.00 0.00 H ATOM 935 HZ1 LYS A 66 5.966 5.995 -34.474 1.00 0.00 H ATOM 936 HZ2 LYS A 66 6.663 7.530 -34.689 1.00 0.00 H ATOM 937 HZ3 LYS A 66 7.189 6.528 -33.421 1.00 0.00 H ATOM 938 H LYS A 66 -0.019 8.069 -32.044 1.00 0.00 H ATOM 939 N PHE A 67 -0.149 11.737 -33.946 1.00 61.52 N ATOM 940 CA PHE A 67 -1.056 12.298 -34.947 1.00 62.89 C ATOM 941 C PHE A 67 -0.498 13.556 -35.592 1.00 65.72 C ATOM 942 O PHE A 67 0.467 14.140 -35.098 1.00 66.81 O ATOM 943 CB PHE A 67 -2.471 12.526 -34.393 1.00 61.11 C ATOM 944 CG PHE A 67 -2.560 13.582 -33.326 1.00 60.84 C ATOM 945 CD1 PHE A 67 -3.077 14.833 -33.620 1.00 60.94 C ATOM 946 CD2 PHE A 67 -2.151 13.316 -32.018 1.00 59.62 C ATOM 947 CE1 PHE A 67 -3.171 15.798 -32.642 1.00 60.74 C ATOM 948 CE2 PHE A 67 -2.243 14.286 -31.033 1.00 58.80 C ATOM 949 CZ PHE A 67 -2.755 15.523 -31.344 1.00 59.65 C ATOM 950 HA PHE A 67 -1.140 11.547 -35.733 1.00 0.00 H ATOM 951 HB2 PHE A 67 -3.117 12.821 -35.220 1.00 0.00 H ATOM 952 HB3 PHE A 67 -2.828 11.586 -33.973 1.00 0.00 H ATOM 953 HD2 PHE A 67 -1.754 12.332 -31.768 1.00 0.00 H ATOM 954 HE2 PHE A 67 -1.911 14.069 -30.018 1.00 0.00 H ATOM 955 HZ PHE A 67 -2.835 16.289 -30.573 1.00 0.00 H ATOM 956 HE1 PHE A 67 -3.573 16.781 -32.886 1.00 0.00 H ATOM 957 HD1 PHE A 67 -3.412 15.055 -34.633 1.00 0.00 H ATOM 958 H PHE A 67 0.548 12.353 -33.482 1.00 0.00 H ATOM 959 N HIS A 68 -1.101 13.950 -36.708 1.00 67.65 N ATOM 960 CA HIS A 68 -0.723 15.166 -37.407 1.00 71.01 C ATOM 961 C HIS A 68 -1.566 16.340 -36.910 1.00 71.46 C ATOM 962 O HIS A 68 -2.821 16.346 -37.013 1.00 70.47 O ATOM 963 CB HIS A 68 -0.845 14.979 -38.918 1.00 73.43 C ATOM 964 CG HIS A 68 -0.057 13.819 -39.435 1.00 74.21 C ATOM 965 ND1 HIS A 68 1.318 13.829 -39.507 1.00 76.06 N ATOM 966 CD2 HIS A 68 -0.447 12.600 -39.876 1.00 74.24 C ATOM 967 CE1 HIS A 68 1.741 12.672 -39.981 1.00 75.92 C ATOM 968 NE2 HIS A 68 0.691 11.909 -40.215 1.00 75.36 N ATOM 969 HA HIS A 68 0.322 15.390 -37.193 1.00 0.00 H ATOM 970 HB2 HIS A 68 -1.895 14.822 -39.164 1.00 0.00 H ATOM 971 HB3 HIS A 68 -0.490 15.885 -39.409 1.00 0.00 H ATOM 972 HD2 HIS A 68 -1.472 12.235 -39.949 1.00 0.00 H ATOM 973 HE1 HIS A 68 2.781 12.394 -40.150 1.00 0.00 H ATOM 974 H HIS A 68 -1.871 13.367 -37.095 1.00 0.00 H ATOM 975 N LEU A 69 -0.843 17.323 -36.367 1.00 73.03 N ATOM 976 CA LEU A 69 -1.416 18.467 -35.654 1.00 73.78 C ATOM 977 C LEU A 69 -2.325 19.378 -36.492 1.00 76.40 C ATOM 978 O LEU A 69 -1.980 19.796 -37.608 1.00 79.44 O ATOM 979 CB LEU A 69 -0.298 19.279 -34.980 1.00 74.93 C ATOM 980 CG LEU A 69 -0.642 20.534 -34.164 1.00 75.98 C ATOM 981 CD1 LEU A 69 -1.734 20.311 -33.112 1.00 72.82 C ATOM 982 CD2 LEU A 69 0.614 21.096 -33.510 1.00 78.04 C ATOM 983 HA LEU A 69 -2.080 18.037 -34.904 1.00 0.00 H ATOM 984 HB2 LEU A 69 0.222 18.599 -34.306 1.00 0.00 H ATOM 985 HB3 LEU A 69 0.382 19.595 -35.771 1.00 0.00 H ATOM 986 HG LEU A 69 -1.050 21.254 -34.873 1.00 0.00 H ATOM 987 HD21 LEU A 69 1.044 20.345 -32.847 1.00 0.00 H ATOM 988 HD22 LEU A 69 1.338 21.358 -34.282 1.00 0.00 H ATOM 989 HD23 LEU A 69 0.356 21.985 -32.935 1.00 0.00 H ATOM 990 HD11 LEU A 69 -2.650 19.985 -33.605 1.00 0.00 H ATOM 991 HD12 LEU A 69 -1.407 19.547 -32.407 1.00 0.00 H ATOM 992 HD13 LEU A 69 -1.919 21.244 -32.579 1.00 0.00 H ATOM 993 H LEU A 69 0.192 17.273 -36.456 1.00 0.00 H ATOM 994 N GLU A 70 -3.497 19.661 -35.929 1.00 75.67 N ATOM 995 CA GLU A 70 -4.458 20.609 -36.496 1.00 78.42 C ATOM 996 C GLU A 70 -5.046 20.182 -37.828 1.00 79.92 C ATOM 997 O GLU A 70 -5.872 20.895 -38.390 1.00 83.02 O ATOM 998 CB GLU A 70 -3.865 22.016 -36.561 1.00 81.44 C ATOM 999 CG GLU A 70 -3.532 22.525 -35.177 1.00 82.19 C ATOM 1000 CD GLU A 70 -2.901 23.901 -35.154 1.00 88.31 C ATOM 1001 OE1 GLU A 70 -2.023 24.183 -36.005 1.00 91.96 O ATOM 1002 OE2 GLU A 70 -3.275 24.697 -34.256 1.00 89.42 O ATOM 1003 HA GLU A 70 -5.304 20.620 -35.809 1.00 0.00 H ATOM 1004 HB2 GLU A 70 -2.956 21.993 -37.162 1.00 0.00 H ATOM 1005 HB3 GLU A 70 -4.588 22.687 -37.024 1.00 0.00 H ATOM 1006 HG2 GLU A 70 -4.453 22.562 -34.596 1.00 0.00 H ATOM 1007 HG3 GLU A 70 -2.839 21.824 -34.713 1.00 0.00 H ATOM 1008 H GLU A 70 -3.744 19.183 -35.039 1.00 0.00 H ATOM 1009 N GLN A 71 -4.647 19.007 -38.310 1.00 78.82 N ATOM 1010 CA GLN A 71 -5.167 18.434 -39.562 1.00 79.71 C ATOM 1011 C GLN A 71 -6.438 17.587 -39.410 1.00 77.35 C ATOM 1012 O GLN A 71 -6.717 16.744 -40.254 1.00 77.35 O ATOM 1013 CB GLN A 71 -4.082 17.606 -40.247 1.00 80.43 C ATOM 1014 CG GLN A 71 -3.041 18.435 -40.981 1.00 85.30 C ATOM 1015 CD GLN A 71 -1.967 17.574 -41.632 1.00 87.24 C ATOM 1016 OE1 GLN A 71 -2.258 16.640 -42.399 1.00 87.84 O ATOM 1017 NE2 GLN A 71 -0.715 17.887 -41.332 1.00 87.99 N ATOM 1018 HA GLN A 71 -5.454 19.291 -40.171 1.00 0.00 H ATOM 1019 HB2 GLN A 71 -3.574 17.012 -39.488 1.00 0.00 H ATOM 1020 HB3 GLN A 71 -4.561 16.942 -40.966 1.00 0.00 H ATOM 1021 HG2 GLN A 71 -3.540 19.018 -41.755 1.00 0.00 H ATOM 1022 HG3 GLN A 71 -2.565 19.110 -40.269 1.00 0.00 H ATOM 1023 HE22 GLN A 71 -0.517 18.677 -40.685 1.00 0.00 H ATOM 1024 HE21 GLN A 71 0.070 17.343 -41.743 1.00 0.00 H ATOM 1025 H GLN A 71 -3.934 18.469 -37.777 1.00 0.00 H ATOM 1026 N GLY A 72 -7.192 17.799 -38.332 1.00 75.38 N ATOM 1027 CA GLY A 72 -8.510 17.171 -38.169 1.00 74.53 C ATOM 1028 C GLY A 72 -8.584 15.669 -37.898 1.00 72.16 C ATOM 1029 O GLY A 72 -9.609 15.040 -38.176 1.00 72.45 O ATOM 1030 HA3 GLY A 72 -9.070 17.359 -39.085 1.00 0.00 H ATOM 1031 HA2 GLY A 72 -9.002 17.671 -37.335 1.00 0.00 H ATOM 1032 H GLY A 72 -6.837 18.428 -37.584 1.00 0.00 H ATOM 1033 N GLU A 73 -7.525 15.094 -37.324 1.00 69.69 N ATOM 1034 CA GLU A 73 -7.477 13.648 -37.078 1.00 67.29 C ATOM 1035 C GLU A 73 -8.072 13.229 -35.741 1.00 64.98 C ATOM 1036 O GLU A 73 -8.634 12.145 -35.612 1.00 64.59 O ATOM 1037 CB GLU A 73 -6.045 13.153 -37.170 1.00 66.79 C ATOM 1038 CG GLU A 73 -5.534 13.089 -38.589 1.00 68.84 C ATOM 1039 CD GLU A 73 -4.058 12.848 -38.651 1.00 68.88 C ATOM 1040 OE1 GLU A 73 -3.461 12.579 -37.593 1.00 68.76 O ATOM 1041 OE2 GLU A 73 -3.487 12.930 -39.752 1.00 71.19 O ATOM 1042 HA GLU A 73 -8.095 13.191 -37.851 1.00 0.00 H ATOM 1043 HB2 GLU A 73 -5.406 13.828 -36.600 1.00 0.00 H ATOM 1044 HB3 GLU A 73 -5.994 12.154 -36.736 1.00 0.00 H ATOM 1045 HG2 GLU A 73 -6.044 12.278 -39.109 1.00 0.00 H ATOM 1046 HG3 GLU A 73 -5.756 14.034 -39.085 1.00 0.00 H ATOM 1047 H GLU A 73 -6.715 15.684 -37.045 1.00 0.00 H ATOM 1048 N VAL A 74 -7.940 14.108 -34.754 1.00 63.91 N ATOM 1049 CA VAL A 74 -8.361 13.872 -33.381 1.00 61.46 C ATOM 1050 C VAL A 74 -9.495 14.827 -33.011 1.00 62.29 C ATOM 1051 O VAL A 74 -10.047 15.499 -33.880 1.00 64.61 O ATOM 1052 CB VAL A 74 -7.171 14.092 -32.446 1.00 60.38 C ATOM 1053 CG1 VAL A 74 -6.143 12.982 -32.649 1.00 59.84 C ATOM 1054 CG2 VAL A 74 -6.530 15.471 -32.698 1.00 60.88 C ATOM 1055 HA VAL A 74 -8.719 12.847 -33.282 1.00 0.00 H ATOM 1056 HB VAL A 74 -7.524 14.065 -31.415 1.00 0.00 H ATOM 1057 HG11 VAL A 74 -6.602 12.018 -32.429 1.00 0.00 H ATOM 1058 HG12 VAL A 74 -5.797 12.993 -33.683 1.00 0.00 H ATOM 1059 HG13 VAL A 74 -5.298 13.144 -31.980 1.00 0.00 H ATOM 1060 HG21 VAL A 74 -6.184 15.526 -33.730 1.00 0.00 H ATOM 1061 HG22 VAL A 74 -7.269 16.252 -32.519 1.00 0.00 H ATOM 1062 HG23 VAL A 74 -5.686 15.607 -32.022 1.00 0.00 H ATOM 1063 H VAL A 74 -7.507 15.027 -34.977 1.00 0.00 H ATOM 1064 N ILE A 75 -9.838 14.900 -31.729 1.00 60.97 N ATOM 1065 CA ILE A 75 -10.868 15.830 -31.265 1.00 61.59 C ATOM 1066 C ILE A 75 -10.355 17.265 -31.281 1.00 62.89 C ATOM 1067 O ILE A 75 -9.155 17.503 -31.120 1.00 62.11 O ATOM 1068 CB ILE A 75 -11.389 15.445 -29.874 1.00 60.73 C ATOM 1069 CG1 ILE A 75 -10.261 15.444 -28.851 1.00 57.87 C ATOM 1070 CG2 ILE A 75 -12.093 14.078 -29.929 1.00 60.34 C ATOM 1071 CD1 ILE A 75 -10.717 15.089 -27.481 1.00 58.29 C ATOM 1072 HA ILE A 75 -11.707 15.764 -31.958 1.00 0.00 H ATOM 1073 HB ILE A 75 -12.117 16.192 -29.558 1.00 0.00 H ATOM 1074 HG12 ILE A 75 -9.508 14.721 -29.165 1.00 0.00 H ATOM 1075 HG13 ILE A 75 -9.817 16.439 -28.822 1.00 0.00 H ATOM 1076 HD11 ILE A 75 -11.464 15.811 -27.150 1.00 0.00 H ATOM 1077 HD12 ILE A 75 -11.154 14.091 -27.492 1.00 0.00 H ATOM 1078 HD13 ILE A 75 -9.866 15.106 -26.800 1.00 0.00 H ATOM 1079 HG21 ILE A 75 -12.932 14.131 -30.623 1.00 0.00 H ATOM 1080 HG22 ILE A 75 -11.387 13.320 -30.268 1.00 0.00 H ATOM 1081 HG23 ILE A 75 -12.457 13.818 -28.935 1.00 0.00 H ATOM 1082 H ILE A 75 -9.364 14.282 -31.040 1.00 0.00 H ATOM 1083 N LYS A 76 -11.254 18.223 -31.496 1.00 65.19 N ATOM 1084 CA LYS A 76 -10.820 19.624 -31.693 1.00 67.17 C ATOM 1085 C LYS A 76 -10.105 20.207 -30.462 1.00 65.87 C ATOM 1086 O LYS A 76 -9.064 20.870 -30.598 1.00 66.06 O ATOM 1087 CB LYS A 76 -11.972 20.507 -32.189 1.00 70.35 C ATOM 1088 CG LYS A 76 -12.421 20.138 -33.603 1.00 73.41 C ATOM 1089 CD LYS A 76 -13.469 21.106 -34.171 1.00 80.08 C ATOM 1090 CE LYS A 76 -14.894 20.569 -33.994 1.00 82.00 C ATOM 1091 NZ LYS A 76 -15.938 21.482 -34.551 1.00 86.94 N ATOM 1092 HA LYS A 76 -10.069 19.614 -32.483 1.00 0.00 H ATOM 1093 HB2 LYS A 76 -12.818 20.392 -31.511 1.00 0.00 H ATOM 1094 HB3 LYS A 76 -11.644 21.546 -32.186 1.00 0.00 H ATOM 1095 HG2 LYS A 76 -11.550 20.146 -34.258 1.00 0.00 H ATOM 1096 HG3 LYS A 76 -12.849 19.136 -33.582 1.00 0.00 H ATOM 1097 HD2 LYS A 76 -13.385 22.061 -33.653 1.00 0.00 H ATOM 1098 HD3 LYS A 76 -13.276 21.252 -35.234 1.00 0.00 H ATOM 1099 HE2 LYS A 76 -15.084 20.433 -32.929 1.00 0.00 H ATOM 1100 HE3 LYS A 76 -14.968 19.607 -34.501 1.00 0.00 H ATOM 1101 HZ1 LYS A 76 -15.885 22.402 -34.069 1.00 0.00 H ATOM 1102 HZ2 LYS A 76 -15.774 21.613 -35.570 1.00 0.00 H ATOM 1103 HZ3 LYS A 76 -16.878 21.064 -34.401 1.00 0.00 H ATOM 1104 H LYS A 76 -12.266 17.986 -31.526 1.00 0.00 H ATOM 1105 N GLY A 77 -10.655 19.926 -29.279 1.00 64.41 N ATOM 1106 CA GLY A 77 -9.957 20.146 -28.013 1.00 63.40 C ATOM 1107 C GLY A 77 -8.491 19.717 -28.015 1.00 61.99 C ATOM 1108 O GLY A 77 -7.632 20.465 -27.551 1.00 62.85 O ATOM 1109 HA3 GLY A 77 -10.475 19.584 -27.236 1.00 0.00 H ATOM 1110 HA2 GLY A 77 -10.000 21.210 -27.780 1.00 0.00 H ATOM 1111 H GLY A 77 -11.618 19.535 -29.257 1.00 0.00 H ATOM 1112 N TRP A 78 -8.199 18.529 -28.547 1.00 60.12 N ATOM 1113 CA TRP A 78 -6.825 18.045 -28.691 1.00 59.13 C ATOM 1114 C TRP A 78 -5.959 18.873 -29.652 1.00 61.05 C ATOM 1115 O TRP A 78 -4.810 19.197 -29.336 1.00 61.68 O ATOM 1116 CB TRP A 78 -6.833 16.588 -29.146 1.00 57.90 C ATOM 1117 CG TRP A 78 -6.853 15.579 -28.035 1.00 56.05 C ATOM 1118 CD1 TRP A 78 -7.331 15.757 -26.772 1.00 55.16 C ATOM 1119 CD2 TRP A 78 -6.394 14.218 -28.104 1.00 55.33 C ATOM 1120 NE1 TRP A 78 -7.187 14.604 -26.047 1.00 54.48 N ATOM 1121 CE2 TRP A 78 -6.618 13.640 -26.840 1.00 54.46 C ATOM 1122 CE3 TRP A 78 -5.805 13.431 -29.115 1.00 54.77 C ATOM 1123 CZ2 TRP A 78 -6.269 12.304 -26.552 1.00 52.84 C ATOM 1124 CZ3 TRP A 78 -5.473 12.102 -28.829 1.00 51.67 C ATOM 1125 CH2 TRP A 78 -5.702 11.561 -27.559 1.00 51.13 C ATOM 1126 HA TRP A 78 -6.371 18.146 -27.705 1.00 0.00 H ATOM 1127 HB2 TRP A 78 -7.718 16.430 -29.763 1.00 0.00 H ATOM 1128 HB3 TRP A 78 -5.939 16.415 -29.745 1.00 0.00 H ATOM 1129 HE1 TRP A 78 -7.465 14.479 -25.053 1.00 0.00 H ATOM 1130 HD1 TRP A 78 -7.765 16.682 -26.393 1.00 0.00 H ATOM 1131 HZ2 TRP A 78 -6.443 11.876 -25.565 1.00 0.00 H ATOM 1132 HH2 TRP A 78 -5.424 10.525 -27.364 1.00 0.00 H ATOM 1133 HZ3 TRP A 78 -5.030 11.480 -29.606 1.00 0.00 H ATOM 1134 HE3 TRP A 78 -5.612 13.851 -30.102 1.00 0.00 H ATOM 1135 H TRP A 78 -8.979 17.922 -28.872 1.00 0.00 H ATOM 1136 N ASP A 79 -6.497 19.206 -30.823 1.00 62.40 N ATOM 1137 CA ASP A 79 -5.784 20.053 -31.778 1.00 64.81 C ATOM 1138 C ASP A 79 -5.402 21.390 -31.153 1.00 66.65 C ATOM 1139 O ASP A 79 -4.230 21.782 -31.149 1.00 67.57 O ATOM 1140 CB ASP A 79 -6.648 20.324 -33.009 1.00 66.80 C ATOM 1141 CG ASP A 79 -6.526 19.254 -34.072 1.00 66.59 C ATOM 1142 OD1 ASP A 79 -5.415 18.701 -34.284 1.00 66.33 O ATOM 1143 OD2 ASP A 79 -7.563 18.986 -34.716 1.00 68.33 O ATOM 1144 HA ASP A 79 -4.880 19.518 -32.068 1.00 0.00 H ATOM 1145 HB2 ASP A 79 -7.690 20.383 -32.695 1.00 0.00 H ATOM 1146 HB3 ASP A 79 -6.346 21.278 -33.441 1.00 0.00 H ATOM 1147 H ASP A 79 -7.446 18.856 -31.064 1.00 0.00 H ATOM 1148 N ILE A 80 -6.411 22.085 -30.636 1.00 67.62 N ATOM 1149 CA ILE A 80 -6.210 23.354 -29.966 1.00 69.82 C ATOM 1150 C ILE A 80 -5.163 23.170 -28.885 1.00 69.04 C ATOM 1151 O ILE A 80 -4.060 23.702 -28.995 1.00 71.01 O ATOM 1152 CB ILE A 80 -7.520 23.893 -29.375 1.00 70.61 C ATOM 1153 CG1 ILE A 80 -8.490 24.265 -30.513 1.00 71.87 C ATOM 1154 CG2 ILE A 80 -7.230 25.106 -28.494 1.00 73.24 C ATOM 1155 CD1 ILE A 80 -9.952 24.310 -30.122 1.00 69.84 C ATOM 1156 HA ILE A 80 -5.866 24.091 -30.691 1.00 0.00 H ATOM 1157 HB ILE A 80 -7.986 23.123 -28.760 1.00 0.00 H ATOM 1158 HG12 ILE A 80 -8.210 25.250 -30.887 1.00 0.00 H ATOM 1159 HG13 ILE A 80 -8.376 23.529 -31.309 1.00 0.00 H ATOM 1160 HD11 ILE A 80 -10.260 23.330 -29.758 1.00 0.00 H ATOM 1161 HD12 ILE A 80 -10.094 25.052 -29.336 1.00 0.00 H ATOM 1162 HD13 ILE A 80 -10.551 24.581 -30.991 1.00 0.00 H ATOM 1163 HG21 ILE A 80 -6.562 24.814 -27.684 1.00 0.00 H ATOM 1164 HG22 ILE A 80 -6.757 25.884 -29.093 1.00 0.00 H ATOM 1165 HG23 ILE A 80 -8.164 25.483 -28.078 1.00 0.00 H ATOM 1166 H ILE A 80 -7.376 21.705 -30.715 1.00 0.00 H ATOM 1167 N CYS A 81 -5.488 22.368 -27.876 1.00 66.91 N ATOM 1168 CA CYS A 81 -4.566 22.085 -26.785 1.00 66.14 C ATOM 1169 C CYS A 81 -3.118 21.805 -27.197 1.00 66.22 C ATOM 1170 O CYS A 81 -2.197 22.456 -26.690 1.00 67.56 O ATOM 1171 CB CYS A 81 -5.082 20.940 -25.944 1.00 63.37 C ATOM 1172 SG CYS A 81 -4.112 20.734 -24.475 1.00 65.63 S ATOM 1173 HA CYS A 81 -4.530 23.011 -26.212 1.00 0.00 H ATOM 1174 HB2 CYS A 81 -5.040 20.022 -26.530 1.00 0.00 H ATOM 1175 HB3 CYS A 81 -6.115 21.143 -25.662 1.00 0.00 H ATOM 1176 HG CYS A 81 -4.615 19.682 -23.737 1.00 0.00 H ATOM 1177 H CYS A 81 -6.431 21.929 -27.865 1.00 0.00 H ATOM 1178 N VAL A 82 -2.918 20.860 -28.117 1.00 65.10 N ATOM 1179 CA VAL A 82 -1.558 20.420 -28.466 1.00 65.41 C ATOM 1180 C VAL A 82 -0.768 21.497 -29.234 1.00 68.94 C ATOM 1181 O VAL A 82 0.461 21.602 -29.089 1.00 70.43 O ATOM 1182 CB VAL A 82 -1.549 19.042 -29.191 1.00 63.55 C ATOM 1183 CG1 VAL A 82 -0.161 18.679 -29.695 1.00 63.72 C ATOM 1184 CG2 VAL A 82 -2.053 17.946 -28.258 1.00 60.98 C ATOM 1185 HA VAL A 82 -1.032 20.273 -27.523 1.00 0.00 H ATOM 1186 HB VAL A 82 -2.214 19.125 -30.051 1.00 0.00 H ATOM 1187 HG11 VAL A 82 0.179 19.439 -30.398 1.00 0.00 H ATOM 1188 HG12 VAL A 82 0.528 18.628 -28.852 1.00 0.00 H ATOM 1189 HG13 VAL A 82 -0.199 17.711 -30.194 1.00 0.00 H ATOM 1190 HG21 VAL A 82 -1.407 17.891 -27.382 1.00 0.00 H ATOM 1191 HG22 VAL A 82 -3.072 18.176 -27.946 1.00 0.00 H ATOM 1192 HG23 VAL A 82 -2.040 16.990 -28.782 1.00 0.00 H ATOM 1193 H VAL A 82 -3.735 20.428 -28.594 1.00 0.00 H ATOM 1194 N SER A 83 -1.466 22.317 -30.020 1.00 70.69 N ATOM 1195 CA SER A 83 -0.796 23.403 -30.751 1.00 74.05 C ATOM 1196 C SER A 83 -0.414 24.568 -29.849 1.00 76.21 C ATOM 1197 O SER A 83 -0.144 25.658 -30.337 1.00 79.96 O ATOM 1198 CB SER A 83 -1.644 23.899 -31.924 1.00 75.49 C ATOM 1199 OG SER A 83 -2.942 24.279 -31.513 1.00 74.74 O ATOM 1200 HA SER A 83 0.127 22.976 -31.144 1.00 0.00 H ATOM 1201 HB2 SER A 83 -1.727 23.101 -32.661 1.00 0.00 H ATOM 1202 HB3 SER A 83 -1.151 24.760 -32.376 1.00 0.00 H ATOM 1203 HG SER A 83 -3.399 23.501 -31.107 1.00 0.00 H ATOM 1204 H SER A 83 -2.493 22.188 -30.117 1.00 0.00 H ATOM 1205 N SER A 84 -0.394 24.329 -28.540 1.00 74.59 N ATOM 1206 CA SER A 84 -0.118 25.368 -27.558 1.00 76.49 C ATOM 1207 C SER A 84 0.894 24.879 -26.551 1.00 75.96 C ATOM 1208 O SER A 84 1.052 25.471 -25.486 1.00 77.28 O ATOM 1209 CB SER A 84 -1.390 25.729 -26.812 1.00 75.68 C ATOM 1210 OG SER A 84 -1.553 24.873 -25.696 1.00 72.97 O ATOM 1211 HA SER A 84 0.271 26.239 -28.085 1.00 0.00 H ATOM 1212 HB2 SER A 84 -2.245 25.620 -27.480 1.00 0.00 H ATOM 1213 HB3 SER A 84 -1.328 26.762 -26.470 1.00 0.00 H ATOM 1214 HG SER A 84 -1.611 23.935 -26.007 1.00 0.00 H ATOM 1215 H SER A 84 -0.583 23.363 -28.205 1.00 0.00 H ATOM 1216 N MET A 85 1.577 23.795 -26.884 1.00 74.64 N ATOM 1217 CA MET A 85 2.439 23.135 -25.921 1.00 74.15 C ATOM 1218 C MET A 85 3.903 23.163 -26.325 1.00 76.73 C ATOM 1219 O MET A 85 4.228 23.397 -27.482 1.00 78.32 O ATOM 1220 CB MET A 85 1.982 21.693 -25.727 1.00 70.60 C ATOM 1221 CG MET A 85 0.576 21.571 -25.181 1.00 68.63 C ATOM 1222 SD MET A 85 0.068 19.872 -24.877 1.00 65.18 S ATOM 1223 CE MET A 85 1.249 19.357 -23.639 1.00 64.28 C ATOM 1224 HA MET A 85 2.357 23.686 -24.984 1.00 0.00 H ATOM 1225 HB2 MET A 85 2.023 21.186 -26.691 1.00 0.00 H ATOM 1226 HB3 MET A 85 2.665 21.205 -25.032 1.00 0.00 H ATOM 1227 HG2 MET A 85 -0.113 22.014 -25.900 1.00 0.00 H ATOM 1228 HG3 MET A 85 0.522 22.121 -24.241 1.00 0.00 H ATOM 1229 HE1 MET A 85 2.257 19.438 -24.045 1.00 0.00 H ATOM 1230 HE2 MET A 85 1.156 19.997 -22.762 1.00 0.00 H ATOM 1231 HE3 MET A 85 1.051 18.323 -23.358 1.00 0.00 H ATOM 1232 H MET A 85 1.495 23.412 -27.847 1.00 0.00 H ATOM 1233 N ARG A 86 4.779 22.936 -25.353 1.00 77.66 N ATOM 1234 CA ARG A 86 6.189 22.693 -25.626 1.00 80.47 C ATOM 1235 C ARG A 86 6.515 21.209 -25.434 1.00 78.09 C ATOM 1236 O ARG A 86 5.856 20.520 -24.645 1.00 75.28 O ATOM 1237 CB ARG A 86 7.063 23.521 -24.682 1.00 84.13 C ATOM 1238 CG ARG A 86 6.915 25.041 -24.786 1.00 88.41 C ATOM 1239 CD ARG A 86 7.768 25.700 -23.711 1.00 93.12 C ATOM 1240 NE ARG A 86 8.031 27.110 -23.977 1.00 99.55 N ATOM 1241 CZ ARG A 86 9.000 27.563 -24.774 1.00104.30 C ATOM 1242 NH1 ARG A 86 9.796 26.716 -25.418 1.00104.51 N ATOM 1243 NH2 ARG A 86 9.166 28.869 -24.940 1.00108.61 N ATOM 1244 HA ARG A 86 6.393 22.982 -26.657 1.00 0.00 H ATOM 1245 HB2 ARG A 86 6.817 23.231 -23.660 1.00 0.00 H ATOM 1246 HB3 ARG A 86 8.104 23.273 -24.888 1.00 0.00 H ATOM 1247 HG2 ARG A 86 7.246 25.374 -25.770 1.00 0.00 H ATOM 1248 HG3 ARG A 86 5.870 25.317 -24.643 1.00 0.00 H ATOM 1249 HD2 ARG A 86 8.721 25.174 -23.652 1.00 0.00 H ATOM 1250 HD3 ARG A 86 7.249 25.617 -22.756 1.00 0.00 H ATOM 1251 HE ARG A 86 7.420 27.812 -23.512 1.00 0.00 H ATOM 1252 HH12 ARG A 86 10.549 27.079 -26.037 1.00 0.00 H ATOM 1253 HH11 ARG A 86 9.666 25.691 -25.303 1.00 0.00 H ATOM 1254 HH22 ARG A 86 9.921 29.222 -25.561 1.00 0.00 H ATOM 1255 HH21 ARG A 86 8.541 29.539 -24.449 1.00 0.00 H ATOM 1256 H ARG A 86 4.448 22.932 -24.367 1.00 0.00 H ATOM 1257 N LYS A 87 7.532 20.715 -26.137 1.00 79.45 N ATOM 1258 CA LYS A 87 8.031 19.365 -25.874 1.00 78.38 C ATOM 1259 C LYS A 87 8.242 19.182 -24.367 1.00 78.31 C ATOM 1260 O LYS A 87 8.763 20.085 -23.689 1.00 81.33 O ATOM 1261 CB LYS A 87 9.327 19.084 -26.651 1.00 81.45 C ATOM 1262 CG LYS A 87 9.925 17.681 -26.448 1.00 81.01 C ATOM 1263 CD LYS A 87 11.057 17.401 -27.443 1.00 85.68 C ATOM 1264 CE LYS A 87 11.826 16.105 -27.120 1.00 86.78 C ATOM 1265 NZ LYS A 87 12.944 15.846 -28.093 1.00 90.22 N ATOM 1266 HA LYS A 87 7.289 18.645 -26.220 1.00 0.00 H ATOM 1267 HB2 LYS A 87 9.117 19.210 -27.713 1.00 0.00 H ATOM 1268 HB3 LYS A 87 10.072 19.816 -26.340 1.00 0.00 H ATOM 1269 HG2 LYS A 87 10.318 17.607 -25.434 1.00 0.00 H ATOM 1270 HG3 LYS A 87 9.140 16.938 -26.587 1.00 0.00 H ATOM 1271 HD2 LYS A 87 10.630 17.314 -28.442 1.00 0.00 H ATOM 1272 HD3 LYS A 87 11.756 18.237 -27.420 1.00 0.00 H ATOM 1273 HE2 LYS A 87 11.130 15.267 -27.154 1.00 0.00 H ATOM 1274 HE3 LYS A 87 12.246 16.187 -26.117 1.00 0.00 H ATOM 1275 HZ1 LYS A 87 12.553 15.758 -29.053 1.00 0.00 H ATOM 1276 HZ2 LYS A 87 13.618 16.637 -28.063 1.00 0.00 H ATOM 1277 HZ3 LYS A 87 13.430 14.964 -27.834 1.00 0.00 H ATOM 1278 H LYS A 87 7.975 21.293 -26.879 1.00 0.00 H ATOM 1279 N ASN A 88 7.814 18.025 -23.854 1.00 75.23 N ATOM 1280 CA ASN A 88 7.957 17.657 -22.434 1.00 74.71 C ATOM 1281 C ASN A 88 7.069 18.454 -21.472 1.00 73.52 C ATOM 1282 O ASN A 88 7.237 18.351 -20.252 1.00 74.44 O ATOM 1283 CB ASN A 88 9.435 17.647 -21.979 1.00 78.35 C ATOM 1284 CG ASN A 88 10.198 16.433 -22.489 1.00 79.58 C ATOM 1285 OD1 ASN A 88 9.662 15.329 -22.533 1.00 79.25 O ATOM 1286 ND2 ASN A 88 11.453 16.631 -22.873 1.00 83.50 N ATOM 1287 HA ASN A 88 7.583 16.635 -22.378 1.00 0.00 H ATOM 1288 HB2 ASN A 88 9.922 18.548 -22.353 1.00 0.00 H ATOM 1289 HB3 ASN A 88 9.465 17.646 -20.889 1.00 0.00 H ATOM 1290 HD22 ASN A 88 11.869 17.583 -22.820 1.00 0.00 H ATOM 1291 HD21 ASN A 88 12.020 15.835 -23.227 1.00 0.00 H ATOM 1292 H ASN A 88 7.354 17.346 -24.493 1.00 0.00 H ATOM 1293 N GLU A 89 6.132 19.238 -22.021 1.00 71.80 N ATOM 1294 CA GLU A 89 5.057 19.847 -21.233 1.00 70.32 C ATOM 1295 C GLU A 89 4.043 18.779 -20.814 1.00 67.47 C ATOM 1296 O GLU A 89 3.725 17.873 -21.602 1.00 65.41 O ATOM 1297 CB GLU A 89 4.352 20.959 -22.012 1.00 70.19 C ATOM 1298 CG GLU A 89 3.319 21.720 -21.187 1.00 70.31 C ATOM 1299 CD GLU A 89 2.730 22.945 -21.894 1.00 73.04 C ATOM 1300 OE1 GLU A 89 3.484 23.920 -22.162 1.00 77.37 O ATOM 1301 OE2 GLU A 89 1.503 22.950 -22.154 1.00 70.30 O ATOM 1302 HA GLU A 89 5.505 20.291 -20.344 1.00 0.00 H ATOM 1303 HB2 GLU A 89 5.104 21.666 -22.361 1.00 0.00 H ATOM 1304 HB3 GLU A 89 3.848 20.514 -22.870 1.00 0.00 H ATOM 1305 HG2 GLU A 89 2.503 21.038 -20.947 1.00 0.00 H ATOM 1306 HG3 GLU A 89 3.795 22.053 -20.265 1.00 0.00 H ATOM 1307 H GLU A 89 6.169 19.421 -23.044 1.00 0.00 H ATOM 1308 N LYS A 90 3.576 18.867 -19.562 1.00 67.63 N ATOM 1309 CA LYS A 90 2.412 18.105 -19.080 1.00 65.28 C ATOM 1310 C LYS A 90 1.337 19.116 -18.764 1.00 65.34 C ATOM 1311 O LYS A 90 1.577 20.089 -18.042 1.00 67.64 O ATOM 1312 CB LYS A 90 2.690 17.341 -17.776 1.00 66.21 C ATOM 1313 CG LYS A 90 3.682 16.191 -17.802 1.00 66.97 C ATOM 1314 CD LYS A 90 3.622 15.448 -16.464 1.00 67.41 C ATOM 1315 CE LYS A 90 4.915 14.727 -16.175 1.00 69.39 C ATOM 1316 NZ LYS A 90 4.618 13.407 -15.589 1.00 69.37 N ATOM 1317 HA LYS A 90 2.140 17.380 -19.847 1.00 0.00 H ATOM 1318 HB2 LYS A 90 3.058 18.067 -17.051 1.00 0.00 H ATOM 1319 HB3 LYS A 90 1.738 16.936 -17.432 1.00 0.00 H ATOM 1320 HG2 LYS A 90 3.427 15.507 -18.612 1.00 0.00 H ATOM 1321 HG3 LYS A 90 4.688 16.580 -17.959 1.00 0.00 H ATOM 1322 HD2 LYS A 90 3.431 16.167 -15.667 1.00 0.00 H ATOM 1323 HD3 LYS A 90 2.810 14.721 -16.498 1.00 0.00 H ATOM 1324 HE2 LYS A 90 5.509 15.312 -15.473 1.00 0.00 H ATOM 1325 HE3 LYS A 90 5.474 14.597 -17.101 1.00 0.00 H ATOM 1326 HZ1 LYS A 90 4.085 13.533 -14.705 1.00 0.00 H ATOM 1327 HZ2 LYS A 90 4.051 12.850 -16.261 1.00 0.00 H ATOM 1328 HZ3 LYS A 90 5.509 12.909 -15.389 1.00 0.00 H ATOM 1329 H LYS A 90 4.059 19.505 -18.898 1.00 0.00 H ATOM 1330 N CYS A 91 0.141 18.885 -19.273 1.00 63.45 N ATOM 1331 CA CYS A 91 -0.967 19.762 -18.953 1.00 64.06 C ATOM 1332 C CYS A 91 -2.211 18.988 -18.551 1.00 62.24 C ATOM 1333 O CYS A 91 -2.311 17.775 -18.730 1.00 60.39 O ATOM 1334 CB CYS A 91 -1.281 20.683 -20.129 1.00 64.31 C ATOM 1335 SG CYS A 91 -1.965 19.816 -21.554 1.00 63.11 S ATOM 1336 HA CYS A 91 -0.661 20.364 -18.097 1.00 0.00 H ATOM 1337 HB2 CYS A 91 -0.360 21.179 -20.435 1.00 0.00 H ATOM 1338 HB3 CYS A 91 -2.003 21.431 -19.800 1.00 0.00 H ATOM 1339 HG CYS A 91 -1.059 18.873 -21.995 1.00 0.00 H ATOM 1340 H CYS A 91 -0.006 18.072 -19.905 1.00 0.00 H ATOM 1341 N LEU A 92 -3.147 19.719 -17.982 1.00 63.18 N ATOM 1342 CA LEU A 92 -4.469 19.220 -17.763 1.00 62.55 C ATOM 1343 C LEU A 92 -5.286 20.017 -18.752 1.00 62.63 C ATOM 1344 O LEU A 92 -5.121 21.232 -18.868 1.00 64.43 O ATOM 1345 CB LEU A 92 -4.907 19.544 -16.338 1.00 64.64 C ATOM 1346 CG LEU A 92 -5.317 18.436 -15.370 1.00 65.04 C ATOM 1347 CD1 LEU A 92 -4.320 17.291 -15.397 1.00 63.67 C ATOM 1348 CD2 LEU A 92 -5.464 19.007 -13.936 1.00 68.19 C ATOM 1349 HA LEU A 92 -4.565 18.141 -17.888 1.00 0.00 H ATOM 1350 HB2 LEU A 92 -4.076 20.072 -15.871 1.00 0.00 H ATOM 1351 HB3 LEU A 92 -5.762 20.215 -16.421 1.00 0.00 H ATOM 1352 HG LEU A 92 -6.282 18.041 -15.688 1.00 0.00 H ATOM 1353 HD21 LEU A 92 -4.512 19.429 -13.615 1.00 0.00 H ATOM 1354 HD22 LEU A 92 -6.227 19.786 -13.933 1.00 0.00 H ATOM 1355 HD23 LEU A 92 -5.757 18.207 -13.256 1.00 0.00 H ATOM 1356 HD11 LEU A 92 -4.273 16.876 -16.404 1.00 0.00 H ATOM 1357 HD12 LEU A 92 -3.336 17.661 -15.108 1.00 0.00 H ATOM 1358 HD13 LEU A 92 -4.638 16.517 -14.698 1.00 0.00 H ATOM 1359 H LEU A 92 -2.918 20.688 -17.683 1.00 0.00 H ATOM 1360 N VAL A 93 -6.148 19.349 -19.496 1.00 61.06 N ATOM 1361 CA VAL A 93 -7.046 20.094 -20.337 1.00 61.46 C ATOM 1362 C VAL A 93 -8.481 19.683 -20.074 1.00 61.54 C ATOM 1363 O VAL A 93 -8.822 18.501 -20.114 1.00 59.88 O ATOM 1364 CB VAL A 93 -6.659 20.018 -21.816 1.00 60.64 C ATOM 1365 CG1 VAL A 93 -6.868 18.633 -22.380 1.00 58.23 C ATOM 1366 CG2 VAL A 93 -7.456 21.021 -22.584 1.00 63.00 C ATOM 1367 HA VAL A 93 -6.959 21.149 -20.075 1.00 0.00 H ATOM 1368 HB VAL A 93 -5.596 20.243 -21.906 1.00 0.00 H ATOM 1369 HG11 VAL A 93 -6.254 17.921 -21.828 1.00 0.00 H ATOM 1370 HG12 VAL A 93 -7.919 18.359 -22.286 1.00 0.00 H ATOM 1371 HG13 VAL A 93 -6.581 18.623 -23.432 1.00 0.00 H ATOM 1372 HG21 VAL A 93 -8.518 20.803 -22.471 1.00 0.00 H ATOM 1373 HG22 VAL A 93 -7.246 22.020 -22.201 1.00 0.00 H ATOM 1374 HG23 VAL A 93 -7.183 20.970 -23.638 1.00 0.00 H ATOM 1375 H VAL A 93 -6.177 18.310 -19.475 1.00 0.00 H ATOM 1376 N ARG A 94 -9.300 20.677 -19.742 1.00 63.67 N ATOM 1377 CA ARG A 94 -10.734 20.487 -19.632 1.00 64.15 C ATOM 1378 C ARG A 94 -11.323 20.808 -20.991 1.00 64.29 C ATOM 1379 O ARG A 94 -11.280 21.952 -21.443 1.00 65.83 O ATOM 1380 CB ARG A 94 -11.327 21.390 -18.557 1.00 66.60 C ATOM 1381 CG ARG A 94 -12.738 21.001 -18.150 1.00 67.52 C ATOM 1382 CD ARG A 94 -13.299 21.973 -17.118 1.00 72.28 C ATOM 1383 NE ARG A 94 -14.766 21.992 -17.112 1.00 75.20 N ATOM 1384 CZ ARG A 94 -15.532 22.681 -17.965 1.00 76.38 C ATOM 1385 NH1 ARG A 94 -14.994 23.432 -18.933 1.00 74.96 N ATOM 1386 NH2 ARG A 94 -16.852 22.606 -17.855 1.00 78.35 N ATOM 1387 HA ARG A 94 -10.965 19.463 -19.339 1.00 0.00 H ATOM 1388 HB2 ARG A 94 -10.688 21.343 -17.675 1.00 0.00 H ATOM 1389 HB3 ARG A 94 -11.346 22.412 -18.936 1.00 0.00 H ATOM 1390 HG2 ARG A 94 -13.378 21.009 -19.032 1.00 0.00 H ATOM 1391 HG3 ARG A 94 -12.722 19.998 -17.723 1.00 0.00 H ATOM 1392 HD2 ARG A 94 -12.936 22.975 -17.346 1.00 0.00 H ATOM 1393 HD3 ARG A 94 -12.948 21.677 -16.130 1.00 0.00 H ATOM 1394 HE ARG A 94 -15.249 21.424 -16.387 1.00 0.00 H ATOM 1395 HH12 ARG A 94 -15.609 23.959 -19.585 1.00 0.00 H ATOM 1396 HH11 ARG A 94 -13.960 23.489 -19.034 1.00 0.00 H ATOM 1397 HH22 ARG A 94 -17.459 23.137 -18.512 1.00 0.00 H ATOM 1398 HH21 ARG A 94 -17.279 22.017 -17.112 1.00 0.00 H ATOM 1399 H ARG A 94 -8.900 21.619 -19.556 1.00 0.00 H ATOM 1400 N ILE A 95 -11.839 19.784 -21.658 1.00 62.86 N ATOM 1401 CA ILE A 95 -12.395 19.966 -22.987 1.00 63.15 C ATOM 1402 C ILE A 95 -13.894 19.791 -22.943 1.00 65.10 C ATOM 1403 O ILE A 95 -14.398 18.720 -22.591 1.00 64.68 O ATOM 1404 CB ILE A 95 -11.789 19.006 -24.006 1.00 60.75 C ATOM 1405 CG1 ILE A 95 -10.304 19.313 -24.178 1.00 59.37 C ATOM 1406 CG2 ILE A 95 -12.514 19.148 -25.328 1.00 61.51 C ATOM 1407 CD1 ILE A 95 -9.525 18.243 -24.861 1.00 58.10 C ATOM 1408 HA ILE A 95 -12.148 20.978 -23.308 1.00 0.00 H ATOM 1409 HB ILE A 95 -11.897 17.980 -23.653 1.00 0.00 H ATOM 1410 HG12 ILE A 95 -10.211 20.228 -24.763 1.00 0.00 H ATOM 1411 HG13 ILE A 95 -9.872 19.470 -23.190 1.00 0.00 H ATOM 1412 HD11 ILE A 95 -9.593 17.321 -24.284 1.00 0.00 H ATOM 1413 HD12 ILE A 95 -9.932 18.079 -25.859 1.00 0.00 H ATOM 1414 HD13 ILE A 95 -8.482 18.548 -24.939 1.00 0.00 H ATOM 1415 HG21 ILE A 95 -13.569 18.913 -25.189 1.00 0.00 H ATOM 1416 HG22 ILE A 95 -12.413 20.172 -25.688 1.00 0.00 H ATOM 1417 HG23 ILE A 95 -12.080 18.461 -26.055 1.00 0.00 H ATOM 1418 H ILE A 95 -11.845 18.839 -21.224 1.00 0.00 H ATOM 1419 N GLU A 96 -14.606 20.855 -23.295 1.00 67.73 N ATOM 1420 CA GLU A 96 -16.056 20.809 -23.316 1.00 70.20 C ATOM 1421 C GLU A 96 -16.634 20.061 -24.530 1.00 70.03 C ATOM 1422 O GLU A 96 -16.146 20.209 -25.665 1.00 69.23 O ATOM 1423 CB GLU A 96 -16.619 22.218 -23.205 1.00 73.80 C ATOM 1424 CG GLU A 96 -16.847 22.668 -21.771 1.00 75.88 C ATOM 1425 CD GLU A 96 -17.206 24.135 -21.668 1.00 79.97 C ATOM 1426 OE1 GLU A 96 -16.903 24.909 -22.605 1.00 80.02 O ATOM 1427 OE2 GLU A 96 -17.794 24.517 -20.638 1.00 84.11 O ATOM 1428 HA GLU A 96 -16.369 20.226 -22.450 1.00 0.00 H ATOM 1429 HB2 GLU A 96 -15.919 22.908 -23.676 1.00 0.00 H ATOM 1430 HB3 GLU A 96 -17.572 22.252 -23.733 1.00 0.00 H ATOM 1431 HG2 GLU A 96 -17.660 22.079 -21.346 1.00 0.00 H ATOM 1432 HG3 GLU A 96 -15.935 22.491 -21.201 1.00 0.00 H ATOM 1433 H GLU A 96 -14.117 21.734 -23.559 1.00 0.00 H ATOM 1434 N SER A 97 -17.692 19.289 -24.270 1.00 71.04 N ATOM 1435 CA SER A 97 -18.341 18.417 -25.259 1.00 71.84 C ATOM 1436 C SER A 97 -18.330 18.904 -26.723 1.00 73.02 C ATOM 1437 O SER A 97 -18.104 18.118 -27.645 1.00 72.32 O ATOM 1438 CB SER A 97 -19.755 18.054 -24.808 1.00 74.28 C ATOM 1439 OG SER A 97 -20.642 19.137 -25.007 1.00 78.97 O ATOM 1440 HA SER A 97 -17.710 17.528 -25.285 1.00 0.00 H ATOM 1441 HB2 SER A 97 -19.737 17.797 -23.749 1.00 0.00 H ATOM 1442 HB3 SER A 97 -20.104 17.196 -25.383 1.00 0.00 H ATOM 1443 HG SER A 97 -21.550 18.878 -24.708 1.00 0.00 H ATOM 1444 H SER A 97 -18.082 19.306 -23.306 1.00 0.00 H ATOM 1445 N MET A 98 -18.544 20.195 -26.931 1.00 75.75 N ATOM 1446 CA MET A 98 -18.459 20.791 -28.260 1.00 77.45 C ATOM 1447 C MET A 98 -17.121 20.509 -28.940 1.00 74.31 C ATOM 1448 O MET A 98 -17.089 20.213 -30.138 1.00 74.30 O ATOM 1449 CB MET A 98 -18.688 22.306 -28.177 1.00 81.19 C ATOM 1450 CG MET A 98 -19.018 22.954 -29.506 1.00 85.62 C ATOM 1451 SD MET A 98 -19.354 24.726 -29.371 1.00 95.15 S ATOM 1452 CE MET A 98 -17.699 25.439 -29.485 1.00 92.15 C ATOM 1453 HA MET A 98 -19.239 20.331 -28.866 1.00 0.00 H ATOM 1454 HB2 MET A 98 -19.515 22.491 -27.491 1.00 0.00 H ATOM 1455 HB3 MET A 98 -17.782 22.769 -27.785 1.00 0.00 H ATOM 1456 HG2 MET A 98 -19.899 22.465 -29.921 1.00 0.00 H ATOM 1457 HG3 MET A 98 -18.174 22.812 -30.180 1.00 0.00 H ATOM 1458 HE1 MET A 98 -17.084 25.059 -28.669 1.00 0.00 H ATOM 1459 HE2 MET A 98 -17.250 25.162 -30.439 1.00 0.00 H ATOM 1460 HE3 MET A 98 -17.767 26.525 -29.415 1.00 0.00 H ATOM 1461 H MET A 98 -18.780 20.803 -26.121 1.00 0.00 H ATOM 1462 N TYR A 99 -16.028 20.619 -28.179 1.00 71.76 N ATOM 1463 CA TYR A 99 -14.679 20.358 -28.698 1.00 69.26 C ATOM 1464 C TYR A 99 -14.292 18.895 -28.508 1.00 65.92 C ATOM 1465 O TYR A 99 -13.170 18.482 -28.806 1.00 63.63 O ATOM 1466 CB TYR A 99 -13.649 21.260 -28.019 1.00 69.25 C ATOM 1467 CG TYR A 99 -13.846 22.729 -28.291 1.00 73.14 C ATOM 1468 CD1 TYR A 99 -13.349 23.317 -29.454 1.00 75.09 C ATOM 1469 CD2 TYR A 99 -14.527 23.532 -27.382 1.00 76.34 C ATOM 1470 CE1 TYR A 99 -13.535 24.679 -29.708 1.00 79.66 C ATOM 1471 CE2 TYR A 99 -14.719 24.890 -27.618 1.00 80.59 C ATOM 1472 CZ TYR A 99 -14.222 25.461 -28.779 1.00 82.07 C ATOM 1473 OH TYR A 99 -14.417 26.805 -28.998 1.00 85.48 O ATOM 1474 HA TYR A 99 -14.690 20.579 -29.765 1.00 0.00 H ATOM 1475 HB3 TYR A 99 -12.658 20.976 -28.373 1.00 0.00 H ATOM 1476 HB2 TYR A 99 -13.709 21.099 -26.943 1.00 0.00 H ATOM 1477 HD2 TYR A 99 -14.918 23.089 -26.466 1.00 0.00 H ATOM 1478 HE2 TYR A 99 -15.257 25.501 -26.894 1.00 0.00 H ATOM 1479 HE1 TYR A 99 -13.147 25.126 -30.623 1.00 0.00 H ATOM 1480 HD1 TYR A 99 -12.807 22.705 -30.176 1.00 0.00 H ATOM 1481 HH TYR A 99 -14.007 27.060 -29.862 1.00 0.00 H ATOM 1482 H TYR A 99 -16.136 20.900 -27.183 1.00 0.00 H ATOM 1483 N GLY A 100 -15.244 18.126 -28.002 1.00 65.68 N ATOM 1484 CA GLY A 100 -15.049 16.724 -27.766 1.00 63.71 C ATOM 1485 C GLY A 100 -15.923 15.965 -28.722 1.00 64.91 C ATOM 1486 O GLY A 100 -15.780 16.119 -29.938 1.00 65.76 O ATOM 1487 HA3 GLY A 100 -15.324 16.480 -26.740 1.00 0.00 H ATOM 1488 HA2 GLY A 100 -14.004 16.463 -27.933 1.00 0.00 H ATOM 1489 H GLY A 100 -16.163 18.552 -27.768 1.00 0.00 H ATOM 1490 N TYR A 101 -16.834 15.166 -28.168 1.00 65.58 N ATOM 1491 CA TYR A 101 -17.660 14.240 -28.942 1.00 67.12 C ATOM 1492 C TYR A 101 -19.107 14.715 -29.143 1.00 71.35 C ATOM 1493 O TYR A 101 -19.925 14.035 -29.772 1.00 73.05 O ATOM 1494 CB TYR A 101 -17.581 12.836 -28.328 1.00 65.58 C ATOM 1495 CG TYR A 101 -16.231 12.209 -28.592 1.00 62.63 C ATOM 1496 CD1 TYR A 101 -15.900 11.755 -29.874 1.00 61.68 C ATOM 1497 CD2 TYR A 101 -15.264 12.111 -27.588 1.00 59.07 C ATOM 1498 CE1 TYR A 101 -14.661 11.213 -30.154 1.00 58.33 C ATOM 1499 CE2 TYR A 101 -14.013 11.561 -27.862 1.00 56.48 C ATOM 1500 CZ TYR A 101 -13.729 11.117 -29.151 1.00 56.68 C ATOM 1501 OH TYR A 101 -12.511 10.571 -29.462 1.00 56.06 O ATOM 1502 HA TYR A 101 -17.249 14.205 -29.951 1.00 0.00 H ATOM 1503 HB3 TYR A 101 -18.358 12.210 -28.767 1.00 0.00 H ATOM 1504 HB2 TYR A 101 -17.738 12.907 -27.252 1.00 0.00 H ATOM 1505 HD2 TYR A 101 -15.490 12.467 -26.583 1.00 0.00 H ATOM 1506 HE2 TYR A 101 -13.264 11.479 -27.075 1.00 0.00 H ATOM 1507 HE1 TYR A 101 -14.426 10.865 -31.160 1.00 0.00 H ATOM 1508 HD1 TYR A 101 -16.639 11.831 -30.672 1.00 0.00 H ATOM 1509 HH TYR A 101 -12.359 9.767 -28.904 1.00 0.00 H ATOM 1510 H TYR A 101 -16.964 15.203 -27.137 1.00 0.00 H ATOM 1511 N GLY A 102 -19.407 15.888 -28.600 1.00 73.51 N ATOM 1512 CA GLY A 102 -20.670 16.555 -28.849 1.00 78.30 C ATOM 1513 C GLY A 102 -21.867 15.830 -28.293 1.00 81.17 C ATOM 1514 O GLY A 102 -21.758 15.065 -27.332 1.00 79.93 O ATOM 1515 HA3 GLY A 102 -20.799 16.653 -29.927 1.00 0.00 H ATOM 1516 HA2 GLY A 102 -20.629 17.546 -28.397 1.00 0.00 H ATOM 1517 H GLY A 102 -18.713 16.344 -27.975 1.00 0.00 H ATOM 1518 N ASP A 103 -23.008 16.075 -28.926 1.00 85.70 N ATOM 1519 CA ASP A 103 -24.290 15.552 -28.475 1.00 89.90 C ATOM 1520 C ASP A 103 -24.397 14.043 -28.631 1.00 89.61 C ATOM 1521 O ASP A 103 -25.133 13.399 -27.887 1.00 91.72 O ATOM 1522 CB ASP A 103 -25.435 16.270 -29.195 1.00 94.45 C ATOM 1523 CG ASP A 103 -25.596 17.717 -28.733 1.00 97.38 C ATOM 1524 OD1 ASP A 103 -25.088 18.056 -27.643 1.00 96.51 O ATOM 1525 OD2 ASP A 103 -26.235 18.527 -29.445 1.00102.77 O ATOM 1526 HA ASP A 103 -24.365 15.751 -27.406 1.00 0.00 H ATOM 1527 HB2 ASP A 103 -25.234 16.264 -30.266 1.00 0.00 H ATOM 1528 HB3 ASP A 103 -26.363 15.734 -28.998 1.00 0.00 H ATOM 1529 H ASP A 103 -22.985 16.666 -29.781 1.00 0.00 H ATOM 1530 N GLU A 104 -23.655 13.492 -29.590 1.00 87.72 N ATOM 1531 CA GLU A 104 -23.636 12.047 -29.838 1.00 87.58 C ATOM 1532 C GLU A 104 -22.846 11.287 -28.768 1.00 84.32 C ATOM 1533 O GLU A 104 -23.268 10.226 -28.297 1.00 85.27 O ATOM 1534 CB GLU A 104 -23.041 11.727 -31.224 1.00 86.96 C ATOM 1535 CG GLU A 104 -23.854 12.221 -32.429 1.00 91.66 C ATOM 1536 CD GLU A 104 -23.550 13.673 -32.831 1.00 93.51 C ATOM 1537 OE1 GLU A 104 -22.654 14.329 -32.234 1.00 89.18 O ATOM 1538 OE2 GLU A 104 -24.228 14.158 -33.766 1.00 98.67 O ATOM 1539 HA GLU A 104 -24.674 11.718 -29.801 1.00 0.00 H ATOM 1540 HB2 GLU A 104 -22.052 12.183 -31.277 1.00 0.00 H ATOM 1541 HB3 GLU A 104 -22.945 10.644 -31.306 1.00 0.00 H ATOM 1542 HG2 GLU A 104 -23.634 11.576 -33.280 1.00 0.00 H ATOM 1543 HG3 GLU A 104 -24.913 12.147 -32.183 1.00 0.00 H ATOM 1544 H GLU A 104 -23.067 14.110 -30.185 1.00 0.00 H ATOM 1545 N GLY A 105 -21.692 11.826 -28.393 1.00 80.71 N ATOM 1546 CA GLY A 105 -20.780 11.093 -27.529 1.00 77.55 C ATOM 1547 C GLY A 105 -20.024 10.094 -28.380 1.00 75.49 C ATOM 1548 O GLY A 105 -19.947 10.242 -29.605 1.00 75.84 O ATOM 1549 HA3 GLY A 105 -21.343 10.569 -26.757 1.00 0.00 H ATOM 1550 HA2 GLY A 105 -20.079 11.784 -27.060 1.00 0.00 H ATOM 1551 H GLY A 105 -21.438 12.780 -28.720 1.00 0.00 H ATOM 1552 N CYS A 106 -19.465 9.074 -27.742 1.00 73.59 N ATOM 1553 CA CYS A 106 -18.709 8.071 -28.465 1.00 71.75 C ATOM 1554 C CYS A 106 -18.847 6.736 -27.768 1.00 72.58 C ATOM 1555 O CYS A 106 -18.086 6.430 -26.850 1.00 70.86 O ATOM 1556 CB CYS A 106 -17.232 8.491 -28.594 1.00 68.61 C ATOM 1557 SG CYS A 106 -16.151 7.355 -29.553 1.00 65.57 S ATOM 1558 HA CYS A 106 -19.107 7.977 -29.475 1.00 0.00 H ATOM 1559 HB2 CYS A 106 -16.820 8.574 -27.588 1.00 0.00 H ATOM 1560 HB3 CYS A 106 -17.204 9.467 -29.079 1.00 0.00 H ATOM 1561 HG CYS A 106 -14.867 7.860 -29.582 1.00 0.00 H ATOM 1562 H CYS A 106 -19.571 8.993 -26.711 1.00 0.00 H ATOM 1563 N GLY A 107 -19.833 5.954 -28.206 1.00 75.66 N ATOM 1564 CA GLY A 107 -20.072 4.612 -27.672 1.00 77.52 C ATOM 1565 C GLY A 107 -20.340 4.605 -26.178 1.00 78.83 C ATOM 1566 O GLY A 107 -20.818 5.601 -25.610 1.00 78.80 O ATOM 1567 HA3 GLY A 107 -19.194 3.998 -27.870 1.00 0.00 H ATOM 1568 HA2 GLY A 107 -20.935 4.184 -28.182 1.00 0.00 H ATOM 1569 H GLY A 107 -20.458 6.311 -28.957 1.00 0.00 H ATOM 1570 N GLU A 108 -20.006 3.487 -25.535 1.00 79.80 N ATOM 1571 CA GLU A 108 -20.341 3.286 -24.121 1.00 82.10 C ATOM 1572 C GLU A 108 -19.554 4.201 -23.174 1.00 79.42 C ATOM 1573 O GLU A 108 -20.162 4.965 -22.418 1.00 80.81 O ATOM 1574 CB GLU A 108 -20.208 1.809 -23.718 1.00 84.09 C ATOM 1575 CG GLU A 108 -20.924 0.822 -24.668 1.00 89.32 C ATOM 1576 CD GLU A 108 -22.455 0.987 -24.717 1.00 95.68 C ATOM 1577 OE1 GLU A 108 -23.089 1.096 -23.640 1.00 98.98 O ATOM 1578 OE2 GLU A 108 -23.026 0.989 -25.837 1.00 97.57 O ATOM 1579 HA GLU A 108 -21.387 3.574 -24.014 1.00 0.00 H ATOM 1580 HB2 GLU A 108 -19.148 1.555 -23.697 1.00 0.00 H ATOM 1581 HB3 GLU A 108 -20.629 1.688 -22.720 1.00 0.00 H ATOM 1582 HG2 GLU A 108 -20.532 0.971 -25.674 1.00 0.00 H ATOM 1583 HG3 GLU A 108 -20.700 -0.193 -24.339 1.00 0.00 H ATOM 1584 H GLU A 108 -19.496 2.739 -26.047 1.00 0.00 H ATOM 1585 N SER A 109 -18.221 4.151 -23.236 1.00 75.87 N ATOM 1586 CA SER A 109 -17.362 4.995 -22.383 1.00 73.26 C ATOM 1587 C SER A 109 -17.878 6.436 -22.179 1.00 72.78 C ATOM 1588 O SER A 109 -17.884 6.939 -21.042 1.00 73.43 O ATOM 1589 CB SER A 109 -15.921 5.073 -22.928 1.00 70.18 C ATOM 1590 OG SER A 109 -15.419 3.816 -23.341 1.00 70.87 O ATOM 1591 HA SER A 109 -17.384 4.496 -21.414 1.00 0.00 H ATOM 1592 HB2 SER A 109 -15.273 5.466 -22.144 1.00 0.00 H ATOM 1593 HB3 SER A 109 -15.908 5.750 -23.782 1.00 0.00 H ATOM 1594 HG SER A 109 -14.495 3.926 -23.680 1.00 0.00 H ATOM 1595 H SER A 109 -17.773 3.495 -23.908 1.00 0.00 H ATOM 1596 N ILE A 110 -18.301 7.083 -23.272 1.00 71.63 N ATOM 1597 CA ILE A 110 -18.550 8.542 -23.301 1.00 70.67 C ATOM 1598 C ILE A 110 -19.990 8.928 -23.688 1.00 73.54 C ATOM 1599 O ILE A 110 -20.348 8.903 -24.867 1.00 74.05 O ATOM 1600 CB ILE A 110 -17.522 9.256 -24.230 1.00 67.61 C ATOM 1601 CG1 ILE A 110 -16.100 8.838 -23.829 1.00 65.40 C ATOM 1602 CG2 ILE A 110 -17.706 10.764 -24.212 1.00 65.87 C ATOM 1603 CD1 ILE A 110 -14.979 9.433 -24.668 1.00 63.55 C ATOM 1604 HA ILE A 110 -18.417 8.885 -22.275 1.00 0.00 H ATOM 1605 HB ILE A 110 -17.695 8.945 -25.260 1.00 0.00 H ATOM 1606 HG12 ILE A 110 -15.941 9.140 -22.794 1.00 0.00 H ATOM 1607 HG13 ILE A 110 -16.035 7.752 -23.904 1.00 0.00 H ATOM 1608 HD11 ILE A 110 -15.106 9.132 -25.708 1.00 0.00 H ATOM 1609 HD12 ILE A 110 -15.011 10.520 -24.597 1.00 0.00 H ATOM 1610 HD13 ILE A 110 -14.019 9.072 -24.298 1.00 0.00 H ATOM 1611 HG21 ILE A 110 -18.711 11.010 -24.556 1.00 0.00 H ATOM 1612 HG22 ILE A 110 -17.567 11.134 -23.196 1.00 0.00 H ATOM 1613 HG23 ILE A 110 -16.971 11.226 -24.871 1.00 0.00 H ATOM 1614 H ILE A 110 -18.462 6.535 -24.141 1.00 0.00 H ATOM 1615 N PRO A 111 -20.819 9.289 -22.693 1.00 75.88 N ATOM 1616 CA PRO A 111 -22.194 9.705 -22.994 1.00 79.55 C ATOM 1617 C PRO A 111 -22.248 11.001 -23.803 1.00 79.29 C ATOM 1618 O PRO A 111 -21.276 11.761 -23.807 1.00 76.68 O ATOM 1619 CB PRO A 111 -22.805 9.921 -21.602 1.00 82.02 C ATOM 1620 CG PRO A 111 -21.992 9.050 -20.701 1.00 80.39 C ATOM 1621 CD PRO A 111 -20.599 9.155 -21.242 1.00 76.13 C ATOM 1622 HA PRO A 111 -22.720 8.969 -23.602 1.00 0.00 H ATOM 1623 HD3 PRO A 111 -20.087 10.029 -20.840 1.00 0.00 H ATOM 1624 HD2 PRO A 111 -20.021 8.260 -21.014 1.00 0.00 H ATOM 1625 HG3 PRO A 111 -22.344 8.019 -20.739 1.00 0.00 H ATOM 1626 HG2 PRO A 111 -22.035 9.410 -19.673 1.00 0.00 H ATOM 1627 HB2 PRO A 111 -22.726 10.966 -21.303 1.00 0.00 H ATOM 1628 HB3 PRO A 111 -23.852 9.619 -21.589 1.00 0.00 H ATOM 1629 N GLY A 112 -23.366 11.249 -24.484 1.00 82.32 N ATOM 1630 CA GLY A 112 -23.573 12.529 -25.168 1.00 83.29 C ATOM 1631 C GLY A 112 -23.346 13.673 -24.191 1.00 83.60 C ATOM 1632 O GLY A 112 -23.540 13.501 -22.984 1.00 84.36 O ATOM 1633 HA3 GLY A 112 -24.593 12.575 -25.551 1.00 0.00 H ATOM 1634 HA2 GLY A 112 -22.871 12.615 -25.997 1.00 0.00 H ATOM 1635 H GLY A 112 -24.106 10.520 -24.531 1.00 0.00 H ATOM 1636 N ASN A 113 -22.922 14.832 -24.695 1.00 83.16 N ATOM 1637 CA ASN A 113 -22.613 15.989 -23.835 1.00 83.58 C ATOM 1638 C ASN A 113 -21.792 15.634 -22.590 1.00 81.05 C ATOM 1639 O ASN A 113 -22.330 15.626 -21.471 1.00 83.18 O ATOM 1640 CB ASN A 113 -23.901 16.713 -23.413 1.00 88.77 C ATOM 1641 CG ASN A 113 -24.086 18.047 -24.115 1.00 92.24 C ATOM 1642 OD1 ASN A 113 -24.024 19.107 -23.478 1.00 95.69 O ATOM 1643 ND2 ASN A 113 -24.316 18.008 -25.429 1.00 93.18 N ATOM 1644 HA ASN A 113 -21.994 16.648 -24.444 1.00 0.00 H ATOM 1645 HB2 ASN A 113 -24.752 16.075 -23.649 1.00 0.00 H ATOM 1646 HB3 ASN A 113 -23.866 16.887 -22.338 1.00 0.00 H ATOM 1647 HD22 ASN A 113 -24.360 17.094 -25.922 1.00 0.00 H ATOM 1648 HD21 ASN A 113 -24.452 18.892 -25.960 1.00 0.00 H ATOM 1649 H ASN A 113 -22.806 14.923 -25.725 1.00 0.00 H ATOM 1650 N SER A 114 -20.504 15.334 -22.783 1.00 76.62 N ATOM 1651 CA SER A 114 -19.630 14.924 -21.682 1.00 73.82 C ATOM 1652 C SER A 114 -18.422 15.839 -21.623 1.00 71.53 C ATOM 1653 O SER A 114 -17.717 15.984 -22.620 1.00 70.47 O ATOM 1654 CB SER A 114 -19.164 13.479 -21.876 1.00 71.59 C ATOM 1655 OG SER A 114 -20.253 12.576 -21.962 1.00 72.77 O ATOM 1656 HA SER A 114 -20.190 14.991 -20.749 1.00 0.00 H ATOM 1657 HB2 SER A 114 -18.537 13.195 -21.031 1.00 0.00 H ATOM 1658 HB3 SER A 114 -18.582 13.417 -22.796 1.00 0.00 H ATOM 1659 HG SER A 114 -20.825 12.823 -22.732 1.00 0.00 H ATOM 1660 H SER A 114 -20.111 15.394 -23.744 1.00 0.00 H ATOM 1661 N VAL A 115 -18.170 16.456 -20.475 1.00 71.37 N ATOM 1662 CA VAL A 115 -16.946 17.235 -20.318 1.00 69.15 C ATOM 1663 C VAL A 115 -15.772 16.266 -20.221 1.00 65.68 C ATOM 1664 O VAL A 115 -15.805 15.313 -19.444 1.00 66.12 O ATOM 1665 CB VAL A 115 -16.974 18.113 -19.051 1.00 71.32 C ATOM 1666 CG1 VAL A 115 -15.784 19.071 -19.036 1.00 69.89 C ATOM 1667 CG2 VAL A 115 -18.293 18.880 -18.946 1.00 75.09 C ATOM 1668 HA VAL A 115 -16.850 17.898 -21.178 1.00 0.00 H ATOM 1669 HB VAL A 115 -16.898 17.459 -18.182 1.00 0.00 H ATOM 1670 HG11 VAL A 115 -14.857 18.497 -19.049 1.00 0.00 H ATOM 1671 HG12 VAL A 115 -15.827 19.715 -19.914 1.00 0.00 H ATOM 1672 HG13 VAL A 115 -15.822 19.682 -18.134 1.00 0.00 H ATOM 1673 HG21 VAL A 115 -18.409 19.521 -19.820 1.00 0.00 H ATOM 1674 HG22 VAL A 115 -19.121 18.172 -18.900 1.00 0.00 H ATOM 1675 HG23 VAL A 115 -18.286 19.491 -18.043 1.00 0.00 H ATOM 1676 H VAL A 115 -18.845 16.384 -19.687 1.00 0.00 H ATOM 1677 N LEU A 116 -14.735 16.497 -21.012 1.00 62.83 N ATOM 1678 CA LEU A 116 -13.570 15.609 -21.001 1.00 59.35 C ATOM 1679 C LEU A 116 -12.399 16.226 -20.242 1.00 58.88 C ATOM 1680 O LEU A 116 -12.115 17.423 -20.378 1.00 59.68 O ATOM 1681 CB LEU A 116 -13.159 15.239 -22.424 1.00 57.09 C ATOM 1682 CG LEU A 116 -14.263 14.768 -23.371 1.00 56.35 C ATOM 1683 CD1 LEU A 116 -13.673 14.558 -24.727 1.00 53.78 C ATOM 1684 CD2 LEU A 116 -14.949 13.510 -22.889 1.00 55.33 C ATOM 1685 HA LEU A 116 -13.856 14.697 -20.476 1.00 0.00 H ATOM 1686 HB2 LEU A 116 -12.697 16.119 -22.871 1.00 0.00 H ATOM 1687 HB3 LEU A 116 -12.422 14.439 -22.355 1.00 0.00 H ATOM 1688 HG LEU A 116 -15.033 15.539 -23.406 1.00 0.00 H ATOM 1689 HD21 LEU A 116 -14.216 12.708 -22.805 1.00 0.00 H ATOM 1690 HD22 LEU A 116 -15.401 13.695 -21.914 1.00 0.00 H ATOM 1691 HD23 LEU A 116 -15.723 13.224 -23.601 1.00 0.00 H ATOM 1692 HD11 LEU A 116 -13.250 15.496 -25.087 1.00 0.00 H ATOM 1693 HD12 LEU A 116 -12.888 13.804 -24.668 1.00 0.00 H ATOM 1694 HD13 LEU A 116 -14.451 14.222 -25.412 1.00 0.00 H ATOM 1695 H LEU A 116 -14.748 17.319 -21.649 1.00 0.00 H ATOM 1696 N LEU A 117 -11.742 15.407 -19.423 1.00 57.98 N ATOM 1697 CA LEU A 117 -10.547 15.820 -18.697 1.00 57.53 C ATOM 1698 C LEU A 117 -9.395 15.004 -19.176 1.00 55.36 C ATOM 1699 O LEU A 117 -9.350 13.814 -18.929 1.00 55.02 O ATOM 1700 CB LEU A 117 -10.683 15.549 -17.209 1.00 58.81 C ATOM 1701 CG LEU A 117 -11.916 16.067 -16.495 1.00 61.86 C ATOM 1702 CD1 LEU A 117 -12.053 15.337 -15.157 1.00 63.69 C ATOM 1703 CD2 LEU A 117 -11.824 17.578 -16.316 1.00 62.55 C ATOM 1704 HA LEU A 117 -10.403 16.887 -18.867 1.00 0.00 H ATOM 1705 HB2 LEU A 117 -10.662 14.468 -17.074 1.00 0.00 H ATOM 1706 HB3 LEU A 117 -9.816 15.992 -16.719 1.00 0.00 H ATOM 1707 HG LEU A 117 -12.809 15.870 -17.088 1.00 0.00 H ATOM 1708 HD21 LEU A 117 -10.941 17.819 -15.725 1.00 0.00 H ATOM 1709 HD22 LEU A 117 -11.750 18.055 -17.294 1.00 0.00 H ATOM 1710 HD23 LEU A 117 -12.716 17.937 -15.802 1.00 0.00 H ATOM 1711 HD11 LEU A 117 -12.152 14.267 -15.337 1.00 0.00 H ATOM 1712 HD12 LEU A 117 -11.167 15.525 -14.550 1.00 0.00 H ATOM 1713 HD13 LEU A 117 -12.937 15.702 -14.634 1.00 0.00 H ATOM 1714 H LEU A 117 -12.094 14.437 -19.297 1.00 0.00 H ATOM 1715 N PHE A 118 -8.455 15.629 -19.852 1.00 54.87 N ATOM 1716 CA PHE A 118 -7.243 14.921 -20.201 1.00 54.21 C ATOM 1717 C PHE A 118 -6.069 15.413 -19.404 1.00 55.30 C ATOM 1718 O PHE A 118 -5.978 16.597 -19.065 1.00 56.80 O ATOM 1719 CB PHE A 118 -6.917 15.059 -21.684 1.00 53.14 C ATOM 1720 CG PHE A 118 -7.810 14.268 -22.566 1.00 52.97 C ATOM 1721 CD1 PHE A 118 -7.522 12.945 -22.848 1.00 52.81 C ATOM 1722 CD2 PHE A 118 -8.939 14.836 -23.120 1.00 53.71 C ATOM 1723 CE1 PHE A 118 -8.344 12.204 -23.667 1.00 52.45 C ATOM 1724 CE2 PHE A 118 -9.771 14.092 -23.944 1.00 54.18 C ATOM 1725 CZ PHE A 118 -9.478 12.782 -24.212 1.00 53.49 C ATOM 1726 HA PHE A 118 -7.425 13.872 -19.969 1.00 0.00 H ATOM 1727 HB2 PHE A 118 -7.003 16.110 -21.959 1.00 0.00 H ATOM 1728 HB3 PHE A 118 -5.892 14.726 -21.844 1.00 0.00 H ATOM 1729 HD2 PHE A 118 -9.179 15.878 -22.908 1.00 0.00 H ATOM 1730 HE2 PHE A 118 -10.659 14.551 -24.378 1.00 0.00 H ATOM 1731 HZ PHE A 118 -10.136 12.195 -24.853 1.00 0.00 H ATOM 1732 HE1 PHE A 118 -8.102 11.164 -23.886 1.00 0.00 H ATOM 1733 HD1 PHE A 118 -6.634 12.483 -22.417 1.00 0.00 H ATOM 1734 H PHE A 118 -8.582 16.622 -20.133 1.00 0.00 H ATOM 1735 N GLU A 119 -5.180 14.487 -19.089 1.00 55.20 N ATOM 1736 CA GLU A 119 -3.808 14.856 -18.903 1.00 56.57 C ATOM 1737 C GLU A 119 -3.098 14.554 -20.206 1.00 55.80 C ATOM 1738 O GLU A 119 -3.278 13.479 -20.775 1.00 54.63 O ATOM 1739 CB GLU A 119 -3.168 14.047 -17.806 1.00 57.84 C ATOM 1740 CG GLU A 119 -1.679 14.203 -17.821 1.00 60.30 C ATOM 1741 CD GLU A 119 -0.991 13.226 -16.946 1.00 64.22 C ATOM 1742 OE1 GLU A 119 -1.667 12.586 -16.116 1.00 65.78 O ATOM 1743 OE2 GLU A 119 0.241 13.100 -17.082 1.00 68.09 O ATOM 1744 HA GLU A 119 -3.741 15.908 -18.626 1.00 0.00 H ATOM 1745 HB2 GLU A 119 -3.552 14.385 -16.843 1.00 0.00 H ATOM 1746 HB3 GLU A 119 -3.418 12.995 -17.947 1.00 0.00 H ATOM 1747 HG2 GLU A 119 -1.324 14.066 -18.843 1.00 0.00 H ATOM 1748 HG3 GLU A 119 -1.430 15.209 -17.483 1.00 0.00 H ATOM 1749 H GLU A 119 -5.475 13.496 -18.977 1.00 0.00 H ATOM 1750 N ILE A 120 -2.292 15.496 -20.681 1.00 56.91 N ATOM 1751 CA ILE A 120 -1.566 15.289 -21.927 1.00 57.00 C ATOM 1752 C ILE A 120 -0.102 15.626 -21.766 1.00 58.72 C ATOM 1753 O ILE A 120 0.219 16.706 -21.350 1.00 60.74 O ATOM 1754 CB ILE A 120 -2.151 16.107 -23.092 1.00 56.66 C ATOM 1755 CG1 ILE A 120 -3.643 15.829 -23.233 1.00 55.70 C ATOM 1756 CG2 ILE A 120 -1.423 15.763 -24.384 1.00 57.19 C ATOM 1757 CD1 ILE A 120 -4.189 16.010 -24.633 1.00 56.25 C ATOM 1758 HA ILE A 120 -1.673 14.231 -22.169 1.00 0.00 H ATOM 1759 HB ILE A 120 -2.015 17.168 -22.884 1.00 0.00 H ATOM 1760 HG12 ILE A 120 -3.828 14.799 -22.926 1.00 0.00 H ATOM 1761 HG13 ILE A 120 -4.179 16.506 -22.569 1.00 0.00 H ATOM 1762 HD11 ILE A 120 -4.027 17.039 -24.955 1.00 0.00 H ATOM 1763 HD12 ILE A 120 -3.675 15.330 -25.313 1.00 0.00 H ATOM 1764 HD13 ILE A 120 -5.257 15.791 -24.636 1.00 0.00 H ATOM 1765 HG21 ILE A 120 -0.364 15.997 -24.276 1.00 0.00 H ATOM 1766 HG22 ILE A 120 -1.542 14.700 -24.595 1.00 0.00 H ATOM 1767 HG23 ILE A 120 -1.844 16.347 -25.203 1.00 0.00 H ATOM 1768 H ILE A 120 -2.178 16.389 -20.160 1.00 0.00 H ATOM 1769 N GLU A 121 0.775 14.692 -22.100 1.00 59.33 N ATOM 1770 CA GLU A 121 2.203 14.940 -22.138 1.00 61.78 C ATOM 1771 C GLU A 121 2.686 14.969 -23.590 1.00 62.65 C ATOM 1772 O GLU A 121 2.415 14.044 -24.358 1.00 61.93 O ATOM 1773 CB GLU A 121 2.916 13.835 -21.384 1.00 62.30 C ATOM 1774 CG GLU A 121 4.362 14.115 -21.085 1.00 65.77 C ATOM 1775 CD GLU A 121 5.008 13.009 -20.278 1.00 67.81 C ATOM 1776 OE1 GLU A 121 4.369 11.956 -20.043 1.00 65.66 O ATOM 1777 OE2 GLU A 121 6.172 13.202 -19.872 1.00 72.54 O ATOM 1778 HA GLU A 121 2.420 15.902 -21.674 1.00 0.00 H ATOM 1779 HB2 GLU A 121 2.397 13.678 -20.438 1.00 0.00 H ATOM 1780 HB3 GLU A 121 2.862 12.925 -21.982 1.00 0.00 H ATOM 1781 HG2 GLU A 121 4.900 14.222 -22.027 1.00 0.00 H ATOM 1782 HG3 GLU A 121 4.430 15.046 -20.521 1.00 0.00 H ATOM 1783 H GLU A 121 0.426 13.743 -22.345 1.00 0.00 H ATOM 1784 N LEU A 122 3.392 16.025 -23.978 1.00 64.87 N ATOM 1785 CA LEU A 122 3.914 16.096 -25.334 1.00 66.00 C ATOM 1786 C LEU A 122 5.320 15.515 -25.341 1.00 68.44 C ATOM 1787 O LEU A 122 6.263 16.121 -24.827 1.00 70.88 O ATOM 1788 CB LEU A 122 3.895 17.531 -25.863 1.00 67.28 C ATOM 1789 CG LEU A 122 4.448 17.775 -27.274 1.00 69.04 C ATOM 1790 CD1 LEU A 122 4.008 16.720 -28.295 1.00 67.56 C ATOM 1791 CD2 LEU A 122 4.057 19.153 -27.755 1.00 70.04 C ATOM 1792 HA LEU A 122 3.279 15.513 -26.002 1.00 0.00 H ATOM 1793 HB2 LEU A 122 2.858 17.868 -25.856 1.00 0.00 H ATOM 1794 HB3 LEU A 122 4.479 18.141 -25.174 1.00 0.00 H ATOM 1795 HG LEU A 122 5.532 17.698 -27.196 1.00 0.00 H ATOM 1796 HD21 LEU A 122 2.970 19.234 -27.778 1.00 0.00 H ATOM 1797 HD22 LEU A 122 4.464 19.902 -27.076 1.00 0.00 H ATOM 1798 HD23 LEU A 122 4.455 19.313 -28.757 1.00 0.00 H ATOM 1799 HD11 LEU A 122 4.355 15.738 -27.973 1.00 0.00 H ATOM 1800 HD12 LEU A 122 2.920 16.717 -28.367 1.00 0.00 H ATOM 1801 HD13 LEU A 122 4.437 16.957 -29.269 1.00 0.00 H ATOM 1802 H LEU A 122 3.572 16.803 -23.311 1.00 0.00 H ATOM 1803 N LEU A 123 5.459 14.332 -25.921 1.00 68.31 N ATOM 1804 CA LEU A 123 6.739 13.643 -25.882 1.00 71.03 C ATOM 1805 C LEU A 123 7.720 14.194 -26.909 1.00 74.43 C ATOM 1806 O LEU A 123 8.847 14.558 -26.555 1.00 77.69 O ATOM 1807 CB LEU A 123 6.566 12.135 -26.061 1.00 69.70 C ATOM 1808 CG LEU A 123 5.619 11.480 -25.059 1.00 67.46 C ATOM 1809 CD1 LEU A 123 5.242 10.088 -25.540 1.00 66.41 C ATOM 1810 CD2 LEU A 123 6.200 11.457 -23.657 1.00 67.73 C ATOM 1811 HA LEU A 123 7.161 13.826 -24.894 1.00 0.00 H ATOM 1812 HB2 LEU A 123 6.179 11.954 -27.064 1.00 0.00 H ATOM 1813 HB3 LEU A 123 7.545 11.666 -25.961 1.00 0.00 H ATOM 1814 HG LEU A 123 4.712 12.082 -25.000 1.00 0.00 H ATOM 1815 HD21 LEU A 123 7.134 10.894 -23.661 1.00 0.00 H ATOM 1816 HD22 LEU A 123 6.391 12.478 -23.328 1.00 0.00 H ATOM 1817 HD23 LEU A 123 5.491 10.982 -22.979 1.00 0.00 H ATOM 1818 HD11 LEU A 123 4.748 10.161 -26.509 1.00 0.00 H ATOM 1819 HD12 LEU A 123 6.143 9.481 -25.635 1.00 0.00 H ATOM 1820 HD13 LEU A 123 4.566 9.627 -24.820 1.00 0.00 H ATOM 1821 H LEU A 123 4.650 13.894 -26.406 1.00 0.00 H ATOM 1822 N SER A 124 7.298 14.245 -28.172 1.00 74.39 N ATOM 1823 CA SER A 124 8.167 14.669 -29.267 1.00 77.52 C ATOM 1824 C SER A 124 7.341 15.036 -30.481 1.00 77.34 C ATOM 1825 O SER A 124 6.114 15.046 -30.414 1.00 74.89 O ATOM 1826 CB SER A 124 9.157 13.560 -29.622 1.00 79.12 C ATOM 1827 OG SER A 124 8.477 12.422 -30.107 1.00 76.74 O ATOM 1828 HA SER A 124 8.726 15.547 -28.944 1.00 0.00 H ATOM 1829 HB2 SER A 124 9.723 13.287 -28.732 1.00 0.00 H ATOM 1830 HB3 SER A 124 9.841 13.923 -30.389 1.00 0.00 H ATOM 1831 HG SER A 124 9.135 11.717 -30.331 1.00 0.00 H ATOM 1832 H SER A 124 6.317 13.974 -28.385 1.00 0.00 H ATOM 1833 N PHE A 125 8.019 15.351 -31.582 1.00 81.02 N ATOM 1834 CA PHE A 125 7.360 15.653 -32.857 1.00 82.15 C ATOM 1835 C PHE A 125 8.347 15.614 -34.022 1.00 86.53 C ATOM 1836 O PHE A 125 9.449 16.135 -33.910 1.00 89.95 O ATOM 1837 CB PHE A 125 6.637 17.014 -32.819 1.00 81.99 C ATOM 1838 CG PHE A 125 7.528 18.161 -32.471 1.00 84.97 C ATOM 1839 CD1 PHE A 125 8.212 18.853 -33.461 1.00 88.79 C ATOM 1840 CD2 PHE A 125 7.691 18.551 -31.146 1.00 84.36 C ATOM 1841 CE1 PHE A 125 9.054 19.918 -33.132 1.00 92.39 C ATOM 1842 CE2 PHE A 125 8.526 19.611 -30.811 1.00 87.44 C ATOM 1843 CZ PHE A 125 9.207 20.298 -31.806 1.00 91.21 C ATOM 1844 HA PHE A 125 6.612 14.876 -33.014 1.00 0.00 H ATOM 1845 HB2 PHE A 125 6.204 17.201 -33.802 1.00 0.00 H ATOM 1846 HB3 PHE A 125 5.841 16.960 -32.077 1.00 0.00 H ATOM 1847 HD2 PHE A 125 7.157 18.018 -30.359 1.00 0.00 H ATOM 1848 HE2 PHE A 125 8.646 19.902 -29.767 1.00 0.00 H ATOM 1849 HZ PHE A 125 9.859 21.132 -31.547 1.00 0.00 H ATOM 1850 HE1 PHE A 125 9.591 20.451 -33.917 1.00 0.00 H ATOM 1851 HD1 PHE A 125 8.091 18.563 -34.505 1.00 0.00 H ATOM 1852 H PHE A 125 9.057 15.384 -31.536 1.00 0.00 H ATOM 1853 N ARG A 126 7.945 14.976 -35.124 1.00 87.24 N ATOM 1854 CA ARG A 126 8.690 15.021 -36.392 1.00 91.57 C ATOM 1855 C ARG A 126 8.002 16.030 -37.314 1.00 93.03 C ATOM 1856 O ARG A 126 6.915 16.526 -36.989 1.00 90.43 O ATOM 1857 CB ARG A 126 8.782 13.634 -37.066 1.00 91.53 C ATOM 1858 CG ARG A 126 9.240 12.486 -36.149 1.00 91.18 C ATOM 1859 CD ARG A 126 10.157 11.481 -36.864 1.00 95.93 C ATOM 1860 NE ARG A 126 11.547 11.962 -36.960 1.00102.07 N ATOM 1861 CZ ARG A 126 12.615 11.204 -37.240 1.00105.99 C ATOM 1862 NH1 ARG A 126 12.489 9.900 -37.464 1.00106.08 N ATOM 1863 NH2 ARG A 126 13.827 11.751 -37.294 1.00109.72 N ATOM 1864 HA ARG A 126 9.716 15.329 -36.189 1.00 0.00 H ATOM 1865 HB2 ARG A 126 7.795 13.382 -37.454 1.00 0.00 H ATOM 1866 HB3 ARG A 126 9.489 13.707 -37.893 1.00 0.00 H ATOM 1867 HG2 ARG A 126 9.781 12.910 -35.303 1.00 0.00 H ATOM 1868 HG3 ARG A 126 8.359 11.957 -35.787 1.00 0.00 H ATOM 1869 HD2 ARG A 126 9.774 11.311 -37.870 1.00 0.00 H ATOM 1870 HD3 ARG A 126 10.148 10.542 -36.310 1.00 0.00 H ATOM 1871 HE ARG A 126 11.712 12.976 -36.796 1.00 0.00 H ATOM 1872 HH12 ARG A 126 13.329 9.326 -37.680 1.00 0.00 H ATOM 1873 HH11 ARG A 126 11.551 9.454 -37.423 1.00 0.00 H ATOM 1874 HH22 ARG A 126 14.655 11.160 -37.512 1.00 0.00 H ATOM 1875 HH21 ARG A 126 13.946 12.769 -37.119 1.00 0.00 H ATOM 1876 H ARG A 126 7.066 14.422 -35.084 1.00 0.00 H ATOM 1877 N GLU A 127 8.644 16.340 -38.446 1.00 97.71 N ATOM 1878 CA GLU A 127 8.108 17.266 -39.455 1.00100.08 C ATOM 1879 C GLU A 127 7.487 16.478 -40.632 1.00100.05 C ATOM 1880 O GLU A 127 7.961 16.560 -41.764 1.00104.06 O ATOM 1881 CB GLU A 127 9.232 18.193 -39.920 1.00105.51 C ATOM 1882 CG GLU A 127 8.779 19.522 -40.497 1.00109.11 C ATOM 1883 CD GLU A 127 9.926 20.303 -41.141 1.00116.16 C ATOM 1884 OE1 GLU A 127 10.537 19.804 -42.115 1.00119.57 O ATOM 1885 OE2 GLU A 127 10.208 21.427 -40.678 1.00118.47 O ATOM 1886 HA GLU A 127 7.313 17.873 -39.023 1.00 0.00 H ATOM 1887 HB2 GLU A 127 9.875 18.399 -39.064 1.00 0.00 H ATOM 1888 HB3 GLU A 127 9.805 17.670 -40.686 1.00 0.00 H ATOM 1889 HG2 GLU A 127 8.017 19.333 -41.253 1.00 0.00 H ATOM 1890 HG3 GLU A 127 8.353 20.124 -39.695 1.00 0.00 H ATOM 1891 H GLU A 127 9.571 15.903 -38.622 1.00 0.00 H ATOM 1892 N LEU A 128 6.420 15.718 -40.344 1.00 96.09 N ATOM 1893 CA LEU A 128 5.906 14.657 -41.243 1.00 95.42 C ATOM 1894 C LEU A 128 4.467 14.917 -41.719 1.00 94.20 C ATOM 1895 O LEU A 128 3.527 14.916 -40.916 1.00 90.74 O ATOM 1896 CB LEU A 128 6.030 13.274 -40.554 1.00 92.33 C ATOM 1897 CG LEU A 128 5.599 11.921 -41.152 1.00 90.70 C ATOM 1898 CD1 LEU A 128 6.614 10.831 -40.857 1.00 90.77 C ATOM 1899 CD2 LEU A 128 4.263 11.480 -40.625 1.00 85.01 C ATOM 1900 HA LEU A 128 6.523 14.666 -42.142 1.00 0.00 H ATOM 1901 HB2 LEU A 128 7.090 13.162 -40.328 1.00 0.00 H ATOM 1902 HB3 LEU A 128 5.469 13.367 -39.624 1.00 0.00 H ATOM 1903 HG LEU A 128 5.531 12.075 -42.229 1.00 0.00 H ATOM 1904 HD21 LEU A 128 4.318 11.375 -39.542 1.00 0.00 H ATOM 1905 HD22 LEU A 128 3.509 12.224 -40.881 1.00 0.00 H ATOM 1906 HD23 LEU A 128 3.996 10.522 -41.071 1.00 0.00 H ATOM 1907 HD11 LEU A 128 7.577 11.107 -41.287 1.00 0.00 H ATOM 1908 HD12 LEU A 128 6.717 10.714 -39.778 1.00 0.00 H ATOM 1909 HD13 LEU A 128 6.275 9.892 -41.295 1.00 0.00 H ATOM 1910 H LEU A 128 5.927 15.882 -39.443 1.00 0.00 H ATOM 1911 N GLU A 129 4.332 15.179 -43.023 1.00 97.53 N ATOM 1912 CA GLU A 129 3.054 15.169 -43.778 1.00 97.20 C ATOM 1913 C GLU A 129 1.904 16.058 -43.290 1.00 95.41 C ATOM 1914 O GLU A 129 0.857 15.538 -42.880 1.00 92.23 O ATOM 1915 CB GLU A 129 2.539 13.737 -43.979 1.00 95.03 C ATOM 1916 CG GLU A 129 1.901 13.552 -45.347 1.00 97.42 C ATOM 1917 CD GLU A 129 1.281 12.189 -45.543 1.00 94.93 C ATOM 1918 OE1 GLU A 129 1.247 11.395 -44.564 1.00 90.76 O ATOM 1919 OE2 GLU A 129 0.821 11.933 -46.683 1.00 95.78 O ATOM 1920 HA GLU A 129 3.357 15.636 -44.715 1.00 0.00 H ATOM 1921 OXT GLU A 129 1.973 17.292 -43.340 1.00 97.43 O ATOM 1922 HB2 GLU A 129 3.375 13.044 -43.883 1.00 0.00 H ATOM 1923 HB3 GLU A 129 1.797 13.518 -43.211 1.00 0.00 H ATOM 1924 HG2 GLU A 129 1.124 14.306 -45.470 1.00 0.00 H ATOM 1925 HG3 GLU A 129 2.668 13.695 -46.108 1.00 0.00 H ATOM 1926 H GLU A 129 5.196 15.410 -43.554 1.00 0.00 H TER 1927 GLU A 129 HETATM 1928 O HOH 1 6.054 5.028 -23.502 1.00 46.45 O HETATM 1929 O HOH 2 -24.980 8.439 -24.179 1.00 35.91 O HETATM 1930 O1 D A 44 -9.066 11.884 -30.561 1.00 -0.38 O HETATM 1931 C2 D A 44 -9.131 10.973 -29.758 1.00 0.22 C HETATM 1932 N3 D A 44 -9.229 9.675 -30.092 1.00 -0.24 N HETATM 1933 C4 D A 44 -9.262 9.196 -31.427 1.00 0.07 C HETATM 1934 C9 D A 44 -8.449 9.778 -32.415 1.00 -0.05 C HETATM 1935 C8 D A 44 -8.458 9.331 -33.743 1.00 -0.08 C HETATM 1936 C7 D A 44 -9.290 8.277 -34.105 1.00 -0.08 C HETATM 1937 C6 D A 44 -10.104 7.688 -33.136 1.00 -0.07 C HETATM 1938 C5 D A 44 -10.099 8.131 -31.800 1.00 -0.02 C HETATM 1939 C10 D A 44 -11.003 7.455 -30.773 1.00 -0.03 C HETATM 1940 C11 D A 44 -11.921 6.407 -31.374 1.00 -0.06 C HETATM 1941 H8 D A 44 -12.540 5.964 -30.580 1.00 0.02 H HETATM 1942 H9 D A 44 -11.317 5.620 -31.850 1.00 0.02 H HETATM 1943 H10 D A 44 -12.571 6.877 -32.127 1.00 0.02 H HETATM 1944 H6 D A 44 -11.623 8.227 -30.293 1.00 0.04 H HETATM 1945 H7 D A 44 -10.369 6.970 -30.016 1.00 0.04 H HETATM 1946 H5 D A 44 -10.756 6.870 -33.419 1.00 0.05 H HETATM 1947 H4 D A 44 -9.306 7.917 -35.127 1.00 0.05 H HETATM 1948 H3 D A 44 -7.821 9.803 -34.483 1.00 0.05 H HETATM 1949 H2 D A 44 -7.795 10.598 -32.141 1.00 0.05 H HETATM 1950 H1 D A 44 -9.282 9.004 -29.352 1.00 0.22 H HETATM 1951 C12 D A 44 -9.120 11.356 -28.300 1.00 0.11 C HETATM 1952 S13 D A 44 -8.728 10.024 -27.217 1.00 -0.01 S HETATM 1953 C14 D A 44 -10.067 8.938 -27.048 1.00 0.19 C HETATM 1954 N18 D A 44 -9.911 7.731 -26.494 1.00 -0.22 N HETATM 1955 C17 D A 44 -11.151 7.220 -26.565 1.00 0.15 C HETATM 1956 N22 D A 44 -11.543 5.995 -26.135 1.00 -0.29 N HETATM 1957 C21 D A 44 -12.821 5.632 -26.280 1.00 -0.01 C HETATM 1958 C20 D A 44 -13.741 6.499 -26.867 1.00 -0.05 C HETATM 1959 C19 D A 44 -13.347 7.757 -27.319 1.00 -0.05 C HETATM 1960 C16 D A 44 -12.017 8.132 -27.159 1.00 0.05 C HETATM 1961 N15 D A 44 -11.303 9.240 -27.468 1.00 -0.30 N HETATM 1962 H16 D A 44 -14.060 8.428 -27.784 1.00 0.07 H HETATM 1963 H15 D A 44 -14.775 6.191 -26.973 1.00 0.06 H HETATM 1964 H14 D A 44 -13.145 4.655 -25.938 1.00 0.07 H HETATM 1965 H13 D A 44 -9.057 7.302 -26.110 1.00 0.24 H HETATM 1966 H11 D A 44 -10.117 11.737 -28.034 1.00 0.07 H HETATM 1967 H12 D A 44 -8.373 12.151 -28.156 1.00 0.07 H CONECT 1 2 20 21 22 CONECT 20 1 CONECT 21 1 CONECT 22 1 CONECT 1930 1931 CONECT 1931 1930 1932 1951 CONECT 1932 1931 1933 1950 CONECT 1933 1932 1934 1938 CONECT 1934 1933 1935 1949 CONECT 1935 1934 1936 1948 CONECT 1936 1935 1937 1947 CONECT 1937 1936 1938 1946 CONECT 1938 1933 1937 1939 CONECT 1939 1938 1940 1944 1945 CONECT 1940 1939 1941 1942 1943 CONECT 1941 1940 CONECT 1942 1940 CONECT 1943 1940 CONECT 1944 1939 CONECT 1945 1939 CONECT 1946 1937 CONECT 1947 1936 CONECT 1948 1935 CONECT 1949 1934 CONECT 1950 1932 CONECT 1951 1931 1952 1966 1967 CONECT 1952 1951 1953 CONECT 1953 1952 1954 1961 CONECT 1954 1953 1955 1965 CONECT 1955 1954 1956 1960 CONECT 1956 1955 1957 CONECT 1957 1956 1958 1964 CONECT 1958 1957 1959 1963 CONECT 1959 1958 1960 1962 CONECT 1960 1955 1959 1961 CONECT 1961 1953 1960 CONECT 1962 1959 CONECT 1963 1958 CONECT 1964 1957 CONECT 1965 1954 CONECT 1966 1951 CONECT 1967 1951 MASTER 0 0 0 0 0 0 0 0 1966 1 42 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4j4n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4qt2
RCSB PDB
PDBbind
131aa, >4QT2_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4j4o
RCSB PDB
PDBbind
D44
Entry Information
PDB ID
4j4n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FK506-binding protein (FKBP)-type peptidyl-propyl isomerase
Ligand Name
D44
EC.Number
E.C.5.2.1.8
Resolution
2.75(Å)
Affinity (Kd/Ki/IC50)
IC50=132nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Sci Rep Vol. 3: pp. 2501-2501
Ligand Properties
Formula
C
1
6
H
1
6
N
4
OS
Molecular Weight
312.389
Exact Mass
312.104
No. of atoms
38
No. of bonds
40
Polar Surface Area
95.97
LOGP Value
3.30 (
Computed with XLOGP3
)
3.32 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCc1ccccc1NC(=O)CSc1nc2c([nH]1)nccc2
InChI String
InChI=1S/C16H16N4OS/c1-2-11-6-3-4-7-12(11)18-14(21)10-22-16-19-13-8-5-9-17-15(13)20-16/h3-9H,2,10H2,1H3,(H,18,21)(H,17,19,20)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8I4V8
Entrez Gene ID
NCBI Entrez Gene ID:
811507
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓