Browse entries in the PDBbind-CN Database
HEADER 5NAR_COMPLEX COMPND 5NAR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 44 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 44 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 44 ALA HIS CYS LEU GLU SEQRES 1 A 107 GLY LYS VAL GLN VAL LEU LEU GLY ALA HIS SER LEU SER SEQRES 2 A 107 GLN PRO GLU PRO SER LYS ARG LEU TYR ASP VAL LEU ARG SEQRES 3 A 107 ALA VAL PRO HIS PRO ASP SER GLN PRO ASP THR ILE ASP SEQRES 4 A 107 HIS ASP LEU LEU LEU LEU GLN LEU SER GLU LYS ALA THR SEQRES 5 A 107 LEU GLY PRO ALA VAL ARG PRO LEU PRO TRP GLN ARG VAL SEQRES 6 A 107 ASP ARG ASP VAL ALA PRO GLY THR LEU CYS ASP VAL ALA SEQRES 7 A 107 GLY TRP GLY ILE VAL ASN HIS ALA GLY ARG ARG PRO ASP SEQRES 8 A 107 SER LEU GLN HIS VAL LEU LEU PRO VAL LEU ASP ARG ALA SEQRES 9 A 107 THR CYS ASN SEQRES 1 A 66 THR GLU ARG LEU MET CYS ALA GLU SER ASN ARG ARG ASP SEQRES 2 A 66 SER CYS LYS GLY ASP SER GLY GLY PRO LEU VAL CYS GLY SEQRES 3 A 66 GLY VAL LEU GLU GLY VAL VAL THR SER GLY SER ARG VAL SEQRES 4 A 66 CYS GLY ASN ARG LYS LYS PRO GLY ILE TYR THR ARG VAL SEQRES 5 A 66 ALA SER TYR ALA ALA TRP ILE ASP SER VAL LEU ALA SER SEQRES 6 A 66 ALA HET UNN A 405 54 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 -8.049 -9.074 -13.210 1.00 9.87 N ATOM 2 CA ILE A 16 -8.302 -7.925 -14.097 1.00 8.19 C ATOM 3 C ILE A 16 -9.696 -7.425 -13.815 1.00 9.67 C ATOM 4 O ILE A 16 -10.665 -8.121 -14.036 1.00 11.52 O ATOM 5 CB ILE A 16 -8.167 -8.333 -15.592 1.00 9.54 C ATOM 6 CG1 ILE A 16 -6.769 -8.939 -15.921 1.00 9.22 C ATOM 7 CG2 ILE A 16 -8.481 -7.251 -16.627 1.00 9.22 C ATOM 8 CD1 ILE A 16 -5.629 -7.935 -15.918 1.00 9.59 C ATOM 9 HN3 ILE A 16 -8.747 -9.820 -13.404 1.00 0.00 H ATOM 10 HN2 ILE A 16 -8.131 -8.770 -12.219 1.00 0.00 H ATOM 11 HN1 ILE A 16 -7.091 -9.440 -13.384 1.00 0.00 H ATOM 12 N LEU A 17 -9.804 -6.153 -13.446 1.00 8.98 N ATOM 13 CA LEU A 17 -11.121 -5.574 -13.262 1.00 9.50 C ATOM 14 C LEU A 17 -11.466 -4.877 -14.548 1.00 9.61 C ATOM 15 O LEU A 17 -10.605 -4.240 -15.148 1.00 10.24 O ATOM 16 CB LEU A 17 -11.071 -4.487 -12.148 1.00 10.40 C ATOM 17 CG LEU A 17 -10.569 -4.939 -10.771 1.00 14.46 C ATOM 18 CD1 LEU A 17 -10.860 -3.837 -9.791 1.00 13.22 C ATOM 19 CD2 LEU A 17 -11.195 -6.273 -10.394 1.00 13.96 C ATOM 20 H LEU A 17 -8.952 -5.578 -13.291 1.00 0.00 H ATOM 21 N GLY A 18 -12.727 -4.914 -14.943 1.00 13.70 N ATOM 22 CA GLY A 18 -13.272 -4.106 -16.035 1.00 11.68 C ATOM 23 C GLY A 18 -12.787 -4.583 -17.358 1.00 13.77 C ATOM 24 O GLY A 18 -12.735 -3.749 -18.305 1.00 18.88 O ATOM 25 H GLY A 18 -13.374 -5.559 -14.446 1.00 0.00 H ATOM 26 N GLY A 19 -12.290 -5.855 -17.395 1.00 11.52 N ATOM 27 CA GLY A 19 -11.788 -6.436 -18.685 1.00 11.77 C ATOM 28 C GLY A 19 -12.769 -7.403 -19.283 1.00 11.78 C ATOM 29 O GLY A 19 -13.993 -7.281 -19.046 1.00 12.21 O ATOM 30 H GLY A 19 -12.259 -6.424 -16.525 1.00 0.00 H ATOM 31 N ARG A 20 -12.240 -8.271 -20.134 1.00 11.33 N ATOM 32 CA ARG A 20 -13.024 -9.140 -21.045 1.00 15.33 C ATOM 33 C ARG A 20 -12.258 -10.441 -21.055 1.00 11.66 C ATOM 34 O ARG A 20 -10.975 -10.488 -20.856 1.00 8.70 O ATOM 35 CB ARG A 20 -13.115 -8.660 -22.572 1.00 19.86 C ATOM 36 CG ARG A 20 -14.170 -7.646 -23.034 1.00 29.14 C ATOM 37 CD ARG A 20 -14.904 -8.118 -24.352 1.00 40.47 C ATOM 38 NE ARG A 20 -16.102 -7.277 -24.689 1.00 45.11 N ATOM 39 CZ ARG A 20 -16.130 -6.218 -25.496 1.00 38.07 C ATOM 40 NH1 ARG A 20 -15.044 -5.850 -26.203 1.00 47.05 N ATOM 41 NH2 ARG A 20 -17.297 -5.514 -25.612 1.00 41.04 N ATOM 42 HE ARG A 20 -17.003 -7.550 -24.246 1.00 0.00 H ATOM 43 HH12 ARG A 20 -15.087 -5.020 -26.828 1.00 0.00 H ATOM 44 HH11 ARG A 20 -14.163 -6.396 -26.124 1.00 0.00 H ATOM 45 HH22 ARG A 20 -17.343 -4.683 -26.236 1.00 0.00 H ATOM 46 HH21 ARG A 20 -18.138 -5.809 -25.076 1.00 0.00 H ATOM 47 H ARG A 20 -11.203 -8.348 -20.165 1.00 0.00 H ATOM 48 N GLU A 21 -12.945 -11.508 -21.422 1.00 10.56 N ATOM 49 CA GLU A 21 -12.213 -12.793 -21.638 1.00 9.44 C ATOM 50 C GLU A 21 -11.277 -12.687 -22.859 1.00 10.63 C ATOM 51 O GLU A 21 -11.623 -12.115 -23.892 1.00 9.69 O ATOM 52 CB GLU A 21 -13.234 -13.943 -21.780 1.00 12.10 C ATOM 53 CG GLU A 21 -12.569 -15.326 -21.700 1.00 14.10 C ATOM 54 CD GLU A 21 -13.453 -16.500 -21.815 1.00 17.85 C ATOM 55 OE1 GLU A 21 -14.657 -16.435 -21.330 1.00 21.32 O ATOM 56 OE2 GLU A 21 -13.004 -17.469 -22.486 1.00 20.87 O ATOM 57 H GLU A 21 -13.975 -11.455 -21.558 1.00 0.00 H ATOM 58 N ALA A 22 -10.034 -13.050 -22.689 1.00 8.78 N ATOM 59 CA ALA A 22 -9.113 -13.080 -23.818 1.00 9.08 C ATOM 60 C ALA A 22 -9.507 -14.225 -24.783 1.00 8.73 C ATOM 61 O ALA A 22 -10.230 -15.166 -24.469 1.00 10.35 O ATOM 62 CB ALA A 22 -7.736 -13.262 -23.301 1.00 9.52 C ATOM 63 H ALA A 22 -9.699 -13.319 -21.742 1.00 0.00 H ATOM 64 N GLU A 23 -9.106 -14.064 -26.057 1.00 8.15 N ATOM 65 CA GLU A 23 -9.280 -15.152 -27.029 1.00 8.82 C ATOM 66 C GLU A 23 -8.303 -16.255 -26.700 1.00 7.62 C ATOM 67 O GLU A 23 -7.094 -15.980 -26.390 1.00 7.81 O ATOM 68 CB GLU A 23 -8.880 -14.583 -28.410 1.00 10.10 C ATOM 69 CG GLU A 23 -9.602 -13.355 -28.921 1.00 13.29 C ATOM 70 CD GLU A 23 -9.199 -12.093 -28.236 1.00 17.32 C ATOM 71 OE1 GLU A 23 -8.047 -12.009 -27.638 1.00 19.03 O ATOM 72 OE2 GLU A 23 -9.968 -11.158 -28.372 1.00 29.25 O ATOM 73 H GLU A 23 -8.672 -13.167 -26.355 1.00 0.00 H ATOM 74 N ALA A 24 -8.721 -17.496 -26.788 1.00 7.32 N ATOM 75 CA ALA A 24 -7.918 -18.574 -26.382 1.00 7.57 C ATOM 76 C ALA A 24 -6.594 -18.643 -27.061 1.00 7.65 C ATOM 77 O ALA A 24 -6.518 -18.747 -28.328 1.00 9.25 O ATOM 78 CB ALA A 24 -8.669 -19.916 -26.601 1.00 8.66 C ATOM 79 H ALA A 24 -9.670 -17.686 -27.168 1.00 0.00 H ATOM 80 N HIS A 25 -5.522 -18.648 -26.225 1.00 6.38 N ATOM 81 CA HIS A 25 -4.174 -18.820 -26.739 1.00 7.78 C ATOM 82 C HIS A 25 -3.631 -17.684 -27.679 1.00 7.80 C ATOM 83 O HIS A 25 -2.571 -17.822 -28.269 1.00 9.02 O ATOM 84 CB HIS A 25 -3.941 -20.202 -27.415 1.00 8.45 C ATOM 85 CG HIS A 25 -4.542 -21.313 -26.660 1.00 8.19 C ATOM 86 ND1 HIS A 25 -4.137 -21.674 -25.403 1.00 7.20 N ATOM 87 CD2 HIS A 25 -5.623 -22.059 -26.927 1.00 9.97 C ATOM 88 CE1 HIS A 25 -4.911 -22.660 -24.967 1.00 8.66 C ATOM 89 NE2 HIS A 25 -5.882 -22.840 -25.835 1.00 9.05 N ATOM 90 H HIS A 25 -5.669 -18.527 -25.203 1.00 0.00 H ATOM 91 N ALA A 26 -4.307 -16.539 -27.695 1.00 8.46 N ATOM 92 CA ALA A 26 -3.909 -15.424 -28.476 1.00 9.71 C ATOM 93 C ALA A 26 -2.722 -14.594 -27.867 1.00 9.61 C ATOM 94 O ALA A 26 -2.181 -13.755 -28.566 1.00 12.43 O ATOM 95 CB ALA A 26 -5.080 -14.602 -28.840 1.00 9.29 C ATOM 96 H ALA A 26 -5.163 -16.458 -27.110 1.00 0.00 H ATOM 97 N ARG A 27 -2.411 -14.890 -26.586 1.00 8.14 N ATOM 98 CA ARG A 27 -1.278 -14.292 -25.828 1.00 7.23 C ATOM 99 C ARG A 27 -0.498 -15.454 -25.353 1.00 7.04 C ATOM 100 O ARG A 27 -0.504 -15.807 -24.176 1.00 8.03 O ATOM 101 CB ARG A 27 -1.798 -13.413 -24.748 1.00 7.50 C ATOM 102 CG ARG A 27 -2.490 -12.150 -25.334 1.00 9.18 C ATOM 103 CD ARG A 27 -3.419 -11.547 -24.238 1.00 11.64 C ATOM 104 NE ARG A 27 -4.137 -10.414 -24.734 1.00 11.38 N ATOM 105 CZ ARG A 27 -5.083 -10.443 -25.650 1.00 9.64 C ATOM 106 NH1 ARG A 27 -5.725 -11.575 -25.919 1.00 9.35 N ATOM 107 NH2 ARG A 27 -5.524 -9.290 -26.123 1.00 10.25 N ATOM 108 HE ARG A 27 -3.890 -9.485 -24.336 1.00 0.00 H ATOM 109 HH12 ARG A 27 -6.471 -11.590 -26.644 1.00 0.00 H ATOM 110 HH11 ARG A 27 -5.482 -12.446 -25.405 1.00 0.00 H ATOM 111 HH22 ARG A 27 -6.270 -9.276 -26.847 1.00 0.00 H ATOM 112 HH21 ARG A 27 -5.125 -8.397 -25.771 1.00 0.00 H ATOM 113 H ARG A 27 -3.006 -15.586 -26.094 1.00 0.00 H ATOM 114 N PRO A 28 0.316 -16.091 -26.247 1.00 8.46 N ATOM 115 CA PRO A 28 0.972 -17.328 -25.983 1.00 8.05 C ATOM 116 C PRO A 28 2.173 -17.279 -25.043 1.00 8.66 C ATOM 117 O PRO A 28 2.708 -18.223 -24.670 1.00 7.72 O ATOM 118 CB PRO A 28 1.298 -17.810 -27.419 1.00 10.91 C ATOM 119 CG PRO A 28 1.467 -16.500 -28.200 1.00 10.21 C ATOM 120 CD PRO A 28 0.438 -15.645 -27.642 1.00 9.55 C ATOM 121 N TYR A 29 2.477 -16.058 -24.696 1.00 7.11 N ATOM 122 CA TYR A 29 3.505 -15.744 -23.679 1.00 6.72 C ATOM 123 C TYR A 29 2.977 -15.797 -22.289 1.00 7.05 C ATOM 124 O TYR A 29 3.759 -15.735 -21.335 1.00 6.97 O ATOM 125 CB TYR A 29 4.043 -14.384 -23.972 1.00 7.08 C ATOM 126 CG TYR A 29 3.003 -13.327 -24.160 1.00 7.94 C ATOM 127 CD1 TYR A 29 2.480 -12.643 -23.024 1.00 7.95 C ATOM 128 CD2 TYR A 29 2.580 -12.937 -25.381 1.00 9.27 C ATOM 129 CE1 TYR A 29 1.524 -11.597 -23.171 1.00 7.89 C ATOM 130 CE2 TYR A 29 1.644 -11.877 -25.529 1.00 9.36 C ATOM 131 CZ TYR A 29 1.061 -11.312 -24.420 1.00 7.58 C ATOM 132 OH TYR A 29 0.224 -10.297 -24.530 1.00 9.99 O ATOM 133 HH TYR A 29 -0.089 -10.030 -23.630 1.00 0.00 H ATOM 134 H TYR A 29 1.975 -15.271 -25.154 1.00 0.00 H ATOM 135 N MET A 30 1.668 -15.861 -22.122 1.00 6.92 N ATOM 136 CA MET A 30 1.157 -15.788 -20.793 1.00 6.30 C ATOM 137 C MET A 30 1.635 -17.004 -20.033 1.00 8.01 C ATOM 138 O MET A 30 2.210 -17.955 -20.616 1.00 20.48 O ATOM 139 CB MET A 30 -0.364 -15.533 -20.887 1.00 5.75 C ATOM 140 CG MET A 30 -1.139 -15.182 -19.659 1.00 5.03 C ATOM 141 SD MET A 30 -0.639 -13.692 -18.872 1.00 5.23 S ATOM 142 CE MET A 30 -0.870 -14.095 -17.139 1.00 4.55 C ATOM 143 H MET A 30 1.029 -15.962 -22.936 1.00 0.00 H ATOM 144 N ALA A 31 1.792 -16.872 -18.753 1.00 4.51 N ATOM 145 CA ALA A 31 2.040 -18.004 -17.843 1.00 5.89 C ATOM 146 C ALA A 31 1.207 -17.846 -16.583 1.00 5.43 C ATOM 147 O ALA A 31 0.964 -16.735 -16.142 1.00 4.89 O ATOM 148 CB ALA A 31 3.538 -18.133 -17.452 1.00 6.40 C ATOM 149 H ALA A 31 1.740 -15.916 -18.347 1.00 0.00 H ATOM 150 N SER A 32 0.739 -18.952 -16.035 1.00 6.71 N ATOM 151 CA SER A 32 0.193 -18.970 -14.601 1.00 6.43 C ATOM 152 C SER A 32 1.255 -19.569 -13.692 1.00 7.06 C ATOM 153 O SER A 32 1.632 -20.762 -13.818 1.00 6.83 O ATOM 154 CB SER A 32 -1.098 -19.793 -14.563 1.00 6.81 C ATOM 155 OG SER A 32 -1.548 -19.928 -13.252 1.00 7.30 O ATOM 156 HG SER A 32 -1.725 -19.031 -12.871 1.00 0.00 H ATOM 157 H SER A 32 0.740 -19.832 -16.589 1.00 0.00 H ATOM 158 N VAL A 33 1.703 -18.745 -12.756 1.00 7.52 N ATOM 159 CA VAL A 33 2.582 -19.187 -11.656 1.00 8.23 C ATOM 160 C VAL A 33 1.738 -19.724 -10.507 1.00 8.63 C ATOM 161 O VAL A 33 0.837 -19.041 -10.101 1.00 7.97 O ATOM 162 CB VAL A 33 3.592 -18.152 -11.206 1.00 8.32 C ATOM 163 CG1 VAL A 33 4.393 -18.741 -10.070 1.00 11.92 C ATOM 164 CG2 VAL A 33 4.453 -17.583 -12.338 1.00 9.42 C ATOM 165 H VAL A 33 1.423 -17.744 -12.798 1.00 0.00 H ATOM 166 N GLN A 34 1.927 -21.015 -10.213 1.00 8.45 N ATOM 167 CA GLN A 34 1.045 -21.868 -9.379 1.00 9.96 C ATOM 168 C GLN A 34 1.733 -22.385 -8.146 1.00 10.72 C ATOM 169 O GLN A 34 2.876 -22.698 -8.148 1.00 13.05 O ATOM 170 CB GLN A 34 0.525 -23.012 -10.180 1.00 10.91 C ATOM 171 CG GLN A 34 -0.056 -22.518 -11.498 1.00 14.25 C ATOM 172 CD GLN A 34 -1.163 -23.386 -11.979 1.00 16.52 C ATOM 173 OE1 GLN A 34 -1.092 -24.596 -11.799 1.00 16.31 O ATOM 174 NE2 GLN A 34 -2.162 -22.789 -12.707 1.00 12.42 N ATOM 175 HE22 GLN A 34 -2.172 -21.756 -12.827 1.00 0.00 H ATOM 176 HE21 GLN A 34 -2.909 -23.370 -13.139 1.00 0.00 H ATOM 177 H GLN A 34 2.777 -21.466 -10.608 1.00 0.00 H ATOM 178 N LEU A 35 0.979 -22.335 -7.064 1.00 15.07 N ATOM 179 CA LEU A 35 1.303 -22.937 -5.802 1.00 14.85 C ATOM 180 C LEU A 35 0.246 -24.012 -5.480 1.00 16.81 C ATOM 181 O LEU A 35 -0.960 -23.708 -5.397 1.00 19.96 O ATOM 182 CB LEU A 35 1.390 -21.874 -4.761 1.00 17.25 C ATOM 183 CG LEU A 35 1.700 -22.195 -3.292 1.00 24.41 C ATOM 184 CD1 LEU A 35 2.735 -23.256 -3.176 1.00 26.07 C ATOM 185 CD2 LEU A 35 2.118 -20.961 -2.486 1.00 28.47 C ATOM 186 H LEU A 35 0.079 -21.819 -7.131 1.00 0.00 H ATOM 187 N ASN A 36 0.720 -25.235 -5.230 1.00 19.05 N ATOM 188 CA ASN A 36 -0.162 -26.327 -4.821 1.00 23.97 C ATOM 189 C ASN A 36 -1.372 -26.453 -5.814 1.00 23.98 C ATOM 190 O ASN A 36 -2.440 -26.995 -5.603 1.00 23.55 O ATOM 191 CB ASN A 36 -0.538 -26.193 -3.318 1.00 25.08 C ATOM 192 CG ASN A 36 0.684 -26.257 -2.380 1.00 33.46 C ATOM 193 OD1 ASN A 36 1.571 -27.119 -2.551 1.00 38.75 O ATOM 194 ND2 ASN A 36 0.769 -25.315 -1.426 1.00 39.77 N ATOM 195 HD22 ASN A 36 0.008 -24.615 -1.317 1.00 0.00 H ATOM 196 HD21 ASN A 36 1.596 -25.286 -0.796 1.00 0.00 H ATOM 197 H ASN A 36 1.740 -25.415 -5.328 1.00 0.00 H ATOM 198 N GLY A 38 -1.092 -26.284 -7.097 1.00 18.79 N ATOM 199 CA GLY A 38 -2.060 -26.481 -8.116 1.00 23.03 C ATOM 200 C GLY A 38 -2.995 -25.349 -8.345 1.00 19.40 C ATOM 201 O GLY A 38 -3.929 -25.507 -9.144 1.00 22.60 O ATOM 202 H GLY A 38 -0.130 -25.997 -7.367 1.00 0.00 H ATOM 203 N ALA A 39 -2.748 -24.228 -7.689 1.00 14.74 N ATOM 204 CA ALA A 39 -3.651 -23.102 -7.708 1.00 15.40 C ATOM 205 C ALA A 39 -2.896 -21.894 -8.219 1.00 10.66 C ATOM 206 O ALA A 39 -1.769 -21.673 -7.883 1.00 13.36 O ATOM 207 CB ALA A 39 -4.234 -22.739 -6.404 1.00 14.04 C ATOM 208 H ALA A 39 -1.869 -24.155 -7.138 1.00 0.00 H ATOM 209 N HIS A 40 -3.566 -21.176 -9.097 1.00 8.86 N ATOM 210 CA HIS A 40 -2.995 -19.943 -9.606 1.00 10.22 C ATOM 211 C HIS A 40 -2.658 -18.999 -8.540 1.00 8.54 C ATOM 212 O HIS A 40 -3.477 -18.738 -7.655 1.00 11.70 O ATOM 213 CB HIS A 40 -4.000 -19.275 -10.542 1.00 8.59 C ATOM 214 CG HIS A 40 -3.590 -17.912 -10.966 1.00 6.59 C ATOM 215 ND1 HIS A 40 -2.749 -17.754 -12.020 1.00 6.24 N ATOM 216 CD2 HIS A 40 -3.891 -16.661 -10.508 1.00 7.51 C ATOM 217 CE1 HIS A 40 -2.460 -16.473 -12.139 1.00 7.18 C ATOM 218 NE2 HIS A 40 -3.169 -15.797 -11.232 1.00 7.35 N ATOM 219 H HIS A 40 -4.501 -21.492 -9.424 1.00 0.00 H ATOM 220 N LEU A 41 -1.436 -18.488 -8.589 1.00 8.27 N ATOM 221 CA LEU A 41 -0.925 -17.527 -7.643 1.00 10.08 C ATOM 222 C LEU A 41 -0.571 -16.168 -8.284 1.00 9.13 C ATOM 223 O LEU A 41 -0.930 -15.037 -7.790 1.00 9.00 O ATOM 224 CB LEU A 41 0.283 -18.091 -6.956 1.00 14.69 C ATOM 225 CG LEU A 41 0.844 -17.282 -5.830 1.00 15.26 C ATOM 226 CD1 LEU A 41 -0.103 -17.288 -4.592 1.00 13.14 C ATOM 227 CD2 LEU A 41 2.226 -17.810 -5.635 1.00 16.96 C ATOM 228 H LEU A 41 -0.807 -18.799 -9.357 1.00 0.00 H ATOM 229 N CYS A 42 0.172 -16.256 -9.381 1.00 8.58 N ATOM 230 CA CYS A 42 0.646 -15.022 -10.038 1.00 7.31 C ATOM 231 C CYS A 42 0.609 -15.224 -11.571 1.00 7.36 C ATOM 232 O CYS A 42 0.697 -16.339 -12.059 1.00 8.26 O ATOM 233 CB CYS A 42 2.032 -14.580 -9.575 1.00 8.80 C ATOM 234 SG CYS A 42 2.114 -13.878 -7.952 1.00 10.38 S ATOM 235 H CYS A 42 0.418 -17.187 -9.774 1.00 0.00 H ATOM 236 N GLY A 43 0.570 -14.101 -12.278 1.00 5.87 N ATOM 237 CA GLY A 43 0.894 -14.117 -13.689 1.00 6.88 C ATOM 238 C GLY A 43 2.367 -14.239 -13.924 1.00 8.24 C ATOM 239 O GLY A 43 3.142 -14.105 -13.011 1.00 6.03 O ATOM 240 H GLY A 43 0.306 -13.207 -11.817 1.00 0.00 H ATOM 241 N GLY A 44 2.704 -14.546 -15.206 1.00 7.25 N ATOM 242 CA GLY A 44 4.105 -14.551 -15.584 1.00 6.89 C ATOM 243 C GLY A 44 4.171 -14.444 -17.053 1.00 5.65 C ATOM 244 O GLY A 44 3.161 -14.662 -17.749 1.00 5.89 O ATOM 245 H GLY A 44 1.968 -14.774 -15.905 1.00 0.00 H ATOM 246 N VAL A 45 5.354 -14.185 -17.548 1.00 6.79 N ATOM 247 CA VAL A 45 5.565 -13.962 -18.966 1.00 6.91 C ATOM 248 C VAL A 45 6.699 -14.911 -19.453 1.00 7.28 C ATOM 249 O VAL A 45 7.850 -14.791 -18.962 1.00 7.98 O ATOM 250 CB VAL A 45 5.961 -12.489 -19.292 1.00 8.68 C ATOM 251 CG1 VAL A 45 5.912 -12.193 -20.773 1.00 8.60 C ATOM 252 CG2 VAL A 45 5.163 -11.442 -18.360 1.00 10.69 C ATOM 253 H VAL A 45 6.169 -14.137 -16.904 1.00 0.00 H ATOM 254 N LEU A 46 6.460 -15.667 -20.543 1.00 7.07 N ATOM 255 CA LEU A 46 7.546 -16.499 -21.069 1.00 7.38 C ATOM 256 C LEU A 46 8.415 -15.483 -21.799 1.00 7.28 C ATOM 257 O LEU A 46 8.013 -14.855 -22.772 1.00 7.65 O ATOM 258 CB LEU A 46 6.929 -17.486 -22.016 1.00 7.93 C ATOM 259 CG LEU A 46 7.884 -18.618 -22.480 1.00 8.37 C ATOM 260 CD1 LEU A 46 8.396 -19.496 -21.373 1.00 8.94 C ATOM 261 CD2 LEU A 46 7.189 -19.399 -23.559 1.00 9.20 C ATOM 262 H LEU A 46 5.526 -15.660 -21.000 1.00 0.00 H ATOM 263 N VAL A 47 9.682 -15.464 -21.430 1.00 7.85 N ATOM 264 CA VAL A 47 10.666 -14.576 -22.100 1.00 8.19 C ATOM 265 C VAL A 47 11.852 -15.304 -22.733 1.00 9.27 C ATOM 266 O VAL A 47 12.621 -14.727 -23.546 1.00 10.50 O ATOM 267 CB VAL A 47 11.171 -13.441 -21.197 1.00 8.87 C ATOM 268 CG1 VAL A 47 10.009 -12.504 -20.781 1.00 8.00 C ATOM 269 CG2 VAL A 47 11.980 -14.039 -20.048 1.00 7.18 C ATOM 270 H VAL A 47 9.997 -16.082 -20.656 1.00 0.00 H ATOM 271 N ALA A 48 11.901 -16.577 -22.512 1.00 8.12 N ATOM 272 CA ALA A 48 12.848 -17.425 -23.281 1.00 7.53 C ATOM 273 C ALA A 48 12.264 -18.836 -23.234 1.00 7.23 C ATOM 274 O ALA A 48 11.346 -19.106 -22.497 1.00 10.24 O ATOM 275 CB ALA A 48 14.282 -17.348 -22.765 1.00 7.54 C ATOM 276 H ALA A 48 11.279 -17.006 -21.798 1.00 0.00 H ATOM 277 N GLU A 49 12.873 -19.764 -23.937 1.00 9.68 N ATOM 278 CA GLU A 49 12.380 -21.119 -23.960 1.00 11.54 C ATOM 279 C GLU A 49 12.299 -21.774 -22.612 1.00 11.08 C ATOM 280 O GLU A 49 11.445 -22.602 -22.351 1.00 13.20 O ATOM 281 CB GLU A 49 13.306 -21.929 -24.900 1.00 17.36 C ATOM 282 CG GLU A 49 13.204 -21.686 -26.402 1.00 23.49 C ATOM 283 CD GLU A 49 13.448 -22.938 -27.287 1.00 39.23 C ATOM 284 OE1 GLU A 49 13.497 -24.124 -26.738 1.00 38.46 O ATOM 285 OE2 GLU A 49 13.584 -22.683 -28.576 1.00 41.02 O ATOM 286 H GLU A 49 13.722 -19.518 -24.484 1.00 0.00 H ATOM 287 N GLN A 50 13.192 -21.391 -21.744 1.00 8.84 N ATOM 288 CA GLN A 50 13.281 -22.053 -20.444 1.00 9.86 C ATOM 289 C GLN A 50 13.120 -21.040 -19.286 1.00 9.62 C ATOM 290 O GLN A 50 13.282 -21.391 -18.115 1.00 10.87 O ATOM 291 CB GLN A 50 14.572 -22.738 -20.316 1.00 11.81 C ATOM 292 CG GLN A 50 14.536 -23.832 -19.241 1.00 14.15 C ATOM 293 CD GLN A 50 15.808 -24.648 -19.165 1.00 18.93 C ATOM 294 OE1 GLN A 50 16.713 -24.440 -19.991 1.00 21.57 O ATOM 295 NE2 GLN A 50 15.867 -25.659 -18.256 1.00 15.27 N ATOM 296 HE22 GLN A 50 15.087 -25.798 -17.582 1.00 0.00 H ATOM 297 HE21 GLN A 50 16.692 -26.292 -18.235 1.00 0.00 H ATOM 298 H GLN A 50 13.842 -20.613 -21.976 1.00 0.00 H ATOM 299 N TRP A 51 12.680 -19.839 -19.561 1.00 7.86 N ATOM 300 CA TRP A 51 12.624 -18.788 -18.469 1.00 8.22 C ATOM 301 C TRP A 51 11.293 -18.002 -18.519 1.00 6.86 C ATOM 302 O TRP A 51 10.827 -17.537 -19.604 1.00 6.65 O ATOM 303 CB TRP A 51 13.687 -17.767 -18.624 1.00 9.56 C ATOM 304 CG TRP A 51 15.004 -18.264 -18.334 1.00 9.91 C ATOM 305 CD1 TRP A 51 15.891 -18.754 -19.212 1.00 10.45 C ATOM 306 CD2 TRP A 51 15.607 -18.326 -17.056 1.00 9.47 C ATOM 307 NE1 TRP A 51 17.070 -18.980 -18.563 1.00 13.41 N ATOM 308 CE2 TRP A 51 16.902 -18.852 -17.239 1.00 10.12 C ATOM 309 CE3 TRP A 51 15.198 -17.940 -15.767 1.00 10.40 C ATOM 310 CZ2 TRP A 51 17.837 -18.973 -16.218 1.00 10.14 C ATOM 311 CZ3 TRP A 51 16.148 -18.047 -14.706 1.00 11.86 C ATOM 312 CH2 TRP A 51 17.451 -18.611 -14.943 1.00 13.21 C ATOM 313 HE1 TRP A 51 17.969 -19.217 -19.028 1.00 0.00 H ATOM 314 H TRP A 51 12.369 -19.606 -20.526 1.00 0.00 H ATOM 315 N VAL A 52 10.664 -17.867 -17.363 1.00 6.41 N ATOM 316 CA VAL A 52 9.527 -17.090 -17.152 1.00 6.99 C ATOM 317 C VAL A 52 9.803 -15.944 -16.158 1.00 7.53 C ATOM 318 O VAL A 52 10.462 -16.095 -15.137 1.00 9.00 O ATOM 319 CB VAL A 52 8.374 -17.953 -16.637 1.00 8.45 C ATOM 320 CG1 VAL A 52 7.192 -17.159 -16.133 1.00 10.81 C ATOM 321 CG2 VAL A 52 7.838 -18.906 -17.716 1.00 8.21 C ATOM 322 H VAL A 52 11.049 -18.382 -16.546 1.00 0.00 H ATOM 323 N LEU A 53 9.436 -14.726 -16.576 1.00 8.30 N ATOM 324 CA LEU A 53 9.500 -13.585 -15.722 1.00 6.96 C ATOM 325 C LEU A 53 8.195 -13.343 -14.985 1.00 6.60 C ATOM 326 O LEU A 53 7.140 -13.397 -15.550 1.00 8.21 O ATOM 327 CB LEU A 53 9.877 -12.435 -16.552 1.00 7.21 C ATOM 328 CG LEU A 53 10.101 -11.065 -16.017 1.00 7.20 C ATOM 329 CD1 LEU A 53 11.295 -11.183 -15.135 1.00 9.48 C ATOM 330 CD2 LEU A 53 10.257 -9.937 -17.128 1.00 8.59 C ATOM 331 H LEU A 53 9.094 -14.608 -17.551 1.00 0.00 H ATOM 332 N SER A 54 8.297 -13.010 -13.711 1.00 6.47 N ATOM 333 CA SER A 54 7.118 -12.775 -12.929 1.00 6.76 C ATOM 334 C SER A 54 7.552 -11.777 -11.874 1.00 9.29 C ATOM 335 O SER A 54 8.562 -10.988 -12.068 1.00 8.75 O ATOM 336 CB SER A 54 6.683 -14.126 -12.336 1.00 7.60 C ATOM 337 OG SER A 54 5.531 -14.032 -11.496 1.00 7.25 O ATOM 338 HG SER A 54 4.770 -13.678 -12.020 1.00 0.00 H ATOM 339 H SER A 54 9.236 -12.918 -13.273 1.00 0.00 H ATOM 340 N ALA A 55 6.853 -11.773 -10.756 1.00 8.54 N ATOM 341 CA ALA A 55 7.131 -10.751 -9.710 1.00 10.13 C ATOM 342 C ALA A 55 7.767 -11.352 -8.469 1.00 11.18 C ATOM 343 O ALA A 55 7.453 -12.435 -8.132 1.00 9.19 O ATOM 344 CB ALA A 55 5.847 -9.956 -9.384 1.00 9.47 C ATOM 345 H ALA A 55 6.108 -12.483 -10.605 1.00 0.00 H ATOM 346 N ALA A 56 8.593 -10.599 -7.721 1.00 10.47 N ATOM 347 CA ALA A 56 9.386 -11.199 -6.574 1.00 9.22 C ATOM 348 C ALA A 56 8.565 -11.718 -5.418 1.00 11.25 C ATOM 349 O ALA A 56 8.908 -12.789 -4.892 1.00 11.60 O ATOM 350 CB ALA A 56 10.447 -10.247 -6.143 1.00 10.76 C ATOM 351 H ALA A 56 8.690 -9.585 -7.933 1.00 0.00 H ATOM 352 N HIS A 57 7.440 -11.113 -5.116 1.00 9.59 N ATOM 353 CA HIS A 57 6.735 -11.534 -3.910 1.00 12.93 C ATOM 354 C HIS A 57 5.967 -12.770 -4.151 1.00 13.49 C ATOM 355 O HIS A 57 5.503 -13.387 -3.169 1.00 16.61 O ATOM 356 CB HIS A 57 5.869 -10.457 -3.332 1.00 13.67 C ATOM 357 CG HIS A 57 6.616 -9.197 -3.076 1.00 14.16 C ATOM 358 ND1 HIS A 57 7.846 -9.204 -2.419 1.00 15.98 N ATOM 359 CD2 HIS A 57 6.296 -7.907 -3.294 1.00 15.20 C ATOM 360 CE1 HIS A 57 8.267 -7.955 -2.336 1.00 19.77 C ATOM 361 NE2 HIS A 57 7.329 -7.144 -2.817 1.00 16.33 N ATOM 362 H HIS A 57 7.062 -10.355 -5.719 1.00 0.00 H ATOM 363 N CYS A 58 5.795 -13.132 -5.425 1.00 10.45 N ATOM 364 CA CYS A 58 5.259 -14.482 -5.803 1.00 11.06 C ATOM 365 C CYS A 58 6.068 -15.597 -5.186 1.00 15.25 C ATOM 366 O CYS A 58 5.482 -16.476 -4.713 1.00 20.97 O ATOM 367 CB CYS A 58 5.032 -14.569 -7.300 1.00 10.97 C ATOM 368 SG CYS A 58 4.067 -13.153 -7.998 1.00 12.26 S ATOM 369 H CYS A 58 6.040 -12.458 -6.178 1.00 0.00 H ATOM 370 N LEU A 59 7.374 -15.481 -4.990 1.00 16.45 N ATOM 371 CA LEU A 59 8.151 -16.601 -4.523 1.00 15.29 C ATOM 372 C LEU A 59 8.086 -16.692 -3.011 1.00 20.26 C ATOM 373 O LEU A 59 8.264 -17.726 -2.438 1.00 22.90 O ATOM 374 CB LEU A 59 9.609 -16.382 -4.830 1.00 18.13 C ATOM 375 CG LEU A 59 10.519 -17.594 -4.681 1.00 15.64 C ATOM 376 CD1 LEU A 59 10.017 -18.769 -5.582 1.00 16.91 C ATOM 377 CD2 LEU A 59 11.938 -17.120 -4.945 1.00 13.74 C ATOM 378 H LEU A 59 7.843 -14.571 -5.175 1.00 0.00 H ATOM 379 N GLU A 60 7.849 -15.580 -2.357 1.00 23.62 N ATOM 380 CA GLU A 60 7.764 -15.612 -0.864 1.00 20.38 C ATOM 381 C GLU A 60 6.514 -16.362 -0.264 1.00 25.52 C ATOM 382 O GLU A 60 5.328 -16.121 -0.725 1.00 32.95 O ATOM 383 CB GLU A 60 7.788 -14.162 -0.353 1.00 26.12 C ATOM 384 CG GLU A 60 9.079 -13.427 -0.632 1.00 26.97 C ATOM 385 CD GLU A 60 8.954 -11.999 -0.366 1.00 30.59 C ATOM 386 OE1 GLU A 60 8.244 -11.632 0.581 1.00 41.17 O ATOM 387 OE2 GLU A 60 9.549 -11.210 -1.067 1.00 38.88 O ATOM 388 H GLU A 60 7.721 -14.685 -2.871 1.00 0.00 H TER 389 GLU A 60 ATOM 390 N GLY A 62 5.773 -24.186 -0.251 1.00 37.15 N ATOM 391 CA GLY A 62 5.127 -25.165 -1.114 1.00 41.72 C ATOM 392 C GLY A 62 5.699 -25.285 -2.523 1.00 44.25 C ATOM 393 O GLY A 62 6.763 -24.721 -2.862 1.00 47.30 O ATOM 394 HN3 GLY A 62 5.694 -23.242 -0.680 1.00 0.00 H ATOM 395 HN2 GLY A 62 6.777 -24.434 -0.139 1.00 0.00 H ATOM 396 HN1 GLY A 62 5.308 -24.186 0.679 1.00 0.00 H ATOM 397 N LYS A 63 4.965 -26.045 -3.332 1.00 48.70 N ATOM 398 CA LYS A 63 5.333 -26.390 -4.728 1.00 40.91 C ATOM 399 C LYS A 63 5.085 -25.229 -5.743 1.00 40.11 C ATOM 400 O LYS A 63 3.886 -25.044 -6.199 1.00 34.04 O ATOM 401 CB LYS A 63 4.554 -27.687 -5.108 1.00 37.13 C ATOM 402 CG LYS A 63 4.871 -28.293 -6.465 1.00 45.54 C ATOM 403 CD LYS A 63 6.358 -28.641 -6.543 1.00 52.63 C ATOM 404 CE LYS A 63 6.661 -29.783 -7.509 1.00 52.37 C ATOM 405 NZ LYS A 63 8.059 -29.659 -8.029 1.00 45.79 N ATOM 406 HZ1 LYS A 63 8.163 -28.752 -8.528 1.00 0.00 H ATOM 407 HZ2 LYS A 63 8.728 -29.697 -7.234 1.00 0.00 H ATOM 408 HZ3 LYS A 63 8.254 -30.442 -8.686 1.00 0.00 H ATOM 409 H LYS A 63 4.071 -26.424 -2.960 1.00 0.00 H ATOM 410 N VAL A 64 6.155 -24.464 -6.096 1.00 31.56 N ATOM 411 CA VAL A 64 6.010 -23.461 -7.254 1.00 21.86 C ATOM 412 C VAL A 64 6.173 -24.051 -8.702 1.00 15.12 C ATOM 413 O VAL A 64 7.198 -24.490 -9.076 1.00 16.55 O ATOM 414 CB VAL A 64 6.867 -22.244 -7.146 1.00 26.57 C ATOM 415 CG1 VAL A 64 6.721 -21.460 -8.452 1.00 20.82 C ATOM 416 CG2 VAL A 64 6.418 -21.348 -5.999 1.00 32.13 C ATOM 417 H VAL A 64 7.059 -24.556 -5.589 1.00 0.00 H ATOM 418 N GLN A 65 5.106 -24.035 -9.513 1.00 12.09 N ATOM 419 CA GLN A 65 5.116 -24.548 -10.873 1.00 8.65 C ATOM 420 C GLN A 65 4.608 -23.527 -11.830 1.00 9.15 C ATOM 421 O GLN A 65 4.074 -22.540 -11.419 1.00 10.54 O ATOM 422 CB GLN A 65 4.239 -25.726 -10.939 1.00 11.20 C ATOM 423 CG GLN A 65 4.760 -26.880 -10.005 1.00 13.67 C ATOM 424 CD GLN A 65 3.872 -28.132 -9.948 1.00 15.30 C ATOM 425 OE1 GLN A 65 2.655 -28.052 -9.631 1.00 15.15 O ATOM 426 NE2 GLN A 65 4.472 -29.290 -10.150 1.00 14.33 N ATOM 427 HE22 GLN A 65 5.479 -29.316 -10.411 1.00 0.00 H ATOM 428 HE21 GLN A 65 3.938 -30.177 -10.049 1.00 0.00 H ATOM 429 H GLN A 65 4.219 -23.632 -9.148 1.00 0.00 H ATOM 430 N VAL A 66 4.855 -23.719 -13.107 1.00 8.06 N ATOM 431 CA VAL A 66 4.428 -22.769 -14.110 1.00 8.37 C ATOM 432 C VAL A 66 3.599 -23.426 -15.150 1.00 8.35 C ATOM 433 O VAL A 66 3.973 -24.514 -15.709 1.00 6.16 O ATOM 434 CB VAL A 66 5.659 -22.093 -14.720 1.00 8.23 C ATOM 435 CG1 VAL A 66 5.188 -21.158 -15.788 1.00 11.32 C ATOM 436 CG2 VAL A 66 6.473 -21.355 -13.659 1.00 10.64 C ATOM 437 H VAL A 66 5.369 -24.573 -13.402 1.00 0.00 H ATOM 438 N LEU A 67 2.423 -22.884 -15.405 1.00 7.53 N ATOM 439 CA LEU A 67 1.580 -23.482 -16.396 1.00 6.91 C ATOM 440 C LEU A 67 1.590 -22.592 -17.696 1.00 6.79 C ATOM 441 O LEU A 67 1.292 -21.377 -17.708 1.00 7.29 O ATOM 442 CB LEU A 67 0.105 -23.531 -15.879 1.00 7.80 C ATOM 443 CG LEU A 67 -0.970 -23.974 -16.818 1.00 7.40 C ATOM 444 CD1 LEU A 67 -0.804 -25.490 -17.060 1.00 6.52 C ATOM 445 CD2 LEU A 67 -2.387 -23.737 -16.253 1.00 8.24 C ATOM 446 H LEU A 67 2.113 -22.034 -14.893 1.00 0.00 H ATOM 447 N LEU A 68 1.969 -23.214 -18.804 1.00 7.69 N ATOM 448 CA LEU A 68 2.031 -22.580 -20.069 1.00 8.71 C ATOM 449 C LEU A 68 0.936 -23.131 -20.944 1.00 7.08 C ATOM 450 O LEU A 68 0.436 -24.257 -20.762 1.00 7.38 O ATOM 451 CB LEU A 68 3.418 -22.822 -20.715 1.00 7.98 C ATOM 452 CG LEU A 68 4.622 -22.360 -19.930 1.00 7.30 C ATOM 453 CD1 LEU A 68 5.850 -22.611 -20.772 1.00 8.78 C ATOM 454 CD2 LEU A 68 4.487 -20.948 -19.578 1.00 8.86 C ATOM 455 H LEU A 68 2.234 -24.218 -18.741 1.00 0.00 H ATOM 456 N GLY A 69 0.617 -22.400 -21.973 1.00 7.29 N ATOM 457 CA GLY A 69 -0.309 -22.899 -23.045 1.00 6.25 C ATOM 458 C GLY A 69 -1.759 -22.910 -22.612 1.00 6.94 C ATOM 459 O GLY A 69 -2.557 -23.516 -23.277 1.00 8.28 O ATOM 460 H GLY A 69 1.015 -21.443 -22.055 1.00 0.00 H ATOM 461 N ALA A 70 -2.096 -22.169 -21.573 1.00 6.91 N ATOM 462 CA ALA A 70 -3.455 -22.195 -21.046 1.00 6.75 C ATOM 463 C ALA A 70 -4.405 -21.085 -21.359 1.00 6.19 C ATOM 464 O ALA A 70 -4.031 -19.964 -21.543 1.00 6.94 O ATOM 465 CB ALA A 70 -3.355 -22.250 -19.496 1.00 5.93 C ATOM 466 H ALA A 70 -1.383 -21.559 -21.125 1.00 0.00 H ATOM 467 N HIS A 71 -5.699 -21.450 -21.402 1.00 7.23 N ATOM 468 CA HIS A 71 -6.726 -20.487 -21.404 1.00 7.60 C ATOM 469 C HIS A 71 -7.590 -20.677 -20.233 1.00 7.64 C ATOM 470 O HIS A 71 -7.603 -19.801 -19.353 1.00 9.60 O ATOM 471 CB HIS A 71 -7.504 -20.521 -22.725 1.00 8.14 C ATOM 472 CG HIS A 71 -8.523 -19.439 -22.779 1.00 7.06 C ATOM 473 ND1 HIS A 71 -8.130 -18.105 -22.743 1.00 8.75 N ATOM 474 CD2 HIS A 71 -9.863 -19.420 -22.815 1.00 11.83 C ATOM 475 CE1 HIS A 71 -9.187 -17.326 -22.771 1.00 10.19 C ATOM 476 NE2 HIS A 71 -10.247 -18.099 -22.830 1.00 10.54 N ATOM 477 H HIS A 71 -5.945 -22.460 -21.434 1.00 0.00 H ATOM 478 N SER A 72 -8.190 -21.892 -20.154 1.00 7.94 N ATOM 479 CA SER A 72 -8.805 -22.310 -18.888 1.00 7.95 C ATOM 480 C SER A 72 -7.824 -22.917 -17.865 1.00 10.78 C ATOM 481 O SER A 72 -7.038 -23.772 -18.251 1.00 9.37 O ATOM 482 CB SER A 72 -9.940 -23.220 -19.186 1.00 9.48 C ATOM 483 OG SER A 72 -10.361 -23.868 -18.003 1.00 10.69 O ATOM 484 HG SER A 72 -10.650 -23.190 -17.342 1.00 0.00 H ATOM 485 H SER A 72 -8.214 -22.521 -20.982 1.00 0.00 H ATOM 486 N LEU A 73 -7.917 -22.502 -16.606 1.00 8.80 N ATOM 487 CA LEU A 73 -7.077 -23.033 -15.545 1.00 10.98 C ATOM 488 C LEU A 73 -7.463 -24.505 -15.284 1.00 12.07 C ATOM 489 O LEU A 73 -6.624 -25.262 -14.992 1.00 12.04 O ATOM 490 CB LEU A 73 -7.159 -22.215 -14.264 1.00 9.90 C ATOM 491 CG LEU A 73 -6.578 -20.837 -14.336 1.00 8.81 C ATOM 492 CD1 LEU A 73 -6.911 -20.112 -13.039 1.00 12.12 C ATOM 493 CD2 LEU A 73 -5.112 -20.860 -14.557 1.00 10.68 C ATOM 494 H LEU A 73 -8.617 -21.770 -16.371 1.00 0.00 H ATOM 495 N SER A 74 -8.721 -24.848 -15.501 1.00 11.44 N ATOM 496 CA SER A 74 -9.252 -26.103 -14.990 1.00 12.99 C ATOM 497 C SER A 74 -9.597 -27.089 -16.068 1.00 13.64 C ATOM 498 O SER A 74 -9.511 -28.289 -15.745 1.00 17.27 O ATOM 499 CB SER A 74 -10.428 -25.796 -14.055 1.00 11.76 C ATOM 500 OG SER A 74 -11.456 -25.304 -14.935 1.00 15.28 O ATOM 501 HG SER A 74 -11.130 -24.494 -15.402 1.00 0.00 H ATOM 502 H SER A 74 -9.340 -24.213 -16.044 1.00 0.00 H ATOM 503 N GLN A 75 -9.957 -26.666 -17.300 1.00 14.47 N ATOM 504 CA GLN A 75 -10.525 -27.553 -18.356 1.00 12.83 C ATOM 505 C GLN A 75 -9.454 -28.206 -19.198 1.00 11.82 C ATOM 506 O GLN A 75 -8.355 -27.609 -19.391 1.00 11.27 O ATOM 507 CB GLN A 75 -11.461 -26.817 -19.315 1.00 14.44 C ATOM 508 CG GLN A 75 -12.655 -26.215 -18.698 1.00 18.21 C ATOM 509 CD GLN A 75 -13.620 -25.861 -19.783 1.00 26.22 C ATOM 510 OE1 GLN A 75 -14.595 -26.451 -19.890 1.00 30.82 O ATOM 511 NE2 GLN A 75 -13.214 -25.081 -20.680 1.00 31.35 N ATOM 512 HE22 GLN A 75 -12.323 -24.559 -20.552 1.00 0.00 H ATOM 513 HE21 GLN A 75 -13.768 -24.957 -21.551 1.00 0.00 H ATOM 514 H GLN A 75 -9.830 -25.659 -17.526 1.00 0.00 H ATOM 515 N PRO A 76 -9.696 -29.480 -19.601 1.00 12.69 N ATOM 516 CA PRO A 76 -8.659 -30.086 -20.463 1.00 13.23 C ATOM 517 C PRO A 76 -8.365 -29.208 -21.742 1.00 12.22 C ATOM 518 O PRO A 76 -9.294 -28.788 -22.433 1.00 12.85 O ATOM 519 CB PRO A 76 -9.280 -31.491 -20.874 1.00 12.82 C ATOM 520 CG PRO A 76 -10.687 -31.514 -20.265 1.00 14.46 C ATOM 521 CD PRO A 76 -10.953 -30.306 -19.465 1.00 11.82 C ATOM 522 N GLU A 77 -7.088 -29.034 -22.071 1.00 14.26 N ATOM 523 CA GLU A 77 -6.584 -28.371 -23.251 1.00 11.40 C ATOM 524 C GLU A 77 -5.360 -29.037 -23.654 1.00 11.18 C ATOM 525 O GLU A 77 -4.434 -29.154 -22.882 1.00 10.81 O ATOM 526 CB GLU A 77 -6.305 -26.826 -23.001 1.00 12.04 C ATOM 527 CG GLU A 77 -7.519 -26.090 -22.443 1.00 10.88 C ATOM 528 CD GLU A 77 -7.300 -24.569 -22.257 1.00 13.85 C ATOM 529 OE1 GLU A 77 -6.120 -24.250 -21.852 1.00 16.31 O ATOM 530 OE2 GLU A 77 -8.327 -23.781 -22.200 1.00 12.71 O ATOM 531 H GLU A 77 -6.380 -29.414 -21.411 1.00 0.00 H ATOM 532 N PRO A 78 -5.286 -29.469 -24.882 1.00 9.20 N ATOM 533 CA PRO A 78 -4.021 -30.150 -25.356 1.00 10.20 C ATOM 534 C PRO A 78 -2.797 -29.298 -25.314 1.00 9.99 C ATOM 535 O PRO A 78 -1.760 -29.860 -25.093 1.00 13.78 O ATOM 536 CB PRO A 78 -4.394 -30.573 -26.801 1.00 13.68 C ATOM 537 CG PRO A 78 -5.883 -30.653 -26.751 1.00 17.03 C ATOM 538 CD PRO A 78 -6.462 -29.775 -25.705 1.00 14.87 C ATOM 539 N SER A 79 -2.887 -27.963 -25.532 1.00 9.21 N ATOM 540 CA SER A 79 -1.762 -27.117 -25.417 1.00 9.96 C ATOM 541 C SER A 79 -1.213 -26.872 -23.988 1.00 7.85 C ATOM 542 O SER A 79 -0.128 -26.312 -23.861 1.00 8.55 O ATOM 543 CB SER A 79 -2.000 -25.740 -26.125 1.00 9.30 C ATOM 544 OG SER A 79 -3.140 -25.067 -25.516 1.00 13.32 O ATOM 545 HG SER A 79 -3.947 -25.632 -25.615 1.00 0.00 H ATOM 546 H SER A 79 -3.807 -27.552 -25.790 1.00 0.00 H ATOM 547 N LYS A 80 -1.986 -27.089 -22.996 1.00 7.96 N ATOM 548 CA LYS A 80 -1.593 -26.814 -21.626 1.00 9.85 C ATOM 549 C LYS A 80 -0.493 -27.727 -21.187 1.00 9.97 C ATOM 550 O LYS A 80 -0.583 -28.959 -21.443 1.00 13.33 O ATOM 551 CB LYS A 80 -2.763 -27.036 -20.665 1.00 11.50 C ATOM 552 CG LYS A 80 -3.698 -25.968 -20.605 1.00 15.16 C ATOM 553 CD LYS A 80 -5.060 -26.442 -19.986 1.00 21.72 C ATOM 554 CE LYS A 80 -4.911 -26.472 -18.538 1.00 21.41 C ATOM 555 NZ LYS A 80 -6.325 -26.321 -17.974 1.00 10.34 N ATOM 556 HZ1 LYS A 80 -6.730 -25.418 -18.295 1.00 0.00 H ATOM 557 HZ2 LYS A 80 -6.917 -27.107 -18.310 1.00 0.00 H ATOM 558 HZ3 LYS A 80 -6.286 -26.335 -16.935 1.00 0.00 H ATOM 559 H LYS A 80 -2.934 -27.478 -23.176 1.00 0.00 H ATOM 560 N ARG A 81 0.597 -27.176 -20.650 1.00 8.05 N ATOM 561 CA ARG A 81 1.603 -28.048 -20.024 1.00 10.57 C ATOM 562 C ARG A 81 2.141 -27.319 -18.784 1.00 10.41 C ATOM 563 O ARG A 81 2.383 -26.130 -18.779 1.00 9.39 O ATOM 564 CB ARG A 81 2.794 -28.365 -20.958 1.00 12.97 C ATOM 565 CG ARG A 81 3.381 -29.690 -20.506 1.00 18.22 C ATOM 566 CD ARG A 81 4.204 -30.301 -21.639 1.00 29.97 C ATOM 567 NE ARG A 81 5.519 -30.750 -21.230 1.00 37.46 N ATOM 568 CZ ARG A 81 6.612 -30.721 -21.995 1.00 46.45 C ATOM 569 NH1 ARG A 81 6.570 -30.172 -23.208 1.00 49.88 N ATOM 570 NH2 ARG A 81 7.792 -31.207 -21.522 1.00 52.51 N ATOM 571 HE ARG A 81 5.619 -31.124 -20.265 1.00 0.00 H ATOM 572 HH12 ARG A 81 7.425 -30.152 -23.800 1.00 0.00 H ATOM 573 HH11 ARG A 81 5.682 -29.763 -23.563 1.00 0.00 H ATOM 574 HH22 ARG A 81 8.642 -31.183 -22.121 1.00 0.00 H ATOM 575 HH21 ARG A 81 7.844 -31.603 -20.562 1.00 0.00 H ATOM 576 H ARG A 81 0.733 -26.145 -20.674 1.00 0.00 H ATOM 577 N LEU A 82 2.174 -28.049 -17.707 1.00 8.51 N ATOM 578 CA LEU A 82 2.775 -27.694 -16.435 1.00 8.84 C ATOM 579 C LEU A 82 4.256 -28.076 -16.339 1.00 8.12 C ATOM 580 O LEU A 82 4.633 -29.154 -16.778 1.00 8.36 O ATOM 581 CB LEU A 82 1.995 -28.386 -15.336 1.00 9.18 C ATOM 582 CG LEU A 82 2.136 -27.792 -13.878 1.00 9.24 C ATOM 583 CD1 LEU A 82 1.723 -26.342 -13.759 1.00 8.47 C ATOM 584 CD2 LEU A 82 1.329 -28.681 -12.933 1.00 14.00 C ATOM 585 H LEU A 82 1.723 -28.984 -17.764 1.00 0.00 H ATOM 586 N TYR A 83 5.041 -27.130 -15.808 1.00 8.81 N ATOM 587 CA TYR A 83 6.464 -27.238 -15.616 1.00 9.02 C ATOM 588 C TYR A 83 6.826 -27.006 -14.133 1.00 8.21 C ATOM 589 O TYR A 83 6.269 -26.129 -13.423 1.00 10.84 O ATOM 590 CB TYR A 83 7.288 -26.274 -16.523 1.00 7.24 C ATOM 591 CG TYR A 83 7.047 -26.497 -17.943 1.00 9.25 C ATOM 592 CD1 TYR A 83 5.895 -25.954 -18.594 1.00 8.51 C ATOM 593 CD2 TYR A 83 7.862 -27.354 -18.659 1.00 10.26 C ATOM 594 CE1 TYR A 83 5.690 -26.186 -19.966 1.00 8.70 C ATOM 595 CE2 TYR A 83 7.627 -27.574 -19.979 1.00 9.51 C ATOM 596 CZ TYR A 83 6.518 -27.071 -20.626 1.00 9.69 C ATOM 597 OH TYR A 83 6.468 -27.386 -22.000 1.00 13.20 O ATOM 598 HH TYR A 83 5.650 -26.995 -22.397 1.00 0.00 H ATOM 599 H TYR A 83 4.585 -26.244 -15.510 1.00 0.00 H ATOM 600 N ASP A 84 7.769 -27.835 -13.671 1.00 9.07 N ATOM 601 CA ASP A 84 8.477 -27.529 -12.435 1.00 9.45 C ATOM 602 C ASP A 84 9.579 -26.470 -12.650 1.00 10.42 C ATOM 603 O ASP A 84 9.901 -26.152 -13.730 1.00 12.07 O ATOM 604 CB ASP A 84 9.115 -28.825 -11.892 1.00 14.22 C ATOM 605 CG ASP A 84 8.052 -29.772 -11.279 1.00 16.12 C ATOM 606 OD1 ASP A 84 7.252 -29.335 -10.438 1.00 19.41 O ATOM 607 OD2 ASP A 84 7.983 -30.937 -11.652 1.00 20.63 O ATOM 608 H ASP A 84 7.998 -28.703 -14.197 1.00 0.00 H ATOM 609 N VAL A 85 10.027 -25.878 -11.582 1.00 12.30 N ATOM 610 CA VAL A 85 10.961 -24.840 -11.577 1.00 10.34 C ATOM 611 C VAL A 85 12.293 -25.407 -11.087 1.00 12.91 C ATOM 612 O VAL A 85 12.378 -25.818 -9.937 1.00 17.10 O ATOM 613 CB VAL A 85 10.523 -23.658 -10.678 1.00 11.74 C ATOM 614 CG1 VAL A 85 11.681 -22.646 -10.495 1.00 14.63 C ATOM 615 CG2 VAL A 85 9.274 -22.963 -11.265 1.00 13.06 C ATOM 616 H VAL A 85 9.662 -26.202 -10.663 1.00 0.00 H ATOM 617 N LEU A 86 13.311 -25.327 -11.935 1.00 12.60 N ATOM 618 CA LEU A 86 14.693 -25.719 -11.536 1.00 13.94 C ATOM 619 C LEU A 86 15.319 -24.723 -10.623 1.00 14.46 C ATOM 620 O LEU A 86 16.082 -25.063 -9.701 1.00 19.93 O ATOM 621 CB LEU A 86 15.611 -25.851 -12.735 1.00 13.66 C ATOM 622 CG LEU A 86 16.947 -26.595 -12.739 1.00 19.54 C ATOM 623 CD1 LEU A 86 16.664 -28.040 -12.348 1.00 21.65 C ATOM 624 CD2 LEU A 86 17.527 -26.627 -14.148 1.00 21.90 C ATOM 625 H LEU A 86 13.140 -24.982 -12.901 1.00 0.00 H ATOM 626 N ARG A 87 15.141 -23.418 -10.970 1.00 15.90 N ATOM 627 CA ARG A 87 15.801 -22.359 -10.215 1.00 12.68 C ATOM 628 C ARG A 87 14.933 -21.145 -10.235 1.00 10.49 C ATOM 629 O ARG A 87 14.423 -20.822 -11.260 1.00 12.34 O ATOM 630 CB ARG A 87 17.160 -22.064 -10.818 1.00 12.89 C ATOM 631 CG ARG A 87 17.867 -21.350 -9.763 1.00 20.59 C ATOM 632 CD ARG A 87 19.197 -20.915 -10.065 1.00 24.49 C ATOM 633 NE ARG A 87 19.515 -20.887 -11.454 1.00 25.53 N ATOM 634 CZ ARG A 87 20.144 -19.882 -12.067 1.00 31.94 C ATOM 635 NH1 ARG A 87 20.487 -18.768 -11.411 1.00 28.07 N ATOM 636 NH2 ARG A 87 20.452 -20.010 -13.383 1.00 34.30 N ATOM 637 HE ARG A 87 19.238 -21.707 -12.030 1.00 0.00 H ATOM 638 HH12 ARG A 87 20.977 -17.999 -11.912 1.00 0.00 H ATOM 639 HH11 ARG A 87 20.264 -18.670 -10.400 1.00 0.00 H ATOM 640 HH22 ARG A 87 20.942 -19.239 -13.880 1.00 0.00 H ATOM 641 HH21 ARG A 87 20.198 -20.879 -13.894 1.00 0.00 H ATOM 642 H ARG A 87 14.532 -23.176 -11.777 1.00 0.00 H ATOM 643 N ALA A 88 14.757 -20.543 -9.065 1.00 8.75 N ATOM 644 CA ALA A 88 14.079 -19.208 -8.929 1.00 9.52 C ATOM 645 C ALA A 88 15.055 -18.174 -8.522 1.00 11.25 C ATOM 646 O ALA A 88 15.879 -18.346 -7.547 1.00 17.42 O ATOM 647 CB ALA A 88 12.949 -19.274 -8.008 1.00 12.08 C ATOM 648 H ALA A 88 15.103 -21.015 -8.205 1.00 0.00 H ATOM 649 N VAL A 89 15.047 -17.144 -9.305 1.00 10.85 N ATOM 650 CA VAL A 89 15.961 -16.027 -9.170 1.00 9.51 C ATOM 651 C VAL A 89 15.244 -14.671 -8.948 1.00 9.27 C ATOM 652 O VAL A 89 14.833 -13.966 -9.889 1.00 9.15 O ATOM 653 CB VAL A 89 16.904 -15.949 -10.342 1.00 11.48 C ATOM 654 CG1 VAL A 89 17.985 -14.903 -10.091 1.00 16.80 C ATOM 655 CG2 VAL A 89 17.488 -17.275 -10.729 1.00 13.97 C ATOM 656 H VAL A 89 14.347 -17.116 -10.073 1.00 0.00 H ATOM 657 N PRO A 90 14.969 -14.359 -7.696 1.00 9.94 N ATOM 658 CA PRO A 90 14.419 -13.076 -7.438 1.00 10.38 C ATOM 659 C PRO A 90 15.466 -12.038 -7.689 1.00 10.17 C ATOM 660 O PRO A 90 16.674 -12.294 -7.580 1.00 10.40 O ATOM 661 CB PRO A 90 14.054 -13.145 -5.933 1.00 10.62 C ATOM 662 CG PRO A 90 15.113 -14.092 -5.367 1.00 12.38 C ATOM 663 CD PRO A 90 15.172 -15.163 -6.442 1.00 12.28 C ATOM 664 N HIS A 91 15.054 -10.799 -7.927 1.00 9.11 N ATOM 665 CA HIS A 91 15.988 -9.737 -8.014 1.00 9.62 C ATOM 666 C HIS A 91 16.718 -9.571 -6.731 1.00 10.60 C ATOM 667 O HIS A 91 16.058 -9.478 -5.736 1.00 11.06 O ATOM 668 CB HIS A 91 15.300 -8.471 -8.470 1.00 9.60 C ATOM 669 CG HIS A 91 16.274 -7.397 -8.849 1.00 11.32 C ATOM 670 ND1 HIS A 91 17.002 -6.632 -7.955 1.00 12.29 N ATOM 671 CD2 HIS A 91 16.742 -7.078 -10.076 1.00 11.63 C ATOM 672 CE1 HIS A 91 17.830 -5.858 -8.632 1.00 11.46 C ATOM 673 NE2 HIS A 91 17.699 -6.134 -9.911 1.00 15.09 N ATOM 674 H HIS A 91 14.039 -10.606 -8.050 1.00 0.00 H ATOM 675 N PRO A 92 18.083 -9.502 -6.726 1.00 12.68 N ATOM 676 CA PRO A 92 18.805 -9.451 -5.514 1.00 12.59 C ATOM 677 C PRO A 92 18.455 -8.270 -4.593 1.00 12.59 C ATOM 678 O PRO A 92 18.726 -8.373 -3.362 1.00 15.23 O ATOM 679 CB PRO A 92 20.290 -9.484 -5.956 1.00 14.23 C ATOM 680 CG PRO A 92 20.344 -9.516 -7.398 1.00 18.32 C ATOM 681 CD PRO A 92 18.950 -9.354 -7.902 1.00 17.30 C ATOM 682 N ASP A 93 17.907 -7.161 -5.115 1.00 10.10 N ATOM 683 CA ASP A 93 17.568 -5.946 -4.263 1.00 12.45 C ATOM 684 C ASP A 93 16.081 -5.979 -3.859 1.00 11.30 C ATOM 685 O ASP A 93 15.546 -5.065 -3.158 1.00 12.79 O ATOM 686 CB ASP A 93 17.952 -4.725 -4.995 1.00 14.38 C ATOM 687 CG ASP A 93 19.475 -4.662 -5.230 1.00 15.61 C ATOM 688 OD1 ASP A 93 20.264 -5.147 -4.401 1.00 22.30 O ATOM 689 OD2 ASP A 93 19.862 -4.210 -6.305 1.00 25.00 O ATOM 690 H ASP A 93 17.708 -7.131 -6.135 1.00 0.00 H ATOM 691 N SER A 94 15.336 -6.983 -4.332 1.00 12.03 N ATOM 692 CA SER A 94 13.942 -7.105 -3.839 1.00 12.55 C ATOM 693 C SER A 94 13.887 -7.286 -2.279 1.00 13.94 C ATOM 694 O SER A 94 14.768 -7.780 -1.643 1.00 16.98 O ATOM 695 CB SER A 94 13.155 -8.167 -4.625 1.00 13.01 C ATOM 696 OG SER A 94 13.667 -9.425 -4.379 1.00 10.53 O ATOM 697 HG SER A 94 14.616 -9.454 -4.658 1.00 0.00 H ATOM 698 H SER A 94 15.721 -7.657 -5.024 1.00 0.00 H ATOM 699 N GLN A 95 12.842 -6.766 -1.650 1.00 12.94 N ATOM 700 CA GLN A 95 12.649 -6.896 -0.241 1.00 12.50 C ATOM 701 C GLN A 95 11.160 -7.155 -0.025 1.00 11.65 C ATOM 702 O GLN A 95 10.338 -6.577 -0.751 1.00 10.69 O ATOM 703 CB GLN A 95 13.057 -5.564 0.437 1.00 16.96 C ATOM 704 CG GLN A 95 14.544 -5.285 0.718 1.00 23.85 C ATOM 705 CD GLN A 95 14.709 -3.824 1.240 1.00 35.83 C ATOM 706 OE1 GLN A 95 13.792 -3.233 1.915 1.00 35.33 O ATOM 707 NE2 GLN A 95 15.828 -3.229 0.939 1.00 40.94 N ATOM 708 HE22 GLN A 95 16.554 -3.733 0.390 1.00 0.00 H ATOM 709 HE21 GLN A 95 15.996 -2.250 1.247 1.00 0.00 H ATOM 710 H GLN A 95 12.135 -6.243 -2.205 1.00 0.00 H ATOM 711 N PRO A 96 10.789 -7.827 1.096 1.00 13.58 N ATOM 712 CA PRO A 96 9.351 -8.243 1.121 1.00 14.44 C ATOM 713 C PRO A 96 8.393 -7.083 1.359 1.00 13.46 C ATOM 714 O PRO A 96 7.247 -7.150 0.923 1.00 14.25 O ATOM 715 CB PRO A 96 9.265 -9.116 2.347 1.00 13.47 C ATOM 716 CG PRO A 96 10.628 -9.498 2.696 1.00 14.58 C ATOM 717 CD PRO A 96 11.607 -8.618 2.013 1.00 13.40 C ATOM 718 N ASP A 97 8.900 -6.002 1.942 1.00 9.66 N ATOM 719 CA ASP A 97 8.045 -4.755 2.188 1.00 13.14 C ATOM 720 C ASP A 97 8.062 -3.593 1.189 1.00 12.77 C ATOM 721 O ASP A 97 7.489 -2.530 1.423 1.00 14.52 O ATOM 722 CB ASP A 97 8.276 -4.233 3.591 1.00 10.73 C ATOM 723 CG ASP A 97 9.590 -3.604 3.723 1.00 14.03 C ATOM 724 OD1 ASP A 97 10.505 -4.083 3.033 1.00 16.26 O ATOM 725 OD2 ASP A 97 9.667 -2.537 4.398 1.00 13.22 O ATOM 726 H ASP A 97 9.897 -6.003 2.237 1.00 0.00 H ATOM 727 N THR A 98 8.640 -3.840 -0.005 1.00 11.28 N ATOM 728 CA THR A 98 8.626 -2.796 -1.030 1.00 11.53 C ATOM 729 C THR A 98 8.166 -3.372 -2.338 1.00 12.23 C ATOM 730 O THR A 98 8.240 -4.609 -2.509 1.00 11.02 O ATOM 731 CB THR A 98 9.973 -2.146 -1.265 1.00 14.92 C ATOM 732 OG1 THR A 98 10.819 -3.060 -2.027 1.00 13.92 O ATOM 733 CG2 THR A 98 10.618 -1.766 0.026 1.00 16.61 C ATOM 734 HG1 THR A 98 11.701 -2.639 -2.183 1.00 0.00 H ATOM 735 H THR A 98 9.089 -4.759 -0.194 1.00 0.00 H ATOM 736 N ILE A 99 7.754 -2.497 -3.289 1.00 13.06 N ATOM 737 CA ILE A 99 7.530 -2.996 -4.665 1.00 11.44 C ATOM 738 C ILE A 99 8.636 -2.563 -5.637 1.00 11.06 C ATOM 739 O ILE A 99 8.463 -2.652 -6.783 1.00 16.48 O ATOM 740 CB ILE A 99 6.161 -2.528 -5.240 1.00 12.20 C ATOM 741 CG1 ILE A 99 6.038 -0.937 -5.106 1.00 12.75 C ATOM 742 CG2 ILE A 99 5.049 -3.245 -4.519 1.00 14.23 C ATOM 743 CD1 ILE A 99 4.997 -0.298 -5.974 1.00 18.56 C ATOM 744 H ILE A 99 7.598 -1.495 -3.056 1.00 0.00 H ATOM 745 N ASP A 100 9.816 -2.230 -5.106 1.00 11.85 N ATOM 746 CA ASP A 100 10.992 -1.832 -5.858 1.00 10.88 C ATOM 747 C ASP A 100 11.655 -3.134 -6.253 1.00 12.55 C ATOM 748 O ASP A 100 11.657 -4.144 -5.527 1.00 12.06 O ATOM 749 CB ASP A 100 11.975 -0.944 -5.081 1.00 10.65 C ATOM 750 CG ASP A 100 12.873 -0.149 -5.996 1.00 9.83 C ATOM 751 OD1 ASP A 100 12.819 -0.315 -7.227 1.00 8.40 O ATOM 752 OD2 ASP A 100 13.665 0.657 -5.526 1.00 12.26 O ATOM 753 H ASP A 100 9.899 -2.258 -4.070 1.00 0.00 H ATOM 754 N HIS A 101 12.235 -3.120 -7.413 1.00 10.13 N ATOM 755 CA HIS A 101 13.016 -4.326 -7.844 1.00 9.56 C ATOM 756 C HIS A 101 12.185 -5.636 -7.831 1.00 10.44 C ATOM 757 O HIS A 101 12.600 -6.685 -7.503 1.00 11.37 O ATOM 758 CB HIS A 101 14.341 -4.476 -7.080 1.00 11.67 C ATOM 759 CG HIS A 101 15.004 -3.204 -6.781 1.00 14.05 C ATOM 760 ND1 HIS A 101 15.667 -2.404 -7.711 1.00 18.30 N ATOM 761 CD2 HIS A 101 15.169 -2.611 -5.567 1.00 14.45 C ATOM 762 CE1 HIS A 101 16.205 -1.375 -7.069 1.00 19.59 C ATOM 763 NE2 HIS A 101 15.969 -1.509 -5.776 1.00 19.31 N ATOM 764 H HIS A 101 12.160 -2.288 -8.033 1.00 0.00 H ATOM 765 N ASP A 102 10.934 -5.488 -8.178 1.00 7.92 N ATOM 766 CA ASP A 102 9.968 -6.600 -7.944 1.00 9.67 C ATOM 767 C ASP A 102 9.841 -7.565 -9.100 1.00 10.22 C ATOM 768 O ASP A 102 8.752 -7.781 -9.581 1.00 12.67 O ATOM 769 CB ASP A 102 8.551 -6.051 -7.522 1.00 11.51 C ATOM 770 CG ASP A 102 7.598 -7.145 -6.999 1.00 12.23 C ATOM 771 OD1 ASP A 102 8.022 -8.228 -6.539 1.00 13.69 O ATOM 772 OD2 ASP A 102 6.396 -6.921 -7.126 1.00 13.85 O ATOM 773 H ASP A 102 10.614 -4.600 -8.615 1.00 0.00 H ATOM 774 N LEU A 103 10.955 -8.166 -9.441 1.00 10.88 N ATOM 775 CA LEU A 103 11.049 -9.076 -10.497 1.00 8.40 C ATOM 776 C LEU A 103 11.552 -10.417 -10.047 1.00 9.13 C ATOM 777 O LEU A 103 12.279 -10.506 -9.065 1.00 10.74 O ATOM 778 CB LEU A 103 11.956 -8.588 -11.584 1.00 9.51 C ATOM 779 CG LEU A 103 11.435 -7.419 -12.419 1.00 10.26 C ATOM 780 CD1 LEU A 103 12.436 -7.037 -13.468 1.00 10.91 C ATOM 781 CD2 LEU A 103 10.097 -7.614 -13.077 1.00 8.27 C ATOM 782 H LEU A 103 11.815 -7.954 -8.896 1.00 0.00 H ATOM 783 N LEU A 104 11.196 -11.427 -10.762 1.00 7.36 N ATOM 784 CA LEU A 104 11.563 -12.793 -10.377 1.00 7.35 C ATOM 785 C LEU A 104 11.750 -13.562 -11.676 1.00 7.30 C ATOM 786 O LEU A 104 10.881 -13.475 -12.615 1.00 8.17 O ATOM 787 CB LEU A 104 10.415 -13.449 -9.537 1.00 7.09 C ATOM 788 CG LEU A 104 10.372 -15.006 -9.388 1.00 7.39 C ATOM 789 CD1 LEU A 104 11.531 -15.262 -8.393 1.00 9.44 C ATOM 790 CD2 LEU A 104 9.069 -15.272 -8.739 1.00 7.43 C ATOM 791 H LEU A 104 10.639 -11.271 -11.626 1.00 0.00 H ATOM 792 N LEU A 105 12.874 -14.255 -11.847 1.00 7.78 N ATOM 793 CA LEU A 105 13.110 -15.106 -13.024 1.00 7.86 C ATOM 794 C LEU A 105 13.043 -16.537 -12.608 1.00 7.95 C ATOM 795 O LEU A 105 13.669 -16.898 -11.651 1.00 11.50 O ATOM 796 CB LEU A 105 14.406 -14.716 -13.769 1.00 9.30 C ATOM 797 CG LEU A 105 14.305 -13.539 -14.715 1.00 11.05 C ATOM 798 CD1 LEU A 105 15.667 -12.939 -15.106 1.00 9.33 C ATOM 799 CD2 LEU A 105 13.503 -14.042 -15.938 1.00 10.23 C ATOM 800 H LEU A 105 13.615 -14.192 -11.120 1.00 0.00 H ATOM 801 N LEU A 106 12.199 -17.331 -13.313 1.00 8.15 N ATOM 802 CA LEU A 106 11.971 -18.751 -13.022 1.00 8.54 C ATOM 803 C LEU A 106 12.495 -19.600 -14.161 1.00 8.29 C ATOM 804 O LEU A 106 12.023 -19.480 -15.285 1.00 11.59 O ATOM 805 CB LEU A 106 10.476 -19.075 -12.806 1.00 9.19 C ATOM 806 CG LEU A 106 9.816 -18.281 -11.666 1.00 8.65 C ATOM 807 CD1 LEU A 106 8.303 -18.364 -11.816 1.00 11.38 C ATOM 808 CD2 LEU A 106 10.359 -18.673 -10.297 1.00 10.63 C ATOM 809 H LEU A 106 11.681 -16.907 -14.109 1.00 0.00 H ATOM 810 N GLN A 107 13.493 -20.407 -13.914 1.00 9.48 N ATOM 811 CA GLN A 107 14.025 -21.349 -14.905 1.00 12.00 C ATOM 812 C GLN A 107 13.202 -22.658 -14.838 1.00 11.79 C ATOM 813 O GLN A 107 13.106 -23.291 -13.852 1.00 12.61 O ATOM 814 CB GLN A 107 15.522 -21.659 -14.611 1.00 11.29 C ATOM 815 CG GLN A 107 16.172 -22.412 -15.760 1.00 11.67 C ATOM 816 CD GLN A 107 17.605 -22.767 -15.483 1.00 16.00 C ATOM 817 OE1 GLN A 107 18.093 -22.740 -14.335 1.00 23.54 O ATOM 818 NE2 GLN A 107 18.292 -23.127 -16.543 1.00 21.09 N ATOM 819 HE22 GLN A 107 17.839 -23.133 -17.479 1.00 0.00 H ATOM 820 HE21 GLN A 107 19.289 -23.406 -16.446 1.00 0.00 H ATOM 821 H GLN A 107 13.930 -20.380 -12.971 1.00 0.00 H ATOM 822 N LEU A 108 12.604 -23.051 -15.944 1.00 12.02 N ATOM 823 CA LEU A 108 11.757 -24.250 -16.020 1.00 10.68 C ATOM 824 C LEU A 108 12.631 -25.479 -16.005 1.00 12.35 C ATOM 825 O LEU A 108 13.805 -25.430 -16.378 1.00 13.19 O ATOM 826 CB LEU A 108 10.969 -24.212 -17.355 1.00 11.60 C ATOM 827 CG LEU A 108 10.079 -22.930 -17.567 1.00 9.94 C ATOM 828 CD1 LEU A 108 9.241 -23.004 -18.810 1.00 11.73 C ATOM 829 CD2 LEU A 108 9.095 -22.667 -16.433 1.00 11.01 C ATOM 830 H LEU A 108 12.738 -22.485 -16.806 1.00 0.00 H ATOM 831 N SER A 109 12.070 -26.582 -15.519 1.00 13.28 N ATOM 832 CA SER A 109 12.886 -27.778 -15.323 1.00 13.78 C ATOM 833 C SER A 109 13.424 -28.304 -16.646 1.00 16.24 C ATOM 834 O SER A 109 14.343 -29.061 -16.677 1.00 18.12 O ATOM 835 CB SER A 109 12.078 -28.835 -14.614 1.00 17.38 C ATOM 836 OG SER A 109 12.109 -28.388 -13.301 1.00 26.14 O ATOM 837 HG SER A 109 11.701 -27.488 -13.250 1.00 0.00 H ATOM 838 H SER A 109 11.058 -26.593 -15.280 1.00 0.00 H ATOM 839 N GLU A 110 12.721 -27.981 -17.720 1.00 16.34 N ATOM 840 CA GLU A 110 13.198 -28.244 -19.043 1.00 15.30 C ATOM 841 C GLU A 110 12.762 -27.130 -19.923 1.00 14.78 C ATOM 842 O GLU A 110 11.855 -26.356 -19.533 1.00 15.90 O ATOM 843 CB GLU A 110 12.619 -29.558 -19.619 1.00 18.33 C ATOM 844 CG GLU A 110 11.140 -29.739 -19.478 1.00 20.88 C ATOM 845 CD GLU A 110 10.632 -31.115 -19.964 1.00 26.90 C ATOM 846 OE1 GLU A 110 10.628 -31.387 -21.202 1.00 51.21 O ATOM 847 OE2 GLU A 110 10.172 -31.868 -19.131 1.00 36.48 O ATOM 848 H GLU A 110 11.795 -27.523 -17.599 1.00 0.00 H ATOM 849 N LYS A 111 13.284 -27.118 -21.154 1.00 14.28 N ATOM 850 CA LYS A 111 12.857 -26.141 -22.105 1.00 14.57 C ATOM 851 C LYS A 111 11.390 -26.454 -22.457 1.00 13.53 C ATOM 852 O LYS A 111 10.983 -27.581 -22.708 1.00 15.23 O ATOM 853 CB LYS A 111 13.742 -26.120 -23.311 1.00 18.53 C ATOM 854 CG LYS A 111 15.174 -25.658 -22.960 1.00 20.30 C ATOM 855 CD LYS A 111 16.064 -25.742 -24.204 1.00 24.61 C ATOM 856 CE LYS A 111 15.511 -24.928 -25.334 1.00 34.26 C ATOM 857 NZ LYS A 111 16.560 -24.939 -26.405 1.00 50.83 N ATOM 858 HZ1 LYS A 111 17.437 -24.520 -26.034 1.00 0.00 H ATOM 859 HZ2 LYS A 111 16.741 -25.919 -26.701 1.00 0.00 H ATOM 860 HZ3 LYS A 111 16.228 -24.385 -27.220 1.00 0.00 H ATOM 861 H LYS A 111 14.002 -27.821 -21.420 1.00 0.00 H ATOM 862 N ALA A 112 10.600 -25.392 -22.477 1.00 13.30 N ATOM 863 CA ALA A 112 9.213 -25.491 -22.846 1.00 11.52 C ATOM 864 C ALA A 112 9.056 -25.974 -24.305 1.00 12.91 C ATOM 865 O ALA A 112 9.855 -25.590 -25.158 1.00 11.14 O ATOM 866 CB ALA A 112 8.506 -24.149 -22.678 1.00 12.59 C ATOM 867 H ALA A 112 10.992 -24.464 -22.220 1.00 0.00 H ATOM 868 N THR A 113 8.022 -26.764 -24.536 1.00 9.60 N ATOM 869 CA THR A 113 7.623 -27.165 -25.900 1.00 9.20 C ATOM 870 C THR A 113 6.905 -25.971 -26.478 1.00 9.47 C ATOM 871 O THR A 113 5.822 -25.580 -26.034 1.00 10.44 O ATOM 872 CB THR A 113 6.729 -28.418 -25.884 1.00 10.20 C ATOM 873 OG1 THR A 113 7.488 -29.513 -25.321 1.00 14.77 O ATOM 874 CG2 THR A 113 6.216 -28.877 -27.265 1.00 10.67 C ATOM 875 HG1 THR A 113 7.764 -29.282 -24.399 1.00 0.00 H ATOM 876 H THR A 113 7.470 -27.116 -23.728 1.00 0.00 H ATOM 877 N LEU A 114 7.506 -25.368 -27.513 1.00 10.43 N ATOM 878 CA LEU A 114 7.036 -24.169 -28.107 1.00 9.98 C ATOM 879 C LEU A 114 6.131 -24.412 -29.243 1.00 11.77 C ATOM 880 O LEU A 114 6.294 -25.507 -29.887 1.00 12.24 O ATOM 881 CB LEU A 114 8.189 -23.241 -28.537 1.00 12.37 C ATOM 882 CG LEU A 114 9.120 -22.821 -27.421 1.00 11.85 C ATOM 883 CD1 LEU A 114 10.109 -21.855 -28.050 1.00 15.23 C ATOM 884 CD2 LEU A 114 8.510 -22.283 -26.148 1.00 7.57 C ATOM 885 H LEU A 114 8.366 -25.804 -27.903 1.00 0.00 H ATOM 886 N GLY A 115 5.146 -23.498 -29.432 1.00 8.52 N ATOM 887 CA GLY A 115 4.211 -23.595 -30.558 1.00 8.37 C ATOM 888 C GLY A 115 3.337 -22.415 -30.532 1.00 9.38 C ATOM 889 O GLY A 115 3.595 -21.408 -29.898 1.00 10.67 O ATOM 890 H GLY A 115 5.052 -22.709 -28.761 1.00 0.00 H ATOM 891 N PRO A 118 2.352 -22.382 -31.404 1.00 9.71 N ATOM 892 CA PRO A 118 1.520 -21.197 -31.483 1.00 8.42 C ATOM 893 C PRO A 118 0.886 -20.766 -30.152 1.00 8.39 C ATOM 894 O PRO A 118 0.649 -19.574 -29.955 1.00 10.98 O ATOM 895 CB PRO A 118 0.395 -21.664 -32.453 1.00 7.76 C ATOM 896 CG PRO A 118 1.180 -22.596 -33.350 1.00 7.57 C ATOM 897 CD PRO A 118 2.006 -23.413 -32.398 1.00 8.83 C ATOM 898 N ALA A 119 0.612 -21.723 -29.264 1.00 7.22 N ATOM 899 CA ALA A 119 0.061 -21.465 -27.897 1.00 7.74 C ATOM 900 C ALA A 119 1.109 -21.192 -26.798 1.00 8.66 C ATOM 901 O ALA A 119 0.754 -20.830 -25.687 1.00 9.13 O ATOM 902 CB ALA A 119 -0.782 -22.624 -27.450 1.00 9.12 C ATOM 903 H ALA A 119 0.793 -22.710 -29.539 1.00 0.00 H ATOM 904 N VAL A 120 2.379 -21.406 -27.134 1.00 7.66 N ATOM 905 CA VAL A 120 3.463 -21.255 -26.127 1.00 7.87 C ATOM 906 C VAL A 120 4.652 -20.606 -26.822 1.00 7.79 C ATOM 907 O VAL A 120 5.394 -21.282 -27.516 1.00 8.54 O ATOM 908 CB VAL A 120 3.886 -22.587 -25.517 1.00 8.62 C ATOM 909 CG1 VAL A 120 5.030 -22.433 -24.498 1.00 9.36 C ATOM 910 CG2 VAL A 120 2.726 -23.364 -24.859 1.00 9.96 C ATOM 911 H VAL A 120 2.615 -21.681 -28.109 1.00 0.00 H ATOM 912 N ARG A 121 4.747 -19.293 -26.690 1.00 5.86 N ATOM 913 CA ARG A 121 5.791 -18.541 -27.320 1.00 9.23 C ATOM 914 C ARG A 121 6.335 -17.478 -26.528 1.00 7.59 C ATOM 915 O ARG A 121 5.571 -16.736 -26.009 1.00 9.52 O ATOM 916 CB ARG A 121 5.272 -17.991 -28.622 1.00 13.70 C ATOM 917 CG ARG A 121 6.299 -17.608 -29.635 1.00 15.67 C ATOM 918 CD ARG A 121 7.080 -18.804 -30.253 1.00 26.47 C ATOM 919 NE ARG A 121 6.445 -19.993 -30.976 1.00 29.54 N ATOM 920 CZ ARG A 121 7.196 -20.866 -31.710 1.00 40.14 C ATOM 921 NH1 ARG A 121 8.598 -20.792 -31.833 1.00 36.19 N ATOM 922 NH2 ARG A 121 6.585 -21.857 -32.341 1.00 49.48 N ATOM 923 HE ARG A 121 5.418 -20.140 -30.907 1.00 0.00 H ATOM 924 HH12 ARG A 121 9.107 -21.492 -32.410 1.00 0.00 H ATOM 925 HH11 ARG A 121 9.124 -20.037 -31.347 1.00 0.00 H ATOM 926 HH22 ARG A 121 7.138 -22.533 -32.906 1.00 0.00 H ATOM 927 HH21 ARG A 121 5.552 -21.959 -32.272 1.00 0.00 H ATOM 928 H ARG A 121 4.043 -18.792 -26.112 1.00 0.00 H ATOM 929 N PRO A 122 7.674 -17.300 -26.441 1.00 8.25 N ATOM 930 CA PRO A 122 8.172 -16.124 -25.722 1.00 9.48 C ATOM 931 C PRO A 122 7.810 -14.834 -26.418 1.00 7.88 C ATOM 932 O PRO A 122 7.645 -14.773 -27.646 1.00 10.61 O ATOM 933 CB PRO A 122 9.695 -16.320 -25.696 1.00 10.12 C ATOM 934 CG PRO A 122 9.836 -17.791 -26.035 1.00 11.91 C ATOM 935 CD PRO A 122 8.738 -18.178 -26.880 1.00 9.24 C ATOM 936 N LEU A 123 7.696 -13.800 -25.576 1.00 10.28 N ATOM 937 CA LEU A 123 7.487 -12.430 -25.952 1.00 9.62 C ATOM 938 C LEU A 123 8.762 -11.617 -25.890 1.00 8.62 C ATOM 939 O LEU A 123 9.460 -11.699 -24.914 1.00 9.12 O ATOM 940 CB LEU A 123 6.500 -11.751 -24.949 1.00 11.17 C ATOM 941 CG LEU A 123 5.833 -10.508 -25.542 1.00 13.15 C ATOM 942 CD1 LEU A 123 5.040 -10.777 -26.830 1.00 13.16 C ATOM 943 CD2 LEU A 123 5.009 -9.950 -24.321 1.00 11.60 C ATOM 944 H LEU A 123 7.765 -14.007 -24.559 1.00 0.00 H ATOM 945 N PRO A 124 9.055 -10.776 -26.911 1.00 8.94 N ATOM 946 CA PRO A 124 10.138 -9.857 -26.750 1.00 9.88 C ATOM 947 C PRO A 124 9.901 -8.833 -25.705 1.00 9.40 C ATOM 948 O PRO A 124 8.745 -8.441 -25.435 1.00 8.77 O ATOM 949 CB PRO A 124 10.255 -9.068 -28.107 1.00 10.84 C ATOM 950 CG PRO A 124 9.346 -9.709 -29.025 1.00 13.72 C ATOM 951 CD PRO A 124 8.626 -10.884 -28.336 1.00 11.71 C ATOM 952 N TRP A 124A 10.962 -8.494 -25.023 1.00 9.86 N ATOM 953 CA TRP A 124A 10.902 -7.561 -23.891 1.00 10.28 C ATOM 954 C TRP A 124A 11.760 -6.304 -24.201 1.00 8.66 C ATOM 955 O TRP A 124A 12.697 -6.347 -24.951 1.00 7.60 O ATOM 956 CB TRP A 124A 11.226 -8.197 -22.514 1.00 10.11 C ATOM 957 CG TRP A 124A 12.623 -8.899 -22.448 1.00 9.74 C ATOM 958 CD1 TRP A 124A 12.902 -10.199 -22.756 1.00 11.63 C ATOM 959 CD2 TRP A 124A 13.882 -8.300 -22.104 1.00 11.80 C ATOM 960 NE1 TRP A 124A 14.271 -10.432 -22.613 1.00 11.38 N ATOM 961 CE2 TRP A 124A 14.867 -9.282 -22.205 1.00 10.79 C ATOM 962 CE3 TRP A 124A 14.239 -6.998 -21.683 1.00 8.42 C ATOM 963 CZ2 TRP A 124A 16.208 -8.987 -21.991 1.00 11.09 C ATOM 964 CZ3 TRP A 124A 15.530 -6.719 -21.363 1.00 11.02 C ATOM 965 CH2 TRP A 124A 16.510 -7.676 -21.537 1.00 11.88 C ATOM 966 HE1 TRP A 124A 14.754 -11.336 -22.790 1.00 0.00 H ATOM 967 H TRP A 124A 11.882 -8.899 -25.291 1.00 0.00 H ATOM 968 N GLN A 125 11.449 -5.213 -23.575 1.00 7.94 N ATOM 969 CA GLN A 125 12.045 -3.928 -23.891 1.00 7.53 C ATOM 970 C GLN A 125 13.392 -3.825 -23.332 1.00 9.74 C ATOM 971 O GLN A 125 13.557 -3.795 -22.137 1.00 8.95 O ATOM 972 CB GLN A 125 11.178 -2.829 -23.389 1.00 7.86 C ATOM 973 CG GLN A 125 11.563 -1.512 -23.945 1.00 8.78 C ATOM 974 CD GLN A 125 11.768 -1.444 -25.429 1.00 11.23 C ATOM 975 OE1 GLN A 125 12.929 -1.555 -25.965 1.00 11.53 O ATOM 976 NE2 GLN A 125 10.667 -1.352 -26.120 1.00 10.09 N ATOM 977 HE22 GLN A 125 9.753 -1.264 -25.632 1.00 0.00 H ATOM 978 HE21 GLN A 125 10.703 -1.367 -27.159 1.00 0.00 H ATOM 979 H GLN A 125 10.742 -5.260 -22.814 1.00 0.00 H ATOM 980 N ARG A 126 14.396 -3.724 -24.181 1.00 8.52 N ATOM 981 CA ARG A 126 15.835 -3.488 -23.643 1.00 10.32 C ATOM 982 C ARG A 126 16.310 -2.045 -23.734 1.00 9.39 C ATOM 983 O ARG A 126 17.352 -1.669 -23.240 1.00 12.29 O ATOM 984 CB ARG A 126 16.824 -4.475 -24.276 1.00 9.88 C ATOM 985 CG ARG A 126 16.989 -4.285 -25.823 1.00 12.55 C ATOM 986 CD ARG A 126 18.193 -5.194 -26.211 1.00 15.98 C ATOM 987 NE ARG A 126 18.058 -6.627 -25.871 1.00 16.82 N ATOM 988 CZ ARG A 126 18.701 -7.298 -24.914 1.00 13.73 C ATOM 989 NH1 ARG A 126 19.537 -6.728 -24.131 1.00 16.37 N ATOM 990 NH2 ARG A 126 18.491 -8.602 -24.738 1.00 15.08 N ATOM 991 HE ARG A 126 17.384 -7.174 -26.444 1.00 0.00 H ATOM 992 HH12 ARG A 126 20.021 -7.281 -23.395 1.00 0.00 H ATOM 993 HH11 ARG A 126 19.733 -5.711 -24.230 1.00 0.00 H ATOM 994 HH22 ARG A 126 18.999 -9.114 -23.988 1.00 0.00 H ATOM 995 HH21 ARG A 126 17.820 -9.108 -25.350 1.00 0.00 H ATOM 996 H ARG A 126 14.226 -3.802 -25.204 1.00 0.00 H ATOM 997 N VAL A 127 15.574 -1.259 -24.494 1.00 6.59 N ATOM 998 CA VAL A 127 15.894 0.144 -24.655 1.00 9.33 C ATOM 999 C VAL A 127 15.232 1.018 -23.624 1.00 10.00 C ATOM 1000 O VAL A 127 14.005 1.000 -23.475 1.00 12.82 O ATOM 1001 CB VAL A 127 15.565 0.700 -26.097 1.00 13.42 C ATOM 1002 CG1 VAL A 127 15.905 2.182 -26.142 1.00 13.78 C ATOM 1003 CG2 VAL A 127 16.334 -0.125 -27.098 1.00 13.01 C ATOM 1004 H VAL A 127 14.748 -1.654 -24.987 1.00 0.00 H ATOM 1005 N ASP A 128 16.044 1.756 -22.886 1.00 13.22 N ATOM 1006 CA ASP A 128 15.506 2.535 -21.762 1.00 14.30 C ATOM 1007 C ASP A 128 14.852 3.858 -22.169 1.00 17.21 C ATOM 1008 O ASP A 128 15.412 4.962 -22.011 1.00 23.95 O ATOM 1009 CB ASP A 128 16.543 2.661 -20.658 1.00 17.64 C ATOM 1010 CG ASP A 128 15.950 3.296 -19.371 1.00 24.59 C ATOM 1011 OD1 ASP A 128 14.746 3.698 -19.305 1.00 26.96 O ATOM 1012 OD2 ASP A 128 16.737 3.390 -18.405 1.00 33.64 O ATOM 1013 H ASP A 128 17.061 1.785 -23.101 1.00 0.00 H ATOM 1014 N ARG A 129 13.609 3.751 -22.713 1.00 13.88 N ATOM 1015 CA ARG A 129 12.817 4.880 -23.028 1.00 16.90 C ATOM 1016 C ARG A 129 11.405 4.566 -22.560 1.00 16.11 C ATOM 1017 O ARG A 129 10.984 3.379 -22.598 1.00 14.68 O ATOM 1018 CB ARG A 129 12.956 5.294 -24.491 1.00 23.40 C ATOM 1019 CG ARG A 129 14.328 6.019 -24.758 1.00 30.07 C ATOM 1020 CD ARG A 129 14.578 6.744 -26.117 1.00 35.33 C ATOM 1021 NE ARG A 129 15.308 5.916 -27.126 1.00 41.09 N ATOM 1022 CZ ARG A 129 16.633 5.891 -27.332 1.00 50.07 C ATOM 1023 NH1 ARG A 129 17.485 6.598 -26.593 1.00 50.47 N ATOM 1024 NH2 ARG A 129 17.121 5.110 -28.290 1.00 57.47 N ATOM 1025 HE ARG A 129 14.730 5.297 -27.729 1.00 0.00 H ATOM 1026 HH12 ARG A 129 18.506 6.550 -26.787 1.00 0.00 H ATOM 1027 HH11 ARG A 129 17.130 7.199 -25.822 1.00 0.00 H ATOM 1028 HH22 ARG A 129 18.146 5.078 -28.463 1.00 0.00 H ATOM 1029 HH21 ARG A 129 16.478 4.530 -28.866 1.00 0.00 H ATOM 1030 H ARG A 129 13.227 2.803 -22.904 1.00 0.00 H ATOM 1031 N ASP A 129A 10.746 5.571 -22.021 1.00 18.43 N ATOM 1032 CA ASP A 129A 9.373 5.498 -21.631 1.00 17.41 C ATOM 1033 C ASP A 129A 8.413 5.292 -22.781 1.00 16.17 C ATOM 1034 O ASP A 129A 8.495 5.868 -23.878 1.00 15.49 O ATOM 1035 CB ASP A 129A 9.025 6.819 -20.963 1.00 18.33 C ATOM 1036 CG ASP A 129A 9.669 6.967 -19.539 1.00 21.95 C ATOM 1037 OD1 ASP A 129A 10.187 5.941 -18.910 1.00 26.27 O ATOM 1038 OD2 ASP A 129A 9.497 8.076 -18.960 1.00 26.73 O ATOM 1039 H ASP A 129A 11.253 6.467 -21.871 1.00 0.00 H ATOM 1040 N VAL A 130 7.390 4.508 -22.496 1.00 15.27 N ATOM 1041 CA VAL A 130 6.300 4.382 -23.426 1.00 14.16 C ATOM 1042 C VAL A 130 5.583 5.773 -23.426 1.00 10.37 C ATOM 1043 O VAL A 130 5.312 6.340 -22.356 1.00 14.06 O ATOM 1044 CB VAL A 130 5.276 3.270 -23.021 1.00 13.07 C ATOM 1045 CG1 VAL A 130 4.058 3.308 -23.920 1.00 10.70 C ATOM 1046 CG2 VAL A 130 5.844 1.876 -23.003 1.00 14.22 C ATOM 1047 H VAL A 130 7.372 3.982 -21.599 1.00 0.00 H ATOM 1048 N ALA A 131 5.185 6.181 -24.626 1.00 12.99 N ATOM 1049 CA ALA A 131 4.550 7.465 -24.833 1.00 13.16 C ATOM 1050 C ALA A 131 3.274 7.552 -23.965 1.00 14.17 C ATOM 1051 O ALA A 131 2.317 6.748 -24.123 1.00 11.57 O ATOM 1052 CB ALA A 131 4.178 7.651 -26.313 1.00 14.54 C ATOM 1053 H ALA A 131 5.335 5.557 -25.444 1.00 0.00 H ATOM 1054 N PRO A 132 3.220 8.528 -23.077 1.00 10.39 N ATOM 1055 CA PRO A 132 2.000 8.713 -22.327 1.00 10.23 C ATOM 1056 C PRO A 132 0.683 8.713 -23.155 1.00 9.33 C ATOM 1057 O PRO A 132 0.579 9.370 -24.220 1.00 9.26 O ATOM 1058 CB PRO A 132 2.256 10.006 -21.583 1.00 15.08 C ATOM 1059 CG PRO A 132 3.760 10.044 -21.397 1.00 14.59 C ATOM 1060 CD PRO A 132 4.284 9.496 -22.675 1.00 13.30 C ATOM 1061 N GLY A 133 -0.291 7.936 -22.720 1.00 8.21 N ATOM 1062 CA GLY A 133 -1.574 7.815 -23.378 1.00 8.49 C ATOM 1063 C GLY A 133 -1.673 6.626 -24.334 1.00 7.24 C ATOM 1064 O GLY A 133 -2.761 6.185 -24.729 1.00 8.45 O ATOM 1065 H GLY A 133 -0.127 7.380 -21.857 1.00 0.00 H ATOM 1066 N THR A 134 -0.501 6.046 -24.634 1.00 8.67 N ATOM 1067 CA THR A 134 -0.495 4.749 -25.354 1.00 6.72 C ATOM 1068 C THR A 134 -1.323 3.740 -24.587 1.00 7.10 C ATOM 1069 O THR A 134 -1.214 3.624 -23.318 1.00 7.97 O ATOM 1070 CB THR A 134 0.905 4.229 -25.410 1.00 8.29 C ATOM 1071 OG1 THR A 134 1.730 5.201 -26.033 1.00 9.56 O ATOM 1072 CG2 THR A 134 0.913 2.904 -26.136 1.00 8.90 C ATOM 1073 HG1 THR A 134 1.704 6.040 -25.508 1.00 0.00 H ATOM 1074 H THR A 134 0.394 6.501 -24.364 1.00 0.00 H ATOM 1075 N LEU A 135 -2.123 2.952 -25.303 1.00 7.63 N ATOM 1076 CA LEU A 135 -2.859 1.872 -24.645 1.00 8.21 C ATOM 1077 C LEU A 135 -2.090 0.570 -24.698 1.00 7.80 C ATOM 1078 O LEU A 135 -1.617 0.171 -25.757 1.00 9.51 O ATOM 1079 CB LEU A 135 -4.219 1.643 -25.318 1.00 9.92 C ATOM 1080 CG LEU A 135 -5.344 2.623 -25.220 1.00 13.59 C ATOM 1081 CD1 LEU A 135 -6.635 1.962 -25.644 1.00 12.01 C ATOM 1082 CD2 LEU A 135 -5.467 3.263 -23.886 1.00 17.88 C ATOM 1083 H LEU A 135 -2.224 3.104 -26.327 1.00 0.00 H ATOM 1084 N CYS A 136 -1.840 -0.026 -23.477 1.00 7.26 N ATOM 1085 CA CYS A 136 -1.076 -1.290 -23.477 1.00 8.16 C ATOM 1086 C CYS A 136 -2.019 -2.368 -22.942 1.00 6.52 C ATOM 1087 O CYS A 136 -2.906 -2.085 -22.111 1.00 7.22 O ATOM 1088 CB CYS A 136 0.185 -1.085 -22.559 1.00 10.35 C ATOM 1089 SG CYS A 136 1.247 0.139 -23.281 1.00 11.36 S ATOM 1090 H CYS A 136 -2.177 0.400 -22.590 1.00 0.00 H ATOM 1091 N ASP A 137 -1.779 -3.637 -23.286 1.00 8.07 N ATOM 1092 CA ASP A 137 -2.608 -4.734 -22.849 1.00 7.08 C ATOM 1093 C ASP A 137 -2.067 -5.388 -21.615 1.00 6.57 C ATOM 1094 O ASP A 137 -0.850 -5.778 -21.578 1.00 7.18 O ATOM 1095 CB ASP A 137 -2.673 -5.809 -23.953 1.00 9.40 C ATOM 1096 CG ASP A 137 -3.795 -6.823 -23.736 1.00 13.95 C ATOM 1097 OD1 ASP A 137 -4.948 -6.415 -23.850 1.00 14.06 O ATOM 1098 OD2 ASP A 137 -3.502 -8.000 -23.285 1.00 15.90 O ATOM 1099 H ASP A 137 -0.961 -3.842 -23.894 1.00 0.00 H ATOM 1100 N VAL A 138 -2.876 -5.519 -20.570 1.00 6.21 N ATOM 1101 CA VAL A 138 -2.476 -6.405 -19.371 1.00 7.25 C ATOM 1102 C VAL A 138 -3.400 -7.566 -19.240 1.00 5.95 C ATOM 1103 O VAL A 138 -4.661 -7.386 -19.355 1.00 5.38 O ATOM 1104 CB VAL A 138 -2.569 -5.685 -17.998 1.00 7.45 C ATOM 1105 CG1 VAL A 138 -3.971 -5.205 -17.797 1.00 8.66 C ATOM 1106 CG2 VAL A 138 -2.079 -6.607 -16.814 1.00 7.06 C ATOM 1107 H VAL A 138 -3.788 -5.020 -20.559 1.00 0.00 H ATOM 1108 N ALA A 139 -2.853 -8.738 -19.030 1.00 5.36 N ATOM 1109 CA ALA A 139 -3.626 -9.988 -18.966 1.00 6.06 C ATOM 1110 C ALA A 139 -3.386 -10.699 -17.694 1.00 7.14 C ATOM 1111 O ALA A 139 -2.352 -10.607 -17.117 1.00 7.53 O ATOM 1112 CB ALA A 139 -3.249 -10.903 -20.090 1.00 7.04 C ATOM 1113 H ALA A 139 -1.822 -8.787 -18.902 1.00 0.00 H ATOM 1114 N GLY A 140 -4.361 -11.529 -17.343 1.00 7.18 N ATOM 1115 CA GLY A 140 -4.143 -12.369 -16.178 1.00 5.83 C ATOM 1116 C GLY A 140 -5.394 -13.100 -15.725 1.00 5.05 C ATOM 1117 O GLY A 140 -6.501 -12.863 -16.195 1.00 6.08 O ATOM 1118 H GLY A 140 -5.249 -11.576 -17.883 1.00 0.00 H ATOM 1119 N TRP A 141 -5.181 -13.954 -14.699 1.00 4.88 N ATOM 1120 CA TRP A 141 -6.259 -14.696 -14.028 1.00 5.58 C ATOM 1121 C TRP A 141 -6.481 -14.127 -12.653 1.00 5.07 C ATOM 1122 O TRP A 141 -7.051 -14.824 -11.820 1.00 6.35 O ATOM 1123 CB TRP A 141 -5.838 -16.131 -13.920 1.00 6.23 C ATOM 1124 CG TRP A 141 -5.827 -16.893 -15.242 1.00 5.15 C ATOM 1125 CD1 TRP A 141 -6.830 -17.624 -15.785 1.00 6.65 C ATOM 1126 CD2 TRP A 141 -4.697 -17.166 -16.029 1.00 7.39 C ATOM 1127 NE1 TRP A 141 -6.452 -18.194 -16.974 1.00 6.91 N ATOM 1128 CE2 TRP A 141 -5.119 -17.985 -17.132 1.00 6.24 C ATOM 1129 CE3 TRP A 141 -3.362 -16.819 -15.970 1.00 8.44 C ATOM 1130 CZ2 TRP A 141 -4.213 -18.481 -18.079 1.00 6.77 C ATOM 1131 CZ3 TRP A 141 -2.536 -17.270 -16.916 1.00 9.33 C ATOM 1132 CH2 TRP A 141 -2.978 -18.015 -17.983 1.00 7.40 C ATOM 1133 HE1 TRP A 141 -7.075 -18.697 -17.637 1.00 0.00 H ATOM 1134 H TRP A 141 -4.205 -14.093 -14.367 1.00 0.00 H ATOM 1135 N GLY A 142 -6.147 -12.880 -12.415 1.00 5.13 N ATOM 1136 CA GLY A 142 -6.397 -12.223 -11.054 1.00 5.64 C ATOM 1137 C GLY A 142 -7.917 -12.062 -10.863 1.00 5.67 C ATOM 1138 O GLY A 142 -8.769 -12.293 -11.791 1.00 6.51 O ATOM 1139 H GLY A 142 -5.700 -12.323 -13.171 1.00 0.00 H ATOM 1140 N ILE A 143 -8.291 -11.565 -9.700 1.00 8.17 N ATOM 1141 CA ILE A 143 -9.696 -11.333 -9.432 1.00 8.47 C ATOM 1142 C ILE A 143 -10.312 -10.341 -10.442 1.00 7.74 C ATOM 1143 O ILE A 143 -9.650 -9.368 -10.934 1.00 8.63 O ATOM 1144 CB ILE A 143 -9.926 -10.898 -8.003 1.00 9.03 C ATOM 1145 CG1 ILE A 143 -9.322 -9.506 -7.807 1.00 9.91 C ATOM 1146 CG2 ILE A 143 -9.363 -11.932 -7.014 1.00 9.58 C ATOM 1147 CD1 ILE A 143 -9.595 -9.004 -6.389 1.00 11.87 C ATOM 1148 H ILE A 143 -7.579 -11.340 -8.976 1.00 0.00 H ATOM 1149 N VAL A 144 -11.618 -10.536 -10.677 1.00 9.74 N ATOM 1150 CA VAL A 144 -12.362 -9.709 -11.663 1.00 10.81 C ATOM 1151 C VAL A 144 -13.407 -8.791 -11.069 1.00 12.51 C ATOM 1152 O VAL A 144 -14.059 -8.075 -11.838 1.00 14.17 O ATOM 1153 CB VAL A 144 -13.020 -10.584 -12.714 1.00 12.30 C ATOM 1154 CG1 VAL A 144 -11.968 -11.341 -13.477 1.00 9.18 C ATOM 1155 CG2 VAL A 144 -13.952 -11.595 -12.045 1.00 12.04 C ATOM 1156 H VAL A 144 -12.122 -11.283 -10.157 1.00 0.00 H ATOM 1157 N ASN A 145 -13.522 -8.774 -9.730 1.00 11.73 N ATOM 1158 CA ASN A 145 -14.409 -7.788 -9.080 1.00 10.17 C ATOM 1159 C ASN A 145 -14.016 -7.659 -7.661 1.00 12.68 C ATOM 1160 O ASN A 145 -13.141 -8.287 -7.229 1.00 13.67 O ATOM 1161 CB ASN A 145 -15.881 -8.177 -9.225 1.00 11.63 C ATOM 1162 CG ASN A 145 -16.226 -9.517 -8.604 1.00 12.73 C ATOM 1163 OD1 ASN A 145 -15.641 -9.916 -7.633 1.00 15.10 O ATOM 1164 ND2 ASN A 145 -17.310 -10.184 -9.125 1.00 16.65 N ATOM 1165 HD22 ASN A 145 -17.794 -9.812 -9.967 1.00 0.00 H ATOM 1166 HD21 ASN A 145 -17.646 -11.061 -8.677 1.00 0.00 H ATOM 1167 H ASN A 145 -12.987 -9.454 -9.153 1.00 0.00 H ATOM 1168 N HIS A 146 -14.637 -6.727 -6.952 1.00 12.27 N ATOM 1169 CA HIS A 146 -14.271 -6.458 -5.534 1.00 15.88 C ATOM 1170 C HIS A 146 -14.793 -7.480 -4.545 1.00 15.68 C ATOM 1171 O HIS A 146 -14.381 -7.447 -3.405 1.00 20.18 O ATOM 1172 CB HIS A 146 -14.702 -5.064 -5.263 1.00 19.75 C ATOM 1173 CG HIS A 146 -13.796 -4.026 -5.865 1.00 14.36 C ATOM 1174 ND1 HIS A 146 -14.139 -3.168 -6.883 1.00 18.03 N ATOM 1175 CD2 HIS A 146 -12.529 -3.710 -5.532 1.00 17.79 C ATOM 1176 CE1 HIS A 146 -13.089 -2.402 -7.153 1.00 17.37 C ATOM 1177 NE2 HIS A 146 -12.123 -2.690 -6.332 1.00 18.79 N ATOM 1178 H HIS A 146 -15.396 -6.172 -7.396 1.00 0.00 H ATOM 1179 N ALA A 147 -15.644 -8.436 -5.008 1.00 18.69 N ATOM 1180 CA ALA A 147 -16.002 -9.646 -4.261 1.00 16.80 C ATOM 1181 C ALA A 147 -14.950 -10.751 -4.375 1.00 14.96 C ATOM 1182 O ALA A 147 -14.921 -11.655 -3.542 1.00 19.80 O ATOM 1183 CB ALA A 147 -17.423 -10.139 -4.639 1.00 20.78 C ATOM 1184 H ALA A 147 -16.066 -8.300 -5.949 1.00 0.00 H ATOM 1185 N GLY A 149 -13.875 -10.546 -5.231 1.00 17.59 N ATOM 1186 CA GLY A 149 -12.766 -11.493 -5.301 1.00 17.07 C ATOM 1187 C GLY A 149 -13.084 -12.640 -6.234 1.00 12.17 C ATOM 1188 O GLY A 149 -12.411 -13.706 -6.173 1.00 15.04 O ATOM 1189 H GLY A 149 -13.860 -9.700 -5.835 1.00 0.00 H ATOM 1190 N ARG A 150 -14.044 -12.451 -7.162 1.00 14.08 N ATOM 1191 CA ARG A 150 -14.338 -13.540 -8.095 1.00 13.08 C ATOM 1192 C ARG A 150 -13.123 -13.921 -8.914 1.00 11.18 C ATOM 1193 O ARG A 150 -12.421 -13.058 -9.411 1.00 10.74 O ATOM 1194 CB ARG A 150 -15.465 -13.161 -8.995 1.00 13.75 C ATOM 1195 CG ARG A 150 -15.861 -14.345 -9.833 1.00 18.11 C ATOM 1196 CD ARG A 150 -17.074 -13.907 -10.589 1.00 21.70 C ATOM 1197 NE ARG A 150 -17.178 -14.559 -11.837 1.00 27.94 N ATOM 1198 CZ ARG A 150 -18.328 -15.114 -12.266 1.00 47.70 C ATOM 1199 NH1 ARG A 150 -19.498 -15.038 -11.554 1.00 54.09 N ATOM 1200 NH2 ARG A 150 -18.350 -15.745 -13.451 1.00 43.02 N ATOM 1201 HE ARG A 150 -16.337 -14.613 -12.447 1.00 0.00 H ATOM 1202 HH12 ARG A 150 -20.362 -15.482 -11.925 1.00 0.00 H ATOM 1203 HH11 ARG A 150 -19.521 -14.536 -10.643 1.00 0.00 H ATOM 1204 HH22 ARG A 150 -19.232 -16.178 -13.793 1.00 0.00 H ATOM 1205 HH21 ARG A 150 -17.485 -15.801 -14.026 1.00 0.00 H ATOM 1206 H ARG A 150 -14.564 -11.552 -7.214 1.00 0.00 H ATOM 1207 N ARG A 151 -12.821 -15.203 -8.905 1.00 9.27 N ATOM 1208 CA ARG A 151 -11.539 -15.684 -9.450 1.00 11.47 C ATOM 1209 C ARG A 151 -11.962 -16.299 -10.843 1.00 11.63 C ATOM 1210 O ARG A 151 -12.692 -17.293 -10.888 1.00 15.91 O ATOM 1211 CB ARG A 151 -10.923 -16.805 -8.596 1.00 11.88 C ATOM 1212 CG ARG A 151 -10.446 -16.360 -7.211 1.00 13.80 C ATOM 1213 CD ARG A 151 -9.913 -17.390 -6.246 1.00 24.39 C ATOM 1214 NE ARG A 151 -10.814 -18.516 -5.938 1.00 38.39 N ATOM 1215 CZ ARG A 151 -10.724 -19.782 -6.387 1.00 40.07 C ATOM 1216 NH1 ARG A 151 -9.744 -20.172 -7.214 1.00 48.03 N ATOM 1217 NH2 ARG A 151 -11.677 -20.642 -6.055 1.00 40.25 N ATOM 1218 HE ARG A 151 -11.610 -18.308 -5.301 1.00 0.00 H ATOM 1219 HH12 ARG A 151 -9.703 -21.158 -7.543 1.00 0.00 H ATOM 1220 HH11 ARG A 151 -9.025 -19.489 -7.527 1.00 0.00 H ATOM 1221 HH22 ARG A 151 -11.630 -21.626 -6.390 1.00 0.00 H ATOM 1222 HH21 ARG A 151 -12.472 -20.333 -5.460 1.00 0.00 H ATOM 1223 H ARG A 151 -13.497 -15.886 -8.507 1.00 0.00 H ATOM 1224 N PRO A 152 -11.423 -15.827 -11.933 1.00 11.12 N ATOM 1225 CA PRO A 152 -11.851 -16.343 -13.230 1.00 9.91 C ATOM 1226 C PRO A 152 -11.144 -17.655 -13.546 1.00 12.63 C ATOM 1227 O PRO A 152 -9.943 -17.823 -13.301 1.00 11.59 O ATOM 1228 CB PRO A 152 -11.357 -15.286 -14.202 1.00 10.37 C ATOM 1229 CG PRO A 152 -10.096 -14.671 -13.531 1.00 8.30 C ATOM 1230 CD PRO A 152 -10.429 -14.758 -11.994 1.00 9.03 C ATOM 1231 N ASP A 153 -11.830 -18.530 -14.265 1.00 11.80 N ATOM 1232 CA ASP A 153 -11.229 -19.678 -14.786 1.00 9.79 C ATOM 1233 C ASP A 153 -10.494 -19.425 -16.086 1.00 8.62 C ATOM 1234 O ASP A 153 -9.487 -20.082 -16.383 1.00 8.20 O ATOM 1235 CB ASP A 153 -12.308 -20.741 -14.992 1.00 10.94 C ATOM 1236 CG ASP A 153 -11.755 -22.086 -15.589 1.00 10.16 C ATOM 1237 OD1 ASP A 153 -11.018 -22.815 -14.855 1.00 12.81 O ATOM 1238 OD2 ASP A 153 -12.137 -22.357 -16.794 1.00 13.13 O ATOM 1239 H ASP A 153 -12.840 -18.358 -14.446 1.00 0.00 H ATOM 1240 N SER A 154 -11.002 -18.568 -16.903 1.00 9.84 N ATOM 1241 CA SER A 154 -10.341 -18.213 -18.157 1.00 9.49 C ATOM 1242 C SER A 154 -9.583 -16.892 -18.125 1.00 8.08 C ATOM 1243 O SER A 154 -9.924 -15.919 -17.402 1.00 10.50 O ATOM 1244 CB SER A 154 -11.379 -18.185 -19.304 1.00 14.38 C ATOM 1245 OG SER A 154 -12.305 -17.025 -19.188 1.00 20.42 O ATOM 1246 HG SER A 154 -12.794 -17.079 -18.329 1.00 0.00 H ATOM 1247 H SER A 154 -11.908 -18.116 -16.663 1.00 0.00 H ATOM 1248 N LEU A 155 -8.487 -16.863 -18.906 1.00 6.89 N ATOM 1249 CA LEU A 155 -7.669 -15.698 -19.016 1.00 6.41 C ATOM 1250 C LEU A 155 -8.494 -14.428 -19.409 1.00 6.39 C ATOM 1251 O LEU A 155 -9.272 -14.486 -20.347 1.00 7.74 O ATOM 1252 CB LEU A 155 -6.597 -15.876 -20.064 1.00 6.83 C ATOM 1253 CG LEU A 155 -5.559 -14.773 -20.148 1.00 7.36 C ATOM 1254 CD1 LEU A 155 -4.701 -14.617 -18.896 1.00 6.70 C ATOM 1255 CD2 LEU A 155 -4.668 -15.124 -21.293 1.00 7.43 C ATOM 1256 H LEU A 155 -8.229 -17.714 -19.445 1.00 0.00 H ATOM 1257 N GLN A 156 -8.218 -13.357 -18.654 1.00 4.73 N ATOM 1258 CA GLN A 156 -8.791 -11.986 -18.831 1.00 6.14 C ATOM 1259 C GLN A 156 -7.716 -11.026 -19.349 1.00 6.24 C ATOM 1260 O GLN A 156 -6.499 -11.237 -19.141 1.00 6.31 O ATOM 1261 CB GLN A 156 -9.501 -11.451 -17.583 1.00 7.62 C ATOM 1262 CG GLN A 156 -10.320 -12.566 -16.894 1.00 7.35 C ATOM 1263 CD GLN A 156 -11.657 -12.687 -17.554 1.00 8.95 C ATOM 1264 OE1 GLN A 156 -12.302 -11.651 -17.785 1.00 13.57 O ATOM 1265 NE2 GLN A 156 -12.031 -13.905 -17.946 1.00 10.30 N ATOM 1266 HE22 GLN A 156 -11.440 -14.729 -17.717 1.00 0.00 H ATOM 1267 HE21 GLN A 156 -12.914 -14.031 -18.481 1.00 0.00 H ATOM 1268 H GLN A 156 -7.544 -13.490 -17.873 1.00 0.00 H ATOM 1269 N HIS A 157 -8.187 -9.960 -20.002 1.00 5.85 N ATOM 1270 CA HIS A 157 -7.258 -8.915 -20.340 1.00 6.83 C ATOM 1271 C HIS A 157 -8.019 -7.581 -20.423 1.00 6.16 C ATOM 1272 O HIS A 157 -9.295 -7.539 -20.489 1.00 7.78 O ATOM 1273 CB HIS A 157 -6.584 -9.192 -21.685 1.00 8.83 C ATOM 1274 CG HIS A 157 -7.431 -8.900 -22.858 1.00 7.58 C ATOM 1275 ND1 HIS A 157 -7.220 -7.787 -23.643 1.00 8.92 N ATOM 1276 CD2 HIS A 157 -8.532 -9.528 -23.353 1.00 8.18 C ATOM 1277 CE1 HIS A 157 -8.144 -7.786 -24.627 1.00 10.05 C ATOM 1278 NE2 HIS A 157 -8.961 -8.831 -24.470 1.00 10.53 N ATOM 1279 H HIS A 157 -9.193 -9.888 -20.258 1.00 0.00 H ATOM 1280 N VAL A 158 -7.247 -6.471 -20.486 1.00 6.73 N ATOM 1281 CA VAL A 158 -7.784 -5.128 -20.598 1.00 7.43 C ATOM 1282 C VAL A 158 -6.689 -4.302 -21.194 1.00 7.00 C ATOM 1283 O VAL A 158 -5.460 -4.435 -20.795 1.00 7.37 O ATOM 1284 CB VAL A 158 -8.337 -4.596 -19.213 1.00 10.23 C ATOM 1285 CG1 VAL A 158 -7.210 -4.266 -18.178 1.00 12.35 C ATOM 1286 CG2 VAL A 158 -9.244 -3.492 -19.408 1.00 12.11 C ATOM 1287 H VAL A 158 -6.214 -6.587 -20.452 1.00 0.00 H ATOM 1288 N LEU A 159 -7.085 -3.336 -21.996 1.00 8.84 N ATOM 1289 CA LEU A 159 -6.279 -2.257 -22.418 1.00 7.67 C ATOM 1290 C LEU A 159 -6.325 -1.033 -21.484 1.00 8.01 C ATOM 1291 O LEU A 159 -7.391 -0.563 -21.123 1.00 8.98 O ATOM 1292 CB LEU A 159 -6.714 -1.801 -23.812 1.00 9.05 C ATOM 1293 CG LEU A 159 -6.359 -2.773 -24.965 1.00 11.46 C ATOM 1294 CD1 LEU A 159 -7.039 -2.374 -26.277 1.00 12.07 C ATOM 1295 CD2 LEU A 159 -4.834 -2.866 -25.242 1.00 10.28 C ATOM 1296 H LEU A 159 -8.064 -3.371 -22.344 1.00 0.00 H ATOM 1297 N LEU A 160 -5.158 -0.463 -21.239 1.00 7.39 N ATOM 1298 CA LEU A 160 -5.082 0.643 -20.305 1.00 7.48 C ATOM 1299 C LEU A 160 -4.078 1.711 -20.782 1.00 8.65 C ATOM 1300 O LEU A 160 -3.026 1.324 -21.203 1.00 9.65 O ATOM 1301 CB LEU A 160 -4.517 0.062 -18.959 1.00 9.58 C ATOM 1302 CG LEU A 160 -5.287 -0.978 -18.166 1.00 12.26 C ATOM 1303 CD1 LEU A 160 -4.514 -1.559 -16.970 1.00 10.63 C ATOM 1304 CD2 LEU A 160 -6.648 -0.519 -17.621 1.00 11.32 C ATOM 1305 H LEU A 160 -4.299 -0.806 -21.714 1.00 0.00 H ATOM 1306 N PRO A 161 -4.350 3.002 -20.578 1.00 10.63 N ATOM 1307 CA PRO A 161 -3.475 4.049 -21.003 1.00 8.99 C ATOM 1308 C PRO A 161 -2.378 4.282 -20.069 1.00 7.60 C ATOM 1309 O PRO A 161 -2.611 4.266 -18.886 1.00 10.03 O ATOM 1310 CB PRO A 161 -4.335 5.310 -21.051 1.00 12.37 C ATOM 1311 CG PRO A 161 -5.647 4.920 -20.693 1.00 14.19 C ATOM 1312 CD PRO A 161 -5.698 3.521 -20.279 1.00 13.39 C ATOM 1313 N VAL A 162 -1.193 4.393 -20.619 1.00 8.38 N ATOM 1314 CA VAL A 162 0.012 4.640 -19.814 1.00 8.17 C ATOM 1315 C VAL A 162 -0.013 6.086 -19.270 1.00 8.81 C ATOM 1316 O VAL A 162 -0.287 6.995 -20.071 1.00 9.69 O ATOM 1317 CB VAL A 162 1.278 4.396 -20.649 1.00 9.53 C ATOM 1318 CG1 VAL A 162 2.562 4.716 -19.827 1.00 10.57 C ATOM 1319 CG2 VAL A 162 1.339 2.933 -20.985 1.00 10.63 C ATOM 1320 H VAL A 162 -1.103 4.304 -21.651 1.00 0.00 H ATOM 1321 N LEU A 163 0.364 6.293 -17.992 1.00 7.12 N ATOM 1322 CA LEU A 163 0.415 7.701 -17.455 1.00 8.98 C ATOM 1323 C LEU A 163 1.814 8.288 -17.656 1.00 11.72 C ATOM 1324 O LEU A 163 2.793 7.543 -17.746 1.00 14.63 O ATOM 1325 CB LEU A 163 0.019 7.715 -15.946 1.00 10.54 C ATOM 1326 CG LEU A 163 -1.431 7.232 -15.735 1.00 14.04 C ATOM 1327 CD1 LEU A 163 -1.891 6.914 -14.336 1.00 16.15 C ATOM 1328 CD2 LEU A 163 -2.369 8.237 -16.329 1.00 21.69 C ATOM 1329 H LEU A 163 0.617 5.489 -17.383 1.00 0.00 H ATOM 1330 N ASP A 164 1.922 9.647 -17.662 1.00 11.36 N ATOM 1331 CA ASP A 164 3.207 10.289 -17.581 1.00 11.31 C ATOM 1332 C ASP A 164 3.869 10.037 -16.202 1.00 10.40 C ATOM 1333 O ASP A 164 3.181 9.785 -15.255 1.00 11.88 O ATOM 1334 CB ASP A 164 3.158 11.749 -18.039 1.00 12.60 C ATOM 1335 CG ASP A 164 2.248 12.641 -17.209 1.00 16.13 C ATOM 1336 OD1 ASP A 164 1.501 13.495 -17.795 1.00 15.87 O ATOM 1337 OD2 ASP A 164 2.317 12.563 -15.976 1.00 17.20 O ATOM 1338 H ASP A 164 1.062 10.229 -17.726 1.00 0.00 H ATOM 1339 N ARG A 165 5.202 10.052 -16.161 1.00 13.57 N ATOM 1340 CA ARG A 165 5.955 9.778 -14.924 1.00 15.41 C ATOM 1341 C ARG A 165 5.555 10.666 -13.731 1.00 11.53 C ATOM 1342 O ARG A 165 5.385 10.182 -12.634 1.00 15.02 O ATOM 1343 CB ARG A 165 7.463 9.923 -15.222 1.00 22.07 C ATOM 1344 CG ARG A 165 8.347 9.602 -14.052 1.00 23.95 C ATOM 1345 CD ARG A 165 9.785 9.227 -14.438 1.00 31.79 C ATOM 1346 NE ARG A 165 9.876 7.758 -14.269 1.00 42.48 N ATOM 1347 CZ ARG A 165 9.508 6.872 -15.183 1.00 47.64 C ATOM 1348 NH1 ARG A 165 9.085 7.258 -16.377 1.00 63.66 N ATOM 1349 NH2 ARG A 165 9.635 5.569 -14.926 1.00 34.67 N ATOM 1350 HE ARG A 165 10.255 7.397 -13.370 1.00 0.00 H ATOM 1351 HH12 ARG A 165 8.800 6.549 -17.082 1.00 0.00 H ATOM 1352 HH11 ARG A 165 9.038 8.271 -16.610 1.00 0.00 H ATOM 1353 HH22 ARG A 165 9.348 4.868 -15.639 1.00 0.00 H ATOM 1354 HH21 ARG A 165 10.021 5.254 -14.013 1.00 0.00 H ATOM 1355 H ARG A 165 5.729 10.264 -17.032 1.00 0.00 H ATOM 1356 N ALA A 166 5.351 11.952 -14.007 1.00 13.18 N ATOM 1357 CA ALA A 166 4.992 12.864 -12.980 1.00 11.40 C ATOM 1358 C ALA A 166 3.661 12.588 -12.355 1.00 11.87 C ATOM 1359 O ALA A 166 3.549 12.654 -11.221 1.00 14.38 O ATOM 1360 CB ALA A 166 5.056 14.313 -13.484 1.00 11.53 C ATOM 1361 H ALA A 166 5.456 12.292 -14.984 1.00 0.00 H ATOM 1362 N THR A 167 2.669 12.147 -13.106 1.00 10.36 N ATOM 1363 CA THR A 167 1.407 11.717 -12.576 1.00 13.19 C ATOM 1364 C THR A 167 1.601 10.410 -11.748 1.00 12.85 C ATOM 1365 O THR A 167 1.049 10.333 -10.645 1.00 14.97 O ATOM 1366 CB THR A 167 0.360 11.420 -13.656 1.00 11.93 C ATOM 1367 OG1 THR A 167 0.209 12.544 -14.478 1.00 11.30 O ATOM 1368 CG2 THR A 167 -0.965 11.160 -13.047 1.00 14.57 C ATOM 1369 HG1 THR A 167 1.076 12.757 -14.906 1.00 0.00 H ATOM 1370 H THR A 167 2.810 12.109 -14.136 1.00 0.00 H ATOM 1371 N CYS A 168 2.363 9.413 -12.287 1.00 14.63 N ATOM 1372 CA CYS A 168 2.609 8.165 -11.600 1.00 15.70 C ATOM 1373 C CYS A 168 3.237 8.494 -10.220 1.00 17.34 C ATOM 1374 O CYS A 168 2.828 7.966 -9.195 1.00 19.35 O ATOM 1375 CB CYS A 168 3.564 7.355 -12.510 1.00 15.32 C ATOM 1376 SG CYS A 168 3.915 5.681 -11.938 1.00 20.48 S ATOM 1377 H CYS A 168 2.782 9.557 -13.228 1.00 0.00 H ATOM 1378 N ASN A 169 4.261 9.341 -10.170 1.00 16.76 N ATOM 1379 CA ASN A 169 4.686 9.924 -8.829 1.00 21.58 C ATOM 1380 C ASN A 169 3.604 11.108 -8.562 1.00 19.22 C ATOM 1381 O ASN A 169 3.151 11.456 -7.473 1.00 38.84 O ATOM 1382 CB ASN A 169 6.140 10.491 -8.812 1.00 26.64 C ATOM 1383 CG ASN A 169 7.068 9.912 -9.895 1.00 23.48 C ATOM 1384 OD1 ASN A 169 7.149 8.737 -10.087 1.00 34.59 O ATOM 1385 ND2 ASN A 169 7.777 10.793 -10.618 1.00 25.64 N ATOM 1386 HD22 ASN A 169 7.687 11.812 -10.430 1.00 0.00 H ATOM 1387 HD21 ASN A 169 8.416 10.457 -11.367 1.00 0.00 H ATOM 1388 H ASN A 169 4.767 9.603 -11.040 1.00 0.00 H TER 1389 ASN A 169 ATOM 1390 N THR A 177 9.579 6.290 -9.193 1.00 42.80 N ATOM 1391 CA THR A 177 10.965 6.125 -9.591 1.00 30.64 C ATOM 1392 C THR A 177 11.106 6.136 -11.168 1.00 25.34 C ATOM 1393 O THR A 177 10.200 6.311 -12.035 1.00 20.30 O ATOM 1394 CB THR A 177 11.612 4.770 -9.072 1.00 36.37 C ATOM 1395 OG1 THR A 177 10.789 3.684 -9.446 1.00 46.91 O ATOM 1396 CG2 THR A 177 11.964 4.641 -7.523 1.00 37.37 C ATOM 1397 HG1 THR A 177 11.192 2.839 -9.123 1.00 0.00 H ATOM 1398 HN3 THR A 177 9.012 5.511 -9.585 1.00 0.00 H ATOM 1399 HN2 THR A 177 9.221 7.197 -9.555 1.00 0.00 H ATOM 1400 HN1 THR A 177 9.514 6.279 -8.155 1.00 0.00 H ATOM 1401 N GLU A 178 12.310 5.937 -11.553 1.00 18.64 N ATOM 1402 CA GLU A 178 12.553 5.671 -12.955 1.00 22.00 C ATOM 1403 C GLU A 178 12.378 4.209 -13.292 1.00 14.88 C ATOM 1404 O GLU A 178 12.569 3.791 -14.428 1.00 19.05 O ATOM 1405 CB GLU A 178 13.918 6.100 -13.376 1.00 30.11 C ATOM 1406 CG GLU A 178 14.815 6.375 -12.253 1.00 27.22 C ATOM 1407 CD GLU A 178 15.919 7.306 -12.639 1.00 36.89 C ATOM 1408 OE1 GLU A 178 15.910 8.491 -12.302 1.00 46.51 O ATOM 1409 OE2 GLU A 178 16.838 6.812 -13.258 1.00 54.70 O ATOM 1410 H GLU A 178 13.097 5.966 -10.873 1.00 0.00 H ATOM 1411 N ARG A 179 12.066 3.406 -12.314 1.00 14.92 N ATOM 1412 CA ARG A 179 11.974 1.892 -12.554 1.00 14.97 C ATOM 1413 C ARG A 179 10.553 1.373 -12.495 1.00 12.65 C ATOM 1414 O ARG A 179 10.316 0.145 -12.556 1.00 12.79 O ATOM 1415 CB ARG A 179 12.877 1.084 -11.558 1.00 17.42 C ATOM 1416 CG ARG A 179 14.283 1.663 -11.486 1.00 20.96 C ATOM 1417 CD ARG A 179 15.194 0.748 -10.704 1.00 23.93 C ATOM 1418 NE ARG A 179 16.171 0.004 -11.582 1.00 37.17 N ATOM 1419 CZ ARG A 179 17.252 -0.750 -11.215 1.00 43.64 C ATOM 1420 NH1 ARG A 179 17.585 -0.920 -9.928 1.00 41.51 N ATOM 1421 NH2 ARG A 179 18.037 -1.357 -12.161 1.00 28.55 N ATOM 1422 HE ARG A 179 15.999 0.074 -12.605 1.00 0.00 H ATOM 1423 HH12 ARG A 179 18.412 -1.498 -9.677 1.00 0.00 H ATOM 1424 HH11 ARG A 179 17.016 -0.473 -9.180 1.00 0.00 H ATOM 1425 HH22 ARG A 179 18.856 -1.928 -11.869 1.00 0.00 H ATOM 1426 HH21 ARG A 179 17.814 -1.247 -13.171 1.00 0.00 H ATOM 1427 H ARG A 179 11.878 3.792 -11.367 1.00 0.00 H ATOM 1428 N LEU A 180 9.633 2.257 -12.389 1.00 12.40 N ATOM 1429 CA LEU A 180 8.160 1.931 -12.360 1.00 12.28 C ATOM 1430 C LEU A 180 7.440 2.745 -13.467 1.00 13.50 C ATOM 1431 O LEU A 180 7.872 3.880 -13.883 1.00 14.59 O ATOM 1432 CB LEU A 180 7.529 2.271 -11.003 1.00 12.24 C ATOM 1433 CG LEU A 180 8.030 1.588 -9.770 1.00 16.35 C ATOM 1434 CD1 LEU A 180 7.400 2.185 -8.521 1.00 14.97 C ATOM 1435 CD2 LEU A 180 7.710 0.109 -9.847 1.00 16.54 C ATOM 1436 H LEU A 180 9.917 3.255 -12.319 1.00 0.00 H ATOM 1437 N MET A 181 6.370 2.178 -13.974 1.00 11.36 N ATOM 1438 CA MET A 181 5.420 2.964 -14.808 1.00 10.95 C ATOM 1439 C MET A 181 4.003 2.698 -14.227 1.00 11.49 C ATOM 1440 O MET A 181 3.778 1.694 -13.433 1.00 10.33 O ATOM 1441 CB MET A 181 5.541 2.498 -16.266 1.00 12.80 C ATOM 1442 CG MET A 181 5.370 1.011 -16.419 1.00 11.37 C ATOM 1443 SD MET A 181 5.563 0.385 -18.162 1.00 13.17 S ATOM 1444 CE MET A 181 4.531 1.535 -19.052 1.00 15.23 C ATOM 1445 H MET A 181 6.184 1.171 -13.791 1.00 0.00 H ATOM 1446 N CYS A 182 3.074 3.576 -14.599 1.00 8.79 N ATOM 1447 CA CYS A 182 1.743 3.449 -14.184 1.00 9.78 C ATOM 1448 C CYS A 182 0.803 3.453 -15.343 1.00 9.48 C ATOM 1449 O CYS A 182 1.087 4.018 -16.417 1.00 10.68 O ATOM 1450 CB CYS A 182 1.409 4.718 -13.276 1.00 12.06 C ATOM 1451 SG CYS A 182 2.107 4.814 -11.618 1.00 17.23 S ATOM 1452 H CYS A 182 3.343 4.373 -15.211 1.00 0.00 H ATOM 1453 N ALA A 183 -0.416 3.007 -15.044 1.00 9.18 N ATOM 1454 CA ALA A 183 -1.499 3.097 -16.012 1.00 9.01 C ATOM 1455 C ALA A 183 -2.782 3.543 -15.378 1.00 8.22 C ATOM 1456 O ALA A 183 -2.901 3.403 -14.172 1.00 10.81 O ATOM 1457 CB ALA A 183 -1.676 1.740 -16.743 1.00 10.38 C ATOM 1458 H ALA A 183 -0.596 2.590 -14.108 1.00 0.00 H ATOM 1459 N GLU A 184 -3.739 4.044 -16.108 1.00 9.40 N ATOM 1460 CA GLU A 184 -4.997 4.485 -15.529 1.00 9.83 C ATOM 1461 C GLU A 184 -5.664 3.295 -14.862 1.00 10.81 C ATOM 1462 O GLU A 184 -5.516 2.109 -15.258 1.00 13.49 O ATOM 1463 CB GLU A 184 -5.984 4.998 -16.579 1.00 13.21 C ATOM 1464 CG GLU A 184 -5.523 6.170 -17.427 1.00 16.13 C ATOM 1465 CD GLU A 184 -6.699 6.682 -18.327 1.00 24.70 C ATOM 1466 OE1 GLU A 184 -7.840 5.925 -18.490 1.00 18.62 O ATOM 1467 OE2 GLU A 184 -6.474 7.825 -18.904 1.00 29.20 O ATOM 1468 H GLU A 184 -3.598 4.131 -17.135 1.00 0.00 H ATOM 1469 N SER A 185 -6.400 3.664 -13.767 1.00 13.99 N ATOM 1470 CA SER A 185 -7.105 2.734 -12.959 1.00 14.54 C ATOM 1471 C SER A 185 -8.622 3.140 -12.792 1.00 15.52 C ATOM 1472 O SER A 185 -9.160 2.822 -11.705 1.00 14.35 O ATOM 1473 CB SER A 185 -6.464 2.704 -11.624 1.00 15.45 C ATOM 1474 OG SER A 185 -6.482 4.054 -11.151 1.00 15.63 O ATOM 1475 HG SER A 185 -7.419 4.370 -11.093 1.00 0.00 H ATOM 1476 H SER A 185 -6.444 4.672 -13.516 1.00 0.00 H ATOM 1477 N ASN A 186 -9.296 3.699 -13.831 1.00 13.43 N ATOM 1478 CA ASN A 186 -10.720 4.004 -13.916 1.00 17.76 C ATOM 1479 C ASN A 186 -11.684 2.842 -14.394 1.00 11.74 C ATOM 1480 CB ASN A 186 -10.930 5.360 -14.675 1.00 21.15 C ATOM 1481 CG ASN A 186 -12.283 5.999 -14.395 1.00 25.95 C ATOM 1482 OD1 ASN A 186 -12.691 6.913 -15.104 1.00 36.72 O ATOM 1483 ND2 ASN A 186 -12.998 5.481 -13.462 1.00 24.41 N ATOM 1484 HD22 ASN A 186 -12.615 4.707 -12.882 1.00 0.00 H ATOM 1485 HD21 ASN A 186 -13.960 5.836 -13.286 1.00 0.00 H ATOM 1486 H ASN A 186 -8.727 3.939 -14.668 1.00 0.00 H ATOM 1487 N ARG A 187 -11.773 2.169 -13.157 1.00 14.43 N ATOM 1488 CA ARG A 187 -12.521 0.954 -12.854 1.00 14.06 C ATOM 1489 C ARG A 187 -11.817 -0.227 -13.512 1.00 19.15 C ATOM 1490 O ARG A 187 -11.598 -1.272 -12.873 1.00 21.45 O ATOM 1491 CB ARG A 187 -13.941 1.127 -13.316 1.00 17.51 C ATOM 1492 CG ARG A 187 -14.625 2.208 -12.501 1.00 22.26 C ATOM 1493 CD ARG A 187 -16.019 1.736 -12.310 1.00 30.25 C ATOM 1494 NE ARG A 187 -16.085 0.870 -11.161 1.00 32.09 N ATOM 1495 CZ ARG A 187 -16.251 1.290 -9.906 1.00 39.97 C ATOM 1496 NH1 ARG A 187 -16.255 0.383 -8.931 1.00 38.44 N ATOM 1497 NH2 ARG A 187 -16.365 2.592 -9.613 1.00 45.22 N ATOM 1498 HE ARG A 187 -15.997 -0.154 -11.321 1.00 0.00 H ATOM 1499 HH12 ARG A 187 -16.382 0.682 -7.943 1.00 0.00 H ATOM 1500 HH11 ARG A 187 -16.131 -0.624 -9.157 1.00 0.00 H ATOM 1501 HH22 ARG A 187 -16.494 2.894 -8.626 1.00 0.00 H ATOM 1502 HH21 ARG A 187 -16.325 3.301 -10.372 1.00 0.00 H ATOM 1503 H ARG A 187 -11.242 2.589 -12.368 1.00 0.00 H ATOM 1504 N ARG A 188 -11.416 -0.041 -14.788 1.00 13.46 N ATOM 1505 CA ARG A 188 -10.398 -0.966 -15.455 1.00 10.31 C ATOM 1506 C ARG A 188 -9.049 -0.969 -14.815 1.00 11.11 C ATOM 1507 O ARG A 188 -8.435 0.045 -14.585 1.00 13.38 O ATOM 1508 CB ARG A 188 -10.232 -0.594 -16.913 1.00 12.99 C ATOM 1509 CG ARG A 188 -11.528 -0.544 -17.689 1.00 15.48 C ATOM 1510 CD ARG A 188 -11.298 -0.165 -19.155 1.00 15.15 C ATOM 1511 NE ARG A 188 -12.491 -0.424 -19.863 1.00 24.72 N ATOM 1512 CZ ARG A 188 -13.221 0.446 -20.554 1.00 30.04 C ATOM 1513 NH1 ARG A 188 -12.862 1.714 -20.662 1.00 53.49 N ATOM 1514 NH2 ARG A 188 -14.323 0.018 -21.216 1.00 25.74 N ATOM 1515 HE ARG A 188 -12.838 -1.404 -19.842 1.00 0.00 H ATOM 1516 HH12 ARG A 188 -13.449 2.376 -21.208 1.00 0.00 H ATOM 1517 HH11 ARG A 188 -11.992 2.049 -20.201 1.00 0.00 H ATOM 1518 HH22 ARG A 188 -14.899 0.693 -21.759 1.00 0.00 H ATOM 1519 HH21 ARG A 188 -14.593 -0.986 -21.182 1.00 0.00 H ATOM 1520 H ARG A 188 -11.810 0.753 -15.332 1.00 0.00 H ATOM 1521 N ASP A 189 -8.563 -2.145 -14.460 1.00 8.42 N ATOM 1522 CA ASP A 189 -7.286 -2.198 -13.734 1.00 8.48 C ATOM 1523 C ASP A 189 -6.758 -3.625 -13.533 1.00 10.04 C ATOM 1524 O ASP A 189 -7.477 -4.550 -13.734 1.00 11.30 O ATOM 1525 CB ASP A 189 -7.545 -1.663 -12.282 1.00 10.14 C ATOM 1526 CG ASP A 189 -6.285 -1.010 -11.613 1.00 9.55 C ATOM 1527 OD1 ASP A 189 -5.143 -1.006 -12.128 1.00 9.72 O ATOM 1528 OD2 ASP A 189 -6.436 -0.582 -10.364 1.00 11.47 O ATOM 1529 H ASP A 189 -9.076 -3.020 -14.691 1.00 0.00 H ATOM 1530 N SER A 190 -5.473 -3.715 -13.189 1.00 8.61 N ATOM 1531 CA SER A 190 -4.943 -4.932 -12.634 1.00 8.65 C ATOM 1532 C SER A 190 -5.274 -5.051 -11.190 1.00 8.93 C ATOM 1533 O SER A 190 -5.451 -4.016 -10.531 1.00 9.01 O ATOM 1534 CB SER A 190 -3.412 -5.027 -12.852 1.00 8.89 C ATOM 1535 OG SER A 190 -2.709 -3.795 -12.481 1.00 11.13 O ATOM 1536 HG SER A 190 -3.048 -3.045 -13.031 1.00 0.00 H ATOM 1537 H SER A 190 -4.846 -2.896 -13.323 1.00 0.00 H ATOM 1538 N CYS A 191 -5.184 -6.252 -10.680 1.00 8.47 N ATOM 1539 CA CYS A 191 -5.456 -6.437 -9.226 1.00 8.18 C ATOM 1540 C CYS A 191 -4.868 -7.735 -8.670 1.00 9.36 C ATOM 1541 O CYS A 191 -4.001 -8.314 -9.277 1.00 7.50 O ATOM 1542 CB CYS A 191 -7.028 -6.332 -8.978 1.00 9.96 C ATOM 1543 SG CYS A 191 -7.545 -5.949 -7.326 1.00 12.91 S ATOM 1544 H CYS A 191 -4.927 -7.063 -11.278 1.00 0.00 H ATOM 1545 N LYS A 192 -5.231 -8.066 -7.443 1.00 10.43 N ATOM 1546 CA LYS A 192 -4.742 -9.314 -6.872 1.00 9.74 C ATOM 1547 C LYS A 192 -4.722 -10.471 -7.831 1.00 9.00 C ATOM 1548 O LYS A 192 -5.760 -10.822 -8.411 1.00 8.41 O ATOM 1549 CB LYS A 192 -5.574 -9.649 -5.602 1.00 12.26 C ATOM 1550 CG LYS A 192 -4.998 -10.719 -4.754 1.00 14.55 C ATOM 1551 CD LYS A 192 -5.872 -11.043 -3.569 1.00 16.59 C ATOM 1552 CE LYS A 192 -5.133 -12.020 -2.642 1.00 20.66 C ATOM 1553 NZ LYS A 192 -5.965 -12.081 -1.408 1.00 31.70 N ATOM 1554 HZ1 LYS A 192 -6.034 -11.131 -0.990 1.00 0.00 H ATOM 1555 HZ2 LYS A 192 -6.917 -12.424 -1.650 1.00 0.00 H ATOM 1556 HZ3 LYS A 192 -5.524 -12.730 -0.726 1.00 0.00 H ATOM 1557 H LYS A 192 -5.857 -7.444 -6.893 1.00 0.00 H ATOM 1558 N GLY A 193 -3.580 -11.176 -7.892 1.00 6.52 N ATOM 1559 CA GLY A 193 -3.444 -12.362 -8.742 1.00 6.39 C ATOM 1560 C GLY A 193 -2.976 -12.030 -10.159 1.00 7.25 C ATOM 1561 O GLY A 193 -2.653 -12.914 -10.910 1.00 6.96 O ATOM 1562 H GLY A 193 -2.768 -10.871 -7.319 1.00 0.00 H ATOM 1563 N ASP A 194 -2.976 -10.751 -10.506 1.00 5.93 N ATOM 1564 CA ASP A 194 -2.415 -10.343 -11.796 1.00 6.31 C ATOM 1565 C ASP A 194 -0.957 -10.048 -11.685 1.00 6.22 C ATOM 1566 O ASP A 194 -0.265 -9.877 -12.692 1.00 6.33 O ATOM 1567 CB ASP A 194 -3.114 -9.099 -12.284 1.00 6.82 C ATOM 1568 CG ASP A 194 -4.532 -9.373 -12.731 1.00 6.01 C ATOM 1569 OD1 ASP A 194 -4.860 -10.530 -13.261 1.00 8.44 O ATOM 1570 OD2 ASP A 194 -5.406 -8.515 -12.421 1.00 7.60 O ATOM 1571 H ASP A 194 -3.374 -10.037 -9.863 1.00 0.00 H ATOM 1572 N SER A 195 -0.499 -9.895 -10.454 1.00 8.49 N ATOM 1573 CA SER A 195 0.908 -9.749 -10.101 1.00 8.98 C ATOM 1574 C SER A 195 1.797 -10.682 -10.909 1.00 6.65 C ATOM 1575 O SER A 195 1.518 -11.849 -11.045 1.00 6.71 O ATOM 1576 CB SER A 195 1.164 -10.088 -8.649 1.00 10.26 C ATOM 1577 OG SER A 195 0.411 -9.199 -7.970 1.00 15.82 O ATOM 1578 HG SER A 195 0.702 -8.280 -8.196 1.00 0.00 H ATOM 1579 H SER A 195 -1.194 -9.878 -9.680 1.00 0.00 H ATOM 1580 N GLY A 196 2.837 -10.152 -11.495 1.00 6.98 N ATOM 1581 CA GLY A 196 3.767 -10.883 -12.169 1.00 8.72 C ATOM 1582 C GLY A 196 3.508 -10.940 -13.670 1.00 7.64 C ATOM 1583 O GLY A 196 4.348 -11.437 -14.423 1.00 8.03 O ATOM 1584 H GLY A 196 2.961 -9.121 -11.444 1.00 0.00 H ATOM 1585 N GLY A 197 2.286 -10.621 -14.085 1.00 6.14 N ATOM 1586 CA GLY A 197 1.895 -10.687 -15.450 1.00 7.54 C ATOM 1587 C GLY A 197 2.267 -9.493 -16.314 1.00 7.52 C ATOM 1588 O GLY A 197 2.904 -8.581 -15.841 1.00 6.88 O ATOM 1589 H GLY A 197 1.586 -10.310 -13.381 1.00 0.00 H ATOM 1590 N PRO A 198 1.962 -9.586 -17.596 1.00 7.80 N ATOM 1591 CA PRO A 198 2.516 -8.706 -18.602 1.00 7.66 C ATOM 1592 C PRO A 198 1.694 -7.471 -18.884 1.00 8.89 C ATOM 1593 O PRO A 198 0.430 -7.502 -18.819 1.00 8.10 O ATOM 1594 CB PRO A 198 2.435 -9.594 -19.873 1.00 10.55 C ATOM 1595 CG PRO A 198 1.213 -10.359 -19.684 1.00 10.86 C ATOM 1596 CD PRO A 198 1.276 -10.758 -18.203 1.00 9.76 C ATOM 1597 N LEU A 199 2.433 -6.377 -19.150 1.00 8.22 N ATOM 1598 CA LEU A 199 1.914 -5.116 -19.728 1.00 7.06 C ATOM 1599 C LEU A 199 2.642 -4.951 -21.053 1.00 6.53 C ATOM 1600 O LEU A 199 3.867 -4.813 -21.045 1.00 6.00 O ATOM 1601 CB LEU A 199 2.126 -3.926 -18.771 1.00 7.47 C ATOM 1602 CG LEU A 199 1.551 -2.520 -19.171 1.00 10.19 C ATOM 1603 CD1 LEU A 199 0.004 -2.474 -19.261 1.00 12.57 C ATOM 1604 CD2 LEU A 199 2.076 -1.491 -18.164 1.00 11.14 C ATOM 1605 H LEU A 199 3.449 -6.421 -18.932 1.00 0.00 H ATOM 1606 N VAL A 200 1.891 -5.100 -22.096 1.00 5.68 N ATOM 1607 CA VAL A 200 2.381 -5.222 -23.488 1.00 6.20 C ATOM 1608 C VAL A 200 2.020 -4.019 -24.332 1.00 6.69 C ATOM 1609 O VAL A 200 0.860 -3.661 -24.462 1.00 7.12 O ATOM 1610 CB VAL A 200 1.969 -6.585 -24.126 1.00 7.57 C ATOM 1611 CG1 VAL A 200 2.584 -6.818 -25.421 1.00 8.64 C ATOM 1612 CG2 VAL A 200 2.389 -7.688 -23.183 1.00 8.66 C ATOM 1613 H VAL A 200 0.863 -5.137 -21.945 1.00 0.00 H ATOM 1614 N CYS A 201 2.984 -3.457 -25.003 1.00 7.58 N ATOM 1615 CA CYS A 201 2.669 -2.331 -25.988 1.00 9.14 C ATOM 1616 C CYS A 201 3.393 -2.571 -27.280 1.00 9.32 C ATOM 1617 O CYS A 201 4.615 -2.881 -27.232 1.00 11.15 O ATOM 1618 CB CYS A 201 3.223 -1.047 -25.395 1.00 11.84 C ATOM 1619 SG CYS A 201 3.033 -0.748 -23.583 1.00 14.27 S ATOM 1620 H CYS A 201 3.966 -3.773 -24.869 1.00 0.00 H ATOM 1621 N GLY A 202 2.779 -2.373 -28.426 1.00 11.54 N ATOM 1622 CA GLY A 202 3.482 -2.593 -29.694 1.00 13.90 C ATOM 1623 C GLY A 202 4.058 -4.008 -29.812 1.00 12.66 C ATOM 1624 O GLY A 202 5.173 -4.161 -30.434 1.00 14.22 O ATOM 1625 H GLY A 202 1.788 -2.058 -28.433 1.00 0.00 H ATOM 1626 N GLY A 207 3.468 -5.075 -29.118 1.00 10.28 N ATOM 1627 CA GLY A 207 4.008 -6.410 -29.174 1.00 8.91 C ATOM 1628 C GLY A 207 5.291 -6.752 -28.364 1.00 10.99 C ATOM 1629 O GLY A 207 5.904 -7.740 -28.590 1.00 12.57 O ATOM 1630 H GLY A 207 2.617 -4.898 -28.547 1.00 0.00 H ATOM 1631 N VAL A 208 5.581 -5.901 -27.431 1.00 7.76 N ATOM 1632 CA VAL A 208 6.783 -5.969 -26.633 1.00 7.75 C ATOM 1633 C VAL A 208 6.351 -5.812 -25.179 1.00 6.65 C ATOM 1634 O VAL A 208 5.578 -4.896 -24.816 1.00 7.83 O ATOM 1635 CB VAL A 208 7.767 -4.841 -26.951 1.00 8.45 C ATOM 1636 CG1 VAL A 208 8.993 -4.947 -26.083 1.00 10.04 C ATOM 1637 CG2 VAL A 208 8.056 -4.936 -28.449 1.00 6.88 C ATOM 1638 H VAL A 208 4.912 -5.127 -27.247 1.00 0.00 H ATOM 1639 N LEU A 209 6.978 -6.634 -24.325 1.00 6.26 N ATOM 1640 CA LEU A 209 6.766 -6.482 -22.910 1.00 6.34 C ATOM 1641 C LEU A 209 7.405 -5.211 -22.353 1.00 7.63 C ATOM 1642 O LEU A 209 8.635 -4.998 -22.490 1.00 7.70 O ATOM 1643 CB LEU A 209 7.431 -7.662 -22.184 1.00 8.05 C ATOM 1644 CG LEU A 209 7.122 -7.734 -20.736 1.00 8.69 C ATOM 1645 CD1 LEU A 209 5.643 -7.955 -20.456 1.00 8.40 C ATOM 1646 CD2 LEU A 209 8.075 -8.644 -20.008 1.00 11.38 C ATOM 1647 H LEU A 209 7.613 -7.376 -24.683 1.00 0.00 H ATOM 1648 N GLU A 210 6.601 -4.322 -21.841 1.00 6.97 N ATOM 1649 CA GLU A 210 7.056 -3.128 -21.188 1.00 6.94 C ATOM 1650 C GLU A 210 7.004 -3.066 -19.679 1.00 8.98 C ATOM 1651 O GLU A 210 7.853 -2.435 -19.091 1.00 9.83 O ATOM 1652 CB GLU A 210 6.370 -1.882 -21.759 1.00 7.68 C ATOM 1653 CG GLU A 210 6.626 -1.607 -23.319 1.00 8.68 C ATOM 1654 CD GLU A 210 7.924 -0.894 -23.610 1.00 9.83 C ATOM 1655 OE1 GLU A 210 8.607 -0.445 -22.647 1.00 15.55 O ATOM 1656 OE2 GLU A 210 8.177 -0.734 -24.835 1.00 17.13 O ATOM 1657 H GLU A 210 5.576 -4.487 -21.909 1.00 0.00 H ATOM 1658 N GLY A 211 6.048 -3.730 -19.088 1.00 6.05 N ATOM 1659 CA GLY A 211 5.897 -3.718 -17.698 1.00 7.02 C ATOM 1660 C GLY A 211 5.530 -5.101 -17.171 1.00 7.56 C ATOM 1661 O GLY A 211 4.982 -5.898 -17.890 1.00 7.27 O ATOM 1662 H GLY A 211 5.382 -4.282 -19.666 1.00 0.00 H ATOM 1663 N VAL A 212 5.723 -5.292 -15.886 1.00 6.68 N ATOM 1664 CA VAL A 212 5.331 -6.511 -15.123 1.00 7.01 C ATOM 1665 C VAL A 212 4.494 -6.024 -13.924 1.00 7.72 C ATOM 1666 O VAL A 212 4.936 -5.117 -13.158 1.00 8.19 O ATOM 1667 CB VAL A 212 6.562 -7.303 -14.707 1.00 7.54 C ATOM 1668 CG1 VAL A 212 6.082 -8.420 -13.799 1.00 7.60 C ATOM 1669 CG2 VAL A 212 7.299 -7.792 -15.975 1.00 7.31 C ATOM 1670 H VAL A 212 6.189 -4.528 -15.356 1.00 0.00 H ATOM 1671 N VAL A 213 3.275 -6.551 -13.781 1.00 7.04 N ATOM 1672 CA VAL A 213 2.385 -6.088 -12.711 1.00 6.00 C ATOM 1673 C VAL A 213 3.114 -6.279 -11.363 1.00 6.21 C ATOM 1674 O VAL A 213 3.683 -7.322 -11.102 1.00 7.66 O ATOM 1675 CB VAL A 213 1.035 -6.858 -12.780 1.00 5.94 C ATOM 1676 CG1 VAL A 213 0.123 -6.408 -11.691 1.00 8.62 C ATOM 1677 CG2 VAL A 213 0.416 -6.830 -14.138 1.00 7.94 C ATOM 1678 H VAL A 213 2.955 -7.295 -14.433 1.00 0.00 H ATOM 1679 N THR A 214 3.104 -5.257 -10.517 1.00 7.29 N ATOM 1680 CA THR A 214 3.793 -5.408 -9.242 1.00 7.93 C ATOM 1681 C THR A 214 2.911 -6.238 -8.307 1.00 8.22 C ATOM 1682 O THR A 214 1.744 -6.409 -8.568 1.00 6.57 O ATOM 1683 CB THR A 214 3.957 -4.014 -8.610 1.00 7.58 C ATOM 1684 OG1 THR A 214 2.741 -3.311 -8.568 1.00 8.34 O ATOM 1685 CG2 THR A 214 5.021 -3.126 -9.341 1.00 10.54 C ATOM 1686 HG1 THR A 214 2.396 -3.196 -9.489 1.00 0.00 H ATOM 1687 H THR A 214 2.617 -4.370 -10.758 1.00 0.00 H ATOM 1688 N SER A 215 3.522 -6.721 -7.220 1.00 9.00 N ATOM 1689 CA SER A 215 2.956 -7.687 -6.388 1.00 7.98 C ATOM 1690 C SER A 215 2.677 -7.173 -4.968 1.00 11.41 C ATOM 1691 O SER A 215 2.432 -8.006 -4.052 1.00 11.83 O ATOM 1692 CB SER A 215 3.807 -8.987 -6.456 1.00 10.11 C ATOM 1693 OG SER A 215 5.040 -8.854 -5.850 1.00 11.10 O ATOM 1694 HG SER A 215 5.551 -8.135 -6.299 1.00 0.00 H ATOM 1695 H SER A 215 4.467 -6.358 -6.983 1.00 0.00 H ATOM 1696 N GLY A 216 2.672 -5.851 -4.770 1.00 11.02 N ATOM 1697 CA GLY A 216 2.155 -5.263 -3.484 1.00 11.60 C ATOM 1698 C GLY A 216 0.620 -5.142 -3.515 1.00 10.21 C ATOM 1699 O GLY A 216 -0.020 -4.851 -4.592 1.00 10.32 O ATOM 1700 H GLY A 216 3.030 -5.220 -5.515 1.00 0.00 H ATOM 1701 N SER A 217 -0.009 -5.254 -2.353 1.00 10.11 N ATOM 1702 CA SER A 217 -1.432 -4.860 -2.122 1.00 12.55 C ATOM 1703 C SER A 217 -1.633 -3.433 -2.436 1.00 11.24 C ATOM 1704 O SER A 217 -0.779 -2.569 -2.142 1.00 10.66 O ATOM 1705 CB SER A 217 -1.845 -4.913 -0.609 1.00 14.68 C ATOM 1706 OG SER A 217 -1.478 -6.104 -0.226 1.00 19.82 O ATOM 1707 HG SER A 217 -1.952 -6.784 -0.767 1.00 0.00 H ATOM 1708 H SER A 217 0.524 -5.642 -1.548 1.00 0.00 H ATOM 1709 N ARG A 218 -2.801 -3.194 -2.972 1.00 8.22 N ATOM 1710 CA ARG A 218 -3.235 -1.830 -3.355 1.00 10.33 C ATOM 1711 C ARG A 218 -4.722 -1.861 -3.670 1.00 9.17 C ATOM 1712 O ARG A 218 -5.296 -2.881 -4.070 1.00 10.96 O ATOM 1713 CB ARG A 218 -2.449 -1.249 -4.546 1.00 10.07 C ATOM 1714 CG ARG A 218 -2.400 -2.221 -5.697 1.00 11.12 C ATOM 1715 CD ARG A 218 -1.793 -1.626 -7.008 1.00 9.98 C ATOM 1716 NE ARG A 218 -2.625 -0.585 -7.576 1.00 9.67 N ATOM 1717 CZ ARG A 218 -3.626 -0.770 -8.389 1.00 8.52 C ATOM 1718 NH1 ARG A 218 -3.869 -2.000 -8.834 1.00 8.13 N ATOM 1719 NH2 ARG A 218 -4.287 0.246 -8.884 1.00 9.32 N ATOM 1720 HE ARG A 218 -2.404 0.396 -7.312 1.00 0.00 H ATOM 1721 HH12 ARG A 218 -4.663 -2.171 -9.484 1.00 0.00 H ATOM 1722 HH11 ARG A 218 -3.265 -2.791 -8.532 1.00 0.00 H ATOM 1723 HH22 ARG A 218 -5.084 0.082 -9.532 1.00 0.00 H ATOM 1724 HH21 ARG A 218 -4.015 1.217 -8.629 1.00 0.00 H ATOM 1725 H ARG A 218 -3.449 -3.990 -3.136 1.00 0.00 H ATOM 1726 N VAL A 219 -5.362 -0.727 -3.483 1.00 8.94 N ATOM 1727 CA VAL A 219 -6.728 -0.498 -3.933 1.00 8.88 C ATOM 1728 C VAL A 219 -6.735 -0.603 -5.484 1.00 10.11 C ATOM 1729 O VAL A 219 -5.937 0.001 -6.189 1.00 11.74 O ATOM 1730 CB VAL A 219 -7.143 0.898 -3.522 1.00 11.19 C ATOM 1731 CG1 VAL A 219 -8.520 1.186 -4.015 1.00 14.11 C ATOM 1732 CG2 VAL A 219 -7.182 0.980 -1.971 1.00 13.00 C ATOM 1733 H VAL A 219 -4.868 0.044 -2.990 1.00 0.00 H ATOM 1734 N CYS A 220 -7.698 -1.323 -5.980 1.00 11.32 N ATOM 1735 CA CYS A 220 -7.846 -1.516 -7.422 1.00 9.56 C ATOM 1736 C CYS A 220 -9.059 -0.750 -7.945 1.00 9.96 C ATOM 1737 O CYS A 220 -10.113 -0.777 -7.346 1.00 12.98 O ATOM 1738 CB CYS A 220 -8.018 -3.064 -7.761 1.00 11.22 C ATOM 1739 SG CYS A 220 -6.739 -4.083 -7.007 1.00 12.75 S ATOM 1740 H CYS A 220 -8.379 -1.772 -5.335 1.00 0.00 H ATOM 1741 N GLY A 221 -8.988 -0.271 -9.184 1.00 9.92 N ATOM 1742 CA GLY A 221 -10.174 0.300 -9.764 1.00 8.33 C ATOM 1743 C GLY A 221 -10.558 1.726 -9.462 1.00 9.14 C ATOM 1744 O GLY A 221 -11.572 2.199 -9.913 1.00 11.80 O ATOM 1745 H GLY A 221 -8.097 -0.308 -9.720 1.00 0.00 H ATOM 1746 N ASN A 222 -9.752 2.345 -8.682 1.00 11.79 N ATOM 1747 CA ASN A 222 -9.910 3.719 -8.198 1.00 12.20 C ATOM 1748 C ASN A 222 -9.036 4.623 -9.059 1.00 16.18 C ATOM 1749 O ASN A 222 -7.834 4.529 -9.022 1.00 16.10 O ATOM 1750 CB ASN A 222 -9.510 3.885 -6.715 1.00 11.49 C ATOM 1751 CG ASN A 222 -9.847 5.333 -6.145 1.00 14.47 C ATOM 1752 OD1 ASN A 222 -9.650 6.336 -6.831 1.00 19.25 O ATOM 1753 ND2 ASN A 222 -10.210 5.414 -4.884 1.00 18.41 N ATOM 1754 HD22 ASN A 222 -10.369 4.547 -4.332 1.00 0.00 H ATOM 1755 HD21 ASN A 222 -10.339 6.345 -4.439 1.00 0.00 H ATOM 1756 H ASN A 222 -8.909 1.825 -8.364 1.00 0.00 H ATOM 1757 N ARG A 223 -9.679 5.455 -9.852 1.00 19.17 N ATOM 1758 CA ARG A 223 -9.000 6.353 -10.798 1.00 14.49 C ATOM 1759 C ARG A 223 -7.920 7.237 -10.138 1.00 15.76 C ATOM 1760 O ARG A 223 -6.929 7.568 -10.754 1.00 20.45 O ATOM 1761 CB ARG A 223 -10.029 7.171 -11.602 1.00 21.05 C ATOM 1762 CG ARG A 223 -11.241 7.710 -10.837 1.00 31.37 C ATOM 1763 CD ARG A 223 -11.941 8.793 -11.627 1.00 33.73 C ATOM 1764 NE ARG A 223 -10.927 9.847 -11.627 1.00 37.91 N ATOM 1765 CZ ARG A 223 -10.893 10.907 -10.805 1.00 38.33 C ATOM 1766 NH1 ARG A 223 -11.887 11.177 -9.985 1.00 38.40 N ATOM 1767 NH2 ARG A 223 -9.866 11.766 -10.878 1.00 44.58 N ATOM 1768 HE ARG A 223 -10.163 9.768 -12.328 1.00 0.00 H ATOM 1769 HH12 ARG A 223 -11.834 12.006 -9.359 1.00 0.00 H ATOM 1770 HH11 ARG A 223 -12.725 10.562 -9.964 1.00 0.00 H ATOM 1771 HH22 ARG A 223 -9.831 12.590 -10.245 1.00 0.00 H ATOM 1772 HH21 ARG A 223 -9.104 11.608 -11.568 1.00 0.00 H ATOM 1773 H ARG A 223 -10.718 5.478 -9.807 1.00 0.00 H ATOM 1774 N LYS A 223A -8.121 7.618 -8.885 1.00 16.84 N ATOM 1775 CA LYS A 223A -7.066 8.366 -8.168 1.00 19.40 C ATOM 1776 C LYS A 223A -5.831 7.552 -7.792 1.00 15.79 C ATOM 1777 O LYS A 223A -4.863 8.135 -7.360 1.00 20.17 O ATOM 1778 CB LYS A 223A -7.649 9.030 -6.858 1.00 23.75 C ATOM 1779 CG LYS A 223A -8.770 10.078 -7.076 1.00 29.24 C ATOM 1780 CD LYS A 223A -8.312 11.349 -7.782 1.00 38.82 C ATOM 1781 CE LYS A 223A -7.248 12.178 -7.039 1.00 45.77 C ATOM 1782 NZ LYS A 223A -6.039 12.383 -7.918 1.00 48.10 N ATOM 1783 HZ1 LYS A 223A -5.635 11.459 -8.171 1.00 0.00 H ATOM 1784 HZ2 LYS A 223A -6.322 12.888 -8.782 1.00 0.00 H ATOM 1785 HZ3 LYS A 223A -5.329 12.944 -7.404 1.00 0.00 H ATOM 1786 H LYS A 223A -9.017 7.392 -8.408 1.00 0.00 H ATOM 1787 N LYS A 224 -5.863 6.222 -7.930 1.00 15.04 N ATOM 1788 CA LYS A 224 -4.819 5.322 -7.377 1.00 15.10 C ATOM 1789 C LYS A 224 -4.340 4.405 -8.493 1.00 14.09 C ATOM 1790 O LYS A 224 -4.724 3.241 -8.517 1.00 11.94 O ATOM 1791 CB LYS A 224 -5.417 4.530 -6.172 1.00 15.47 C ATOM 1792 CG LYS A 224 -5.635 5.493 -4.985 1.00 16.47 C ATOM 1793 CD LYS A 224 -6.055 4.758 -3.713 1.00 16.48 C ATOM 1794 CE LYS A 224 -6.234 5.784 -2.575 1.00 21.22 C ATOM 1795 NZ LYS A 224 -6.914 5.086 -1.437 1.00 26.57 N ATOM 1796 HZ1 LYS A 224 -7.839 4.730 -1.753 1.00 0.00 H ATOM 1797 HZ2 LYS A 224 -6.325 4.290 -1.118 1.00 0.00 H ATOM 1798 HZ3 LYS A 224 -7.049 5.755 -0.652 1.00 0.00 H ATOM 1799 H LYS A 224 -6.657 5.797 -8.450 1.00 0.00 H ATOM 1800 N PRO A 225 -3.497 4.910 -9.402 1.00 12.52 N ATOM 1801 CA PRO A 225 -3.072 4.172 -10.595 1.00 12.05 C ATOM 1802 C PRO A 225 -2.531 2.722 -10.342 1.00 10.22 C ATOM 1803 O PRO A 225 -1.885 2.380 -9.267 1.00 12.39 O ATOM 1804 CB PRO A 225 -1.922 5.068 -11.171 1.00 14.19 C ATOM 1805 CG PRO A 225 -2.321 6.417 -10.742 1.00 16.29 C ATOM 1806 CD PRO A 225 -2.681 6.149 -9.259 1.00 14.92 C ATOM 1807 N GLY A 226 -2.690 1.902 -11.363 1.00 9.80 N ATOM 1808 CA GLY A 226 -1.929 0.669 -11.404 1.00 9.61 C ATOM 1809 C GLY A 226 -0.436 0.889 -11.532 1.00 9.57 C ATOM 1810 O GLY A 226 -0.008 1.871 -12.191 1.00 10.02 O ATOM 1811 H GLY A 226 -3.353 2.137 -12.129 1.00 0.00 H ATOM 1812 N ILE A 227 0.346 0.020 -10.896 1.00 10.90 N ATOM 1813 CA ILE A 227 1.749 0.116 -10.922 1.00 10.91 C ATOM 1814 C ILE A 227 2.334 -1.129 -11.585 1.00 8.79 C ATOM 1815 O ILE A 227 1.966 -2.318 -11.192 1.00 8.37 O ATOM 1816 CB ILE A 227 2.358 0.239 -9.477 1.00 13.21 C ATOM 1817 CG1 ILE A 227 1.598 1.323 -8.728 1.00 14.56 C ATOM 1818 CG2 ILE A 227 3.898 0.411 -9.512 1.00 13.96 C ATOM 1819 CD1 ILE A 227 2.034 1.664 -7.320 1.00 17.17 C ATOM 1820 H ILE A 227 -0.095 -0.756 -10.362 1.00 0.00 H ATOM 1821 N TYR A 228 3.438 -0.948 -12.339 1.00 8.05 N ATOM 1822 CA TYR A 228 4.054 -2.006 -13.080 1.00 7.60 C ATOM 1823 C TYR A 228 5.542 -1.759 -13.115 1.00 8.14 C ATOM 1824 O TYR A 228 5.997 -0.538 -13.258 1.00 10.11 O ATOM 1825 CB TYR A 228 3.565 -1.986 -14.579 1.00 8.27 C ATOM 1826 CG TYR A 228 2.074 -2.036 -14.713 1.00 8.92 C ATOM 1827 CD1 TYR A 228 1.314 -0.931 -14.540 1.00 8.94 C ATOM 1828 CD2 TYR A 228 1.372 -3.255 -14.838 1.00 9.85 C ATOM 1829 CE1 TYR A 228 -0.138 -0.926 -14.545 1.00 8.88 C ATOM 1830 CE2 TYR A 228 -0.028 -3.234 -14.919 1.00 7.65 C ATOM 1831 CZ TYR A 228 -0.768 -2.122 -14.687 1.00 7.44 C ATOM 1832 OH TYR A 228 -2.150 -2.125 -14.697 1.00 12.21 O ATOM 1833 HH TYR A 228 -2.482 -1.212 -14.505 1.00 0.00 H ATOM 1834 H TYR A 228 3.860 0.002 -12.384 1.00 0.00 H ATOM 1835 N THR A 229 6.348 -2.824 -12.990 1.00 7.45 N ATOM 1836 CA THR A 229 7.807 -2.709 -13.093 1.00 8.66 C ATOM 1837 C THR A 229 8.251 -2.528 -14.477 1.00 8.95 C ATOM 1838 O THR A 229 7.761 -3.212 -15.388 1.00 11.30 O ATOM 1839 CB THR A 229 8.467 -3.951 -12.493 1.00 9.78 C ATOM 1840 OG1 THR A 229 7.985 -4.114 -11.150 1.00 12.35 O ATOM 1841 CG2 THR A 229 9.984 -3.902 -12.553 1.00 9.66 C ATOM 1842 HG1 THR A 229 8.220 -3.313 -10.617 1.00 0.00 H ATOM 1843 H THR A 229 5.926 -3.758 -12.815 1.00 0.00 H ATOM 1844 N ARG A 230 9.035 -1.411 -14.698 1.00 9.42 N ATOM 1845 CA ARG A 230 9.559 -1.155 -16.051 1.00 12.22 C ATOM 1846 C ARG A 230 10.655 -2.098 -16.486 1.00 11.96 C ATOM 1847 O ARG A 230 11.792 -1.949 -16.008 1.00 10.23 O ATOM 1848 CB ARG A 230 10.074 0.269 -16.279 1.00 18.76 C ATOM 1849 CG ARG A 230 9.091 1.278 -16.603 1.00 20.61 C ATOM 1850 CD ARG A 230 9.676 2.675 -16.839 1.00 20.24 C ATOM 1851 NE ARG A 230 10.377 2.794 -18.091 1.00 21.71 N ATOM 1852 CZ ARG A 230 11.706 3.031 -18.234 1.00 20.03 C ATOM 1853 NH1 ARG A 230 12.551 3.114 -17.265 1.00 27.87 N ATOM 1854 NH2 ARG A 230 12.196 3.092 -19.386 1.00 29.59 N ATOM 1855 HE ARG A 230 9.817 2.689 -18.961 1.00 0.00 H ATOM 1856 HH12 ARG A 230 13.555 3.299 -17.465 1.00 0.00 H ATOM 1857 HH11 ARG A 230 12.229 2.996 -16.283 1.00 0.00 H ATOM 1858 HH22 ARG A 230 13.213 3.273 -19.510 1.00 0.00 H ATOM 1859 HH21 ARG A 230 11.586 2.962 -20.218 1.00 0.00 H ATOM 1860 H ARG A 230 9.253 -0.759 -13.918 1.00 0.00 H ATOM 1861 N VAL A 231 10.415 -2.961 -17.468 1.00 12.19 N ATOM 1862 CA VAL A 231 11.339 -4.009 -17.727 1.00 14.15 C ATOM 1863 C VAL A 231 12.656 -3.375 -18.298 1.00 11.55 C ATOM 1864 O VAL A 231 13.730 -3.849 -18.055 1.00 14.07 O ATOM 1865 CB VAL A 231 10.828 -5.201 -18.670 1.00 16.20 C ATOM 1866 CG1 VAL A 231 9.540 -5.851 -18.139 1.00 14.82 C ATOM 1867 CG2 VAL A 231 10.696 -4.813 -20.054 1.00 19.60 C ATOM 1868 H VAL A 231 9.554 -2.870 -18.045 1.00 0.00 H ATOM 1869 N ALA A 232 12.533 -2.306 -19.064 1.00 13.73 N ATOM 1870 CA ALA A 232 13.731 -1.705 -19.683 1.00 14.05 C ATOM 1871 C ALA A 232 14.771 -1.264 -18.635 1.00 11.20 C ATOM 1872 O ALA A 232 15.984 -1.241 -18.894 1.00 15.41 O ATOM 1873 CB ALA A 232 13.358 -0.514 -20.557 1.00 15.16 C ATOM 1874 H ALA A 232 11.595 -1.889 -19.231 1.00 0.00 H ATOM 1875 N SER A 233 14.307 -0.901 -17.460 1.00 10.28 N ATOM 1876 CA SER A 233 15.244 -0.569 -16.321 1.00 10.58 C ATOM 1877 C SER A 233 16.112 -1.716 -15.757 1.00 14.26 C ATOM 1878 O SER A 233 17.091 -1.510 -14.945 1.00 16.81 O ATOM 1879 CB SER A 233 14.393 -0.183 -15.133 1.00 13.87 C ATOM 1880 OG SER A 233 13.826 1.060 -15.318 1.00 19.11 O ATOM 1881 HG SER A 233 13.275 1.291 -14.529 1.00 0.00 H ATOM 1882 H SER A 233 13.279 -0.841 -17.312 1.00 0.00 H ATOM 1883 N TYR A 234 15.740 -2.914 -16.154 1.00 11.47 N ATOM 1884 CA TYR A 234 16.324 -4.175 -15.655 1.00 10.99 C ATOM 1885 C TYR A 234 17.027 -4.999 -16.727 1.00 11.33 C ATOM 1886 O TYR A 234 17.279 -6.219 -16.534 1.00 13.66 O ATOM 1887 CB TYR A 234 15.246 -5.046 -14.957 1.00 11.33 C ATOM 1888 CG TYR A 234 14.790 -4.355 -13.681 1.00 13.19 C ATOM 1889 CD1 TYR A 234 15.540 -4.527 -12.485 1.00 14.25 C ATOM 1890 CD2 TYR A 234 13.749 -3.442 -13.666 1.00 11.82 C ATOM 1891 CE1 TYR A 234 15.229 -3.865 -11.265 1.00 12.21 C ATOM 1892 CE2 TYR A 234 13.431 -2.781 -12.428 1.00 12.36 C ATOM 1893 CZ TYR A 234 14.136 -3.028 -11.298 1.00 12.53 C ATOM 1894 OH TYR A 234 13.674 -2.371 -10.281 1.00 15.88 O ATOM 1895 HH TYR A 234 12.733 -2.632 -10.121 1.00 0.00 H ATOM 1896 H TYR A 234 14.985 -2.977 -16.866 1.00 0.00 H ATOM 1897 N ALA A 235 17.283 -4.367 -17.870 1.00 10.98 N ATOM 1898 CA ALA A 235 17.827 -5.081 -19.063 1.00 10.00 C ATOM 1899 C ALA A 235 19.107 -5.854 -18.745 1.00 11.55 C ATOM 1900 O ALA A 235 19.254 -7.027 -19.067 1.00 11.88 O ATOM 1901 CB ALA A 235 18.033 -4.123 -20.167 1.00 12.83 C ATOM 1902 H ALA A 235 17.099 -3.345 -17.934 1.00 0.00 H ATOM 1903 N ALA A 236 20.025 -5.183 -18.027 1.00 13.38 N ATOM 1904 CA ALA A 236 21.267 -5.858 -17.724 1.00 14.55 C ATOM 1905 C ALA A 236 21.033 -7.105 -16.803 1.00 12.67 C ATOM 1906 O ALA A 236 21.610 -8.188 -17.011 1.00 12.03 O ATOM 1907 CB ALA A 236 22.245 -4.856 -17.099 1.00 15.27 C ATOM 1908 H ALA A 236 19.847 -4.212 -17.701 1.00 0.00 H ATOM 1909 N TRP A 237 20.189 -6.905 -15.728 1.00 12.79 N ATOM 1910 CA TRP A 237 19.903 -7.972 -14.831 1.00 13.19 C ATOM 1911 C TRP A 237 19.300 -9.144 -15.575 1.00 13.49 C ATOM 1912 O TRP A 237 19.765 -10.324 -15.395 1.00 10.77 O ATOM 1913 CB TRP A 237 19.109 -7.532 -13.593 1.00 10.93 C ATOM 1914 CG TRP A 237 18.773 -8.659 -12.761 1.00 13.83 C ATOM 1915 CD1 TRP A 237 19.592 -9.323 -11.935 1.00 15.63 C ATOM 1916 CD2 TRP A 237 17.505 -9.281 -12.657 1.00 13.94 C ATOM 1917 NE1 TRP A 237 18.939 -10.336 -11.335 1.00 18.53 N ATOM 1918 CE2 TRP A 237 17.633 -10.321 -11.738 1.00 13.41 C ATOM 1919 CE3 TRP A 237 16.275 -9.104 -13.298 1.00 10.68 C ATOM 1920 CZ2 TRP A 237 16.553 -11.207 -11.427 1.00 12.65 C ATOM 1921 CZ3 TRP A 237 15.174 -9.947 -12.993 1.00 12.38 C ATOM 1922 CH2 TRP A 237 15.312 -10.946 -12.030 1.00 9.51 C ATOM 1923 HE1 TRP A 237 19.360 -11.019 -10.673 1.00 0.00 H ATOM 1924 H TRP A 237 19.760 -5.970 -15.573 1.00 0.00 H ATOM 1925 N ILE A 238 18.292 -8.887 -16.409 1.00 12.50 N ATOM 1926 CA ILE A 238 17.641 -9.987 -17.142 1.00 11.20 C ATOM 1927 C ILE A 238 18.631 -10.741 -18.033 1.00 8.89 C ATOM 1928 O ILE A 238 18.665 -12.049 -18.075 1.00 10.36 O ATOM 1929 CB ILE A 238 16.430 -9.479 -17.886 1.00 11.15 C ATOM 1930 CG1 ILE A 238 15.343 -8.971 -16.937 1.00 8.83 C ATOM 1931 CG2 ILE A 238 15.868 -10.537 -18.854 1.00 14.55 C ATOM 1932 CD1 ILE A 238 14.243 -8.300 -17.695 1.00 10.56 C ATOM 1933 H ILE A 238 17.965 -7.909 -16.542 1.00 0.00 H ATOM 1934 N ASP A 239 19.357 -9.984 -18.837 1.00 11.25 N ATOM 1935 CA ASP A 239 20.355 -10.580 -19.671 1.00 9.23 C ATOM 1936 C ASP A 239 21.372 -11.491 -18.920 1.00 10.94 C ATOM 1937 O ASP A 239 21.707 -12.590 -19.395 1.00 5.97 O ATOM 1938 CB ASP A 239 21.190 -9.492 -20.442 1.00 11.22 C ATOM 1939 CG ASP A 239 20.497 -8.951 -21.631 1.00 13.78 C ATOM 1940 OD1 ASP A 239 19.484 -9.519 -22.048 1.00 11.74 O ATOM 1941 OD2 ASP A 239 21.008 -7.913 -22.207 1.00 12.78 O ATOM 1942 H ASP A 239 19.203 -8.956 -18.863 1.00 0.00 H ATOM 1943 N SER A 240 21.868 -10.988 -17.798 1.00 11.73 N ATOM 1944 CA SER A 240 22.753 -11.692 -16.918 1.00 13.81 C ATOM 1945 C SER A 240 22.197 -13.094 -16.588 1.00 14.36 C ATOM 1946 O SER A 240 22.855 -14.101 -16.785 1.00 15.62 O ATOM 1947 CB SER A 240 22.856 -10.881 -15.629 1.00 16.57 C ATOM 1948 OG SER A 240 23.985 -11.169 -14.870 1.00 22.65 O ATOM 1949 HG SER A 240 23.984 -10.608 -14.054 1.00 0.00 H ATOM 1950 H SER A 240 21.597 -10.018 -17.539 1.00 0.00 H ATOM 1951 N VAL A 241 20.939 -13.119 -16.131 1.00 11.14 N ATOM 1952 CA VAL A 241 20.365 -14.325 -15.556 1.00 11.23 C ATOM 1953 C VAL A 241 20.170 -15.252 -16.694 1.00 10.28 C ATOM 1954 O VAL A 241 20.438 -16.491 -16.574 1.00 13.04 O ATOM 1955 CB VAL A 241 19.094 -13.976 -14.754 1.00 12.12 C ATOM 1956 CG1 VAL A 241 18.325 -15.252 -14.418 1.00 10.02 C ATOM 1957 CG2 VAL A 241 19.470 -13.270 -13.452 1.00 12.65 C ATOM 1958 H VAL A 241 20.360 -12.257 -16.188 1.00 0.00 H ATOM 1959 N LEU A 242 19.597 -14.712 -17.796 1.00 11.22 N ATOM 1960 CA LEU A 242 19.443 -15.603 -18.947 1.00 12.30 C ATOM 1961 C LEU A 242 20.792 -16.139 -19.529 1.00 14.04 C ATOM 1962 O LEU A 242 20.843 -17.224 -20.082 1.00 19.12 O ATOM 1963 CB LEU A 242 18.714 -14.866 -20.075 1.00 12.54 C ATOM 1964 CG LEU A 242 17.140 -15.097 -20.007 1.00 18.10 C ATOM 1965 CD1 LEU A 242 16.510 -14.848 -18.683 1.00 21.49 C ATOM 1966 CD2 LEU A 242 16.492 -14.206 -21.073 1.00 18.84 C ATOM 1967 H LEU A 242 19.284 -13.721 -17.823 1.00 0.00 H ATOM 1968 N ALA A 243 21.861 -15.391 -19.376 1.00 11.01 N ATOM 1969 CA ALA A 243 23.200 -15.798 -19.724 1.00 11.71 C ATOM 1970 C ALA A 243 23.737 -17.017 -18.939 1.00 16.06 C ATOM 1971 O ALA A 243 24.553 -17.775 -19.479 1.00 19.87 O ATOM 1972 CB ALA A 243 24.171 -14.657 -19.598 1.00 12.45 C ATOM 1973 H ALA A 243 21.733 -14.439 -18.976 1.00 0.00 H ATOM 1974 N SER A 244 23.237 -17.157 -17.719 1.00 17.43 N ATOM 1975 CA SER A 244 23.610 -18.168 -16.791 1.00 19.84 C ATOM 1976 C SER A 244 23.188 -19.599 -17.160 1.00 20.90 C ATOM 1977 O SER A 244 23.731 -20.489 -16.547 1.00 25.03 O ATOM 1978 CB SER A 244 23.120 -17.833 -15.409 1.00 23.41 C ATOM 1979 OG SER A 244 21.789 -18.343 -15.301 1.00 30.54 O ATOM 1980 HG SER A 244 21.217 -17.917 -15.988 1.00 0.00 H ATOM 1981 H SER A 244 22.514 -16.473 -17.417 1.00 0.00 H ATOM 1982 N ALA A 245 22.265 -19.872 -18.104 1.00 19.87 N ATOM 1983 CA ALA A 245 21.965 -21.335 -18.441 1.00 31.67 C ATOM 1984 C ALA A 245 23.233 -22.242 -18.618 1.00 45.59 C ATOM 1985 O ALA A 245 23.273 -23.461 -18.300 1.00 57.02 O ATOM 1986 CB ALA A 245 21.109 -21.452 -19.654 1.00 43.10 C ATOM 1987 H ALA A 245 21.766 -19.103 -18.594 1.00 0.00 H TER 1988 ALA A 245 HETATM 1989 O HOH 1 -14.013 -4.633 -24.635 1.00 18.47 O HETATM 1990 O HOH 2 21.556 -17.207 -10.194 1.00 35.33 O HETATM 1991 O HOH 3 1.683 -29.421 -3.280 1.00 51.46 O HETATM 1992 O HOH 4 -13.840 -28.725 -20.343 1.00 28.72 O HETATM 1993 O HOH 5 -1.784 -11.036 -1.839 1.00 27.06 O HETATM 1994 O HOH 6 17.841 -0.428 -21.170 1.00 67.07 O HETATM 1995 O HOH 7 -9.802 -28.386 -25.216 1.00 26.85 O HETATM 1996 O HOH 8 9.312 -31.710 -13.603 1.00 29.97 O HETATM 1997 O HOH 9 6.520 -9.505 0.501 1.00 25.48 O HETATM 1998 O HOH 10 -14.664 -5.752 -12.583 1.00 28.74 O HETATM 1999 O HOH 11 0.763 -17.645 -31.610 1.00 23.55 O HETATM 2000 O HOH 12 9.232 -29.449 -22.956 1.00 23.95 O HETATM 2001 O HOH 13 13.905 -3.607 -27.201 1.00 12.23 O HETATM 2002 O HOH 14 -3.284 -12.981 -30.803 1.00 32.06 O HETATM 2003 O HOH 15 19.228 -19.244 -20.483 1.00 18.71 O HETATM 2004 O HOH 16 10.696 -5.777 -3.719 1.00 17.06 O HETATM 2005 O HOH 17 1.822 -2.215 -2.196 1.00 21.03 O HETATM 2006 O HOH 18 -5.301 -26.352 -26.273 1.00 17.09 O HETATM 2007 O HOH 19 9.904 1.753 -20.458 1.00 22.85 O HETATM 2008 O HOH 20 -2.329 -26.498 -13.132 1.00 17.09 O HETATM 2009 O HOH 21 13.422 -2.796 -2.309 1.00 28.16 O HETATM 2010 O HOH 22 16.857 -3.202 -1.840 1.00 41.63 O HETATM 2011 O HOH 23 21.246 -13.141 -21.928 1.00 18.68 O HETATM 2012 O HOH 24 9.451 -3.140 -9.189 1.00 9.35 O HETATM 2013 O HOH 25 -6.980 1.885 -7.722 1.00 12.13 O HETATM 2014 O HOH 26 11.613 6.160 -16.693 1.00 39.50 O HETATM 2015 O HOH 27 0.264 12.619 -19.968 1.00 23.34 O HETATM 2016 O HOH 28 11.881 -12.703 -25.304 1.00 13.33 O HETATM 2017 O HOH 29 -8.274 -17.426 -11.267 1.00 9.95 O HETATM 2018 O HOH 30 11.240 -1.307 -10.079 1.00 17.78 O HETATM 2019 O HOH 31 -3.635 0.138 -14.009 1.00 12.16 O HETATM 2020 O HOH 32 15.039 -14.587 -24.671 1.00 15.71 O HETATM 2021 O HOH 33 -5.353 -6.344 -26.490 1.00 25.60 O HETATM 2022 O HOH 34 -3.972 1.684 -5.506 1.00 22.67 O HETATM 2023 O HOH 35 0.090 -26.511 -10.348 1.00 24.03 O HETATM 2024 O HOH 36 18.652 -13.427 -6.172 1.00 20.92 O HETATM 2025 O HOH 37 6.713 -6.468 -10.721 1.00 10.92 O HETATM 2026 O HOH 38 5.364 7.237 -19.828 1.00 25.65 O HETATM 2027 O HOH 39 -1.177 -11.483 -14.869 1.00 6.03 O HETATM 2028 O HOH 40 5.687 -9.596 -30.520 1.00 19.08 O HETATM 2029 O HOH 41 -12.132 -8.712 -16.213 1.00 21.68 O HETATM 2030 O HOH 42 12.172 1.744 -25.309 1.00 29.19 O HETATM 2031 O HOH 43 1.698 -3.242 -6.081 1.00 12.95 O HETATM 2032 O HOH 44 -2.135 13.823 -14.093 1.00 24.04 O HETATM 2033 O HOH 45 4.696 -26.192 -23.655 1.00 13.58 O HETATM 2034 O HOH 46 6.576 -1.031 -27.035 1.00 17.98 O HETATM 2035 O HOH 47 17.326 -22.766 -22.037 1.00 20.80 O HETATM 2036 O HOH 48 2.293 -26.943 -24.916 1.00 12.75 O HETATM 2037 O HOH 49 -2.546 -30.802 -21.816 1.00 21.80 O HETATM 2038 O HOH 50 -5.231 -11.058 -28.543 1.00 55.16 O HETATM 2039 O HOH 51 8.784 -26.700 -9.060 1.00 18.75 O HETATM 2040 O HOH 52 -1.054 -8.864 -22.461 1.00 16.42 O HETATM 2041 O HOH 53 -10.775 -22.226 -12.199 1.00 22.37 O HETATM 2042 O HOH 54 6.373 -31.259 -16.675 1.00 13.84 O HETATM 2043 O HOH 55 -12.641 -20.035 -10.981 1.00 29.69 O HETATM 2044 O HOH 56 4.042 5.829 -16.004 1.00 16.39 O HETATM 2045 O HOH 57 9.568 1.977 -24.492 1.00 26.33 O HETATM 2046 O HOH 58 -4.463 -24.642 -13.399 1.00 17.83 O HETATM 2047 O HOH 59 -12.487 -5.226 -27.023 1.00 23.99 O HETATM 2048 O HOH 60 -9.103 4.178 -0.027 1.00 39.74 O HETATM 2049 O HOH 61 -8.361 -11.590 -14.439 1.00 8.90 O HETATM 2050 O HOH 62 19.265 -4.418 -11.424 1.00 22.05 O HETATM 2051 O HOH 63 -12.027 7.764 -6.723 1.00 31.81 O HETATM 2052 O HOH 64 -11.245 -26.994 -23.264 1.00 24.73 O HETATM 2053 O HOH 65 -4.968 3.221 -0.734 1.00 33.50 O HETATM 2054 O HOH 66 -5.247 -14.304 -25.149 1.00 6.81 O HETATM 2055 O HOH 67 -8.697 1.824 -20.524 1.00 16.24 O HETATM 2056 O HOH 68 -2.498 -13.615 -13.604 1.00 6.82 O HETATM 2057 O HOH 69 9.958 -0.909 -20.099 1.00 15.68 O HETATM 2058 O HOH 70 1.636 -19.869 -22.571 1.00 12.13 O HETATM 2059 O HOH 71 -8.866 6.633 -20.986 1.00 34.04 O HETATM 2060 O HOH 72 -8.493 2.203 -16.353 1.00 23.42 O HETATM 2061 O HOH 73 -5.129 7.499 -24.037 1.00 21.21 O HETATM 2062 O HOH 74 3.372 -25.961 -27.326 1.00 14.21 O HETATM 2063 O HOH 75 11.306 -13.274 -3.535 1.00 21.24 O HETATM 2064 O HOH 76 7.669 0.138 -2.341 1.00 18.31 O HETATM 2065 O HOH 77 -6.546 6.452 -13.512 1.00 21.14 O HETATM 2066 O HOH 78 -0.509 -20.404 -19.627 1.00 7.69 O HETATM 2067 O HOH 79 18.929 -12.139 -22.894 1.00 23.70 O HETATM 2068 O HOH 80 -8.887 3.319 -18.415 1.00 19.38 O HETATM 2069 O HOH 81 3.696 -13.978 0.094 1.00 30.74 O HETATM 2070 O HOH 82 -5.373 -18.123 -23.362 1.00 8.92 O HETATM 2071 O HOH 83 8.491 -30.099 -15.209 1.00 23.09 O HETATM 2072 O HOH 84 18.769 2.119 -23.572 1.00 26.74 O HETATM 2073 O HOH 85 1.539 -25.777 -8.027 1.00 24.67 O HETATM 2074 O HOH 86 -7.870 10.188 -19.640 1.00 33.32 O HETATM 2075 O HOH 87 16.209 -12.083 -23.886 1.00 17.38 O HETATM 2076 O HOH 88 -1.817 -20.105 -24.703 1.00 8.00 O HETATM 2077 O HOH 89 -3.232 -19.261 -4.866 1.00 21.38 O HETATM 2078 O HOH 90 15.859 -20.604 -22.374 1.00 11.29 O HETATM 2079 O HOH 91 -5.152 -28.011 -15.998 1.00 17.98 O HETATM 2080 O HOH 92 -1.950 9.315 -20.117 1.00 24.48 O HETATM 2081 O HOH 93 -3.630 1.384 -2.647 1.00 25.92 O HETATM 2082 O HOH 94 -3.204 -8.220 0.625 1.00 34.99 O HETATM 2083 O HOH 95 13.274 -6.207 -27.750 1.00 24.74 O HETATM 2084 O HOH 96 5.168 -5.815 -0.522 1.00 16.00 O HETATM 2085 O HOH 97 -1.716 -18.566 -22.493 1.00 8.12 O HETATM 2086 O HOH 98 -11.837 0.945 -5.830 1.00 20.86 O HETATM 2087 O HOH 99 9.923 -26.464 -28.606 1.00 22.78 O HETATM 2088 O HOH 100 -8.302 -18.883 -4.571 1.00 28.62 O HETATM 2089 O HOH 101 15.139 -7.868 -25.158 1.00 20.54 O HETATM 2090 O HOH 102 4.804 -14.281 -27.820 1.00 21.71 O HETATM 2091 O HOH 103 -11.493 -17.926 -27.485 1.00 14.37 O HETATM 2092 O HOH 104 -0.853 -2.947 -10.427 1.00 10.83 O HETATM 2093 O HOH 105 -0.974 14.995 -17.703 1.00 25.19 O HETATM 2094 O HOH 106 -14.230 -17.184 -7.329 1.00 17.50 O HETATM 2095 O HOH 107 0.652 -0.100 -27.542 1.00 15.49 O HETATM 2096 O HOH 108 5.859 4.565 -26.940 1.00 27.12 O HETATM 2097 O HOH 109 -13.651 1.724 -23.472 1.00 24.22 O HETATM 2098 O HOH 110 -8.197 -8.885 -27.982 1.00 21.41 O HETATM 2099 O HOH 111 22.265 -19.384 -21.428 1.00 38.13 O HETATM 2100 O HOH 112 2.255 11.133 -25.837 1.00 21.90 O HETATM 2101 O HOH 113 -6.343 -21.877 -9.676 1.00 15.69 O HETATM 2102 O HOH 114 7.304 3.248 -19.852 1.00 23.78 O HETATM 2103 O HOH 115 -9.691 -3.948 -23.209 1.00 18.02 O HETATM 2104 O HOH 116 19.858 -2.289 -17.543 1.00 25.24 O HETATM 2105 O HOH 117 -15.148 -12.181 -18.368 1.00 33.21 O HETATM 2106 O HOH 118 -3.406 -16.528 -24.336 1.00 8.16 O HETATM 2107 O HOH 119 20.704 -12.218 -9.876 1.00 28.91 O HETATM 2108 O HOH 120 -13.818 -20.454 -18.344 1.00 23.27 O HETATM 2109 O HOH 121 15.700 -21.980 -6.636 1.00 23.74 O HETATM 2110 O HOH 122 -5.594 -23.925 -11.048 1.00 22.90 O HETATM 2111 O HOH 123 -0.609 -9.419 -27.257 1.00 19.97 O HETATM 2112 O HOH 124 12.057 8.176 -22.662 1.00 27.73 O HETATM 2113 O HOH 125 1.513 -24.553 -28.890 1.00 7.49 O HETATM 2114 O HOH 126 -14.460 -11.836 -24.821 1.00 37.90 O HETATM 2115 O HOH 127 -14.615 -2.720 -22.403 1.00 28.12 O HETATM 2116 O HOH 128 26.956 -16.362 -18.368 1.00 20.40 O HETATM 2117 O HOH 129 -12.638 -16.467 -25.738 1.00 32.37 O HETATM 2118 O HOH 130 -10.407 -20.775 -10.100 1.00 38.24 O HETATM 2119 O HOH 131 6.404 6.446 -14.518 1.00 21.09 O HETATM 2120 O HOH 132 9.661 -1.251 -28.973 1.00 23.30 O HETATM 2121 O HOH 133 -6.423 -19.488 -7.462 1.00 21.23 O HETATM 2122 O HOH 134 -15.520 -17.025 -12.530 1.00 34.62 O HETATM 2123 O HOH 135 19.501 -4.130 -14.647 1.00 21.30 O HETATM 2124 O HOH 136 -13.306 -0.540 -8.847 1.00 29.63 O HETATM 2125 O HOH 137 -16.438 -4.693 -8.470 1.00 22.67 O HETATM 2126 O HOH 138 -14.125 -17.352 -16.684 1.00 35.32 O HETATM 2127 O HOH 139 13.553 -9.735 -26.249 1.00 25.21 O HETATM 2128 O HOH 140 -7.921 -19.384 -9.630 1.00 18.32 O HETATM 2129 O HOH 141 20.719 -3.832 -23.951 1.00 32.93 O HETATM 2130 O HOH 142 -14.793 -17.916 -15.078 1.00 25.29 O HETATM 2131 O HOH 143 0.093 -8.397 -1.695 1.00 22.22 O HETATM 2132 O HOH 144 -5.362 -30.395 -19.794 1.00 16.09 O HETATM 2133 O HOH 145 -1.738 -2.695 -27.103 1.00 27.30 O HETATM 2134 O HOH 146 14.265 5.165 -9.151 1.00 29.53 O HETATM 2135 O HOH 147 -18.047 -7.269 -6.771 1.00 29.42 O HETATM 2136 O HOH 148 15.504 -9.594 0.899 1.00 35.03 O HETATM 2137 O HOH 149 6.827 9.889 -19.173 1.00 37.83 O HETATM 2138 O HOH 150 17.079 3.170 -11.891 1.00 35.96 O HETATM 2139 O HOH 151 11.330 9.022 -10.334 1.00 38.58 O HETATM 2140 O HOH 152 11.793 10.578 -18.981 1.00 56.60 O HETATM 2141 O HOH 153 -7.784 -22.950 -7.342 1.00 24.06 O HETATM 2142 O HOH 154 24.788 -10.376 -19.458 1.00 19.15 O HETATM 2143 O HOH 155 -6.632 -32.430 -23.818 1.00 38.14 O HETATM 2144 O HOH 156 6.777 -20.835 -2.596 1.00 47.43 O HETATM 2145 O HOH 157 -2.746 -30.676 -19.278 1.00 27.38 O HETATM 2146 O HOH 158 -11.561 3.016 -17.628 1.00 20.24 O HETATM 2147 O HOH 159 -11.453 -0.575 -3.536 1.00 23.09 O HETATM 2148 O HOH 160 -1.514 -28.117 -28.847 1.00 18.83 O HETATM 2149 O HOH 161 14.796 8.480 -22.535 1.00 35.76 O HETATM 2150 O HOH 162 6.459 5.468 -18.191 1.00 26.88 O HETATM 2151 O HOH 163 -13.044 -29.390 -16.127 1.00 20.44 O HETATM 2152 O HOH 164 16.428 2.521 -8.850 1.00 25.53 O HETATM 2153 O HOH 165 1.112 -8.075 -28.937 1.00 36.78 O HETATM 2154 O HOH 166 1.579 -0.815 -4.585 1.00 24.36 O HETATM 2155 O HOH 167 17.633 -18.195 -22.281 1.00 20.77 O HETATM 2156 O HOH 168 -8.479 -10.369 -31.831 1.00 20.88 O HETATM 2157 O HOH 169 2.701 1.540 -28.670 1.00 12.15 O HETATM 2158 O HOH 170 7.353 -16.669 -33.084 1.00 43.12 O HETATM 2159 O HOH 171 -14.862 -30.203 -18.262 1.00 17.82 O HETATM 2160 O HOH 172 0.118 0.698 -4.743 1.00 40.85 O HETATM 2161 O HOH 173 22.728 -10.506 -9.617 1.00 29.02 O HETATM 2162 O HOH 174 12.995 8.269 -7.768 1.00 30.96 O HETATM 2163 O HOH 175 -16.603 -22.616 -19.039 1.00 39.66 O HETATM 2164 O HOH 176 -12.273 10.493 -17.649 1.00 28.67 O HETATM 2165 O HOH 177 -1.243 -6.682 -26.988 1.00 23.81 O HETATM 2166 O HOH 178 -3.683 8.154 -1.875 1.00 40.43 O HETATM 2167 O HOH 179 -2.418 16.262 -15.390 1.00 20.04 O HETATM 2168 O HOH 180 -9.815 -4.543 -26.111 1.00 22.42 O HETATM 2169 O HOH 181 5.057 1.775 -27.391 1.00 22.73 O HETATM 2170 O HOH 182 1.855 -15.163 -31.051 1.00 26.18 O HETATM 2171 O HOH 183 -2.783 11.313 -18.299 1.00 21.49 O HETATM 2172 O HOH 184 17.285 -16.502 -24.180 1.00 23.74 O HETATM 2173 O HOH 185 -11.091 1.499 -1.586 1.00 21.00 O HETATM 2174 O HOH 186 5.867 3.950 -4.405 1.00 33.36 O HETATM 2175 O HOH 187 -13.768 -33.174 -21.865 1.00 20.92 O HETATM 2176 C4 UNN A 188 2.042 -12.462 -4.123 1.00 -0.03 C HETATM 2177 C5 UNN A 188 1.256 -11.224 -3.795 1.00 0.04 C HETATM 2178 N1 UNN A 188 0.120 -11.324 -4.707 1.00 -0.23 N HETATM 2179 C6 UNN A 188 -0.638 -10.336 -5.242 1.00 0.28 C HETATM 2180 N2 UNN A 188 -0.393 -9.103 -4.929 1.00 -0.24 N HETATM 2181 C7 UNN A 188 -1.175 -8.009 -5.344 1.00 0.06 C HETATM 2182 C11 UNN A 188 -2.371 -7.544 -4.765 1.00 0.00 C HETATM 2183 C10 UNN A 188 -2.871 -6.488 -5.541 1.00 0.09 C HETATM 2184 N3 UNN A 188 -1.958 -6.274 -6.540 1.00 -0.18 N HETATM 2185 C8 UNN A 188 -0.932 -7.219 -6.367 1.00 0.06 C HETATM 2186 H6 UNN A 188 -0.048 -7.288 -7.000 1.00 0.07 H HETATM 2187 C9 UNN A 188 -2.032 -5.249 -7.558 1.00 0.32 C HETATM 2188 N4 UNN A 188 -0.911 -5.100 -8.263 1.00 -0.27 N HETATM 2189 H13 UNN A 188 -0.865 -4.415 -8.990 1.00 0.18 H HETATM 2190 H14 UNN A 188 -0.116 -5.673 -8.065 1.00 0.18 H HETATM 2191 O2 UNN A 188 -3.038 -4.633 -7.745 1.00 -0.37 O HETATM 2192 C15 UNN A 188 -4.029 -5.797 -5.223 1.00 -0.04 C HETATM 2193 C14 UNN A 188 -4.691 -6.162 -4.057 1.00 -0.08 C HETATM 2194 C13 UNN A 188 -4.271 -7.251 -3.329 1.00 -0.08 C HETATM 2195 C12 UNN A 188 -3.115 -7.948 -3.653 1.00 -0.08 C HETATM 2196 H7 UNN A 188 -2.795 -8.792 -3.053 1.00 0.05 H HETATM 2197 H8 UNN A 188 -4.860 -7.574 -2.478 1.00 0.05 H HETATM 2198 H3 UNN A 188 -5.544 -5.585 -3.719 1.00 0.05 H HETATM 2199 H15 UNN A 188 -4.404 -5.003 -5.859 1.00 0.05 H HETATM 2200 H9 UNN A 188 0.404 -8.916 -4.355 1.00 0.21 H HETATM 2201 O3 UNN A 188 -1.548 -10.575 -6.032 1.00 -0.39 O HETATM 2202 C2 UNN A 188 -0.133 -12.727 -4.950 1.00 0.14 C HETATM 2203 C3 UNN A 188 1.052 -13.487 -4.423 1.00 -0.01 C HETATM 2204 H10 UNN A 188 0.783 -14.045 -3.514 1.00 0.03 H HETATM 2205 H11 UNN A 188 1.434 -14.186 -5.182 1.00 0.03 H HETATM 2206 C1 UNN A 188 -1.477 -13.234 -4.540 1.00 0.23 C HETATM 2207 O1 UNN A 188 -2.013 -12.765 -3.568 1.00 -0.38 O HETATM 2208 N5 UNN A 188 -2.023 -14.215 -5.277 1.00 -0.23 N HETATM 2209 C16 UNN A 188 -3.244 -14.807 -5.098 1.00 0.06 C HETATM 2210 C17 UNN A 188 -3.648 -15.201 -3.829 1.00 -0.05 C HETATM 2211 C18 UNN A 188 -4.848 -15.898 -3.686 1.00 -0.08 C HETATM 2212 C19 UNN A 188 -5.604 -16.227 -4.800 1.00 -0.05 C HETATM 2213 C20 UNN A 188 -5.145 -15.838 -6.054 1.00 0.09 C HETATM 2214 O4 UNN A 188 -5.863 -16.194 -7.201 1.00 -0.23 O HETATM 2215 C21 UNN A 188 -6.744 -15.304 -7.628 1.00 0.55 C HETATM 2216 F1 UNN A 188 -7.508 -14.915 -6.654 1.00 -0.14 F HETATM 2217 F2 UNN A 188 -7.519 -15.716 -8.589 1.00 -0.14 F HETATM 2218 F3 UNN A 188 -6.137 -14.217 -8.024 1.00 -0.14 F HETATM 2219 C22 UNN A 188 -3.943 -15.173 -6.208 1.00 -0.01 C HETATM 2220 H20 UNN A 188 -3.562 -14.946 -7.197 1.00 0.04 H HETATM 2221 H19 UNN A 188 -6.533 -16.776 -4.696 1.00 0.04 H HETATM 2222 H18 UNN A 188 -5.191 -16.184 -2.698 1.00 0.06 H HETATM 2223 H17 UNN A 188 -3.040 -14.970 -2.962 1.00 0.04 H HETATM 2224 H16 UNN A 188 -1.475 -14.551 -6.043 1.00 0.23 H HETATM 2225 H12 UNN A 188 -0.115 -12.855 -6.042 1.00 0.08 H HETATM 2226 H4 UNN A 188 1.845 -10.315 -3.990 1.00 0.05 H HETATM 2227 H5 UNN A 188 0.926 -11.229 -2.746 1.00 0.05 H HETATM 2228 H1 UNN A 188 2.659 -12.764 -3.264 1.00 0.03 H HETATM 2229 H2 UNN A 188 2.689 -12.286 -4.995 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 390 391 394 395 396 CONECT 394 390 CONECT 395 390 CONECT 396 390 CONECT 1089 1088 1619 CONECT 1376 1375 1451 CONECT 1390 1391 1398 1399 1400 CONECT 1398 1390 CONECT 1399 1390 CONECT 1400 1390 CONECT 1451 1376 1450 CONECT 1543 1542 1739 CONECT 1619 1089 1618 CONECT 1739 1543 1738 CONECT 2176 2177 2203 2228 2229 CONECT 2177 2176 2178 2226 2227 CONECT 2178 2177 2179 2202 CONECT 2179 2178 2180 2201 CONECT 2180 2179 2181 2200 CONECT 2181 2180 2182 2185 CONECT 2182 2181 2183 2195 CONECT 2183 2182 2184 2192 CONECT 2184 2183 2185 2187 CONECT 2185 2181 2184 2186 CONECT 2186 2185 CONECT 2187 2184 2188 2191 CONECT 2188 2187 2189 2190 CONECT 2189 2188 CONECT 2190 2188 CONECT 2191 2187 CONECT 2192 2183 2193 2199 CONECT 2193 2192 2194 2198 CONECT 2194 2193 2195 2197 CONECT 2195 2182 2194 2196 CONECT 2196 2195 CONECT 2197 2194 CONECT 2198 2193 CONECT 2199 2192 CONECT 2200 2180 CONECT 2201 2179 CONECT 2202 2178 2203 2206 2225 CONECT 2203 2176 2202 2204 2205 CONECT 2204 2203 CONECT 2205 2203 CONECT 2206 2202 2207 2208 CONECT 2207 2206 CONECT 2208 2206 2209 2224 CONECT 2209 2208 2210 2219 CONECT 2210 2209 2211 2223 CONECT 2211 2210 2212 2222 CONECT 2212 2211 2213 2221 CONECT 2213 2212 2214 2219 CONECT 2214 2213 2215 CONECT 2215 2214 2216 2217 2218 CONECT 2216 2215 CONECT 2217 2215 CONECT 2218 2215 CONECT 2219 2209 2213 2220 CONECT 2220 2219 CONECT 2221 2212 CONECT 2222 2211 CONECT 2223 2210 CONECT 2224 2208 CONECT 2225 2202 CONECT 2226 2177 CONECT 2227 2177 CONECT 2228 2176 CONECT 2229 2176 MASTER 0 0 0 0 0 0 0 0 2226 3 74 19 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5nar
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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5fbi
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5mt4
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232aa, >5MT4_1|Chain... at 99%
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232aa, >5NAW_1|Chain... at 99%
5nb6
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230aa, >5NB7_1|Chain... at 100%
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6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
RCSB PDB
PDBbind
232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmt
RCSB PDB
PDBbind
254aa, >6QMT_1|Chains... at 100%
6qmr
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PDBbind
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5nat
RCSB PDB
PDBbind
232aa, >5NAT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nar
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8RW
EC.Number
E.C.3.4.21.46
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=0.50uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
2
H
2
0
F
3
N
5
O
4
Molecular Weight
475.421
Exact Mass
475.147
No. of atoms
54
No. of bonds
57
Polar Surface Area
118.69
LOGP Value
3.10 (
Computed with XLOGP3
)
4.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=C([C@@H]1CCCN1C(=O)Nc1cn(c2c1cccc2)C(=O)N)Nc1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-6-3-5-13(11-14)27-19(31)18-9-4-10-29(18)21(33)28-16-12-30(20(26)32)17-8-2-1-7-15(16)17/h1-3,5-8,11-12,18H,4,9-10H2,(H2,26,32)(H,27,31)(H,28,33)/t18-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
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