Browse entries in the PDBbind-CN Database
HEADER 5KCB_COMPLEX COMPND 5KCB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET GLU TYR GLN LEU GLN GLN LEU ALA SER LEU THR LEU SEQRES 2 A 165 VAL GLY ILE LYS GLU THR TYR GLU ASN GLY ARG GLN ALA SEQRES 3 A 165 GLN GLN HIS ILE ALA GLY PHE TRP GLN ARG CYS TYR GLN SEQRES 4 A 165 GLU GLY VAL ILE ALA ASP LEU GLN LEU LYS ASN ASN GLY SEQRES 5 A 165 ASP LEU ALA GLY ILE LEU GLY LEU CYS ILE PRO GLU LEU SEQRES 6 A 165 ASP GLY LYS MET SER TYR MET ILE ALA VAL THR GLY ASP SEQRES 7 A 165 ASN SER ALA ASP ILE ALA LYS TYR ASP VAL ILE THR LEU SEQRES 8 A 165 ALA SER SER LYS TYR MET VAL PHE GLU ALA GLN GLY ALA SEQRES 9 A 165 VAL PRO LYS ALA VAL GLN GLN LYS MET GLU GLU VAL HIS SEQRES 10 A 165 HIS TYR ILE HIS GLN TYR GLN ALA ASN THR VAL LYS SER SEQRES 11 A 165 ALA PRO PHE PHE GLU LEU TYR GLN ASP GLY ASP THR THR SEQRES 12 A 165 SER GLU LYS TYR ILE THR GLU ILE TRP MET PRO VAL LYS SEQRES 13 A 165 GLY LEU GLU HIS HIS HIS HIS HIS HIS HET ET A 244 45 ATOM 1 N MET A 2 -8.453 22.210 -6.069 1.00 60.91 N ATOM 2 CA MET A 2 -8.763 20.817 -6.318 1.00 59.06 C ATOM 3 C MET A 2 -10.085 20.714 -7.042 1.00 57.36 C ATOM 4 O MET A 2 -10.971 21.519 -6.831 1.00 58.33 O ATOM 5 CB MET A 2 -8.830 20.050 -5.010 1.00 56.42 C ATOM 6 CG MET A 2 -8.820 18.560 -5.208 1.00 53.67 C ATOM 7 SD MET A 2 -8.696 17.609 -3.700 1.00 60.55 S ATOM 8 CE MET A 2 -7.453 18.513 -2.826 1.00 59.07 C ATOM 9 HN3 MET A 2 -9.202 22.631 -5.484 1.00 0.00 H ATOM 10 HN2 MET A 2 -8.392 22.718 -6.975 1.00 0.00 H ATOM 11 HN1 MET A 2 -7.543 22.278 -5.571 1.00 0.00 H ATOM 12 N GLU A 3 -10.213 19.717 -7.897 1.00 55.32 N ATOM 13 CA GLU A 3 -11.434 19.517 -8.650 1.00 55.15 C ATOM 14 C GLU A 3 -12.520 18.781 -7.873 1.00 49.61 C ATOM 15 O GLU A 3 -12.262 17.770 -7.262 1.00 46.93 O ATOM 16 CB GLU A 3 -11.130 18.718 -9.907 1.00 60.71 C ATOM 17 CG GLU A 3 -10.474 19.493 -11.028 1.00 68.49 C ATOM 18 CD GLU A 3 -10.487 18.712 -12.319 1.00 74.05 C ATOM 19 OE1 GLU A 3 -10.073 17.544 -12.306 1.00 73.49 O ATOM 20 OE2 GLU A 3 -10.921 19.265 -13.342 1.00 78.46 O ATOM 21 H GLU A 3 -9.419 19.060 -8.033 1.00 0.00 H ATOM 22 N TYR A 4 -13.736 19.300 -7.911 1.00 48.24 N ATOM 23 CA TYR A 4 -14.865 18.671 -7.249 1.00 44.86 C ATOM 24 C TYR A 4 -16.175 19.106 -7.874 1.00 46.35 C ATOM 25 O TYR A 4 -16.250 20.127 -8.533 1.00 48.13 O ATOM 26 CB TYR A 4 -14.866 18.953 -5.748 1.00 41.29 C ATOM 27 CG TYR A 4 -15.182 20.362 -5.357 1.00 41.11 C ATOM 28 CD1 TYR A 4 -16.481 20.796 -5.255 1.00 39.53 C ATOM 29 CD2 TYR A 4 -14.180 21.254 -5.059 1.00 41.51 C ATOM 30 CE1 TYR A 4 -16.771 22.087 -4.888 1.00 39.51 C ATOM 31 CE2 TYR A 4 -14.461 22.545 -4.693 1.00 41.29 C ATOM 32 CZ TYR A 4 -15.762 22.953 -4.609 1.00 40.32 C ATOM 33 OH TYR A 4 -16.068 24.222 -4.235 1.00 41.11 O ATOM 34 HH TYR A 4 -15.711 24.393 -3.328 1.00 0.00 H ATOM 35 H TYR A 4 -13.888 20.187 -8.432 1.00 0.00 H ATOM 36 N GLN A 5 -17.212 18.324 -7.643 1.00 47.78 N ATOM 37 CA GLN A 5 -18.524 18.620 -8.157 1.00 52.59 C ATOM 38 C GLN A 5 -19.490 18.777 -7.017 1.00 47.26 C ATOM 39 O GLN A 5 -19.363 18.121 -6.010 1.00 43.50 O ATOM 40 CB GLN A 5 -19.028 17.504 -9.061 1.00 63.58 C ATOM 41 CG GLN A 5 -18.570 17.569 -10.498 1.00 76.52 C ATOM 42 CD GLN A 5 -19.071 16.389 -11.295 1.00 86.73 C ATOM 43 OE1 GLN A 5 -18.601 15.271 -11.131 1.00 89.81 O ATOM 44 NE2 GLN A 5 -20.039 16.632 -12.151 1.00 91.24 N ATOM 45 HE22 GLN A 5 -20.408 17.598 -12.258 1.00 0.00 H ATOM 46 HE21 GLN A 5 -20.435 15.858 -12.721 1.00 0.00 H ATOM 47 H GLN A 5 -17.078 17.466 -7.071 1.00 0.00 H ATOM 48 N LEU A 6 -20.474 19.641 -7.195 1.00 47.97 N ATOM 49 CA LEU A 6 -21.465 19.855 -6.172 1.00 47.63 C ATOM 50 C LEU A 6 -22.660 18.995 -6.450 1.00 48.68 C ATOM 51 O LEU A 6 -23.261 19.090 -7.497 1.00 49.50 O ATOM 52 CB LEU A 6 -21.915 21.304 -6.163 1.00 48.98 C ATOM 53 CG LEU A 6 -20.866 22.348 -5.873 1.00 51.44 C ATOM 54 CD1 LEU A 6 -21.384 23.735 -6.183 1.00 54.16 C ATOM 55 CD2 LEU A 6 -20.475 22.237 -4.422 1.00 49.76 C ATOM 56 H LEU A 6 -20.534 20.174 -8.086 1.00 0.00 H ATOM 57 N GLN A 7 -23.007 18.152 -5.498 1.00 50.37 N ATOM 58 CA GLN A 7 -24.154 17.288 -5.634 1.00 53.59 C ATOM 59 C GLN A 7 -24.977 17.347 -4.369 1.00 46.68 C ATOM 60 O GLN A 7 -24.487 17.701 -3.314 1.00 43.12 O ATOM 61 CB GLN A 7 -23.741 15.857 -5.951 1.00 62.99 C ATOM 62 CG GLN A 7 -22.930 15.705 -7.228 1.00 74.06 C ATOM 63 CD GLN A 7 -23.776 15.527 -8.469 1.00 84.29 C ATOM 64 OE1 GLN A 7 -23.240 15.330 -9.556 1.00 87.44 O ATOM 65 NE2 GLN A 7 -25.094 15.567 -8.319 1.00 88.87 N ATOM 66 HE22 GLN A 7 -25.505 15.737 -7.379 1.00 0.00 H ATOM 67 HE21 GLN A 7 -25.715 15.429 -9.141 1.00 0.00 H ATOM 68 H GLN A 7 -22.440 18.109 -4.627 1.00 0.00 H ATOM 69 N GLN A 8 -26.240 16.999 -4.497 1.00 45.66 N ATOM 70 CA GLN A 8 -27.156 17.021 -3.391 1.00 45.62 C ATOM 71 C GLN A 8 -27.919 15.716 -3.327 1.00 42.12 C ATOM 72 O GLN A 8 -28.168 15.087 -4.330 1.00 41.58 O ATOM 73 CB GLN A 8 -28.113 18.198 -3.542 1.00 51.82 C ATOM 74 CG GLN A 8 -29.291 18.175 -2.600 1.00 58.05 C ATOM 75 CD GLN A 8 -29.988 19.508 -2.492 1.00 65.02 C ATOM 76 OE1 GLN A 8 -29.950 20.313 -3.407 1.00 68.90 O ATOM 77 NE2 GLN A 8 -30.622 19.747 -1.366 1.00 66.45 N ATOM 78 HE22 GLN A 8 -30.629 19.032 -0.611 1.00 0.00 H ATOM 79 HE21 GLN A 8 -31.117 20.652 -1.230 1.00 0.00 H ATOM 80 H GLN A 8 -26.586 16.698 -5.430 1.00 0.00 H ATOM 81 N LEU A 9 -28.269 15.305 -2.126 1.00 40.31 N ATOM 82 CA LEU A 9 -29.008 14.094 -1.933 1.00 37.47 C ATOM 83 C LEU A 9 -30.164 14.306 -1.010 1.00 35.06 C ATOM 84 O LEU A 9 -30.069 15.015 -0.027 1.00 33.30 O ATOM 85 CB LEU A 9 -28.140 13.017 -1.300 1.00 34.49 C ATOM 86 CG LEU A 9 -26.990 12.410 -2.071 1.00 31.60 C ATOM 87 CD1 LEU A 9 -26.309 11.418 -1.155 1.00 28.58 C ATOM 88 CD2 LEU A 9 -27.488 11.756 -3.335 1.00 31.95 C ATOM 89 H LEU A 9 -28.002 15.874 -1.297 1.00 0.00 H ATOM 90 N ALA A 10 -31.256 13.654 -1.342 1.00 35.78 N ATOM 91 CA ALA A 10 -32.439 13.659 -0.540 1.00 36.56 C ATOM 92 C ALA A 10 -32.236 12.573 0.490 1.00 33.77 C ATOM 93 O ALA A 10 -31.315 11.801 0.386 1.00 29.95 O ATOM 94 CB ALA A 10 -33.660 13.380 -1.389 1.00 39.67 C ATOM 95 H ALA A 10 -31.259 13.110 -2.228 1.00 0.00 H ATOM 96 N SER A 11 -33.120 12.494 1.459 1.00 35.28 N ATOM 97 CA SER A 11 -33.011 11.490 2.487 1.00 38.68 C ATOM 98 C SER A 11 -33.043 10.106 1.861 1.00 36.43 C ATOM 99 O SER A 11 -33.814 9.854 0.961 1.00 34.81 O ATOM 100 CB SER A 11 -34.160 11.633 3.459 1.00 45.73 C ATOM 101 OG SER A 11 -33.941 10.870 4.617 1.00 49.27 O ATOM 102 HG SER A 11 -34.707 10.982 5.234 1.00 0.00 H ATOM 103 H SER A 11 -33.912 13.168 1.484 1.00 0.00 H ATOM 104 N LEU A 12 -32.180 9.221 2.342 1.00 36.36 N ATOM 105 CA LEU A 12 -32.086 7.869 1.815 1.00 36.77 C ATOM 106 C LEU A 12 -31.999 6.782 2.857 1.00 34.74 C ATOM 107 O LEU A 12 -31.459 6.978 3.924 1.00 34.22 O ATOM 108 CB LEU A 12 -30.838 7.746 0.971 1.00 37.40 C ATOM 109 CG LEU A 12 -30.810 8.451 -0.357 1.00 40.05 C ATOM 110 CD1 LEU A 12 -29.403 8.564 -0.869 1.00 38.89 C ATOM 111 CD2 LEU A 12 -31.685 7.711 -1.340 1.00 42.37 C ATOM 112 H LEU A 12 -31.551 9.503 3.121 1.00 0.00 H ATOM 113 N THR A 13 -32.510 5.613 2.509 1.00 34.15 N ATOM 114 CA THR A 13 -32.440 4.466 3.381 1.00 34.57 C ATOM 115 C THR A 13 -31.279 3.615 2.890 1.00 32.74 C ATOM 116 O THR A 13 -31.192 3.306 1.722 1.00 33.61 O ATOM 117 CB THR A 13 -33.712 3.632 3.339 1.00 37.79 C ATOM 118 OG1 THR A 13 -34.827 4.443 3.680 1.00 41.64 O ATOM 119 CG2 THR A 13 -33.618 2.516 4.302 1.00 37.64 C ATOM 120 HG1 THR A 13 -35.652 3.897 3.651 1.00 0.00 H ATOM 121 H THR A 13 -32.974 5.518 1.583 1.00 0.00 H ATOM 122 N LEU A 14 -30.378 3.266 3.790 1.00 30.32 N ATOM 123 CA LEU A 14 -29.214 2.462 3.452 1.00 28.99 C ATOM 124 C LEU A 14 -29.226 1.126 4.183 1.00 31.12 C ATOM 125 O LEU A 14 -29.475 1.062 5.368 1.00 32.44 O ATOM 126 CB LEU A 14 -27.908 3.185 3.753 1.00 27.89 C ATOM 127 CG LEU A 14 -27.536 4.506 3.100 1.00 30.67 C ATOM 128 CD1 LEU A 14 -26.216 4.955 3.651 1.00 29.86 C ATOM 129 CD2 LEU A 14 -27.460 4.436 1.599 1.00 35.16 C ATOM 130 H LEU A 14 -30.505 3.577 4.774 1.00 0.00 H ATOM 131 N VAL A 15 -28.935 0.068 3.443 1.00 31.37 N ATOM 132 CA VAL A 15 -28.923 -1.283 3.970 1.00 30.20 C ATOM 133 C VAL A 15 -27.531 -1.904 3.875 1.00 28.22 C ATOM 134 O VAL A 15 -26.904 -1.851 2.841 1.00 27.91 O ATOM 135 CB VAL A 15 -29.925 -2.162 3.201 1.00 31.53 C ATOM 136 CG1 VAL A 15 -30.012 -3.532 3.822 1.00 32.63 C ATOM 137 CG2 VAL A 15 -31.285 -1.509 3.149 1.00 34.00 C ATOM 138 H VAL A 15 -28.705 0.212 2.439 1.00 0.00 H ATOM 139 N GLY A 16 -27.067 -2.503 4.957 1.00 26.27 N ATOM 140 CA GLY A 16 -25.750 -3.094 4.967 1.00 24.68 C ATOM 141 C GLY A 16 -25.258 -3.540 6.316 1.00 25.41 C ATOM 142 O GLY A 16 -26.026 -3.954 7.161 1.00 27.19 O ATOM 143 H GLY A 16 -27.658 -2.549 5.812 1.00 0.00 H ATOM 144 N ILE A 17 -23.951 -3.486 6.498 1.00 24.15 N ATOM 145 CA ILE A 17 -23.352 -3.868 7.751 1.00 22.76 C ATOM 146 C ILE A 17 -22.418 -2.795 8.292 1.00 22.79 C ATOM 147 O ILE A 17 -21.573 -2.286 7.591 1.00 22.23 O ATOM 148 CB ILE A 17 -22.611 -5.213 7.661 1.00 24.26 C ATOM 149 CG1 ILE A 17 -23.586 -6.320 7.305 1.00 26.92 C ATOM 150 CG2 ILE A 17 -21.915 -5.519 8.971 1.00 23.29 C ATOM 151 CD1 ILE A 17 -22.927 -7.618 6.991 1.00 29.71 C ATOM 152 H ILE A 17 -23.342 -3.161 5.720 1.00 0.00 H ATOM 153 N LYS A 18 -22.590 -2.488 9.566 1.00 24.10 N ATOM 154 CA LYS A 18 -21.775 -1.502 10.239 1.00 25.84 C ATOM 155 C LYS A 18 -20.917 -2.095 11.340 1.00 23.86 C ATOM 156 O LYS A 18 -21.396 -2.782 12.219 1.00 24.29 O ATOM 157 CB LYS A 18 -22.645 -0.419 10.856 1.00 30.85 C ATOM 158 CG LYS A 18 -21.854 0.658 11.566 1.00 36.43 C ATOM 159 CD LYS A 18 -22.744 1.684 12.228 1.00 41.31 C ATOM 160 CE LYS A 18 -23.326 1.170 13.523 1.00 45.52 C ATOM 161 NZ LYS A 18 -24.201 2.163 14.172 1.00 47.77 N ATOM 162 HZ1 LYS A 18 -23.653 3.022 14.381 1.00 0.00 H ATOM 163 HZ2 LYS A 18 -24.988 2.399 13.534 1.00 0.00 H ATOM 164 HZ3 LYS A 18 -24.577 1.766 15.057 1.00 0.00 H ATOM 165 H LYS A 18 -23.337 -2.973 10.103 1.00 0.00 H ATOM 166 N GLU A 19 -19.638 -1.788 11.275 1.00 21.76 N ATOM 167 CA GLU A 19 -18.683 -2.200 12.278 1.00 22.19 C ATOM 168 C GLU A 19 -18.146 -0.935 12.959 1.00 24.91 C ATOM 169 O GLU A 19 -18.190 0.129 12.389 1.00 25.17 O ATOM 170 CB GLU A 19 -17.576 -3.055 11.685 1.00 22.75 C ATOM 171 CG GLU A 19 -17.981 -4.516 11.536 1.00 22.38 C ATOM 172 CD GLU A 19 -16.854 -5.463 11.142 1.00 24.76 C ATOM 173 OE1 GLU A 19 -15.718 -5.037 10.964 1.00 22.72 O ATOM 174 OE2 GLU A 19 -17.123 -6.660 11.039 1.00 23.30 O ATOM 175 H GLU A 19 -19.301 -1.225 10.468 1.00 0.00 H ATOM 176 N THR A 20 -17.674 -1.076 14.187 1.00 26.01 N ATOM 177 CA THR A 20 -17.168 0.034 14.979 1.00 25.57 C ATOM 178 C THR A 20 -15.738 -0.209 15.447 1.00 24.99 C ATOM 179 O THR A 20 -15.421 -1.258 15.948 1.00 24.25 O ATOM 180 CB THR A 20 -18.088 0.289 16.190 1.00 26.63 C ATOM 181 OG1 THR A 20 -19.430 0.460 15.753 1.00 25.79 O ATOM 182 CG2 THR A 20 -17.666 1.506 16.970 1.00 28.68 C ATOM 183 HG1 THR A 20 -20.013 0.623 16.537 1.00 0.00 H ATOM 184 H THR A 20 -17.664 -2.028 14.607 1.00 0.00 H ATOM 185 N TYR A 21 -14.899 0.797 15.271 1.00 25.76 N ATOM 186 CA TYR A 21 -13.486 0.767 15.626 1.00 27.16 C ATOM 187 C TYR A 21 -13.138 1.926 16.580 1.00 29.59 C ATOM 188 O TYR A 21 -13.864 2.896 16.689 1.00 26.25 O ATOM 189 CB TYR A 21 -12.610 0.802 14.374 1.00 27.60 C ATOM 190 CG TYR A 21 -13.067 -0.125 13.273 1.00 26.95 C ATOM 191 CD1 TYR A 21 -12.793 -1.470 13.315 1.00 26.38 C ATOM 192 CD2 TYR A 21 -13.784 0.350 12.209 1.00 27.50 C ATOM 193 CE1 TYR A 21 -13.213 -2.315 12.323 1.00 25.69 C ATOM 194 CE2 TYR A 21 -14.212 -0.480 11.215 1.00 26.77 C ATOM 195 CZ TYR A 21 -13.928 -1.820 11.277 1.00 25.73 C ATOM 196 OH TYR A 21 -14.362 -2.640 10.290 1.00 25.54 O ATOM 197 HH TYR A 21 -14.076 -3.568 10.484 1.00 0.00 H ATOM 198 H TYR A 21 -15.273 1.671 14.850 1.00 0.00 H ATOM 199 N GLU A 22 -12.007 1.818 17.256 1.00 35.35 N ATOM 200 CA GLU A 22 -11.621 2.808 18.251 1.00 43.02 C ATOM 201 C GLU A 22 -11.482 4.225 17.728 1.00 40.59 C ATOM 202 O GLU A 22 -11.896 5.144 18.376 1.00 40.78 O ATOM 203 CB GLU A 22 -10.318 2.395 18.929 1.00 55.59 C ATOM 204 CG GLU A 22 -10.404 1.089 19.680 1.00 65.59 C ATOM 205 CD GLU A 22 -11.443 1.117 20.779 1.00 72.70 C ATOM 206 OE1 GLU A 22 -11.428 2.067 21.578 1.00 76.50 O ATOM 207 OE2 GLU A 22 -12.270 0.195 20.840 1.00 73.71 O ATOM 208 H GLU A 22 -11.380 1.009 17.073 1.00 0.00 H ATOM 209 N ASN A 23 -10.900 4.385 16.561 1.00 38.18 N ATOM 210 CA ASN A 23 -10.704 5.689 15.973 1.00 38.30 C ATOM 211 C ASN A 23 -10.413 5.562 14.497 1.00 39.87 C ATOM 212 O ASN A 23 -10.422 4.474 13.968 1.00 39.81 O ATOM 213 CB ASN A 23 -9.558 6.396 16.659 1.00 37.24 C ATOM 214 CG ASN A 23 -8.278 5.620 16.567 1.00 36.51 C ATOM 215 OD1 ASN A 23 -7.926 5.149 15.514 1.00 37.18 O ATOM 216 ND2 ASN A 23 -7.581 5.492 17.671 1.00 36.01 N ATOM 217 HD22 ASN A 23 -7.926 5.916 18.556 1.00 0.00 H ATOM 218 HD21 ASN A 23 -6.684 4.966 17.661 1.00 0.00 H ATOM 219 H ASN A 23 -10.570 3.545 16.044 1.00 0.00 H ATOM 220 N GLY A 24 -10.128 6.679 13.851 1.00 40.72 N ATOM 221 CA GLY A 24 -9.848 6.686 12.436 1.00 40.32 C ATOM 222 C GLY A 24 -8.651 5.867 12.042 1.00 41.05 C ATOM 223 O GLY A 24 -8.688 5.176 11.040 1.00 42.88 O ATOM 224 H GLY A 24 -10.105 7.576 14.376 1.00 0.00 H ATOM 225 N ARG A 25 -7.590 5.935 12.822 1.00 40.53 N ATOM 226 CA ARG A 25 -6.396 5.165 12.520 1.00 41.92 C ATOM 227 C ARG A 25 -6.637 3.661 12.589 1.00 41.36 C ATOM 228 O ARG A 25 -6.203 2.912 11.733 1.00 41.54 O ATOM 229 CB ARG A 25 -5.285 5.526 13.492 1.00 44.57 C ATOM 230 CG ARG A 25 -3.984 4.801 13.263 1.00 48.59 C ATOM 231 CD ARG A 25 -2.945 5.278 14.245 1.00 54.70 C ATOM 232 NE ARG A 25 -1.624 4.772 13.944 1.00 62.26 N ATOM 233 CZ ARG A 25 -1.162 3.621 14.398 1.00 68.99 C ATOM 234 NH1 ARG A 25 -1.914 2.860 15.173 1.00 69.96 N ATOM 235 NH2 ARG A 25 0.057 3.230 14.083 1.00 73.84 N ATOM 236 HE ARG A 25 -1.004 5.346 13.337 1.00 0.00 H ATOM 237 HH12 ARG A 25 -1.545 1.955 15.528 1.00 0.00 H ATOM 238 HH11 ARG A 25 -2.875 3.166 15.428 1.00 0.00 H ATOM 239 HH22 ARG A 25 0.421 2.324 14.440 1.00 0.00 H ATOM 240 HH21 ARG A 25 0.655 3.828 13.477 1.00 0.00 H ATOM 241 H ARG A 25 -7.608 6.547 13.663 1.00 0.00 H ATOM 242 N GLN A 26 -7.322 3.234 13.628 1.00 42.23 N ATOM 243 CA GLN A 26 -7.622 1.835 13.811 1.00 41.91 C ATOM 244 C GLN A 26 -8.526 1.337 12.694 1.00 41.50 C ATOM 245 O GLN A 26 -8.366 0.232 12.219 1.00 41.99 O ATOM 246 CB GLN A 26 -8.247 1.564 15.177 1.00 41.16 C ATOM 247 CG GLN A 26 -7.275 1.671 16.324 1.00 42.64 C ATOM 248 CD GLN A 26 -6.050 0.819 16.122 1.00 42.57 C ATOM 249 OE1 GLN A 26 -6.141 -0.388 16.021 1.00 40.37 O ATOM 250 NE2 GLN A 26 -4.899 1.451 16.059 1.00 45.27 N ATOM 251 HE22 GLN A 26 -4.869 2.487 16.151 1.00 0.00 H ATOM 252 HE21 GLN A 26 -4.019 0.915 15.917 1.00 0.00 H ATOM 253 H GLN A 26 -7.655 3.921 14.334 1.00 0.00 H ATOM 254 N ALA A 27 -9.459 2.178 12.277 1.00 41.92 N ATOM 255 CA ALA A 27 -10.399 1.816 11.234 1.00 43.12 C ATOM 256 C ALA A 27 -9.689 1.497 9.937 1.00 47.29 C ATOM 257 O ALA A 27 -10.051 0.563 9.254 1.00 45.40 O ATOM 258 CB ALA A 27 -11.405 2.928 11.013 1.00 42.82 C ATOM 259 H ALA A 27 -9.519 3.122 12.708 1.00 0.00 H ATOM 260 N GLN A 28 -8.678 2.284 9.608 1.00 52.15 N ATOM 261 CA GLN A 28 -7.918 2.083 8.390 1.00 54.62 C ATOM 262 C GLN A 28 -7.214 0.737 8.429 1.00 51.36 C ATOM 263 O GLN A 28 -7.101 0.059 7.427 1.00 51.12 O ATOM 264 CB GLN A 28 -6.986 3.255 8.132 1.00 60.46 C ATOM 265 CG GLN A 28 -7.749 4.504 7.730 1.00 65.17 C ATOM 266 CD GLN A 28 -8.479 4.350 6.401 1.00 68.32 C ATOM 267 OE1 GLN A 28 -7.922 3.857 5.426 1.00 70.63 O ATOM 268 NE2 GLN A 28 -9.726 4.776 6.363 1.00 68.39 N ATOM 269 HE22 GLN A 28 -10.161 5.188 7.213 1.00 0.00 H ATOM 270 HE21 GLN A 28 -10.275 4.700 5.483 1.00 0.00 H ATOM 271 H GLN A 28 -8.421 3.069 10.241 1.00 0.00 H ATOM 272 N GLN A 29 -6.769 0.341 9.606 1.00 50.06 N ATOM 273 CA GLN A 29 -6.133 -0.944 9.766 1.00 51.62 C ATOM 274 C GLN A 29 -7.108 -2.091 9.458 1.00 44.46 C ATOM 275 O GLN A 29 -6.727 -3.085 8.886 1.00 42.86 O ATOM 276 CB GLN A 29 -5.601 -1.118 11.192 1.00 62.38 C ATOM 277 CG GLN A 29 -4.324 -0.359 11.535 1.00 74.01 C ATOM 278 CD GLN A 29 -3.746 -0.757 12.884 1.00 83.54 C ATOM 279 OE1 GLN A 29 -2.976 -0.013 13.478 1.00 87.22 O ATOM 280 NE2 GLN A 29 -4.119 -1.932 13.373 1.00 89.18 N ATOM 281 HE22 GLN A 29 -4.775 -2.534 12.836 1.00 0.00 H ATOM 282 HE21 GLN A 29 -3.755 -2.251 14.293 1.00 0.00 H ATOM 283 H GLN A 29 -6.878 0.965 10.431 1.00 0.00 H ATOM 284 N HIS A 30 -8.359 -1.960 9.869 1.00 41.47 N ATOM 285 CA HIS A 30 -9.337 -3.019 9.671 1.00 38.97 C ATOM 286 C HIS A 30 -10.339 -2.951 8.513 1.00 35.90 C ATOM 287 O HIS A 30 -10.970 -3.943 8.209 1.00 36.53 O ATOM 288 CB HIS A 30 -10.149 -3.163 10.951 1.00 40.60 C ATOM 289 CG HIS A 30 -9.318 -3.320 12.177 1.00 43.57 C ATOM 290 ND1 HIS A 30 -8.613 -4.464 12.454 1.00 44.89 N ATOM 291 CD2 HIS A 30 -9.082 -2.478 13.204 1.00 45.01 C ATOM 292 CE1 HIS A 30 -7.974 -4.319 13.595 1.00 46.50 C ATOM 293 NE2 HIS A 30 -8.242 -3.123 14.072 1.00 46.47 N ATOM 294 H HIS A 30 -8.649 -1.081 10.344 1.00 0.00 H ATOM 295 N ILE A 31 -10.487 -1.806 7.874 1.00 31.10 N ATOM 296 CA ILE A 31 -11.471 -1.651 6.810 1.00 29.07 C ATOM 297 C ILE A 31 -11.246 -2.608 5.642 1.00 29.58 C ATOM 298 O ILE A 31 -12.184 -3.195 5.148 1.00 27.88 O ATOM 299 CB ILE A 31 -11.531 -0.171 6.335 1.00 37.81 C ATOM 300 CG1 ILE A 31 -12.340 0.666 7.315 1.00 36.62 C ATOM 301 CG2 ILE A 31 -12.157 -0.003 4.964 1.00 38.57 C ATOM 302 CD1 ILE A 31 -11.971 2.121 7.321 1.00 36.60 C ATOM 303 H ILE A 31 -9.889 -0.997 8.135 1.00 0.00 H ATOM 304 N ALA A 32 -10.003 -2.775 5.229 1.00 30.35 N ATOM 305 CA ALA A 32 -9.706 -3.657 4.121 1.00 31.92 C ATOM 306 C ALA A 32 -10.150 -5.057 4.481 1.00 31.16 C ATOM 307 O ALA A 32 -10.709 -5.749 3.669 1.00 31.09 O ATOM 308 CB ALA A 32 -8.234 -3.611 3.773 1.00 34.16 C ATOM 309 H ALA A 32 -9.230 -2.268 5.705 1.00 0.00 H ATOM 310 N GLY A 33 -9.914 -5.448 5.720 1.00 30.70 N ATOM 311 CA GLY A 33 -10.325 -6.740 6.217 1.00 30.13 C ATOM 312 C GLY A 33 -11.829 -6.929 6.238 1.00 28.93 C ATOM 313 O GLY A 33 -12.315 -7.999 5.947 1.00 28.60 O ATOM 314 H GLY A 33 -9.413 -4.801 6.362 1.00 0.00 H ATOM 315 N PHE A 34 -12.550 -5.879 6.609 1.00 25.46 N ATOM 316 CA PHE A 34 -14.000 -5.893 6.673 1.00 24.04 C ATOM 317 C PHE A 34 -14.549 -6.125 5.269 1.00 25.33 C ATOM 318 O PHE A 34 -15.439 -6.911 5.079 1.00 25.93 O ATOM 319 CB PHE A 34 -14.493 -4.569 7.288 1.00 22.59 C ATOM 320 CG PHE A 34 -15.981 -4.443 7.427 1.00 24.45 C ATOM 321 CD1 PHE A 34 -16.776 -5.534 7.677 1.00 25.74 C ATOM 322 CD2 PHE A 34 -16.580 -3.203 7.357 1.00 23.85 C ATOM 323 CE1 PHE A 34 -18.136 -5.398 7.826 1.00 26.71 C ATOM 324 CE2 PHE A 34 -17.939 -3.062 7.497 1.00 24.46 C ATOM 325 CZ PHE A 34 -18.715 -4.164 7.722 1.00 26.31 C ATOM 326 H PHE A 34 -12.052 -5.003 6.867 1.00 0.00 H ATOM 327 N TRP A 35 -13.991 -5.442 4.289 1.00 25.12 N ATOM 328 CA TRP A 35 -14.414 -5.620 2.921 1.00 26.54 C ATOM 329 C TRP A 35 -14.148 -7.063 2.493 1.00 30.20 C ATOM 330 O TRP A 35 -14.986 -7.684 1.876 1.00 28.15 O ATOM 331 CB TRP A 35 -13.665 -4.682 1.994 1.00 26.83 C ATOM 332 CG TRP A 35 -14.210 -3.309 1.888 1.00 28.20 C ATOM 333 CD1 TRP A 35 -13.759 -2.210 2.522 1.00 29.48 C ATOM 334 CD2 TRP A 35 -15.297 -2.878 1.072 1.00 30.48 C ATOM 335 NE1 TRP A 35 -14.494 -1.126 2.174 1.00 30.33 N ATOM 336 CE2 TRP A 35 -15.447 -1.507 1.278 1.00 30.98 C ATOM 337 CE3 TRP A 35 -16.158 -3.521 0.193 1.00 33.48 C ATOM 338 CZ2 TRP A 35 -16.411 -0.772 0.643 1.00 32.29 C ATOM 339 CZ3 TRP A 35 -17.112 -2.795 -0.429 1.00 35.60 C ATOM 340 CH2 TRP A 35 -17.235 -1.433 -0.210 1.00 34.15 C ATOM 341 HE1 TRP A 35 -14.353 -0.160 2.533 1.00 0.00 H ATOM 342 H TRP A 35 -13.233 -4.763 4.506 1.00 0.00 H ATOM 343 N GLN A 36 -12.973 -7.577 2.848 1.00 36.23 N ATOM 344 CA GLN A 36 -12.579 -8.935 2.498 1.00 41.78 C ATOM 345 C GLN A 36 -13.545 -9.934 3.111 1.00 30.66 C ATOM 346 O GLN A 36 -13.956 -10.859 2.453 1.00 29.12 O ATOM 347 CB GLN A 36 -11.128 -9.214 2.920 1.00 60.56 C ATOM 348 CG GLN A 36 -10.100 -8.767 1.889 1.00 78.40 C ATOM 349 CD GLN A 36 -8.724 -8.400 2.450 1.00 93.28 C ATOM 350 OE1 GLN A 36 -8.272 -8.930 3.468 1.00 98.63 O ATOM 351 NE2 GLN A 36 -8.043 -7.498 1.760 1.00 98.36 N ATOM 352 HE22 GLN A 36 -8.459 -7.074 0.906 1.00 0.00 H ATOM 353 HE21 GLN A 36 -7.092 -7.214 2.072 1.00 0.00 H ATOM 354 H GLN A 36 -12.313 -6.988 3.395 1.00 0.00 H ATOM 355 N ARG A 37 -13.911 -9.730 4.364 1.00 27.15 N ATOM 356 CA ARG A 37 -14.854 -10.605 5.023 1.00 26.74 C ATOM 357 C ARG A 37 -16.241 -10.551 4.374 1.00 24.52 C ATOM 358 O ARG A 37 -16.899 -11.563 4.228 1.00 24.98 O ATOM 359 CB ARG A 37 -14.930 -10.322 6.525 1.00 26.41 C ATOM 360 CG ARG A 37 -13.781 -10.918 7.323 1.00 27.04 C ATOM 361 CD ARG A 37 -13.886 -10.645 8.809 1.00 26.86 C ATOM 362 NE ARG A 37 -13.512 -9.287 9.155 1.00 26.35 N ATOM 363 CZ ARG A 37 -14.348 -8.369 9.605 1.00 27.19 C ATOM 364 NH1 ARG A 37 -15.610 -8.646 9.781 1.00 25.79 N ATOM 365 NH2 ARG A 37 -13.905 -7.173 9.885 1.00 28.07 N ATOM 366 HE ARG A 37 -12.514 -9.017 9.041 1.00 0.00 H ATOM 367 HH12 ARG A 37 -16.258 -7.914 10.136 1.00 0.00 H ATOM 368 HH11 ARG A 37 -15.968 -9.599 9.566 1.00 0.00 H ATOM 369 HH22 ARG A 37 -14.559 -6.446 10.240 1.00 0.00 H ATOM 370 HH21 ARG A 37 -12.898 -6.947 9.753 1.00 0.00 H ATOM 371 H ARG A 37 -13.513 -8.924 4.887 1.00 0.00 H ATOM 372 N CYS A 38 -16.677 -9.353 4.010 1.00 23.98 N ATOM 373 CA CYS A 38 -17.973 -9.167 3.375 1.00 24.08 C ATOM 374 C CYS A 38 -18.038 -9.869 2.010 1.00 28.12 C ATOM 375 O CYS A 38 -19.028 -10.478 1.694 1.00 29.57 O ATOM 376 CB CYS A 38 -18.350 -7.677 3.288 1.00 23.37 C ATOM 377 SG CYS A 38 -19.008 -6.961 4.808 1.00 22.79 S ATOM 378 H CYS A 38 -16.076 -8.522 4.183 1.00 0.00 H ATOM 379 N TYR A 39 -16.984 -9.773 1.215 1.00 28.79 N ATOM 380 CA TYR A 39 -16.942 -10.457 -0.066 1.00 29.57 C ATOM 381 C TYR A 39 -16.944 -11.987 0.099 1.00 30.50 C ATOM 382 O TYR A 39 -17.681 -12.692 -0.560 1.00 30.77 O ATOM 383 CB TYR A 39 -15.698 -10.056 -0.850 1.00 30.46 C ATOM 384 CG TYR A 39 -15.869 -8.872 -1.764 1.00 32.40 C ATOM 385 CD1 TYR A 39 -16.716 -8.928 -2.853 1.00 34.61 C ATOM 386 CD2 TYR A 39 -15.168 -7.713 -1.555 1.00 32.82 C ATOM 387 CE1 TYR A 39 -16.875 -7.850 -3.684 1.00 36.11 C ATOM 388 CE2 TYR A 39 -15.314 -6.635 -2.384 1.00 34.05 C ATOM 389 CZ TYR A 39 -16.171 -6.705 -3.446 1.00 36.58 C ATOM 390 OH TYR A 39 -16.308 -5.623 -4.265 1.00 39.09 O ATOM 391 HH TYR A 39 -16.960 -5.832 -4.980 1.00 0.00 H ATOM 392 H TYR A 39 -16.171 -9.197 1.513 1.00 0.00 H ATOM 393 N GLN A 40 -16.108 -12.463 1.011 1.00 29.20 N ATOM 394 CA GLN A 40 -15.946 -13.882 1.278 1.00 31.38 C ATOM 395 C GLN A 40 -17.206 -14.551 1.759 1.00 31.01 C ATOM 396 O GLN A 40 -17.498 -15.654 1.356 1.00 32.66 O ATOM 397 CB GLN A 40 -14.823 -14.110 2.294 1.00 33.65 C ATOM 398 CG GLN A 40 -14.553 -15.561 2.623 1.00 38.57 C ATOM 399 CD GLN A 40 -13.258 -15.777 3.367 1.00 42.15 C ATOM 400 OE1 GLN A 40 -12.353 -14.964 3.324 1.00 44.11 O ATOM 401 NE2 GLN A 40 -13.170 -16.891 4.041 1.00 43.16 N ATOM 402 HE22 GLN A 40 -13.968 -17.558 4.050 1.00 0.00 H ATOM 403 HE21 GLN A 40 -12.302 -17.112 4.569 1.00 0.00 H ATOM 404 H GLN A 40 -15.540 -11.788 1.562 1.00 0.00 H ATOM 405 N GLU A 41 -17.959 -13.872 2.603 1.00 28.07 N ATOM 406 CA GLU A 41 -19.182 -14.416 3.152 1.00 28.98 C ATOM 407 C GLU A 41 -20.390 -14.193 2.238 1.00 30.65 C ATOM 408 O GLU A 41 -21.487 -14.570 2.558 1.00 31.11 O ATOM 409 CB GLU A 41 -19.440 -13.882 4.561 1.00 29.65 C ATOM 410 CG GLU A 41 -18.354 -14.213 5.552 1.00 31.28 C ATOM 411 CD GLU A 41 -18.058 -15.689 5.596 1.00 32.36 C ATOM 412 OE1 GLU A 41 -19.016 -16.458 5.671 1.00 32.41 O ATOM 413 OE2 GLU A 41 -16.886 -16.066 5.547 1.00 30.96 O ATOM 414 H GLU A 41 -17.664 -12.915 2.883 1.00 0.00 H ATOM 415 N GLY A 42 -20.165 -13.579 1.094 1.00 30.75 N ATOM 416 CA GLY A 42 -21.224 -13.318 0.146 1.00 30.85 C ATOM 417 C GLY A 42 -22.109 -12.122 0.441 1.00 29.45 C ATOM 418 O GLY A 42 -23.120 -11.929 -0.199 1.00 27.62 O ATOM 419 H GLY A 42 -19.197 -13.273 0.867 1.00 0.00 H ATOM 420 N VAL A 43 -21.720 -11.320 1.416 1.00 29.21 N ATOM 421 CA VAL A 43 -22.487 -10.155 1.785 1.00 28.63 C ATOM 422 C VAL A 43 -22.567 -9.149 0.655 1.00 29.15 C ATOM 423 O VAL A 43 -23.622 -8.616 0.402 1.00 30.49 O ATOM 424 CB VAL A 43 -21.911 -9.493 3.052 1.00 26.73 C ATOM 425 CG1 VAL A 43 -22.523 -8.128 3.312 1.00 24.20 C ATOM 426 CG2 VAL A 43 -22.144 -10.390 4.241 1.00 25.91 C ATOM 427 H VAL A 43 -20.841 -11.533 1.929 1.00 0.00 H ATOM 428 N ILE A 44 -21.463 -8.902 -0.023 1.00 28.39 N ATOM 429 CA ILE A 44 -21.463 -7.940 -1.097 1.00 28.68 C ATOM 430 C ILE A 44 -22.413 -8.344 -2.215 1.00 28.20 C ATOM 431 O ILE A 44 -23.154 -7.525 -2.715 1.00 26.88 O ATOM 432 CB ILE A 44 -20.065 -7.751 -1.687 1.00 31.04 C ATOM 433 CG1 ILE A 44 -19.071 -7.337 -0.609 1.00 29.87 C ATOM 434 CG2 ILE A 44 -20.091 -6.721 -2.791 1.00 33.28 C ATOM 435 CD1 ILE A 44 -19.395 -6.032 0.054 1.00 28.52 C ATOM 436 H ILE A 44 -20.586 -9.405 0.219 1.00 0.00 H ATOM 437 N ALA A 45 -22.383 -9.612 -2.585 1.00 27.43 N ATOM 438 CA ALA A 45 -23.236 -10.108 -3.647 1.00 30.14 C ATOM 439 C ALA A 45 -24.684 -9.937 -3.264 1.00 31.37 C ATOM 440 O ALA A 45 -25.480 -9.523 -4.067 1.00 32.93 O ATOM 441 CB ALA A 45 -22.939 -11.560 -3.940 1.00 31.18 C ATOM 442 H ALA A 45 -21.734 -10.268 -2.105 1.00 0.00 H ATOM 443 N ASP A 46 -25.009 -10.251 -2.024 1.00 31.26 N ATOM 444 CA ASP A 46 -26.366 -10.116 -1.537 1.00 33.06 C ATOM 445 C ASP A 46 -26.831 -8.651 -1.535 1.00 29.34 C ATOM 446 O ASP A 46 -27.937 -8.352 -1.936 1.00 29.49 O ATOM 447 CB ASP A 46 -26.490 -10.732 -0.155 1.00 37.15 C ATOM 448 CG ASP A 46 -27.910 -11.036 0.227 1.00 43.91 C ATOM 449 OD1 ASP A 46 -28.614 -11.680 -0.558 1.00 48.94 O ATOM 450 OD2 ASP A 46 -28.324 -10.659 1.324 1.00 45.43 O ATOM 451 H ASP A 46 -24.272 -10.604 -1.381 1.00 0.00 H ATOM 452 N LEU A 47 -25.968 -7.750 -1.082 1.00 27.95 N ATOM 453 CA LEU A 47 -26.298 -6.335 -1.011 1.00 28.19 C ATOM 454 C LEU A 47 -26.487 -5.749 -2.394 1.00 30.34 C ATOM 455 O LEU A 47 -27.305 -4.891 -2.589 1.00 32.79 O ATOM 456 CB LEU A 47 -25.234 -5.551 -0.248 1.00 27.24 C ATOM 457 CG LEU A 47 -25.154 -5.775 1.255 1.00 28.44 C ATOM 458 CD1 LEU A 47 -24.044 -4.956 1.867 1.00 29.62 C ATOM 459 CD2 LEU A 47 -26.477 -5.470 1.919 1.00 29.10 C ATOM 460 H LEU A 47 -25.028 -8.065 -0.768 1.00 0.00 H ATOM 461 N GLN A 48 -25.715 -6.237 -3.343 1.00 30.68 N ATOM 462 CA GLN A 48 -25.784 -5.794 -4.714 1.00 33.36 C ATOM 463 C GLN A 48 -27.158 -6.100 -5.323 1.00 33.91 C ATOM 464 O GLN A 48 -27.638 -5.348 -6.139 1.00 34.43 O ATOM 465 CB GLN A 48 -24.659 -6.390 -5.553 1.00 39.05 C ATOM 466 CG GLN A 48 -23.308 -5.702 -5.439 1.00 45.00 C ATOM 467 CD GLN A 48 -22.196 -6.455 -6.144 1.00 51.50 C ATOM 468 OE1 GLN A 48 -22.156 -7.672 -6.138 1.00 53.59 O ATOM 469 NE2 GLN A 48 -21.292 -5.730 -6.746 1.00 53.65 N ATOM 470 HE22 GLN A 48 -21.361 -4.692 -6.728 1.00 0.00 H ATOM 471 HE21 GLN A 48 -20.503 -6.190 -7.243 1.00 0.00 H ATOM 472 H GLN A 48 -25.025 -6.974 -3.093 1.00 0.00 H ATOM 473 N LEU A 49 -27.760 -7.221 -4.950 1.00 35.56 N ATOM 474 CA LEU A 49 -29.073 -7.597 -5.462 1.00 38.32 C ATOM 475 C LEU A 49 -30.074 -6.573 -5.018 1.00 41.60 C ATOM 476 O LEU A 49 -30.894 -6.130 -5.783 1.00 42.07 O ATOM 477 CB LEU A 49 -29.508 -8.948 -4.931 1.00 38.07 C ATOM 478 CG LEU A 49 -28.760 -10.150 -5.462 1.00 38.35 C ATOM 479 CD1 LEU A 49 -29.299 -11.385 -4.786 1.00 38.12 C ATOM 480 CD2 LEU A 49 -28.893 -10.240 -6.961 1.00 40.62 C ATOM 481 H LEU A 49 -27.282 -7.850 -4.273 1.00 0.00 H ATOM 482 N LYS A 50 -29.962 -6.120 -3.766 1.00 45.50 N ATOM 483 CA LYS A 50 -30.883 -5.154 -3.110 1.00 51.47 C ATOM 484 C LYS A 50 -31.021 -3.656 -3.433 1.00 55.32 C ATOM 485 O LYS A 50 -31.988 -3.053 -3.025 1.00 57.45 O ATOM 486 CB LYS A 50 -30.698 -5.216 -1.596 1.00 53.47 C ATOM 487 CG LYS A 50 -30.791 -6.591 -0.996 1.00 58.43 C ATOM 488 CD LYS A 50 -30.899 -6.524 0.505 1.00 62.71 C ATOM 489 CE LYS A 50 -31.287 -7.875 1.047 1.00 67.17 C ATOM 490 NZ LYS A 50 -32.039 -7.787 2.314 1.00 69.79 N ATOM 491 HZ1 LYS A 50 -31.454 -7.312 3.031 1.00 0.00 H ATOM 492 HZ2 LYS A 50 -32.912 -7.242 2.161 1.00 0.00 H ATOM 493 HZ3 LYS A 50 -32.279 -8.745 2.640 1.00 0.00 H ATOM 494 H LYS A 50 -29.163 -6.473 -3.202 1.00 0.00 H ATOM 495 N ASN A 51 -30.074 -3.040 -4.097 1.00 58.05 N ATOM 496 CA ASN A 51 -30.093 -1.605 -4.372 1.00 62.72 C ATOM 497 C ASN A 51 -31.165 -1.266 -5.337 1.00 65.65 C ATOM 498 O ASN A 51 -31.278 -1.857 -6.392 1.00 68.77 O ATOM 499 CB ASN A 51 -28.738 -1.675 -5.088 1.00 65.94 C ATOM 500 CG ASN A 51 -28.275 -0.319 -5.577 1.00 68.37 C ATOM 501 OD1 ASN A 51 -29.028 0.629 -5.542 1.00 69.47 O ATOM 502 ND2 ASN A 51 -27.043 -0.226 -6.028 1.00 69.30 N ATOM 503 HD22 ASN A 51 -26.429 -1.065 -6.041 1.00 0.00 H ATOM 504 HD21 ASN A 51 -26.683 0.687 -6.372 1.00 0.00 H ATOM 505 H ASN A 51 -29.270 -3.600 -4.445 1.00 0.00 H ATOM 506 N ASN A 52 -31.953 -0.292 -4.936 1.00 64.26 N ATOM 507 CA ASN A 52 -33.080 0.175 -5.698 1.00 63.78 C ATOM 508 C ASN A 52 -32.636 1.093 -6.808 1.00 60.57 C ATOM 509 O ASN A 52 -33.439 1.529 -7.596 1.00 60.27 O ATOM 510 CB ASN A 52 -34.078 0.862 -4.791 1.00 66.52 C ATOM 511 CG ASN A 52 -33.436 1.916 -3.917 1.00 67.88 C ATOM 512 OD1 ASN A 52 -32.478 2.569 -4.319 1.00 68.27 O ATOM 513 ND2 ASN A 52 -33.959 2.077 -2.715 1.00 68.68 N ATOM 514 HD22 ASN A 52 -34.772 1.499 -2.420 1.00 0.00 H ATOM 515 HD21 ASN A 52 -33.558 2.782 -2.064 1.00 0.00 H ATOM 516 H ASN A 52 -31.751 0.163 -4.023 1.00 0.00 H ATOM 517 N GLY A 53 -31.352 1.386 -6.862 1.00 58.77 N ATOM 518 CA GLY A 53 -30.816 2.250 -7.888 1.00 60.36 C ATOM 519 C GLY A 53 -30.714 3.719 -7.545 1.00 60.60 C ATOM 520 O GLY A 53 -30.334 4.511 -8.392 1.00 61.53 O ATOM 521 H GLY A 53 -30.710 0.986 -6.149 1.00 0.00 H ATOM 522 N ASP A 54 -31.017 4.088 -6.309 1.00 59.21 N ATOM 523 CA ASP A 54 -30.926 5.486 -5.927 1.00 58.45 C ATOM 524 C ASP A 54 -29.507 5.958 -6.103 1.00 59.76 C ATOM 525 O ASP A 54 -29.270 7.044 -6.609 1.00 62.03 O ATOM 526 CB ASP A 54 -31.372 5.670 -4.495 1.00 54.11 C ATOM 527 CG ASP A 54 -32.834 5.467 -4.320 1.00 52.73 C ATOM 528 OD1 ASP A 54 -33.550 5.501 -5.328 1.00 54.01 O ATOM 529 OD2 ASP A 54 -33.278 5.284 -3.176 1.00 49.87 O ATOM 530 H ASP A 54 -31.320 3.377 -5.613 1.00 0.00 H ATOM 531 N LEU A 55 -28.559 5.133 -5.697 1.00 58.86 N ATOM 532 CA LEU A 55 -27.162 5.437 -5.885 1.00 58.57 C ATOM 533 C LEU A 55 -26.536 4.232 -6.562 1.00 58.10 C ATOM 534 O LEU A 55 -26.767 3.107 -6.164 1.00 57.24 O ATOM 535 CB LEU A 55 -26.471 5.770 -4.579 1.00 57.55 C ATOM 536 CG LEU A 55 -26.410 7.257 -4.286 1.00 57.23 C ATOM 537 CD1 LEU A 55 -25.652 7.525 -3.011 1.00 54.86 C ATOM 538 CD2 LEU A 55 -25.770 7.975 -5.450 1.00 58.62 C ATOM 539 H LEU A 55 -28.826 4.243 -5.231 1.00 0.00 H ATOM 540 N ALA A 56 -25.737 4.474 -7.584 1.00 58.77 N ATOM 541 CA ALA A 56 -25.136 3.390 -8.322 1.00 56.94 C ATOM 542 C ALA A 56 -23.830 2.962 -7.714 1.00 51.88 C ATOM 543 O ALA A 56 -22.829 3.648 -7.820 1.00 51.94 O ATOM 544 CB ALA A 56 -24.915 3.821 -9.759 1.00 58.95 C ATOM 545 H ALA A 56 -25.538 5.457 -7.860 1.00 0.00 H ATOM 546 N GLY A 57 -23.850 1.795 -7.100 1.00 47.34 N ATOM 547 CA GLY A 57 -22.668 1.259 -6.481 1.00 42.77 C ATOM 548 C GLY A 57 -22.869 0.839 -5.048 1.00 39.49 C ATOM 549 O GLY A 57 -23.976 0.703 -4.564 1.00 39.50 O ATOM 550 H GLY A 57 -24.737 1.253 -7.063 1.00 0.00 H ATOM 551 N ILE A 58 -21.753 0.632 -4.380 1.00 36.47 N ATOM 552 CA ILE A 58 -21.730 0.226 -3.002 1.00 33.79 C ATOM 553 C ILE A 58 -21.061 1.348 -2.261 1.00 31.18 C ATOM 554 O ILE A 58 -20.135 1.937 -2.752 1.00 31.13 O ATOM 555 CB ILE A 58 -20.917 -1.046 -2.794 1.00 35.96 C ATOM 556 CG1 ILE A 58 -21.461 -2.173 -3.643 1.00 43.88 C ATOM 557 CG2 ILE A 58 -20.946 -1.449 -1.342 1.00 31.60 C ATOM 558 CD1 ILE A 58 -20.470 -3.284 -3.848 1.00 49.53 C ATOM 559 H ILE A 58 -20.847 0.769 -4.872 1.00 0.00 H ATOM 560 N LEU A 59 -21.538 1.640 -1.075 1.00 28.34 N ATOM 561 CA LEU A 59 -20.977 2.712 -0.301 1.00 28.19 C ATOM 562 C LEU A 59 -20.176 2.254 0.893 1.00 27.33 C ATOM 563 O LEU A 59 -20.528 1.306 1.549 1.00 26.95 O ATOM 564 CB LEU A 59 -22.088 3.598 0.228 1.00 30.01 C ATOM 565 CG LEU A 59 -22.847 4.531 -0.690 1.00 32.82 C ATOM 566 CD1 LEU A 59 -23.945 3.787 -1.387 1.00 34.13 C ATOM 567 CD2 LEU A 59 -23.426 5.683 0.096 1.00 33.62 C ATOM 568 H LEU A 59 -22.332 1.089 -0.690 1.00 0.00 H ATOM 569 N GLY A 60 -19.087 2.954 1.150 1.00 26.35 N ATOM 570 CA GLY A 60 -18.272 2.731 2.319 1.00 26.31 C ATOM 571 C GLY A 60 -18.374 4.014 3.119 1.00 26.74 C ATOM 572 O GLY A 60 -17.702 4.974 2.826 1.00 26.02 O ATOM 573 H GLY A 60 -18.804 3.698 0.481 1.00 0.00 H ATOM 574 N LEU A 61 -19.203 4.017 4.148 1.00 27.05 N ATOM 575 CA LEU A 61 -19.421 5.210 4.944 1.00 26.33 C ATOM 576 C LEU A 61 -18.687 5.250 6.252 1.00 24.95 C ATOM 577 O LEU A 61 -18.713 4.307 7.004 1.00 23.93 O ATOM 578 CB LEU A 61 -20.901 5.398 5.270 1.00 25.71 C ATOM 579 CG LEU A 61 -21.925 5.402 4.150 1.00 26.73 C ATOM 580 CD1 LEU A 61 -22.579 4.046 4.022 1.00 27.67 C ATOM 581 CD2 LEU A 61 -22.980 6.470 4.358 1.00 27.20 C ATOM 582 H LEU A 61 -19.711 3.143 4.393 1.00 0.00 H ATOM 583 N CYS A 62 -18.049 6.375 6.508 1.00 23.87 N ATOM 584 CA CYS A 62 -17.367 6.596 7.761 1.00 24.38 C ATOM 585 C CYS A 62 -18.358 7.391 8.596 1.00 24.32 C ATOM 586 O CYS A 62 -18.775 8.455 8.208 1.00 24.46 O ATOM 587 CB CYS A 62 -16.047 7.338 7.571 1.00 26.58 C ATOM 588 SG CYS A 62 -14.722 6.383 6.794 1.00 40.39 S ATOM 589 H CYS A 62 -18.037 7.124 5.787 1.00 0.00 H ATOM 590 N ILE A 63 -18.744 6.824 9.728 1.00 23.27 N ATOM 591 CA ILE A 63 -19.712 7.414 10.635 1.00 23.71 C ATOM 592 C ILE A 63 -19.127 7.689 12.011 1.00 25.13 C ATOM 593 O ILE A 63 -18.708 6.784 12.706 1.00 25.00 O ATOM 594 CB ILE A 63 -20.908 6.457 10.819 1.00 27.69 C ATOM 595 CG1 ILE A 63 -21.565 6.121 9.485 1.00 27.65 C ATOM 596 CG2 ILE A 63 -21.929 7.012 11.782 1.00 27.71 C ATOM 597 CD1 ILE A 63 -22.555 4.994 9.585 1.00 28.34 C ATOM 598 H ILE A 63 -18.331 5.904 9.982 1.00 0.00 H ATOM 599 N PRO A 64 -19.086 8.947 12.407 1.00 25.83 N ATOM 600 CA PRO A 64 -18.556 9.285 13.722 1.00 29.56 C ATOM 601 C PRO A 64 -19.479 8.831 14.822 1.00 32.39 C ATOM 602 O PRO A 64 -20.662 8.967 14.704 1.00 34.51 O ATOM 603 CB PRO A 64 -18.503 10.803 13.687 1.00 30.29 C ATOM 604 CG PRO A 64 -19.616 11.179 12.804 1.00 30.06 C ATOM 605 CD PRO A 64 -19.708 10.107 11.766 1.00 28.02 C ATOM 606 N GLU A 65 -18.937 8.297 15.893 1.00 34.68 N ATOM 607 CA GLU A 65 -19.741 7.887 17.014 1.00 39.44 C ATOM 608 C GLU A 65 -19.575 8.956 18.082 1.00 45.05 C ATOM 609 O GLU A 65 -18.591 9.668 18.087 1.00 42.97 O ATOM 610 CB GLU A 65 -19.320 6.530 17.522 1.00 38.50 C ATOM 611 CG GLU A 65 -19.558 5.411 16.536 1.00 37.71 C ATOM 612 CD GLU A 65 -21.021 5.109 16.310 1.00 36.03 C ATOM 613 OE1 GLU A 65 -21.836 5.475 17.155 1.00 38.21 O ATOM 614 OE2 GLU A 65 -21.350 4.498 15.291 1.00 33.17 O ATOM 615 H GLU A 65 -17.906 8.168 15.932 1.00 0.00 H ATOM 616 N LEU A 66 -20.547 9.053 18.976 1.00 54.26 N ATOM 617 CA LEU A 66 -20.562 10.059 20.041 1.00 61.64 C ATOM 618 C LEU A 66 -19.422 9.979 21.051 1.00 63.49 C ATOM 619 O LEU A 66 -18.983 10.986 21.550 1.00 66.25 O ATOM 620 CB LEU A 66 -21.894 10.047 20.774 1.00 66.33 C ATOM 621 CG LEU A 66 -23.094 10.430 19.933 1.00 69.73 C ATOM 622 CD1 LEU A 66 -24.320 10.542 20.807 1.00 72.43 C ATOM 623 CD2 LEU A 66 -22.843 11.735 19.224 1.00 70.61 C ATOM 624 H LEU A 66 -21.339 8.382 18.919 1.00 0.00 H ATOM 625 N ASP A 67 -18.924 8.790 21.326 1.00 60.88 N ATOM 626 CA ASP A 67 -17.853 8.628 22.295 1.00 58.47 C ATOM 627 C ASP A 67 -16.459 8.793 21.728 1.00 52.11 C ATOM 628 O ASP A 67 -15.491 8.509 22.410 1.00 54.12 O ATOM 629 CB ASP A 67 -17.957 7.286 22.998 1.00 60.84 C ATOM 630 CG ASP A 67 -18.018 6.114 22.037 1.00 60.65 C ATOM 631 OD1 ASP A 67 -17.860 6.292 20.816 1.00 59.35 O ATOM 632 OD2 ASP A 67 -18.213 4.996 22.532 1.00 62.20 O ATOM 633 H ASP A 67 -19.304 7.952 20.841 1.00 0.00 H ATOM 634 N GLY A 68 -16.372 9.279 20.501 1.00 44.26 N ATOM 635 CA GLY A 68 -15.112 9.479 19.810 1.00 39.66 C ATOM 636 C GLY A 68 -14.688 8.326 18.905 1.00 36.65 C ATOM 637 O GLY A 68 -13.748 8.428 18.132 1.00 37.32 O ATOM 638 H GLY A 68 -17.252 9.531 20.006 1.00 0.00 H ATOM 639 N LYS A 69 -15.397 7.222 19.004 1.00 33.98 N ATOM 640 CA LYS A 69 -15.125 6.059 18.187 1.00 31.79 C ATOM 641 C LYS A 69 -15.579 6.294 16.753 1.00 30.64 C ATOM 642 O LYS A 69 -16.397 7.159 16.496 1.00 32.29 O ATOM 643 CB LYS A 69 -15.806 4.833 18.762 1.00 31.38 C ATOM 644 CG LYS A 69 -15.111 4.260 19.971 1.00 33.32 C ATOM 645 CD LYS A 69 -15.778 2.991 20.440 1.00 35.28 C ATOM 646 CE LYS A 69 -15.075 2.383 21.635 1.00 38.66 C ATOM 647 NZ LYS A 69 -15.883 1.305 22.237 1.00 40.18 N ATOM 648 HZ1 LYS A 69 -16.797 1.691 22.550 1.00 0.00 H ATOM 649 HZ2 LYS A 69 -16.044 0.559 21.531 1.00 0.00 H ATOM 650 HZ3 LYS A 69 -15.376 0.908 23.053 1.00 0.00 H ATOM 651 H LYS A 69 -16.177 7.184 19.691 1.00 0.00 H ATOM 652 N MET A 70 -15.028 5.522 15.832 1.00 27.92 N ATOM 653 CA MET A 70 -15.367 5.643 14.433 1.00 27.01 C ATOM 654 C MET A 70 -15.920 4.349 13.853 1.00 26.76 C ATOM 655 O MET A 70 -15.341 3.299 14.001 1.00 27.42 O ATOM 656 CB MET A 70 -14.151 6.099 13.646 1.00 29.83 C ATOM 657 CG MET A 70 -14.331 6.056 12.155 1.00 32.81 C ATOM 658 SD MET A 70 -15.635 7.154 11.626 1.00122.79 S ATOM 659 CE MET A 70 -14.927 8.740 12.058 1.00 49.38 C ATOM 660 H MET A 70 -14.331 4.807 16.123 1.00 0.00 H ATOM 661 N SER A 71 -17.051 4.463 13.182 1.00 26.03 N ATOM 662 CA SER A 71 -17.720 3.345 12.555 1.00 26.63 C ATOM 663 C SER A 71 -17.616 3.378 11.037 1.00 25.95 C ATOM 664 O SER A 71 -17.489 4.432 10.445 1.00 26.41 O ATOM 665 CB SER A 71 -19.192 3.321 12.936 1.00 27.47 C ATOM 666 OG SER A 71 -19.383 2.863 14.232 1.00 27.64 O ATOM 667 HG SER A 71 -20.351 2.862 14.441 1.00 0.00 H ATOM 668 H SER A 71 -17.483 5.405 13.100 1.00 0.00 H ATOM 669 N TYR A 72 -17.650 2.201 10.424 1.00 23.16 N ATOM 670 CA TYR A 72 -17.603 2.064 8.986 1.00 23.01 C ATOM 671 C TYR A 72 -18.737 1.158 8.569 1.00 23.97 C ATOM 672 O TYR A 72 -18.942 0.106 9.133 1.00 24.54 O ATOM 673 CB TYR A 72 -16.271 1.504 8.518 1.00 25.46 C ATOM 674 CG TYR A 72 -16.013 1.572 7.035 1.00 28.14 C ATOM 675 CD1 TYR A 72 -15.482 2.700 6.456 1.00 29.34 C ATOM 676 CD2 TYR A 72 -16.264 0.496 6.221 1.00 27.56 C ATOM 677 CE1 TYR A 72 -15.231 2.758 5.106 1.00 29.13 C ATOM 678 CE2 TYR A 72 -16.011 0.547 4.876 1.00 27.09 C ATOM 679 CZ TYR A 72 -15.497 1.682 4.324 1.00 27.76 C ATOM 680 OH TYR A 72 -15.240 1.734 2.991 1.00 28.64 O ATOM 681 HH TYR A 72 -14.873 2.624 2.761 1.00 0.00 H ATOM 682 H TYR A 72 -17.713 1.340 11.004 1.00 0.00 H ATOM 683 N MET A 73 -19.481 1.581 7.575 1.00 23.01 N ATOM 684 CA MET A 73 -20.587 0.799 7.100 1.00 23.53 C ATOM 685 C MET A 73 -20.529 0.552 5.613 1.00 24.78 C ATOM 686 O MET A 73 -20.431 1.465 4.834 1.00 25.32 O ATOM 687 CB MET A 73 -21.893 1.490 7.435 1.00 23.30 C ATOM 688 CG MET A 73 -23.129 0.751 6.979 1.00 24.50 C ATOM 689 SD MET A 73 -24.664 1.595 7.368 1.00 24.86 S ATOM 690 CE MET A 73 -25.888 0.373 7.001 1.00 33.06 C ATOM 691 H MET A 73 -19.267 2.494 7.126 1.00 0.00 H ATOM 692 N ILE A 74 -20.612 -0.708 5.237 1.00 25.25 N ATOM 693 CA ILE A 74 -20.645 -1.081 3.843 1.00 25.87 C ATOM 694 C ILE A 74 -22.126 -1.243 3.544 1.00 25.73 C ATOM 695 O ILE A 74 -22.799 -2.025 4.175 1.00 25.85 O ATOM 696 CB ILE A 74 -19.879 -2.367 3.582 1.00 25.55 C ATOM 697 CG1 ILE A 74 -18.389 -2.123 3.781 1.00 27.22 C ATOM 698 CG2 ILE A 74 -20.166 -2.859 2.184 1.00 25.10 C ATOM 699 CD1 ILE A 74 -17.554 -3.367 3.820 1.00 27.96 C ATOM 700 H ILE A 74 -20.655 -1.452 5.962 1.00 0.00 H ATOM 701 N ALA A 75 -22.614 -0.470 2.589 1.00 25.94 N ATOM 702 CA ALA A 75 -24.024 -0.460 2.257 1.00 26.11 C ATOM 703 C ALA A 75 -24.418 -0.008 0.848 1.00 26.99 C ATOM 704 O ALA A 75 -23.630 0.526 0.102 1.00 27.43 O ATOM 705 CB ALA A 75 -24.747 0.401 3.266 1.00 25.36 C ATOM 706 H ALA A 75 -21.967 0.149 2.061 1.00 0.00 H ATOM 707 N VAL A 76 -25.687 -0.237 0.538 1.00 27.46 N ATOM 708 CA VAL A 76 -26.307 0.159 -0.712 1.00 27.99 C ATOM 709 C VAL A 76 -27.624 0.868 -0.394 1.00 28.55 C ATOM 710 O VAL A 76 -28.194 0.674 0.653 1.00 28.06 O ATOM 711 CB VAL A 76 -26.612 -1.031 -1.640 1.00 28.99 C ATOM 712 CG1 VAL A 76 -25.359 -1.816 -1.945 1.00 31.33 C ATOM 713 CG2 VAL A 76 -27.674 -1.932 -1.045 1.00 27.85 C ATOM 714 H VAL A 76 -26.276 -0.733 1.237 1.00 0.00 H ATOM 715 N THR A 77 -28.100 1.685 -1.313 1.00 30.48 N ATOM 716 CA THR A 77 -29.360 2.378 -1.109 1.00 33.07 C ATOM 717 C THR A 77 -30.446 1.371 -1.378 1.00 36.16 C ATOM 718 O THR A 77 -30.542 0.872 -2.454 1.00 38.50 O ATOM 719 CB THR A 77 -29.537 3.547 -2.081 1.00 33.58 C ATOM 720 OG1 THR A 77 -29.346 3.096 -3.417 1.00 34.00 O ATOM 721 CG2 THR A 77 -28.564 4.642 -1.782 1.00 32.95 C ATOM 722 HG1 THR A 77 -30.011 2.393 -3.625 1.00 0.00 H ATOM 723 H THR A 77 -27.567 1.835 -2.194 1.00 0.00 H ATOM 724 N GLY A 78 -31.271 1.087 -0.396 1.00 46.92 N ATOM 725 CA GLY A 78 -32.294 0.089 -0.554 1.00 55.16 C ATOM 726 C GLY A 78 -33.662 0.484 -0.097 1.00 64.52 C ATOM 727 O GLY A 78 -33.827 1.455 0.609 1.00 64.63 O ATOM 728 H GLY A 78 -31.183 1.591 0.509 1.00 0.00 H ATOM 729 N ASP A 79 -34.657 -0.272 -0.535 1.00 74.05 N ATOM 730 CA ASP A 79 -36.027 -0.006 -0.150 1.00 81.61 C ATOM 731 C ASP A 79 -36.331 -0.478 1.250 1.00 86.54 C ATOM 732 O ASP A 79 -35.865 -1.500 1.724 1.00 86.62 O ATOM 733 CB ASP A 79 -37.014 -0.609 -1.144 1.00 87.13 C ATOM 734 CG ASP A 79 -36.948 0.066 -2.488 1.00 91.20 C ATOM 735 OD1 ASP A 79 -36.047 0.903 -2.690 1.00 90.82 O ATOM 736 OD2 ASP A 79 -37.791 -0.223 -3.350 1.00 95.07 O ATOM 737 H ASP A 79 -34.451 -1.072 -1.167 1.00 0.00 H ATOM 738 N ASN A 80 -37.135 0.331 1.897 1.00 92.63 N ATOM 739 CA ASN A 80 -37.585 0.093 3.249 1.00101.13 C ATOM 740 C ASN A 80 -38.462 -1.133 3.344 1.00103.93 C ATOM 741 O ASN A 80 -38.439 -1.855 4.341 1.00103.52 O ATOM 742 CB ASN A 80 -38.318 1.317 3.790 1.00108.57 C ATOM 743 CG ASN A 80 -37.440 2.161 4.684 1.00112.59 C ATOM 744 OD1 ASN A 80 -37.328 3.375 4.512 1.00115.20 O ATOM 745 ND2 ASN A 80 -36.805 1.512 5.653 1.00114.22 N ATOM 746 HD22 ASN A 80 -36.930 0.485 5.760 1.00 0.00 H ATOM 747 HD21 ASN A 80 -36.182 2.031 6.305 1.00 0.00 H ATOM 748 H ASN A 80 -37.466 1.189 1.411 1.00 0.00 H ATOM 749 N SER A 81 -39.230 -1.358 2.285 1.00107.78 N ATOM 750 CA SER A 81 -40.181 -2.447 2.251 1.00114.20 C ATOM 751 C SER A 81 -39.601 -3.812 1.893 1.00118.37 C ATOM 752 O SER A 81 -39.836 -4.339 0.814 1.00122.51 O ATOM 753 CB SER A 81 -41.313 -2.098 1.297 1.00115.66 C ATOM 754 H SER A 81 -39.146 -0.734 1.457 1.00 0.00 H ATOM 755 N ALA A 82 -38.816 -4.346 2.816 1.00116.01 N ATOM 756 CA ALA A 82 -38.231 -5.681 2.697 1.00113.51 C ATOM 757 C ALA A 82 -38.169 -6.210 4.129 1.00115.04 C ATOM 758 O ALA A 82 -38.133 -5.397 5.047 1.00112.65 O ATOM 759 CB ALA A 82 -36.866 -5.630 2.039 1.00113.33 C ATOM 760 H ALA A 82 -38.605 -3.788 3.668 1.00 0.00 H ATOM 761 N ASP A 83 -38.167 -7.517 4.356 1.00120.96 N ATOM 762 CA ASP A 83 -38.137 -7.963 5.745 1.00123.45 C ATOM 763 C ASP A 83 -36.871 -7.426 6.381 1.00118.77 C ATOM 764 O ASP A 83 -36.914 -6.825 7.448 1.00119.53 O ATOM 765 CB ASP A 83 -38.149 -9.479 5.819 1.00129.47 C ATOM 766 CG ASP A 83 -37.247 -10.104 4.804 1.00131.16 C ATOM 767 OD1 ASP A 83 -37.144 -9.534 3.694 1.00129.87 O ATOM 768 OD2 ASP A 83 -36.645 -11.154 5.110 1.00133.80 O ATOM 769 H ASP A 83 -38.186 -8.200 3.572 1.00 0.00 H ATOM 770 N ILE A 84 -35.756 -7.701 5.719 1.00113.02 N ATOM 771 CA ILE A 84 -34.467 -7.166 6.096 1.00104.02 C ATOM 772 C ILE A 84 -34.010 -7.419 7.541 1.00 97.59 C ATOM 773 O ILE A 84 -33.392 -6.558 8.161 1.00 94.64 O ATOM 774 CB ILE A 84 -34.572 -5.660 5.804 1.00 86.20 C ATOM 775 CG1 ILE A 84 -33.249 -5.092 5.370 1.00 81.84 C ATOM 776 CG2 ILE A 84 -35.207 -4.903 6.960 1.00 85.26 C ATOM 777 CD1 ILE A 84 -33.447 -3.996 4.354 1.00 80.07 C ATOM 778 H ILE A 84 -35.811 -8.329 4.892 1.00 0.00 H ATOM 779 N ALA A 85 -34.308 -8.582 8.083 1.00 95.20 N ATOM 780 CA ALA A 85 -33.940 -8.840 9.462 1.00 90.45 C ATOM 781 C ALA A 85 -32.443 -8.875 9.799 1.00 84.99 C ATOM 782 O ALA A 85 -32.032 -8.326 10.809 1.00 85.36 O ATOM 783 CB ALA A 85 -34.624 -10.117 9.941 1.00 93.66 C ATOM 784 H ALA A 85 -34.803 -9.309 7.527 1.00 0.00 H ATOM 785 N LYS A 86 -31.635 -9.542 8.988 1.00 79.74 N ATOM 786 CA LYS A 86 -30.208 -9.655 9.265 1.00 74.84 C ATOM 787 C LYS A 86 -29.350 -8.382 9.213 1.00 64.95 C ATOM 788 O LYS A 86 -28.465 -8.208 10.020 1.00 65.58 O ATOM 789 CB LYS A 86 -29.574 -10.741 8.387 1.00 78.98 C ATOM 790 CG LYS A 86 -30.002 -12.162 8.694 1.00 84.37 C ATOM 791 CD LYS A 86 -29.172 -13.198 7.935 1.00 94.15 C ATOM 792 CE LYS A 86 -29.439 -13.148 6.437 1.00 98.85 C ATOM 793 NZ LYS A 86 -28.733 -14.226 5.684 1.00101.05 N ATOM 794 HZ1 LYS A 86 -27.707 -14.132 5.827 1.00 0.00 H ATOM 795 HZ2 LYS A 86 -29.049 -15.154 6.032 1.00 0.00 H ATOM 796 HZ3 LYS A 86 -28.953 -14.141 4.671 1.00 0.00 H ATOM 797 H LYS A 86 -32.026 -9.994 8.137 1.00 0.00 H ATOM 798 N TYR A 87 -29.608 -7.522 8.251 1.00 55.71 N ATOM 799 CA TYR A 87 -28.829 -6.310 8.041 1.00 47.59 C ATOM 800 C TYR A 87 -29.072 -5.074 8.910 1.00 44.61 C ATOM 801 O TYR A 87 -30.133 -4.875 9.455 1.00 46.55 O ATOM 802 CB TYR A 87 -28.964 -5.890 6.587 1.00 45.01 C ATOM 803 CG TYR A 87 -28.364 -6.857 5.620 1.00 45.58 C ATOM 804 CD1 TYR A 87 -27.029 -7.167 5.672 1.00 45.06 C ATOM 805 CD2 TYR A 87 -29.134 -7.461 4.652 1.00 47.88 C ATOM 806 CE1 TYR A 87 -26.472 -8.049 4.788 1.00 46.11 C ATOM 807 CE2 TYR A 87 -28.584 -8.344 3.763 1.00 49.40 C ATOM 808 CZ TYR A 87 -27.253 -8.634 3.837 1.00 48.39 C ATOM 809 OH TYR A 87 -26.695 -9.510 2.962 1.00 50.32 O ATOM 810 HH TYR A 87 -27.136 -10.392 3.053 1.00 0.00 H ATOM 811 H TYR A 87 -30.405 -7.717 7.612 1.00 0.00 H ATOM 812 N ASP A 88 -28.047 -4.241 9.011 1.00 41.44 N ATOM 813 CA ASP A 88 -28.140 -2.987 9.725 1.00 40.35 C ATOM 814 C ASP A 88 -28.820 -2.009 8.779 1.00 40.81 C ATOM 815 O ASP A 88 -28.571 -2.030 7.595 1.00 41.87 O ATOM 816 CB ASP A 88 -26.767 -2.458 10.092 1.00 37.97 C ATOM 817 CG ASP A 88 -26.037 -3.340 11.057 1.00 41.58 C ATOM 818 OD1 ASP A 88 -26.664 -3.925 11.937 1.00 44.28 O ATOM 819 OD2 ASP A 88 -24.824 -3.430 10.945 1.00 41.15 O ATOM 820 H ASP A 88 -27.145 -4.498 8.562 1.00 0.00 H ATOM 821 N VAL A 89 -29.682 -1.155 9.295 1.00 40.47 N ATOM 822 CA VAL A 89 -30.358 -0.182 8.461 1.00 42.18 C ATOM 823 C VAL A 89 -30.256 1.223 9.049 1.00 42.74 C ATOM 824 O VAL A 89 -30.373 1.408 10.241 1.00 44.25 O ATOM 825 CB VAL A 89 -31.843 -0.526 8.250 1.00 45.32 C ATOM 826 CG1 VAL A 89 -32.502 0.493 7.350 1.00 45.65 C ATOM 827 CG2 VAL A 89 -32.011 -1.906 7.652 1.00 48.61 C ATOM 828 H VAL A 89 -29.880 -1.180 10.316 1.00 0.00 H ATOM 829 N ILE A 90 -30.033 2.204 8.192 1.00 42.13 N ATOM 830 CA ILE A 90 -29.936 3.586 8.613 1.00 40.66 C ATOM 831 C ILE A 90 -30.526 4.523 7.591 1.00 35.87 C ATOM 832 O ILE A 90 -30.685 4.182 6.437 1.00 34.28 O ATOM 833 CB ILE A 90 -28.494 4.050 8.866 1.00 42.68 C ATOM 834 CG1 ILE A 90 -27.674 3.999 7.593 1.00 42.00 C ATOM 835 CG2 ILE A 90 -27.838 3.219 9.938 1.00 44.62 C ATOM 836 CD1 ILE A 90 -26.483 4.911 7.615 1.00 39.79 C ATOM 837 H ILE A 90 -29.924 1.976 7.183 1.00 0.00 H ATOM 838 N THR A 91 -30.820 5.725 8.045 1.00 33.74 N ATOM 839 CA THR A 91 -31.347 6.758 7.205 1.00 34.76 C ATOM 840 C THR A 91 -30.224 7.760 7.045 1.00 34.52 C ATOM 841 O THR A 91 -29.640 8.169 8.024 1.00 35.12 O ATOM 842 CB THR A 91 -32.543 7.464 7.857 1.00 35.76 C ATOM 843 OG1 THR A 91 -33.654 6.581 7.942 1.00 37.68 O ATOM 844 CG2 THR A 91 -32.940 8.642 7.064 1.00 36.78 C ATOM 845 HG1 THR A 91 -34.416 7.051 8.364 1.00 0.00 H ATOM 846 H THR A 91 -30.663 5.931 9.052 1.00 0.00 H ATOM 847 N LEU A 92 -29.912 8.140 5.817 1.00 33.42 N ATOM 848 CA LEU A 92 -28.874 9.116 5.591 1.00 29.47 C ATOM 849 C LEU A 92 -29.574 10.438 5.308 1.00 30.46 C ATOM 850 O LEU A 92 -30.234 10.599 4.301 1.00 31.34 O ATOM 851 CB LEU A 92 -27.976 8.719 4.435 1.00 27.20 C ATOM 852 CG LEU A 92 -26.817 9.663 4.145 1.00 25.80 C ATOM 853 CD1 LEU A 92 -25.746 9.554 5.200 1.00 25.54 C ATOM 854 CD2 LEU A 92 -26.224 9.419 2.785 1.00 25.69 C ATOM 855 H LEU A 92 -30.420 7.731 5.007 1.00 0.00 H ATOM 856 N ALA A 93 -29.409 11.381 6.215 1.00 29.53 N ATOM 857 CA ALA A 93 -30.060 12.684 6.114 1.00 30.66 C ATOM 858 C ALA A 93 -29.637 13.453 4.897 1.00 30.77 C ATOM 859 O ALA A 93 -28.512 13.383 4.474 1.00 30.69 O ATOM 860 CB ALA A 93 -29.820 13.498 7.364 1.00 31.36 C ATOM 861 H ALA A 93 -28.793 11.190 7.031 1.00 0.00 H ATOM 862 N SER A 94 -30.572 14.201 4.345 1.00 32.07 N ATOM 863 CA SER A 94 -30.318 14.971 3.142 1.00 33.69 C ATOM 864 C SER A 94 -29.175 15.944 3.357 1.00 30.43 C ATOM 865 O SER A 94 -29.015 16.476 4.421 1.00 29.57 O ATOM 866 CB SER A 94 -31.581 15.736 2.732 1.00 40.10 C ATOM 867 OG SER A 94 -31.311 16.782 1.831 1.00 43.51 O ATOM 868 HG SER A 94 -30.900 16.411 1.010 1.00 0.00 H ATOM 869 H SER A 94 -31.515 14.240 4.783 1.00 0.00 H ATOM 870 N SER A 95 -28.360 16.140 2.340 1.00 30.62 N ATOM 871 CA SER A 95 -27.242 17.052 2.437 1.00 32.02 C ATOM 872 C SER A 95 -26.686 17.403 1.087 1.00 31.63 C ATOM 873 O SER A 95 -26.949 16.724 0.122 1.00 33.89 O ATOM 874 CB SER A 95 -26.133 16.419 3.266 1.00 33.85 C ATOM 875 OG SER A 95 -25.105 17.335 3.559 1.00 34.32 O ATOM 876 HG SER A 95 -25.478 18.096 4.071 1.00 0.00 H ATOM 877 H SER A 95 -28.524 15.628 1.450 1.00 0.00 H ATOM 878 N LYS A 96 -25.881 18.451 1.052 1.00 29.13 N ATOM 879 CA LYS A 96 -25.188 18.853 -0.139 1.00 28.94 C ATOM 880 C LYS A 96 -23.780 18.346 0.083 1.00 26.49 C ATOM 881 O LYS A 96 -23.347 18.241 1.208 1.00 25.21 O ATOM 882 CB LYS A 96 -25.204 20.355 -0.342 1.00 33.24 C ATOM 883 CG LYS A 96 -26.575 20.917 -0.643 1.00 41.35 C ATOM 884 CD LYS A 96 -26.521 22.346 -1.114 1.00 50.07 C ATOM 885 CE LYS A 96 -27.918 22.897 -1.300 1.00 57.97 C ATOM 886 NZ LYS A 96 -27.878 24.265 -1.859 1.00 63.32 N ATOM 887 HZ1 LYS A 96 -27.357 24.888 -1.210 1.00 0.00 H ATOM 888 HZ2 LYS A 96 -27.400 24.247 -2.783 1.00 0.00 H ATOM 889 HZ3 LYS A 96 -28.849 24.619 -1.976 1.00 0.00 H ATOM 890 H LYS A 96 -25.745 19.006 1.921 1.00 0.00 H ATOM 891 N TYR A 97 -23.082 18.014 -0.989 1.00 26.03 N ATOM 892 CA TYR A 97 -21.737 17.490 -0.896 1.00 27.33 C ATOM 893 C TYR A 97 -20.744 18.035 -1.900 1.00 29.32 C ATOM 894 O TYR A 97 -21.109 18.529 -2.944 1.00 32.28 O ATOM 895 CB TYR A 97 -21.746 15.985 -1.151 1.00 28.65 C ATOM 896 CG TYR A 97 -22.526 15.123 -0.214 1.00 29.06 C ATOM 897 CD1 TYR A 97 -21.891 14.361 0.735 1.00 29.63 C ATOM 898 CD2 TYR A 97 -23.881 15.027 -0.313 1.00 27.74 C ATOM 899 CE1 TYR A 97 -22.598 13.554 1.583 1.00 28.70 C ATOM 900 CE2 TYR A 97 -24.595 14.222 0.527 1.00 26.37 C ATOM 901 CZ TYR A 97 -23.944 13.487 1.472 1.00 26.71 C ATOM 902 OH TYR A 97 -24.653 12.690 2.294 1.00 26.25 O ATOM 903 HH TYR A 97 -25.296 13.238 2.810 1.00 0.00 H ATOM 904 H TYR A 97 -23.513 18.133 -1.928 1.00 0.00 H ATOM 905 N MET A 98 -19.473 17.877 -1.573 1.00 29.38 N ATOM 906 CA MET A 98 -18.384 18.204 -2.449 1.00 31.33 C ATOM 907 C MET A 98 -17.970 16.791 -2.851 1.00 34.33 C ATOM 908 O MET A 98 -17.648 15.980 -2.008 1.00 34.47 O ATOM 909 CB MET A 98 -17.247 18.913 -1.724 1.00 30.80 C ATOM 910 CG MET A 98 -17.546 20.315 -1.223 1.00 30.96 C ATOM 911 SD MET A 98 -16.249 21.018 -0.191 1.00 43.52 S ATOM 912 CE MET A 98 -14.996 21.341 -1.377 1.00 38.10 C ATOM 913 H MET A 98 -19.250 17.496 -0.631 1.00 0.00 H ATOM 914 N VAL A 99 -18.011 16.489 -4.138 1.00 36.52 N ATOM 915 CA VAL A 99 -17.681 15.158 -4.613 1.00 36.65 C ATOM 916 C VAL A 99 -16.361 15.125 -5.363 1.00 38.00 C ATOM 917 O VAL A 99 -16.179 15.815 -6.337 1.00 39.03 O ATOM 918 CB VAL A 99 -18.782 14.622 -5.536 1.00 36.88 C ATOM 919 CG1 VAL A 99 -18.405 13.268 -6.083 1.00 37.69 C ATOM 920 CG2 VAL A 99 -20.113 14.568 -4.826 1.00 35.89 C ATOM 921 H VAL A 99 -18.286 17.221 -4.824 1.00 0.00 H ATOM 922 N PHE A 100 -15.451 14.293 -4.894 1.00 37.39 N ATOM 923 CA PHE A 100 -14.130 14.173 -5.491 1.00 36.88 C ATOM 924 C PHE A 100 -13.917 12.822 -6.135 1.00 36.37 C ATOM 925 O PHE A 100 -14.612 11.880 -5.851 1.00 35.90 O ATOM 926 CB PHE A 100 -13.034 14.367 -4.458 1.00 36.40 C ATOM 927 CG PHE A 100 -13.177 15.600 -3.631 1.00 36.47 C ATOM 928 CD1 PHE A 100 -12.432 16.718 -3.905 1.00 34.65 C ATOM 929 CD2 PHE A 100 -14.037 15.628 -2.559 1.00 38.44 C ATOM 930 CE1 PHE A 100 -12.559 17.849 -3.141 1.00 34.14 C ATOM 931 CE2 PHE A 100 -14.161 16.750 -1.789 1.00 37.60 C ATOM 932 CZ PHE A 100 -13.427 17.864 -2.081 1.00 36.24 C ATOM 933 H PHE A 100 -15.686 13.703 -4.070 1.00 0.00 H ATOM 934 N GLU A 101 -12.931 12.743 -7.004 1.00 37.50 N ATOM 935 CA GLU A 101 -12.631 11.508 -7.692 1.00 40.38 C ATOM 936 C GLU A 101 -11.215 11.013 -7.473 1.00 40.23 C ATOM 937 O GLU A 101 -10.269 11.777 -7.448 1.00 39.21 O ATOM 938 CB GLU A 101 -12.858 11.666 -9.185 1.00 45.34 C ATOM 939 CG GLU A 101 -14.307 11.797 -9.590 1.00 48.42 C ATOM 940 CD GLU A 101 -14.491 11.871 -11.091 1.00 53.68 C ATOM 941 OE1 GLU A 101 -13.499 12.070 -11.798 1.00 56.24 O ATOM 942 OE2 GLU A 101 -15.627 11.734 -11.559 1.00 55.41 O ATOM 943 H GLU A 101 -12.356 13.587 -7.199 1.00 0.00 H ATOM 944 N ALA A 102 -11.101 9.708 -7.324 1.00 41.30 N ATOM 945 CA ALA A 102 -9.818 9.072 -7.173 1.00 43.36 C ATOM 946 C ALA A 102 -9.652 8.131 -8.349 1.00 49.05 C ATOM 947 O ALA A 102 -10.441 7.227 -8.533 1.00 50.41 O ATOM 948 CB ALA A 102 -9.753 8.303 -5.877 1.00 39.97 C ATOM 949 H ALA A 102 -11.960 9.122 -7.315 1.00 0.00 H ATOM 950 N GLN A 103 -8.624 8.347 -9.147 1.00 52.85 N ATOM 951 CA GLN A 103 -8.387 7.485 -10.285 1.00 57.71 C ATOM 952 C GLN A 103 -7.228 6.579 -9.963 1.00 59.95 C ATOM 953 O GLN A 103 -6.135 7.027 -9.662 1.00 60.93 O ATOM 954 CB GLN A 103 -8.083 8.299 -11.536 1.00 60.66 C ATOM 955 CG GLN A 103 -8.047 7.473 -12.807 1.00 65.85 C ATOM 956 CD GLN A 103 -8.041 8.317 -14.054 1.00 70.26 C ATOM 957 OE1 GLN A 103 -7.317 9.301 -14.144 1.00 72.37 O ATOM 958 NE2 GLN A 103 -8.846 7.936 -15.025 1.00 71.75 N ATOM 959 HE22 GLN A 103 -9.443 7.093 -14.905 1.00 0.00 H ATOM 960 HE21 GLN A 103 -8.884 8.478 -15.912 1.00 0.00 H ATOM 961 H GLN A 103 -7.980 9.141 -8.957 1.00 0.00 H ATOM 962 N GLY A 104 -7.480 5.287 -10.005 1.00 60.89 N ATOM 963 CA GLY A 104 -6.438 4.345 -9.705 1.00 62.30 C ATOM 964 C GLY A 104 -6.936 3.071 -9.097 1.00 61.41 C ATOM 965 O GLY A 104 -8.120 2.863 -8.947 1.00 57.51 O ATOM 966 H GLY A 104 -8.431 4.950 -10.255 1.00 0.00 H ATOM 967 N ALA A 105 -5.988 2.207 -8.773 1.00 65.72 N ATOM 968 CA ALA A 105 -6.287 0.921 -8.190 1.00 68.17 C ATOM 969 C ALA A 105 -6.694 1.094 -6.747 1.00 65.15 C ATOM 970 O ALA A 105 -6.046 1.798 -5.998 1.00 65.67 O ATOM 971 CB ALA A 105 -5.077 0.006 -8.290 1.00 73.05 C ATOM 972 H ALA A 105 -4.995 2.463 -8.944 1.00 0.00 H ATOM 973 N VAL A 106 -7.785 0.459 -6.363 1.00 61.18 N ATOM 974 CA VAL A 106 -8.262 0.525 -5.005 1.00 55.89 C ATOM 975 C VAL A 106 -7.407 -0.423 -4.206 1.00 55.18 C ATOM 976 O VAL A 106 -7.057 -1.454 -4.738 1.00 57.39 O ATOM 977 CB VAL A 106 -9.706 0.052 -4.913 1.00 55.40 C ATOM 978 CG1 VAL A 106 -10.175 -0.029 -3.480 1.00 54.16 C ATOM 979 CG2 VAL A 106 -10.614 0.937 -5.739 1.00 54.71 C ATOM 980 H VAL A 106 -8.315 -0.104 -7.059 1.00 0.00 H ATOM 981 N PRO A 107 -7.072 -0.084 -2.972 1.00 51.58 N ATOM 982 CA PRO A 107 -7.497 1.163 -2.345 1.00 49.39 C ATOM 983 C PRO A 107 -6.438 2.239 -2.248 1.00 50.75 C ATOM 984 O PRO A 107 -6.731 3.284 -1.702 1.00 49.75 O ATOM 985 CB PRO A 107 -7.813 0.711 -0.935 1.00 47.82 C ATOM 986 CG PRO A 107 -6.806 -0.341 -0.693 1.00 49.29 C ATOM 987 CD PRO A 107 -6.805 -1.114 -1.966 1.00 51.22 C ATOM 988 N LYS A 108 -5.243 2.002 -2.760 1.00 53.09 N ATOM 989 CA LYS A 108 -4.171 2.967 -2.628 1.00 54.52 C ATOM 990 C LYS A 108 -4.527 4.290 -3.265 1.00 50.56 C ATOM 991 O LYS A 108 -4.201 5.328 -2.732 1.00 48.45 O ATOM 992 CB LYS A 108 -2.885 2.427 -3.250 1.00 61.91 C ATOM 993 CG LYS A 108 -1.593 2.926 -2.630 1.00 67.01 C ATOM 994 CD LYS A 108 -1.306 2.232 -1.307 1.00 68.99 C ATOM 995 CE LYS A 108 0.186 2.183 -1.009 1.00 71.61 C ATOM 996 NZ LYS A 108 0.792 0.864 -1.319 1.00 74.85 N ATOM 997 HZ1 LYS A 108 0.329 0.128 -0.748 1.00 0.00 H ATOM 998 HZ2 LYS A 108 0.662 0.653 -2.329 1.00 0.00 H ATOM 999 HZ3 LYS A 108 1.808 0.890 -1.097 1.00 0.00 H ATOM 1000 H LYS A 108 -5.070 1.110 -3.265 1.00 0.00 H ATOM 1001 N ALA A 109 -5.184 4.248 -4.410 1.00 49.78 N ATOM 1002 CA ALA A 109 -5.569 5.466 -5.089 1.00 48.88 C ATOM 1003 C ALA A 109 -6.546 6.234 -4.225 1.00 49.37 C ATOM 1004 O ALA A 109 -6.504 7.442 -4.178 1.00 50.48 O ATOM 1005 CB ALA A 109 -6.159 5.170 -6.450 1.00 47.96 C ATOM 1006 H ALA A 109 -5.428 3.328 -4.829 1.00 0.00 H ATOM 1007 N VAL A 110 -7.436 5.520 -3.554 1.00 49.48 N ATOM 1008 CA VAL A 110 -8.410 6.153 -2.684 1.00 49.21 C ATOM 1009 C VAL A 110 -7.779 6.771 -1.442 1.00 50.60 C ATOM 1010 O VAL A 110 -8.120 7.874 -1.065 1.00 49.95 O ATOM 1011 CB VAL A 110 -9.511 5.180 -2.281 1.00 48.33 C ATOM 1012 CG1 VAL A 110 -10.562 5.892 -1.470 1.00 45.71 C ATOM 1013 CG2 VAL A 110 -10.134 4.568 -3.513 1.00 50.60 C ATOM 1014 H VAL A 110 -7.437 4.485 -3.652 1.00 0.00 H ATOM 1015 N GLN A 111 -6.853 6.060 -0.815 1.00 52.98 N ATOM 1016 CA GLN A 111 -6.200 6.572 0.370 1.00 53.91 C ATOM 1017 C GLN A 111 -5.430 7.831 0.078 1.00 49.55 C ATOM 1018 O GLN A 111 -5.508 8.784 0.825 1.00 46.13 O ATOM 1019 CB GLN A 111 -5.204 5.555 0.927 1.00 62.77 C ATOM 1020 CG GLN A 111 -5.771 4.192 1.254 1.00 69.28 C ATOM 1021 CD GLN A 111 -4.700 3.127 1.476 1.00 76.06 C ATOM 1022 OE1 GLN A 111 -4.962 1.946 1.319 1.00 78.32 O ATOM 1023 NE2 GLN A 111 -3.505 3.539 1.855 1.00 78.72 N ATOM 1024 HE22 GLN A 111 -3.320 4.555 1.978 1.00 0.00 H ATOM 1025 HE21 GLN A 111 -2.748 2.848 2.031 1.00 0.00 H ATOM 1026 H GLN A 111 -6.592 5.122 -1.180 1.00 0.00 H ATOM 1027 N GLN A 112 -4.656 7.833 -0.989 1.00 50.96 N ATOM 1028 CA GLN A 112 -3.891 9.017 -1.313 1.00 53.25 C ATOM 1029 C GLN A 112 -4.773 10.203 -1.673 1.00 52.97 C ATOM 1030 O GLN A 112 -4.470 11.312 -1.285 1.00 52.07 O ATOM 1031 CB GLN A 112 -2.789 8.760 -2.352 1.00 57.42 C ATOM 1032 CG GLN A 112 -3.185 8.059 -3.638 1.00 60.05 C ATOM 1033 CD GLN A 112 -1.964 7.640 -4.446 1.00 65.00 C ATOM 1034 OE1 GLN A 112 -0.902 7.381 -3.891 1.00 67.26 O ATOM 1035 NE2 GLN A 112 -2.111 7.579 -5.755 1.00 67.29 N ATOM 1036 HE22 GLN A 112 -3.030 7.807 -6.186 1.00 0.00 H ATOM 1037 HE21 GLN A 112 -1.308 7.303 -6.356 1.00 0.00 H ATOM 1038 H GLN A 112 -4.596 6.989 -1.594 1.00 0.00 H ATOM 1039 N LYS A 113 -5.859 9.962 -2.400 1.00 54.29 N ATOM 1040 CA LYS A 113 -6.772 11.032 -2.806 1.00 55.44 C ATOM 1041 C LYS A 113 -7.397 11.698 -1.599 1.00 50.76 C ATOM 1042 O LYS A 113 -7.550 12.898 -1.576 1.00 47.28 O ATOM 1043 CB LYS A 113 -7.868 10.537 -3.755 1.00 61.27 C ATOM 1044 CG LYS A 113 -8.792 11.615 -4.332 1.00 67.48 C ATOM 1045 CD LYS A 113 -8.463 12.019 -5.773 1.00 75.87 C ATOM 1046 CE LYS A 113 -9.694 12.318 -6.670 1.00 81.20 C ATOM 1047 NZ LYS A 113 -10.465 11.185 -7.271 1.00 86.41 N ATOM 1048 HZ1 LYS A 113 -9.836 10.624 -7.880 1.00 0.00 H ATOM 1049 HZ2 LYS A 113 -10.843 10.583 -6.512 1.00 0.00 H ATOM 1050 HZ3 LYS A 113 -11.250 11.564 -7.838 1.00 0.00 H ATOM 1051 H LYS A 113 -6.066 8.985 -2.689 1.00 0.00 H ATOM 1052 N MET A 114 -7.729 10.965 -0.564 1.00 52.25 N ATOM 1053 CA MET A 114 -8.358 11.188 0.757 1.00 54.14 C ATOM 1054 C MET A 114 -7.498 12.085 1.668 1.00 54.37 C ATOM 1055 O MET A 114 -7.994 12.996 2.291 1.00 53.50 O ATOM 1056 CB MET A 114 -8.653 9.880 1.469 1.00 57.41 C ATOM 1057 CG MET A 114 -9.359 10.056 2.786 1.00 58.71 C ATOM 1058 SD MET A 114 -11.025 10.719 2.689 1.00 51.12 S ATOM 1059 CE MET A 114 -11.831 9.260 2.103 1.00 74.97 C ATOM 1060 H MET A 114 -7.487 9.964 -0.709 1.00 0.00 H ATOM 1061 N GLU A 115 -6.210 11.807 1.670 1.00 55.98 N ATOM 1062 CA GLU A 115 -5.291 12.614 2.416 1.00 56.23 C ATOM 1063 C GLU A 115 -5.349 13.982 1.786 1.00 51.57 C ATOM 1064 O GLU A 115 -5.363 14.988 2.464 1.00 50.12 O ATOM 1065 CB GLU A 115 -3.881 12.066 2.310 1.00 63.74 C ATOM 1066 CG GLU A 115 -3.698 10.733 2.995 1.00 69.79 C ATOM 1067 CD GLU A 115 -2.273 10.256 2.914 1.00 77.65 C ATOM 1068 OE1 GLU A 115 -2.049 9.045 3.048 1.00 80.35 O ATOM 1069 OE2 GLU A 115 -1.385 11.098 2.696 1.00 81.01 O ATOM 1070 H GLU A 115 -5.857 10.994 1.125 1.00 0.00 H ATOM 1071 N GLU A 116 -5.368 13.999 0.462 1.00 49.66 N ATOM 1072 CA GLU A 116 -5.433 15.235 -0.287 1.00 48.72 C ATOM 1073 C GLU A 116 -6.737 15.969 -0.035 1.00 44.11 C ATOM 1074 O GLU A 116 -6.755 17.172 0.098 1.00 45.19 O ATOM 1075 CB GLU A 116 -5.290 14.973 -1.783 1.00 53.62 C ATOM 1076 CG GLU A 116 -3.865 14.780 -2.278 1.00 60.93 C ATOM 1077 CD GLU A 116 -3.795 14.295 -3.716 1.00 68.11 C ATOM 1078 OE1 GLU A 116 -4.815 13.866 -4.266 1.00 68.94 O ATOM 1079 OE2 GLU A 116 -2.711 14.339 -4.304 1.00 71.39 O ATOM 1080 H GLU A 116 -5.335 13.097 -0.055 1.00 0.00 H ATOM 1081 N VAL A 117 -7.834 15.234 0.004 1.00 40.22 N ATOM 1082 CA VAL A 117 -9.135 15.833 0.222 1.00 37.74 C ATOM 1083 C VAL A 117 -9.210 16.480 1.587 1.00 37.08 C ATOM 1084 O VAL A 117 -9.675 17.592 1.722 1.00 36.49 O ATOM 1085 CB VAL A 117 -10.245 14.777 0.088 1.00 33.55 C ATOM 1086 CG1 VAL A 117 -11.586 15.312 0.536 1.00 33.11 C ATOM 1087 CG2 VAL A 117 -10.313 14.268 -1.328 1.00 33.80 C ATOM 1088 H VAL A 117 -7.762 14.204 -0.124 1.00 0.00 H ATOM 1089 N HIS A 118 -8.738 15.773 2.598 1.00 39.41 N ATOM 1090 CA HIS A 118 -8.775 16.291 3.948 1.00 41.44 C ATOM 1091 C HIS A 118 -7.963 17.558 4.007 1.00 43.84 C ATOM 1092 O HIS A 118 -8.357 18.510 4.632 1.00 45.08 O ATOM 1093 CB HIS A 118 -8.247 15.271 4.944 1.00 44.30 C ATOM 1094 CG HIS A 118 -9.217 14.185 5.263 1.00 47.10 C ATOM 1095 ND1 HIS A 118 -10.474 14.435 5.760 1.00 47.54 N ATOM 1096 CD2 HIS A 118 -9.118 12.844 5.158 1.00 48.23 C ATOM 1097 CE1 HIS A 118 -11.108 13.295 5.943 1.00 48.47 C ATOM 1098 NE2 HIS A 118 -10.309 12.314 5.582 1.00 48.69 N ATOM 1099 H HIS A 118 -8.334 14.831 2.421 1.00 0.00 H ATOM 1100 N HIS A 119 -6.829 17.576 3.338 1.00 45.51 N ATOM 1101 CA HIS A 119 -6.007 18.764 3.333 1.00 48.04 C ATOM 1102 C HIS A 119 -6.727 19.928 2.676 1.00 49.96 C ATOM 1103 O HIS A 119 -6.683 21.034 3.176 1.00 52.79 O ATOM 1104 CB HIS A 119 -4.681 18.491 2.629 1.00 51.31 C ATOM 1105 CG HIS A 119 -3.748 19.655 2.625 1.00 54.31 C ATOM 1106 ND1 HIS A 119 -3.507 20.406 1.500 1.00 56.10 N ATOM 1107 CD2 HIS A 119 -3.002 20.202 3.609 1.00 55.36 C ATOM 1108 CE1 HIS A 119 -2.656 21.369 1.791 1.00 58.16 C ATOM 1109 NE2 HIS A 119 -2.335 21.267 3.064 1.00 57.66 N ATOM 1110 H HIS A 119 -6.524 16.732 2.812 1.00 0.00 H ATOM 1111 N TYR A 120 -7.383 19.678 1.555 1.00 48.72 N ATOM 1112 CA TYR A 120 -8.113 20.718 0.842 1.00 48.67 C ATOM 1113 C TYR A 120 -9.291 21.301 1.604 1.00 46.49 C ATOM 1114 O TYR A 120 -9.515 22.494 1.563 1.00 47.11 O ATOM 1115 CB TYR A 120 -8.614 20.200 -0.498 1.00 49.75 C ATOM 1116 CG TYR A 120 -9.399 21.204 -1.298 1.00 50.70 C ATOM 1117 CD1 TYR A 120 -8.770 22.213 -1.979 1.00 52.05 C ATOM 1118 CD2 TYR A 120 -10.765 21.131 -1.384 1.00 50.23 C ATOM 1119 CE1 TYR A 120 -9.476 23.130 -2.715 1.00 52.42 C ATOM 1120 CE2 TYR A 120 -11.481 22.041 -2.127 1.00 50.30 C ATOM 1121 CZ TYR A 120 -10.827 23.043 -2.787 1.00 50.88 C ATOM 1122 OH TYR A 120 -11.520 23.955 -3.525 1.00 50.49 O ATOM 1123 HH TYR A 120 -12.157 24.436 -2.939 1.00 0.00 H ATOM 1124 H TYR A 120 -7.378 18.711 1.171 1.00 0.00 H ATOM 1125 N ILE A 121 -10.032 20.461 2.310 1.00 44.47 N ATOM 1126 CA ILE A 121 -11.203 20.916 3.038 1.00 43.53 C ATOM 1127 C ILE A 121 -10.847 21.620 4.342 1.00 49.16 C ATOM 1128 O ILE A 121 -11.704 22.104 5.034 1.00 49.68 O ATOM 1129 CB ILE A 121 -12.254 19.807 3.225 1.00 39.80 C ATOM 1130 CG1 ILE A 121 -11.714 18.669 4.061 1.00 38.31 C ATOM 1131 CG2 ILE A 121 -12.712 19.287 1.880 1.00 39.26 C ATOM 1132 CD1 ILE A 121 -12.754 17.631 4.376 1.00 37.22 C ATOM 1133 H ILE A 121 -9.770 19.455 2.344 1.00 0.00 H ATOM 1134 N HIS A 122 -9.563 21.707 4.619 1.00 58.46 N ATOM 1135 CA HIS A 122 -9.049 22.381 5.794 1.00 75.45 C ATOM 1136 C HIS A 122 -9.448 23.842 5.726 1.00 87.47 C ATOM 1137 O HIS A 122 -9.588 24.497 6.736 1.00 95.68 O ATOM 1138 CB HIS A 122 -7.522 22.307 5.830 1.00 73.55 C ATOM 1139 CG HIS A 122 -6.974 21.364 6.841 1.00 76.57 C ATOM 1140 ND1 HIS A 122 -6.853 21.695 8.170 1.00 79.35 N ATOM 1141 CD2 HIS A 122 -6.467 20.117 6.714 1.00 78.82 C ATOM 1142 CE1 HIS A 122 -6.321 20.680 8.824 1.00 80.60 C ATOM 1143 NE2 HIS A 122 -6.075 19.711 7.961 1.00 79.97 N ATOM 1144 H HIS A 122 -8.885 21.271 3.962 1.00 0.00 H ATOM 1145 N GLN A 123 -9.605 24.340 4.512 1.00 81.55 N ATOM 1146 CA GLN A 123 -9.930 25.732 4.280 1.00 74.10 C ATOM 1147 C GLN A 123 -11.421 26.039 4.288 1.00 54.42 C ATOM 1148 O GLN A 123 -11.824 27.167 4.092 1.00 49.03 O ATOM 1149 CB GLN A 123 -9.315 26.166 2.955 1.00 85.28 C ATOM 1150 CG GLN A 123 -7.802 26.073 2.918 1.00 94.05 C ATOM 1151 CD GLN A 123 -7.199 27.094 1.986 1.00101.42 C ATOM 1152 OE1 GLN A 123 -7.504 27.117 0.800 1.00103.62 O ATOM 1153 NE2 GLN A 123 -6.355 27.958 2.522 1.00104.82 N ATOM 1154 HE22 GLN A 123 -6.125 27.901 3.535 1.00 0.00 H ATOM 1155 HE21 GLN A 123 -5.921 28.695 1.931 1.00 0.00 H ATOM 1156 H GLN A 123 -9.491 23.709 3.693 1.00 0.00 H ATOM 1157 N TYR A 124 -12.224 25.024 4.536 1.00 43.65 N ATOM 1158 CA TYR A 124 -13.667 25.154 4.535 1.00 37.53 C ATOM 1159 C TYR A 124 -14.243 24.644 5.837 1.00 34.60 C ATOM 1160 O TYR A 124 -15.208 23.916 5.860 1.00 33.40 O ATOM 1161 CB TYR A 124 -14.249 24.368 3.372 1.00 36.08 C ATOM 1162 CG TYR A 124 -13.773 24.808 2.019 1.00 37.30 C ATOM 1163 CD1 TYR A 124 -14.497 25.704 1.267 1.00 37.51 C ATOM 1164 CD2 TYR A 124 -12.610 24.329 1.495 1.00 38.88 C ATOM 1165 CE1 TYR A 124 -14.062 26.110 0.027 1.00 40.03 C ATOM 1166 CE2 TYR A 124 -12.169 24.728 0.260 1.00 41.42 C ATOM 1167 CZ TYR A 124 -12.902 25.619 -0.469 1.00 42.33 C ATOM 1168 OH TYR A 124 -12.451 26.003 -1.687 1.00 44.91 O ATOM 1169 HH TYR A 124 -12.371 25.209 -2.273 1.00 0.00 H ATOM 1170 H TYR A 124 -11.806 24.094 4.740 1.00 0.00 H ATOM 1171 N GLN A 125 -13.633 25.077 6.917 1.00 34.25 N ATOM 1172 CA GLN A 125 -13.984 24.637 8.257 1.00 36.59 C ATOM 1173 C GLN A 125 -15.416 24.922 8.688 1.00 33.67 C ATOM 1174 O GLN A 125 -16.015 24.110 9.363 1.00 34.54 O ATOM 1175 CB GLN A 125 -13.008 25.235 9.264 1.00 46.75 C ATOM 1176 CG GLN A 125 -12.782 24.393 10.483 1.00 55.73 C ATOM 1177 CD GLN A 125 -12.167 23.050 10.168 1.00 63.24 C ATOM 1178 OE1 GLN A 125 -11.071 22.963 9.642 1.00 65.79 O ATOM 1179 NE2 GLN A 125 -12.873 21.999 10.498 1.00 65.55 N ATOM 1180 HE22 GLN A 125 -13.804 22.118 10.945 1.00 0.00 H ATOM 1181 HE21 GLN A 125 -12.503 21.045 10.313 1.00 0.00 H ATOM 1182 H GLN A 125 -12.863 25.767 6.808 1.00 0.00 H ATOM 1183 N ALA A 126 -15.960 26.067 8.308 1.00 28.93 N ATOM 1184 CA ALA A 126 -17.323 26.414 8.665 1.00 25.60 C ATOM 1185 C ALA A 126 -18.346 25.755 7.761 1.00 23.57 C ATOM 1186 O ALA A 126 -19.525 25.813 8.030 1.00 23.93 O ATOM 1187 CB ALA A 126 -17.521 27.916 8.649 1.00 25.74 C ATOM 1188 H ALA A 126 -15.398 26.733 7.741 1.00 0.00 H ATOM 1189 N ASN A 127 -17.881 25.169 6.671 1.00 22.38 N ATOM 1190 CA ASN A 127 -18.765 24.528 5.722 1.00 22.56 C ATOM 1191 C ASN A 127 -18.855 22.991 5.786 1.00 24.02 C ATOM 1192 O ASN A 127 -19.865 22.431 5.444 1.00 22.96 O ATOM 1193 CB ASN A 127 -18.433 25.002 4.311 1.00 23.49 C ATOM 1194 CG ASN A 127 -18.519 26.516 4.164 1.00 26.45 C ATOM 1195 OD1 ASN A 127 -17.573 27.155 3.748 1.00 28.64 O ATOM 1196 ND2 ASN A 127 -19.648 27.079 4.514 1.00 25.61 N ATOM 1197 HD22 ASN A 127 -20.433 26.495 4.865 1.00 0.00 H ATOM 1198 HD21 ASN A 127 -19.759 28.110 4.441 1.00 0.00 H ATOM 1199 H ASN A 127 -16.857 25.169 6.492 1.00 0.00 H ATOM 1200 N THR A 128 -17.794 22.329 6.223 1.00 25.66 N ATOM 1201 CA THR A 128 -17.798 20.881 6.368 1.00 26.77 C ATOM 1202 C THR A 128 -18.639 20.485 7.577 1.00 27.44 C ATOM 1203 O THR A 128 -18.787 21.258 8.489 1.00 28.40 O ATOM 1204 CB THR A 128 -16.384 20.317 6.526 1.00 26.39 C ATOM 1205 OG1 THR A 128 -15.680 21.042 7.526 1.00 26.75 O ATOM 1206 CG2 THR A 128 -15.651 20.406 5.248 1.00 26.21 C ATOM 1207 HG1 THR A 128 -16.160 20.964 8.388 1.00 0.00 H ATOM 1208 H THR A 128 -16.934 22.859 6.469 1.00 0.00 H ATOM 1209 N VAL A 129 -19.193 19.283 7.569 1.00 26.54 N ATOM 1210 CA VAL A 129 -20.008 18.799 8.673 1.00 25.63 C ATOM 1211 C VAL A 129 -19.396 17.531 9.265 1.00 28.32 C ATOM 1212 O VAL A 129 -19.553 16.433 8.775 1.00 27.18 O ATOM 1213 CB VAL A 129 -21.441 18.563 8.223 1.00 23.86 C ATOM 1214 CG1 VAL A 129 -22.355 18.428 9.408 1.00 23.42 C ATOM 1215 CG2 VAL A 129 -21.885 19.681 7.311 1.00 23.73 C ATOM 1216 H VAL A 129 -19.041 18.664 6.747 1.00 0.00 H ATOM 1217 N LYS A 130 -18.683 17.743 10.371 1.00 31.83 N ATOM 1218 CA LYS A 130 -17.927 16.722 11.105 1.00 39.10 C ATOM 1219 C LYS A 130 -18.728 15.574 11.661 1.00 29.49 C ATOM 1220 O LYS A 130 -18.259 14.470 11.695 1.00 26.81 O ATOM 1221 CB LYS A 130 -17.173 17.344 12.291 1.00 64.90 C ATOM 1222 CG LYS A 130 -15.791 17.851 11.982 1.00 98.10 C ATOM 1223 CD LYS A 130 -15.414 19.038 12.874 1.00135.93 C ATOM 1224 CE LYS A 130 -15.327 18.702 14.355 1.00125.82 C ATOM 1225 NZ LYS A 130 -16.640 18.656 15.054 1.00119.57 N ATOM 1226 HZ1 LYS A 130 -17.103 19.584 14.980 1.00 0.00 H ATOM 1227 HZ2 LYS A 130 -17.241 17.931 14.613 1.00 0.00 H ATOM 1228 HZ3 LYS A 130 -16.490 18.421 16.056 1.00 0.00 H ATOM 1229 H LYS A 130 -18.661 18.713 10.745 1.00 0.00 H ATOM 1230 N SER A 131 -19.913 15.855 12.142 1.00 27.26 N ATOM 1231 CA SER A 131 -20.748 14.823 12.719 1.00 29.64 C ATOM 1232 C SER A 131 -21.519 14.040 11.660 1.00 27.12 C ATOM 1233 O SER A 131 -22.143 13.051 11.954 1.00 27.45 O ATOM 1234 CB SER A 131 -21.720 15.459 13.703 1.00 33.99 C ATOM 1235 OG SER A 131 -22.570 16.369 13.047 1.00 36.91 O ATOM 1236 HG SER A 131 -23.192 16.770 13.704 1.00 0.00 H ATOM 1237 H SER A 131 -20.260 16.835 12.109 1.00 0.00 H ATOM 1238 N ALA A 132 -21.468 14.526 10.435 1.00 24.14 N ATOM 1239 CA ALA A 132 -22.144 13.917 9.323 1.00 23.54 C ATOM 1240 C ALA A 132 -21.290 12.860 8.632 1.00 26.38 C ATOM 1241 O ALA A 132 -20.100 13.005 8.493 1.00 27.06 O ATOM 1242 CB ALA A 132 -22.571 14.970 8.333 1.00 21.65 C ATOM 1243 H ALA A 132 -20.913 15.389 10.266 1.00 0.00 H ATOM 1244 N PRO A 133 -21.905 11.785 8.190 1.00 25.12 N ATOM 1245 CA PRO A 133 -21.161 10.725 7.510 1.00 23.99 C ATOM 1246 C PRO A 133 -20.608 11.125 6.160 1.00 22.03 C ATOM 1247 O PRO A 133 -21.273 11.793 5.435 1.00 19.74 O ATOM 1248 CB PRO A 133 -22.206 9.635 7.308 1.00 25.63 C ATOM 1249 CG PRO A 133 -23.290 9.936 8.252 1.00 27.01 C ATOM 1250 CD PRO A 133 -23.293 11.406 8.447 1.00 26.70 C ATOM 1251 N PHE A 134 -19.401 10.697 5.840 1.00 21.77 N ATOM 1252 CA PHE A 134 -18.821 10.934 4.531 1.00 23.43 C ATOM 1253 C PHE A 134 -18.548 9.556 3.966 1.00 25.48 C ATOM 1254 O PHE A 134 -18.377 8.615 4.712 1.00 26.16 O ATOM 1255 CB PHE A 134 -17.589 11.825 4.537 1.00 23.56 C ATOM 1256 CG PHE A 134 -16.413 11.267 5.265 1.00 24.40 C ATOM 1257 CD1 PHE A 134 -15.438 10.593 4.591 1.00 24.49 C ATOM 1258 CD2 PHE A 134 -16.265 11.457 6.614 1.00 27.33 C ATOM 1259 CE1 PHE A 134 -14.342 10.094 5.247 1.00 26.14 C ATOM 1260 CE2 PHE A 134 -15.169 10.962 7.278 1.00 28.49 C ATOM 1261 CZ PHE A 134 -14.209 10.278 6.590 1.00 27.60 C ATOM 1262 H PHE A 134 -18.848 10.173 6.548 1.00 0.00 H ATOM 1263 N PHE A 135 -18.550 9.429 2.654 1.00 25.71 N ATOM 1264 CA PHE A 135 -18.380 8.122 2.056 1.00 26.73 C ATOM 1265 C PHE A 135 -17.687 8.022 0.721 1.00 30.21 C ATOM 1266 O PHE A 135 -17.551 8.979 -0.006 1.00 30.68 O ATOM 1267 CB PHE A 135 -19.737 7.436 1.937 1.00 27.20 C ATOM 1268 CG PHE A 135 -20.733 8.167 1.091 1.00 29.95 C ATOM 1269 CD1 PHE A 135 -20.813 7.944 -0.264 1.00 32.28 C ATOM 1270 CD2 PHE A 135 -21.627 9.034 1.658 1.00 31.69 C ATOM 1271 CE1 PHE A 135 -21.745 8.592 -1.037 1.00 33.35 C ATOM 1272 CE2 PHE A 135 -22.563 9.685 0.890 1.00 33.06 C ATOM 1273 CZ PHE A 135 -22.618 9.467 -0.460 1.00 33.35 C ATOM 1274 H PHE A 135 -18.673 10.266 2.050 1.00 0.00 H ATOM 1275 N GLU A 136 -17.275 6.798 0.432 1.00 33.02 N ATOM 1276 CA GLU A 136 -16.637 6.420 -0.811 1.00 34.18 C ATOM 1277 C GLU A 136 -17.705 5.652 -1.550 1.00 32.59 C ATOM 1278 O GLU A 136 -18.379 4.816 -0.980 1.00 31.72 O ATOM 1279 CB GLU A 136 -15.433 5.516 -0.579 1.00 37.87 C ATOM 1280 CG GLU A 136 -14.328 6.114 0.248 1.00 40.25 C ATOM 1281 CD GLU A 136 -13.654 5.110 1.159 1.00 45.06 C ATOM 1282 OE1 GLU A 136 -13.705 3.902 0.900 1.00 46.06 O ATOM 1283 OE2 GLU A 136 -13.063 5.539 2.154 1.00 47.94 O ATOM 1284 H GLU A 136 -17.420 6.057 1.147 1.00 0.00 H ATOM 1285 N LEU A 137 -17.874 5.960 -2.818 1.00 31.45 N ATOM 1286 CA LEU A 137 -18.860 5.277 -3.623 1.00 32.54 C ATOM 1287 C LEU A 137 -18.137 4.472 -4.683 1.00 33.69 C ATOM 1288 O LEU A 137 -17.379 5.024 -5.450 1.00 34.56 O ATOM 1289 CB LEU A 137 -19.794 6.278 -4.268 1.00 33.33 C ATOM 1290 CG LEU A 137 -20.870 5.704 -5.157 1.00 37.64 C ATOM 1291 CD1 LEU A 137 -21.907 4.974 -4.346 1.00 38.37 C ATOM 1292 CD2 LEU A 137 -21.509 6.818 -5.938 1.00 38.20 C ATOM 1293 H LEU A 137 -17.289 6.706 -3.247 1.00 0.00 H ATOM 1294 N TYR A 138 -18.373 3.165 -4.701 1.00 35.15 N ATOM 1295 CA TYR A 138 -17.721 2.273 -5.656 1.00 38.26 C ATOM 1296 C TYR A 138 -18.652 1.749 -6.733 1.00 43.44 C ATOM 1297 O TYR A 138 -19.504 0.927 -6.487 1.00 41.43 O ATOM 1298 CB TYR A 138 -17.095 1.100 -4.908 1.00 37.97 C ATOM 1299 CG TYR A 138 -16.016 1.520 -3.965 1.00 37.04 C ATOM 1300 CD1 TYR A 138 -14.744 1.733 -4.410 1.00 38.06 C ATOM 1301 CD2 TYR A 138 -16.279 1.738 -2.637 1.00 36.40 C ATOM 1302 CE1 TYR A 138 -13.753 2.136 -3.565 1.00 38.55 C ATOM 1303 CE2 TYR A 138 -15.290 2.143 -1.780 1.00 37.35 C ATOM 1304 CZ TYR A 138 -14.026 2.347 -2.257 1.00 38.38 C ATOM 1305 OH TYR A 138 -13.024 2.749 -1.441 1.00 38.51 O ATOM 1306 HH TYR A 138 -13.259 3.621 -1.037 1.00 0.00 H ATOM 1307 H TYR A 138 -19.043 2.764 -4.014 1.00 0.00 H ATOM 1308 N GLN A 139 -18.470 2.249 -7.941 1.00 51.29 N ATOM 1309 CA GLN A 139 -19.271 1.828 -9.084 1.00 58.80 C ATOM 1310 C GLN A 139 -18.825 0.472 -9.615 1.00 56.71 C ATOM 1311 O GLN A 139 -17.745 0.010 -9.303 1.00 52.55 O ATOM 1312 CB GLN A 139 -19.171 2.848 -10.207 1.00 68.45 C ATOM 1313 CG GLN A 139 -17.858 2.797 -10.955 1.00 76.08 C ATOM 1314 CD GLN A 139 -17.758 3.836 -12.034 1.00 84.29 C ATOM 1315 OE1 GLN A 139 -18.674 4.017 -12.825 1.00 85.90 O ATOM 1316 NE2 GLN A 139 -16.640 4.527 -12.075 1.00 89.74 N ATOM 1317 HE22 GLN A 139 -15.887 4.340 -11.382 1.00 0.00 H ATOM 1318 HE21 GLN A 139 -16.509 5.261 -12.800 1.00 0.00 H ATOM 1319 H GLN A 139 -17.731 2.967 -8.082 1.00 0.00 H ATOM 1320 N ASP A 140 -19.658 -0.137 -10.446 1.00 59.81 N ATOM 1321 CA ASP A 140 -19.334 -1.422 -11.059 1.00 64.96 C ATOM 1322 C ASP A 140 -18.103 -1.229 -11.937 1.00 64.35 C ATOM 1323 O ASP A 140 -17.970 -0.211 -12.590 1.00 64.83 O ATOM 1324 CB ASP A 140 -20.522 -1.931 -11.894 1.00 71.76 C ATOM 1325 CG ASP A 140 -21.506 -2.741 -11.078 1.00 75.92 C ATOM 1326 OD1 ASP A 140 -21.295 -2.850 -9.863 1.00 77.49 O ATOM 1327 OD2 ASP A 140 -22.481 -3.284 -11.634 1.00 77.53 O ATOM 1328 H ASP A 140 -20.569 0.313 -10.668 1.00 0.00 H ATOM 1329 N GLY A 141 -17.189 -2.191 -11.944 1.00 62.98 N ATOM 1330 CA GLY A 141 -15.989 -2.073 -12.745 1.00 62.55 C ATOM 1331 C GLY A 141 -14.820 -2.821 -12.150 1.00 63.06 C ATOM 1332 O GLY A 141 -14.975 -3.500 -11.147 1.00 60.98 O ATOM 1333 H GLY A 141 -17.337 -3.042 -11.365 1.00 0.00 H ATOM 1334 N ASP A 142 -13.648 -2.704 -12.754 1.00 68.33 N ATOM 1335 CA ASP A 142 -12.503 -3.410 -12.221 1.00 73.30 C ATOM 1336 C ASP A 142 -11.713 -2.475 -11.367 1.00 74.05 C ATOM 1337 O ASP A 142 -11.172 -1.484 -11.841 1.00 74.00 O ATOM 1338 CB ASP A 142 -11.607 -3.970 -13.322 1.00 77.90 C ATOM 1339 CG ASP A 142 -10.422 -4.732 -12.763 1.00 80.96 C ATOM 1340 OD1 ASP A 142 -10.439 -5.973 -12.821 1.00 81.10 O ATOM 1341 OD2 ASP A 142 -9.491 -4.091 -12.240 1.00 83.67 O ATOM 1342 H ASP A 142 -13.551 -2.111 -13.603 1.00 0.00 H ATOM 1343 N THR A 143 -11.656 -2.826 -10.095 1.00 75.01 N ATOM 1344 CA THR A 143 -10.959 -2.071 -9.060 1.00 75.38 C ATOM 1345 C THR A 143 -9.477 -1.975 -9.330 1.00 72.83 C ATOM 1346 O THR A 143 -8.834 -1.000 -8.987 1.00 69.03 O ATOM 1347 CB THR A 143 -11.165 -2.725 -7.692 1.00 79.84 C ATOM 1348 OG1 THR A 143 -12.548 -2.657 -7.348 1.00 80.21 O ATOM 1349 CG2 THR A 143 -10.376 -2.032 -6.636 1.00 83.90 C ATOM 1350 HG1 THR A 143 -12.688 -3.079 -6.463 1.00 0.00 H ATOM 1351 H THR A 143 -12.142 -3.701 -9.812 1.00 0.00 H ATOM 1352 N THR A 144 -8.959 -3.024 -9.935 1.00 75.86 N ATOM 1353 CA THR A 144 -7.546 -3.155 -10.259 1.00 77.57 C ATOM 1354 C THR A 144 -7.032 -2.143 -11.268 1.00 78.57 C ATOM 1355 O THR A 144 -5.901 -1.680 -11.187 1.00 79.52 O ATOM 1356 CB THR A 144 -7.278 -4.563 -10.770 1.00 80.79 C ATOM 1357 OG1 THR A 144 -8.237 -4.860 -11.790 1.00 83.84 O ATOM 1358 CG2 THR A 144 -7.461 -5.550 -9.619 1.00 79.45 C ATOM 1359 HG1 THR A 144 -9.149 -4.804 -11.410 1.00 0.00 H ATOM 1360 H THR A 144 -9.596 -3.803 -10.196 1.00 0.00 H ATOM 1361 N SER A 145 -7.871 -1.803 -12.219 1.00 79.14 N ATOM 1362 CA SER A 145 -7.457 -0.899 -13.261 1.00 81.62 C ATOM 1363 C SER A 145 -7.076 0.411 -12.676 1.00 79.42 C ATOM 1364 O SER A 145 -7.652 0.864 -11.703 1.00 76.26 O ATOM 1365 CB SER A 145 -8.570 -0.709 -14.271 1.00 84.26 C ATOM 1366 OG SER A 145 -9.407 -1.842 -14.237 1.00 87.87 O ATOM 1367 HG SER A 145 -9.789 -1.942 -13.329 1.00 0.00 H ATOM 1368 H SER A 145 -8.837 -2.188 -12.220 1.00 0.00 H ATOM 1369 N GLU A 146 -6.089 1.021 -13.299 1.00 81.91 N ATOM 1370 CA GLU A 146 -5.581 2.291 -12.859 1.00 81.50 C ATOM 1371 C GLU A 146 -6.361 3.425 -13.527 1.00 75.47 C ATOM 1372 O GLU A 146 -6.000 4.586 -13.433 1.00 73.64 O ATOM 1373 CB GLU A 146 -4.075 2.376 -13.082 1.00 90.15 C ATOM 1374 CG GLU A 146 -3.363 3.318 -12.125 1.00 93.46 C ATOM 1375 CD GLU A 146 -3.434 4.747 -12.612 1.00 94.72 C ATOM 1376 OE1 GLU A 146 -3.504 4.922 -13.848 1.00 96.59 O ATOM 1377 OE2 GLU A 146 -3.437 5.683 -11.783 1.00 93.44 O ATOM 1378 H GLU A 146 -5.665 0.570 -14.134 1.00 0.00 H ATOM 1379 N LYS A 147 -7.437 3.045 -14.189 1.00 72.41 N ATOM 1380 CA LYS A 147 -8.342 3.990 -14.794 1.00 68.28 C ATOM 1381 C LYS A 147 -9.660 3.979 -14.005 1.00 63.17 C ATOM 1382 O LYS A 147 -10.583 4.706 -14.345 1.00 62.83 O ATOM 1383 CB LYS A 147 -8.590 3.666 -16.271 1.00 70.26 C ATOM 1384 CG LYS A 147 -7.543 4.238 -17.215 1.00 71.92 C ATOM 1385 CD LYS A 147 -7.887 3.995 -18.672 1.00 74.63 C ATOM 1386 CE LYS A 147 -7.524 2.588 -19.110 1.00 77.03 C ATOM 1387 NZ LYS A 147 -7.845 2.324 -20.538 1.00 79.83 N ATOM 1388 HZ1 LYS A 147 -8.866 2.450 -20.692 1.00 0.00 H ATOM 1389 HZ2 LYS A 147 -7.318 2.989 -21.139 1.00 0.00 H ATOM 1390 HZ3 LYS A 147 -7.575 1.349 -20.778 1.00 0.00 H ATOM 1391 H LYS A 147 -7.639 2.029 -14.277 1.00 0.00 H ATOM 1392 N TYR A 148 -9.735 3.147 -12.976 1.00 59.39 N ATOM 1393 CA TYR A 148 -10.927 3.057 -12.151 1.00 54.92 C ATOM 1394 C TYR A 148 -11.161 4.311 -11.332 1.00 52.29 C ATOM 1395 O TYR A 148 -10.236 4.908 -10.812 1.00 51.30 O ATOM 1396 CB TYR A 148 -10.849 1.878 -11.202 1.00 54.21 C ATOM 1397 CG TYR A 148 -12.078 1.734 -10.359 1.00 52.61 C ATOM 1398 CD1 TYR A 148 -13.169 1.054 -10.823 1.00 50.24 C ATOM 1399 CD2 TYR A 148 -12.153 2.295 -9.102 1.00 54.74 C ATOM 1400 CE1 TYR A 148 -14.305 0.920 -10.062 1.00 49.15 C ATOM 1401 CE2 TYR A 148 -13.283 2.162 -8.335 1.00 53.92 C ATOM 1402 CZ TYR A 148 -14.359 1.479 -8.821 1.00 50.81 C ATOM 1403 OH TYR A 148 -15.492 1.337 -8.070 1.00 49.63 O ATOM 1404 HH TYR A 148 -16.162 0.817 -8.581 1.00 0.00 H ATOM 1405 H TYR A 148 -8.919 2.542 -12.753 1.00 0.00 H ATOM 1406 N ILE A 149 -12.417 4.695 -11.217 1.00 51.56 N ATOM 1407 CA ILE A 149 -12.764 5.883 -10.474 1.00 48.75 C ATOM 1408 C ILE A 149 -13.639 5.606 -9.264 1.00 47.79 C ATOM 1409 O ILE A 149 -14.697 5.006 -9.351 1.00 47.34 O ATOM 1410 CB ILE A 149 -13.437 6.900 -11.407 1.00 58.96 C ATOM 1411 CG1 ILE A 149 -12.414 7.449 -12.388 1.00 61.16 C ATOM 1412 CG2 ILE A 149 -14.037 8.064 -10.649 1.00 54.79 C ATOM 1413 CD1 ILE A 149 -13.039 8.189 -13.538 1.00 61.93 C ATOM 1414 H ILE A 149 -13.168 4.134 -11.668 1.00 0.00 H ATOM 1415 N THR A 150 -13.152 6.082 -8.132 1.00 46.79 N ATOM 1416 CA THR A 150 -13.842 5.980 -6.870 1.00 44.09 C ATOM 1417 C THR A 150 -14.262 7.398 -6.540 1.00 42.86 C ATOM 1418 O THR A 150 -13.484 8.316 -6.693 1.00 44.31 O ATOM 1419 CB THR A 150 -12.930 5.479 -5.758 1.00 42.02 C ATOM 1420 OG1 THR A 150 -12.428 4.191 -6.094 1.00 44.61 O ATOM 1421 CG2 THR A 150 -13.682 5.396 -4.469 1.00 38.34 C ATOM 1422 HG1 THR A 150 -11.916 4.248 -6.939 1.00 0.00 H ATOM 1423 H THR A 150 -12.225 6.554 -8.152 1.00 0.00 H ATOM 1424 N GLU A 151 -15.493 7.572 -6.099 1.00 41.33 N ATOM 1425 CA GLU A 151 -15.995 8.887 -5.757 1.00 40.27 C ATOM 1426 C GLU A 151 -15.979 9.069 -4.263 1.00 35.62 C ATOM 1427 O GLU A 151 -16.343 8.173 -3.532 1.00 35.69 O ATOM 1428 CB GLU A 151 -17.421 9.086 -6.244 1.00 41.94 C ATOM 1429 CG GLU A 151 -17.569 9.440 -7.710 1.00 43.88 C ATOM 1430 CD GLU A 151 -19.009 9.623 -8.117 1.00 43.67 C ATOM 1431 OE1 GLU A 151 -19.881 9.561 -7.260 1.00 41.56 O ATOM 1432 OE2 GLU A 151 -19.273 9.823 -9.302 1.00 45.88 O ATOM 1433 H GLU A 151 -16.117 6.747 -5.995 1.00 0.00 H ATOM 1434 N ILE A 152 -15.551 10.240 -3.826 1.00 32.85 N ATOM 1435 CA ILE A 152 -15.501 10.574 -2.420 1.00 32.30 C ATOM 1436 C ILE A 152 -16.483 11.699 -2.156 1.00 32.36 C ATOM 1437 O ILE A 152 -16.368 12.776 -2.708 1.00 34.47 O ATOM 1438 CB ILE A 152 -14.094 11.003 -2.018 1.00 33.64 C ATOM 1439 CG1 ILE A 152 -13.123 9.844 -2.198 1.00 36.34 C ATOM 1440 CG2 ILE A 152 -14.079 11.511 -0.597 1.00 32.73 C ATOM 1441 CD1 ILE A 152 -11.700 10.187 -1.887 1.00 38.34 C ATOM 1442 H ILE A 152 -15.238 10.949 -4.520 1.00 0.00 H ATOM 1443 N TRP A 153 -17.454 11.435 -1.301 1.00 30.91 N ATOM 1444 CA TRP A 153 -18.480 12.405 -0.988 1.00 29.80 C ATOM 1445 C TRP A 153 -18.336 13.007 0.400 1.00 28.78 C ATOM 1446 O TRP A 153 -18.523 12.321 1.378 1.00 29.28 O ATOM 1447 CB TRP A 153 -19.840 11.725 -1.084 1.00 28.37 C ATOM 1448 CG TRP A 153 -20.272 11.325 -2.439 1.00 30.57 C ATOM 1449 CD1 TRP A 153 -19.642 10.483 -3.278 1.00 32.06 C ATOM 1450 CD2 TRP A 153 -21.466 11.727 -3.100 1.00 31.27 C ATOM 1451 NE1 TRP A 153 -20.351 10.341 -4.433 1.00 34.28 N ATOM 1452 CE2 TRP A 153 -21.481 11.100 -4.348 1.00 33.14 C ATOM 1453 CE3 TRP A 153 -22.518 12.574 -2.762 1.00 31.34 C ATOM 1454 CZ2 TRP A 153 -22.502 11.290 -5.258 1.00 34.09 C ATOM 1455 CZ3 TRP A 153 -23.525 12.755 -3.656 1.00 32.74 C ATOM 1456 CH2 TRP A 153 -23.514 12.120 -4.894 1.00 34.24 C ATOM 1457 HE1 TRP A 153 -20.076 9.752 -5.245 1.00 0.00 H ATOM 1458 H TRP A 153 -17.482 10.503 -0.840 1.00 0.00 H ATOM 1459 N MET A 154 -18.016 14.294 0.465 1.00 26.97 N ATOM 1460 CA MET A 154 -17.876 15.007 1.726 1.00 26.83 C ATOM 1461 C MET A 154 -19.043 15.976 1.922 1.00 26.11 C ATOM 1462 O MET A 154 -19.253 16.862 1.130 1.00 25.89 O ATOM 1463 CB MET A 154 -16.570 15.786 1.775 1.00 28.95 C ATOM 1464 CG MET A 154 -15.331 14.993 1.413 1.00 31.29 C ATOM 1465 SD MET A 154 -15.044 13.600 2.495 1.00 32.79 S ATOM 1466 CE MET A 154 -15.078 14.399 4.069 1.00 30.38 C ATOM 1467 H MET A 154 -17.859 14.814 -0.422 1.00 0.00 H ATOM 1468 N PRO A 155 -19.820 15.805 2.980 1.00 25.48 N ATOM 1469 CA PRO A 155 -20.969 16.680 3.231 1.00 24.61 C ATOM 1470 C PRO A 155 -20.645 18.123 3.629 1.00 25.35 C ATOM 1471 O PRO A 155 -19.697 18.356 4.340 1.00 26.10 O ATOM 1472 CB PRO A 155 -21.686 15.987 4.367 1.00 24.04 C ATOM 1473 CG PRO A 155 -20.636 15.249 5.076 1.00 24.78 C ATOM 1474 CD PRO A 155 -19.646 14.827 4.055 1.00 25.91 C ATOM 1475 N VAL A 156 -21.450 19.069 3.172 1.00 24.08 N ATOM 1476 CA VAL A 156 -21.244 20.471 3.488 1.00 24.49 C ATOM 1477 C VAL A 156 -22.517 21.265 3.721 1.00 26.23 C ATOM 1478 O VAL A 156 -23.577 20.875 3.281 1.00 28.88 O ATOM 1479 CB VAL A 156 -20.486 21.196 2.379 1.00 26.03 C ATOM 1480 CG1 VAL A 156 -19.043 20.770 2.336 1.00 26.57 C ATOM 1481 CG2 VAL A 156 -21.178 21.023 1.049 1.00 26.15 C ATOM 1482 H VAL A 156 -22.254 18.800 2.569 1.00 0.00 H ATOM 1483 N LYS A 157 -22.372 22.378 4.431 1.00 26.15 N ATOM 1484 CA LYS A 157 -23.439 23.316 4.723 1.00 28.95 C ATOM 1485 C LYS A 157 -22.997 24.767 4.480 1.00 26.95 C ATOM 1486 O LYS A 157 -21.936 25.176 4.913 1.00 25.66 O ATOM 1487 CB LYS A 157 -23.909 23.185 6.166 1.00 37.57 C ATOM 1488 CG LYS A 157 -24.856 22.046 6.438 1.00 50.25 C ATOM 1489 CD LYS A 157 -25.587 22.226 7.759 1.00 63.37 C ATOM 1490 CE LYS A 157 -24.630 22.445 8.911 1.00 71.86 C ATOM 1491 NZ LYS A 157 -25.253 23.058 10.122 1.00 76.73 N ATOM 1492 HZ1 LYS A 157 -25.648 23.987 9.874 1.00 0.00 H ATOM 1493 HZ2 LYS A 157 -26.012 22.439 10.471 1.00 0.00 H ATOM 1494 HZ3 LYS A 157 -24.531 23.173 10.861 1.00 0.00 H ATOM 1495 H LYS A 157 -21.425 22.592 4.804 1.00 0.00 H ATOM 1496 N GLY A 158 -23.836 25.532 3.795 1.00 26.89 N ATOM 1497 CA GLY A 158 -23.585 26.937 3.508 1.00 29.06 C ATOM 1498 C GLY A 158 -22.340 27.251 2.722 1.00 29.42 C ATOM 1499 O GLY A 158 -21.753 28.289 2.908 1.00 30.60 O ATOM 1500 H GLY A 158 -24.718 25.107 3.445 1.00 0.00 H ATOM 1501 N LEU A 159 -21.971 26.355 1.821 1.00 28.07 N ATOM 1502 CA LEU A 159 -20.784 26.485 0.996 1.00 28.33 C ATOM 1503 C LEU A 159 -20.819 27.703 0.084 1.00 31.19 C ATOM 1504 O LEU A 159 -19.796 28.236 -0.247 1.00 31.62 O ATOM 1505 CB LEU A 159 -20.554 25.232 0.167 1.00 27.98 C ATOM 1506 CG LEU A 159 -19.256 25.168 -0.617 1.00 30.54 C ATOM 1507 CD1 LEU A 159 -18.058 25.331 0.281 1.00 30.31 C ATOM 1508 CD2 LEU A 159 -19.149 23.874 -1.380 1.00 31.62 C ATOM 1509 H LEU A 159 -22.565 25.510 1.697 1.00 0.00 H ATOM 1510 N GLU A 160 -22.014 28.121 -0.290 1.00 34.51 N ATOM 1511 CA GLU A 160 -22.229 29.263 -1.172 1.00 40.69 C ATOM 1512 C GLU A 160 -21.702 30.537 -0.534 1.00 36.76 C ATOM 1513 O GLU A 160 -21.254 31.434 -1.207 1.00 37.80 O ATOM 1514 CB GLU A 160 -23.708 29.410 -1.533 1.00 50.87 C ATOM 1515 CG GLU A 160 -24.599 29.612 -0.333 1.00 59.20 C ATOM 1516 CD GLU A 160 -26.071 29.589 -0.652 1.00 67.26 C ATOM 1517 OE1 GLU A 160 -26.510 30.362 -1.520 1.00 69.21 O ATOM 1518 OE2 GLU A 160 -26.794 28.813 -0.003 1.00 71.12 O ATOM 1519 H GLU A 160 -22.847 27.609 0.063 1.00 0.00 H ATOM 1520 N HIS A 161 -21.761 30.585 0.781 1.00 32.96 N ATOM 1521 CA HIS A 161 -21.307 31.733 1.545 1.00 30.99 C ATOM 1522 C HIS A 161 -19.799 31.864 1.709 1.00 28.98 C ATOM 1523 O HIS A 161 -19.328 32.878 2.178 1.00 29.26 O ATOM 1524 CB HIS A 161 -21.977 31.748 2.896 1.00 29.62 C ATOM 1525 CG HIS A 161 -23.459 31.634 2.827 1.00 29.99 C ATOM 1526 ND1 HIS A 161 -24.174 30.754 3.602 1.00 31.99 N ATOM 1527 CD2 HIS A 161 -24.362 32.279 2.062 1.00 29.42 C ATOM 1528 CE1 HIS A 161 -25.456 30.875 3.327 1.00 32.83 C ATOM 1529 NE2 HIS A 161 -25.595 31.793 2.395 1.00 31.40 N ATOM 1530 H HIS A 161 -22.149 29.767 1.293 1.00 0.00 H ATOM 1531 N HIS A 162 -19.046 30.853 1.309 1.00 27.73 N ATOM 1532 CA HIS A 162 -17.600 30.890 1.450 1.00 29.97 C ATOM 1533 C HIS A 162 -17.057 32.062 0.643 1.00 33.87 C ATOM 1534 O HIS A 162 -17.492 32.295 -0.458 1.00 34.45 O ATOM 1535 CB HIS A 162 -16.980 29.565 0.997 1.00 30.57 C ATOM 1536 CG HIS A 162 -15.571 29.366 1.445 1.00 31.80 C ATOM 1537 ND1 HIS A 162 -14.500 29.921 0.794 1.00 33.17 N ATOM 1538 CD2 HIS A 162 -15.057 28.667 2.480 1.00 31.26 C ATOM 1539 CE1 HIS A 162 -13.389 29.579 1.411 1.00 33.09 C ATOM 1540 NE2 HIS A 162 -13.699 28.820 2.438 1.00 32.28 N ATOM 1541 H HIS A 162 -19.497 30.017 0.886 1.00 0.00 H ATOM 1542 N HIS A 163 -16.097 32.785 1.197 1.00 36.92 N ATOM 1543 CA HIS A 163 -15.539 33.962 0.528 1.00 41.48 C ATOM 1544 C HIS A 163 -14.862 33.670 -0.802 1.00 42.83 C ATOM 1545 O HIS A 163 -14.858 34.510 -1.678 1.00 41.93 O ATOM 1546 CB HIS A 163 -14.697 34.847 1.459 1.00 45.44 C ATOM 1547 CG HIS A 163 -13.391 34.266 1.887 1.00 47.21 C ATOM 1548 ND1 HIS A 163 -12.302 34.173 1.053 1.00 45.98 N ATOM 1549 CD2 HIS A 163 -12.975 33.828 3.092 1.00 50.32 C ATOM 1550 CE1 HIS A 163 -11.284 33.664 1.720 1.00 47.01 C ATOM 1551 NE2 HIS A 163 -11.667 33.444 2.958 1.00 49.80 N ATOM 1552 H HIS A 163 -15.730 32.511 2.131 1.00 0.00 H ATOM 1553 N HIS A 164 -14.313 32.477 -0.953 1.00 46.88 N ATOM 1554 CA HIS A 164 -13.663 32.096 -2.197 1.00 56.88 C ATOM 1555 C HIS A 164 -14.663 32.052 -3.343 1.00 54.58 C ATOM 1556 O HIS A 164 -14.289 31.967 -4.496 1.00 53.40 O ATOM 1557 CB HIS A 164 -13.049 30.711 -2.085 1.00 68.88 C ATOM 1558 CG HIS A 164 -11.814 30.649 -1.250 1.00 81.82 C ATOM 1559 ND1 HIS A 164 -10.964 29.566 -1.276 1.00 88.51 N ATOM 1560 CD2 HIS A 164 -11.279 31.525 -0.371 1.00 86.71 C ATOM 1561 CE1 HIS A 164 -9.964 29.774 -0.443 1.00 91.44 C ATOM 1562 NE2 HIS A 164 -10.127 30.960 0.112 1.00 90.39 N ATOM 1563 H HIS A 164 -14.347 31.797 -0.167 1.00 0.00 H ATOM 1564 N HIS A 165 -15.943 32.091 -3.022 1.00 53.47 N ATOM 1565 CA HIS A 165 -16.962 32.026 -4.044 1.00 54.92 C ATOM 1566 C HIS A 165 -17.577 33.379 -4.354 1.00 52.96 C ATOM 1567 O HIS A 165 -18.617 33.470 -4.984 1.00 52.18 O ATOM 1568 CB HIS A 165 -18.034 31.020 -3.641 1.00 58.00 C ATOM 1569 CG HIS A 165 -17.495 29.647 -3.383 1.00 62.90 C ATOM 1570 ND1 HIS A 165 -18.146 28.725 -2.602 1.00 63.69 N ATOM 1571 CD2 HIS A 165 -16.347 29.054 -3.782 1.00 66.42 C ATOM 1572 CE1 HIS A 165 -17.435 27.617 -2.548 1.00 63.95 C ATOM 1573 NE2 HIS A 165 -16.338 27.790 -3.257 1.00 65.77 N ATOM 1574 H HIS A 165 -16.221 32.169 -2.023 1.00 0.00 H ATOM 1575 N HIS A 166 -16.911 34.427 -3.910 1.00 51.67 N ATOM 1576 CA HIS A 166 -17.383 35.782 -4.130 1.00 51.72 C ATOM 1577 C HIS A 166 -16.232 36.697 -4.535 1.00 56.38 C ATOM 1578 O HIS A 166 -16.497 37.925 -4.659 1.00 59.02 O ATOM 1579 CB HIS A 166 -18.053 36.316 -2.866 1.00 46.62 C ATOM 1580 CG HIS A 166 -19.350 35.658 -2.541 1.00 41.94 C ATOM 1581 ND1 HIS A 166 -19.430 34.480 -1.840 1.00 41.73 N ATOM 1582 CD2 HIS A 166 -20.620 36.015 -2.819 1.00 38.63 C ATOM 1583 CE1 HIS A 166 -20.694 34.137 -1.706 1.00 40.02 C ATOM 1584 NE2 HIS A 166 -21.436 35.048 -2.297 1.00 38.37 N ATOM 1585 OXT HIS A 166 -15.093 36.174 -4.718 1.00 58.03 O ATOM 1586 H HIS A 166 -16.024 34.279 -3.388 1.00 0.00 H TER 1587 HIS A 166 HETATM 1588 O HOH 1 -23.598 23.918 0.959 1.00 37.14 O HETATM 1589 O HOH 2 -15.869 21.304 9.811 1.00 26.25 O HETATM 1590 O HOH 3 -27.085 16.827 -7.812 1.00 49.19 O HETATM 1591 O HOH 4 -7.612 -5.050 7.594 1.00 33.82 O HETATM 1592 O HOH 5 -8.062 -0.530 5.163 1.00 72.17 O HETATM 1593 O HOH 6 -24.472 -3.267 -10.050 1.00 64.44 O HETATM 1594 O HOH 7 -14.381 26.174 -3.481 1.00 74.01 O HETATM 1595 O HOH 8 -25.997 2.108 -3.730 1.00 34.25 O HETATM 1596 O HOH 9 -27.337 12.895 2.205 1.00 25.75 O HETATM 1597 O HOH 10 -25.649 -10.635 -6.436 1.00 28.40 O HETATM 1598 O HOH 11 -18.280 -5.769 -6.012 1.00 49.36 O HETATM 1599 O HOH 12 -18.125 14.660 7.415 1.00 21.59 O HETATM 1600 O HOH 13 -13.032 21.170 7.132 1.00 29.88 O HETATM 1601 O HOH 14 -21.495 -5.354 12.917 1.00 22.74 O HETATM 1602 O HOH 15 -25.203 18.083 6.123 1.00 50.70 O HETATM 1603 O HOH 16 -24.124 19.005 -10.029 1.00 58.39 O HETATM 1604 O HOH 17 -21.259 1.158 17.596 1.00 40.26 O HETATM 1605 O HOH 18 -17.167 4.862 -8.130 1.00 40.86 O HETATM 1606 O HOH 19 -26.243 20.446 3.323 1.00 26.54 O HETATM 1607 O HOH 20 -30.608 -15.199 3.994 1.00 40.75 O HETATM 1608 O HOH 21 -22.828 7.388 18.791 1.00 51.76 O HETATM 1609 O HOH 22 -16.106 -18.295 4.222 1.00 24.32 O HETATM 1610 O HOH 23 -29.101 10.823 1.639 1.00 29.43 O HETATM 1611 O HOH 24 -8.353 -1.876 16.661 1.00 33.31 O HETATM 1612 O HOH 25 -24.515 4.901 17.015 1.00 67.30 O HETATM 1613 O HOH 26 -23.805 12.833 5.161 1.00 23.57 O HETATM 1614 O HOH 27 -16.294 20.027 17.438 1.00 76.98 O HETATM 1615 O HOH 28 -11.061 -6.308 9.678 1.00 32.91 O HETATM 1616 O HOH 29 -17.601 17.143 5.738 1.00 32.18 O HETATM 1617 O HOH 30 -16.213 14.674 -8.891 1.00 51.05 O HETATM 1618 O HOH 31 -17.085 29.508 5.187 1.00 22.58 O HETATM 1619 O HOH 32 -9.970 4.615 -7.373 1.00 35.55 O HETATM 1620 O HOH 33 -23.636 10.666 11.762 1.00 28.66 O HETATM 1621 O HOH 34 -27.716 10.644 8.349 1.00 41.15 O HETATM 1622 O HOH 35 -23.382 9.686 14.373 1.00 26.92 O HETATM 1623 O HOH 36 -30.451 -9.660 -1.320 1.00 42.72 O HETATM 1624 O HOH 37 -16.310 -18.228 1.430 1.00 34.91 O HETATM 1625 O HOH 38 -13.634 6.345 22.580 1.00 57.85 O HETATM 1626 O HOH 39 -19.695 -11.380 -2.117 1.00 31.67 O HETATM 1627 O HOH 40 -8.723 3.055 21.774 1.00 42.86 O HETATM 1628 O HOH 41 -8.557 -6.807 10.766 1.00 47.13 O HETATM 1629 O HOH 42 -21.612 31.594 -4.078 1.00 49.70 O HETATM 1630 O HOH 43 -15.122 27.999 6.284 1.00 21.81 O HETATM 1631 O HOH 44 -20.918 23.312 8.688 1.00 26.91 O HETATM 1632 O HOH 45 -39.316 -10.789 2.133 1.00 54.41 O HETATM 1633 O HOH 46 -13.151 -2.799 17.047 1.00 39.25 O HETATM 1634 O HOH 47 -10.577 -9.645 9.442 1.00 40.86 O HETATM 1635 O HOH 48 -14.751 -14.125 6.268 1.00 25.48 O HETATM 1636 O HOH 49 -26.033 13.536 6.195 1.00 26.01 O HETATM 1637 O HOH 50 -10.956 28.922 -4.238 1.00 49.03 O HETATM 1638 O HOH 51 -0.233 1.769 17.450 1.00 48.84 O HETATM 1639 O HOH 52 -10.975 -18.793 5.043 1.00 34.22 O HETATM 1640 O HOH 53 -12.607 29.293 6.183 1.00 52.69 O HETATM 1641 O HOH 54 -9.755 9.552 14.956 1.00 36.33 O HETATM 1642 O HOH 55 -24.629 -14.271 -1.572 1.00 29.02 O HETATM 1643 O HOH 56 -10.191 29.780 3.572 1.00 47.60 O HETATM 1644 O HOH 57 -18.761 25.750 -4.809 1.00 41.57 O HETATM 1645 O HOH 58 -7.599 8.815 14.100 1.00 31.80 O HETATM 1646 O HOH 59 -10.525 -0.958 16.756 1.00 28.83 O HETATM 1647 O HOH 60 -21.250 5.513 -9.872 1.00 51.09 O HETATM 1648 O HOH 61 -25.675 -9.654 9.434 1.00 81.76 O HETATM 1649 O HOH 62 -3.669 -4.013 8.482 1.00 38.38 O HETATM 1650 O HOH 63 -24.687 26.215 -0.661 1.00 43.64 O HETATM 1651 O HOH 64 -32.666 17.084 -1.652 1.00 84.88 O HETATM 1652 O HOH 65 -27.439 19.467 5.145 1.00 42.00 O HETATM 1653 O HOH 66 -23.232 -10.724 -7.642 1.00 31.37 O HETATM 1654 O HOH 67 -9.611 -7.860 12.970 1.00 48.57 O HETATM 1655 O HOH 68 -37.328 9.879 5.251 1.00 50.63 O HETATM 1656 O HOH 69 -25.551 20.758 -5.002 1.00 48.44 O HETATM 1657 O HOH 70 -21.045 26.767 -3.705 1.00 47.50 O HETATM 1658 O HOH 71 -6.857 18.332 -8.650 1.00 55.87 O HETATM 1659 O HOH 72 -24.057 -2.721 -6.407 1.00 47.60 O HETATM 1660 O HOH 73 -5.606 9.164 11.940 1.00 41.80 O HETATM 1661 O HOH 74 -13.318 -2.399 -16.741 1.00 50.72 O HETATM 1662 O HOH 75 -14.987 -0.463 25.833 1.00 73.81 O HETATM 1663 O HOH 76 -5.927 -3.750 -15.301 1.00 62.88 O HETATM 1664 O HOH 77 -15.426 14.617 8.476 1.00 42.56 O HETATM 1665 O HOH 78 -23.500 -16.497 -0.847 1.00 29.02 O HETATM 1666 C1 ET A 79 -12.236 -0.543 -0.116 1.00 -0.08 C HETATM 1667 C2 ET A 79 -11.387 -0.146 0.896 1.00 -0.06 C HETATM 1668 C3 ET A 79 -10.326 -0.954 1.280 1.00 0.02 C HETATM 1669 C4 ET A 79 -10.074 -2.175 0.664 1.00 -0.03 C HETATM 1670 C14 ET A 79 -10.895 -2.634 -0.354 1.00 0.04 C HETATM 1671 N5 ET A 79 -10.652 -3.877 -1.011 1.00 -0.29 N HETATM 1672 C6 ET A 79 -11.461 -4.313 -2.008 1.00 0.10 C HETATM 1673 C11 ET A 79 -12.617 -3.490 -2.455 1.00 -0.01 C HETATM 1674 C7 ET A 79 -13.447 -3.914 -3.471 1.00 -0.04 C HETATM 1675 C8 ET A 79 -14.512 -3.118 -3.862 1.00 0.03 C HETATM 1676 C9 ET A 79 -14.780 -1.898 -3.262 1.00 -0.05 C HETATM 1677 C10 ET A 79 -13.981 -1.430 -2.239 1.00 -0.08 C HETATM 1678 C12 ET A 79 -12.910 -2.193 -1.825 1.00 -0.04 C HETATM 1679 C13 ET A 79 -12.021 -1.752 -0.746 1.00 -0.02 C HETATM 1680 H7 ET A 79 -14.192 -0.477 -1.768 1.00 0.05 H HETATM 1681 H6 ET A 79 -15.624 -1.307 -3.599 1.00 0.05 H HETATM 1682 N24 ET A 79 -15.313 -3.544 -4.851 1.00 -0.34 N HETATM 1683 H20 ET A 79 -15.130 -4.448 -5.309 1.00 0.17 H HETATM 1684 H21 ET A 79 -16.111 -2.967 -5.152 1.00 0.17 H HETATM 1685 H5 ET A 79 -13.268 -4.864 -3.961 1.00 0.05 H HETATM 1686 C15 ET A 79 -11.246 -5.622 -2.700 1.00 -0.01 C HETATM 1687 C16 ET A 79 -12.173 -6.643 -2.541 1.00 -0.06 C HETATM 1688 C17 ET A 79 -11.989 -7.860 -3.172 1.00 -0.07 C HETATM 1689 C18 ET A 79 -10.863 -8.080 -3.962 1.00 -0.07 C HETATM 1690 C19 ET A 79 -9.925 -7.067 -4.127 1.00 -0.07 C HETATM 1691 C20 ET A 79 -10.129 -5.834 -3.500 1.00 -0.06 C HETATM 1692 H12 ET A 79 -9.409 -5.036 -3.639 1.00 0.06 H HETATM 1693 H11 ET A 79 -9.044 -7.232 -4.736 1.00 0.06 H HETATM 1694 H10 ET A 79 -10.718 -9.039 -4.447 1.00 0.06 H HETATM 1695 H9 ET A 79 -12.725 -8.647 -3.051 1.00 0.06 H HETATM 1696 H8 ET A 79 -13.046 -6.486 -1.919 1.00 0.06 H HETATM 1697 H4 ET A 79 -10.809 -3.815 -2.741 1.00 0.09 H HETATM 1698 C21 ET A 79 -9.515 -4.696 -0.551 1.00 0.03 C HETATM 1699 C22 ET A 79 -9.769 -5.271 0.826 1.00 -0.04 C HETATM 1700 H15 ET A 79 -8.903 -5.874 1.137 1.00 0.02 H HETATM 1701 H16 ET A 79 -10.667 -5.905 0.798 1.00 0.02 H HETATM 1702 H17 ET A 79 -9.921 -4.451 1.543 1.00 0.02 H HETATM 1703 H13 ET A 79 -8.613 -4.068 -0.515 1.00 0.05 H HETATM 1704 H14 ET A 79 -9.359 -5.522 -1.260 1.00 0.05 H HETATM 1705 H3 ET A 79 -9.228 -2.773 0.983 1.00 0.04 H HETATM 1706 N23 ET A 79 -9.516 -0.532 2.274 1.00 -0.34 N HETATM 1707 H18 ET A 79 -9.695 0.371 2.736 1.00 0.17 H HETATM 1708 H19 ET A 79 -8.719 -1.113 2.571 1.00 0.17 H HETATM 1709 H2 ET A 79 -11.550 0.803 1.394 1.00 0.04 H HETATM 1710 H1 ET A 79 -13.065 0.089 -0.414 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1666 1667 1679 1710 CONECT 1667 1666 1668 1709 CONECT 1668 1667 1669 1706 CONECT 1669 1668 1670 1705 CONECT 1670 1669 1671 1679 CONECT 1671 1670 1672 1698 CONECT 1672 1671 1673 1686 1697 CONECT 1673 1672 1674 1678 CONECT 1674 1673 1675 1685 CONECT 1675 1674 1676 1682 CONECT 1676 1675 1677 1681 CONECT 1677 1676 1678 1680 CONECT 1678 1673 1677 1679 CONECT 1679 1666 1670 1678 CONECT 1680 1677 CONECT 1681 1676 CONECT 1682 1675 1683 1684 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1674 CONECT 1686 1672 1687 1691 CONECT 1687 1686 1688 1696 CONECT 1688 1687 1689 1695 CONECT 1689 1688 1690 1694 CONECT 1690 1689 1691 1693 CONECT 1691 1686 1690 1692 CONECT 1692 1691 CONECT 1693 1690 CONECT 1694 1689 CONECT 1695 1688 CONECT 1696 1687 CONECT 1697 1672 CONECT 1698 1671 1699 1703 1704 CONECT 1699 1698 1700 1701 1702 CONECT 1700 1699 CONECT 1701 1699 CONECT 1702 1699 CONECT 1703 1698 CONECT 1704 1698 CONECT 1705 1669 CONECT 1706 1668 1707 1708 CONECT 1707 1706 CONECT 1708 1706 CONECT 1709 1667 CONECT 1710 1666 MASTER 0 0 0 0 0 0 0 0 1709 1 49 13 END
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Structure:
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Protein
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Related entries of code: 5kcb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5kat
RCSB PDB
PDBbind
165aa, >5KAT_1|Chain... *
5kau
RCSB PDB
PDBbind
165aa, >5KAU_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3pm1
RCSB PDB
PDBbind
ET
3v78
RCSB PDB
PDBbind
ET
3vvy
RCSB PDB
PDBbind
ET
5er5
RCSB PDB
PDBbind
ET
Entry Information
PDB ID
5kcb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
protein containing GyrI-like domain SAV2435
Ligand Name
ET
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.99uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 4850-4863
Ligand Properties
Formula
C
2
1
H
2
1
N
3
Molecular Weight
315.412
Exact Mass
315.174
No. of atoms
45
No. of bonds
48
Polar Surface Area
55.28
LOGP Value
3.94 (
Computed with XLOGP3
)
5.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
CCN1[C@@H](c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2
InChI String
InChI=1S/C21H21N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,21H,2,22-23H2,1H3/t21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A0H3JRN6
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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