Browse entries in the PDBbind-CN Database
HEADER 6O0P_COMPLEX COMPND 6O0P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 27 TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS TYR SEQRES 2 A 27 LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA GLY ASP SEQRES 3 A 27 ASP SEQRES 1 A 114 SER GLU VAL VAL HIS LEU THR LEU ARG GLN ALA ALA ASP SEQRES 2 A 114 ASP PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SEQRES 3 A 114 SER SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY SEQRES 4 A 114 ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY SEQRES 5 A 114 VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY SEQRES 6 A 114 GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER SEQRES 7 A 114 PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR SEQRES 8 A 114 LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY SEQRES 9 A 114 GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY HET LBM A 178 112 ATOM 1 N TYR A 9 1.603 7.257 4.636 1.00 74.30 N ATOM 2 CA TYR A 9 1.689 6.123 3.722 1.00 68.40 C ATOM 3 C TYR A 9 2.571 6.462 2.524 1.00 59.38 C ATOM 4 O TYR A 9 2.977 7.610 2.346 1.00 64.72 O ATOM 5 CB TYR A 9 0.293 5.693 3.266 1.00 69.75 C ATOM 6 CG TYR A 9 -0.559 5.166 4.399 1.00 74.46 C ATOM 7 CD1 TYR A 9 -0.358 3.888 4.905 1.00 73.01 C ATOM 8 CD2 TYR A 9 -1.554 5.949 4.971 1.00 77.40 C ATOM 9 CE1 TYR A 9 -1.125 3.403 5.946 1.00 77.03 C ATOM 10 CE2 TYR A 9 -2.328 5.471 6.012 1.00 79.17 C ATOM 11 CZ TYR A 9 -2.109 4.197 6.495 1.00 78.80 C ATOM 12 OH TYR A 9 -2.875 3.714 7.530 1.00 83.09 O ATOM 13 HH TYR A 9 -2.587 2.793 7.750 1.00 0.00 H ATOM 14 HN3 TYR A 9 1.194 8.073 4.137 1.00 0.00 H ATOM 15 HN2 TYR A 9 2.555 7.499 4.977 1.00 0.00 H ATOM 16 HN1 TYR A 9 0.998 7.005 5.444 1.00 0.00 H ATOM 17 N ASP A 10 2.862 5.457 1.703 1.00 40.38 N ATOM 18 CA ASP A 10 3.856 5.568 0.640 1.00 34.39 C ATOM 19 C ASP A 10 3.196 5.276 -0.703 1.00 27.01 C ATOM 20 O ASP A 10 2.915 4.115 -1.015 1.00 25.41 O ATOM 21 CB ASP A 10 5.014 4.609 0.909 1.00 34.57 C ATOM 22 CG ASP A 10 6.211 4.887 0.041 1.00 43.69 C ATOM 23 OD1 ASP A 10 6.057 4.914 -1.198 1.00 36.40 O ATOM 24 OD2 ASP A 10 7.308 5.087 0.607 1.00 39.94 O ATOM 25 H ASP A 10 2.360 4.554 1.823 1.00 0.00 H ATOM 26 N ASN A 11 2.982 6.325 -1.509 1.00 27.35 N ATOM 27 CA ASN A 11 2.294 6.156 -2.791 1.00 25.82 C ATOM 28 C ASN A 11 3.068 5.251 -3.736 1.00 24.66 C ATOM 29 O ASN A 11 2.468 4.512 -4.524 1.00 22.86 O ATOM 30 CB ASN A 11 2.063 7.512 -3.458 1.00 30.58 C ATOM 31 CG ASN A 11 0.990 8.323 -2.770 1.00 29.04 C ATOM 32 OD1 ASN A 11 0.042 7.767 -2.217 1.00 28.35 O ATOM 33 ND2 ASN A 11 1.130 9.644 -2.801 1.00 31.70 N ATOM 34 HD22 ASN A 11 1.949 10.069 -3.281 1.00 0.00 H ATOM 35 HD21 ASN A 11 0.421 10.253 -2.345 1.00 0.00 H ATOM 36 H ASN A 11 3.308 7.270 -1.221 1.00 0.00 H ATOM 37 N ARG A 12 4.398 5.305 -3.688 1.00 25.56 N ATOM 38 CA ARG A 12 5.186 4.433 -4.548 1.00 24.88 C ATOM 39 C ARG A 12 4.993 2.972 -4.169 1.00 28.20 C ATOM 40 O ARG A 12 4.852 2.113 -5.046 1.00 23.29 O ATOM 41 CB ARG A 12 6.661 4.814 -4.470 1.00 27.22 C ATOM 42 CG ARG A 12 7.543 3.933 -5.330 1.00 27.23 C ATOM 43 CD ARG A 12 8.993 4.355 -5.237 1.00 33.30 C ATOM 44 NE ARG A 12 9.851 3.529 -6.085 1.00 35.66 N ATOM 45 CZ ARG A 12 11.167 3.691 -6.188 1.00 34.18 C ATOM 46 NH1 ARG A 12 11.775 4.646 -5.497 1.00 37.00 N ATOM 47 NH2 ARG A 12 11.873 2.899 -6.980 1.00 35.04 N ATOM 48 HE ARG A 12 9.406 2.770 -6.640 1.00 0.00 H ATOM 49 HH12 ARG A 12 12.804 4.772 -5.578 1.00 0.00 H ATOM 50 HH11 ARG A 12 11.223 5.269 -4.874 1.00 0.00 H ATOM 51 HH22 ARG A 12 12.902 3.027 -7.060 1.00 0.00 H ATOM 52 HH21 ARG A 12 11.399 2.149 -7.522 1.00 0.00 H ATOM 53 H ARG A 12 4.871 5.966 -3.040 1.00 0.00 H ATOM 54 N GLU A 13 4.986 2.671 -2.868 1.00 24.24 N ATOM 55 CA GLU A 13 4.779 1.296 -2.432 1.00 23.80 C ATOM 56 C GLU A 13 3.384 0.811 -2.796 1.00 22.05 C ATOM 57 O GLU A 13 3.213 -0.329 -3.241 1.00 22.74 O ATOM 58 CB GLU A 13 5.004 1.180 -0.928 1.00 32.08 C ATOM 59 CG GLU A 13 4.871 -0.237 -0.398 1.00 46.47 C ATOM 60 CD GLU A 13 4.800 -0.292 1.115 1.00 62.66 C ATOM 61 OE1 GLU A 13 4.464 0.739 1.737 1.00 69.09 O ATOM 62 OE2 GLU A 13 5.081 -1.368 1.684 1.00 69.69 O ATOM 63 H GLU A 13 5.129 3.422 -2.162 1.00 0.00 H ATOM 64 N ILE A 14 2.375 1.667 -2.614 1.00 24.53 N ATOM 65 CA ILE A 14 1.007 1.277 -2.944 1.00 21.00 C ATOM 66 C ILE A 14 0.902 0.914 -4.421 1.00 24.40 C ATOM 67 O ILE A 14 0.308 -0.111 -4.784 1.00 24.27 O ATOM 68 CB ILE A 14 0.031 2.403 -2.554 1.00 21.87 C ATOM 69 CG1 ILE A 14 -0.004 2.557 -1.033 1.00 28.79 C ATOM 70 CG2 ILE A 14 -1.366 2.114 -3.093 1.00 21.55 C ATOM 71 CD1 ILE A 14 -0.699 3.816 -0.549 1.00 25.05 C ATOM 72 H ILE A 14 2.565 2.617 -2.235 1.00 0.00 H ATOM 73 N VAL A 15 1.500 1.730 -5.294 1.00 22.84 N ATOM 74 CA VAL A 15 1.461 1.455 -6.730 1.00 22.72 C ATOM 75 C VAL A 15 2.226 0.175 -7.048 1.00 24.28 C ATOM 76 O VAL A 15 1.742 -0.689 -7.792 1.00 22.17 O ATOM 77 CB VAL A 15 2.020 2.654 -7.520 1.00 19.97 C ATOM 78 CG1 VAL A 15 2.319 2.258 -8.966 1.00 23.30 C ATOM 79 CG2 VAL A 15 1.046 3.820 -7.484 1.00 21.51 C ATOM 80 H VAL A 15 2.001 2.573 -4.947 1.00 0.00 H ATOM 81 N MET A 16 3.434 0.041 -6.490 1.00 19.52 N ATOM 82 CA MET A 16 4.272 -1.126 -6.757 1.00 19.49 C ATOM 83 C MET A 16 3.572 -2.418 -6.351 1.00 30.52 C ATOM 84 O MET A 16 3.519 -3.382 -7.126 1.00 26.28 O ATOM 85 CB MET A 16 5.604 -0.976 -6.018 1.00 23.66 C ATOM 86 CG MET A 16 6.556 -2.144 -6.169 1.00 41.11 C ATOM 87 SD MET A 16 7.966 -1.999 -5.050 1.00 51.88 S ATOM 88 CE MET A 16 7.195 -2.420 -3.487 1.00 53.99 C ATOM 89 H MET A 16 3.785 0.784 -5.852 1.00 0.00 H ATOM 90 N LYS A 17 3.024 -2.457 -5.136 1.00 24.77 N ATOM 91 CA LYS A 17 2.386 -3.680 -4.661 1.00 25.45 C ATOM 92 C LYS A 17 1.114 -3.993 -5.436 1.00 25.03 C ATOM 93 O LYS A 17 0.793 -5.168 -5.639 1.00 27.97 O ATOM 94 CB LYS A 17 2.088 -3.576 -3.166 1.00 22.94 C ATOM 95 CG LYS A 17 3.307 -3.821 -2.286 1.00 35.48 C ATOM 96 CD LYS A 17 2.938 -3.743 -0.817 1.00 49.55 C ATOM 97 CE LYS A 17 3.909 -4.520 0.059 1.00 65.92 C ATOM 98 NZ LYS A 17 5.244 -3.872 0.150 1.00 73.38 N ATOM 99 HZ1 LYS A 17 5.659 -3.801 -0.801 1.00 0.00 H ATOM 100 HZ2 LYS A 17 5.139 -2.920 0.556 1.00 0.00 H ATOM 101 HZ3 LYS A 17 5.865 -4.443 0.758 1.00 0.00 H ATOM 102 H LYS A 17 3.051 -1.615 -4.526 1.00 0.00 H ATOM 103 N TYR A 18 0.378 -2.969 -5.875 1.00 22.35 N ATOM 104 CA TYR A 18 -0.831 -3.230 -6.650 1.00 20.26 C ATOM 105 C TYR A 18 -0.493 -3.806 -8.021 1.00 26.46 C ATOM 106 O TYR A 18 -1.064 -4.823 -8.433 1.00 25.26 O ATOM 107 CB TYR A 18 -1.667 -1.960 -6.803 1.00 24.26 C ATOM 108 CG TYR A 18 -2.787 -2.160 -7.793 1.00 25.81 C ATOM 109 CD1 TYR A 18 -3.964 -2.789 -7.417 1.00 31.81 C ATOM 110 CD2 TYR A 18 -2.647 -1.767 -9.117 1.00 25.26 C ATOM 111 CE1 TYR A 18 -4.980 -3.000 -8.328 1.00 32.08 C ATOM 112 CE2 TYR A 18 -3.651 -1.977 -10.031 1.00 31.74 C ATOM 113 CZ TYR A 18 -4.817 -2.586 -9.632 1.00 34.06 C ATOM 114 OH TYR A 18 -5.819 -2.793 -10.549 1.00 40.06 O ATOM 115 HH TYR A 18 -6.584 -3.238 -10.105 1.00 0.00 H ATOM 116 H TYR A 18 0.664 -1.991 -5.666 1.00 0.00 H ATOM 117 N ILE A 19 0.436 -3.171 -8.740 1.00 27.97 N ATOM 118 CA ILE A 19 0.773 -3.630 -10.085 1.00 26.60 C ATOM 119 C ILE A 19 1.405 -5.016 -10.038 1.00 26.92 C ATOM 120 O ILE A 19 1.143 -5.861 -10.905 1.00 24.71 O ATOM 121 CB ILE A 19 1.687 -2.607 -10.786 1.00 26.98 C ATOM 122 CG1 ILE A 19 0.920 -1.306 -11.047 1.00 23.62 C ATOM 123 CG2 ILE A 19 2.242 -3.175 -12.088 1.00 24.12 C ATOM 124 CD1 ILE A 19 -0.353 -1.495 -11.856 1.00 24.93 C ATOM 125 H ILE A 19 0.923 -2.344 -8.339 1.00 0.00 H ATOM 126 N HIS A 20 2.235 -5.279 -9.023 1.00 19.75 N ATOM 127 CA HIS A 20 2.822 -6.605 -8.876 1.00 23.70 C ATOM 128 C HIS A 20 1.750 -7.657 -8.624 1.00 29.46 C ATOM 129 O HIS A 20 1.798 -8.751 -9.197 1.00 25.63 O ATOM 130 CB HIS A 20 3.849 -6.605 -7.745 1.00 28.50 C ATOM 131 CG HIS A 20 4.304 -7.973 -7.343 1.00 37.81 C ATOM 132 ND1 HIS A 20 5.158 -8.731 -8.116 1.00 40.74 N ATOM 133 CD2 HIS A 20 4.018 -8.722 -6.252 1.00 41.20 C ATOM 134 CE1 HIS A 20 5.383 -9.886 -7.515 1.00 43.97 C ATOM 135 NE2 HIS A 20 4.703 -9.906 -6.383 1.00 45.62 N ATOM 136 H HIS A 20 2.463 -4.533 -8.335 1.00 0.00 H ATOM 137 N TYR A 21 0.765 -7.341 -7.777 1.00 20.66 N ATOM 138 CA TYR A 21 -0.318 -8.284 -7.514 1.00 26.27 C ATOM 139 C TYR A 21 -1.116 -8.571 -8.777 1.00 22.52 C ATOM 140 O TYR A 21 -1.365 -9.735 -9.117 1.00 30.47 O ATOM 141 CB TYR A 21 -1.239 -7.738 -6.422 1.00 30.54 C ATOM 142 CG TYR A 21 -2.582 -8.443 -6.335 1.00 30.66 C ATOM 143 CD1 TYR A 21 -2.709 -9.662 -5.678 1.00 30.01 C ATOM 144 CD2 TYR A 21 -3.723 -7.884 -6.901 1.00 31.89 C ATOM 145 CE1 TYR A 21 -3.934 -10.307 -5.591 1.00 39.71 C ATOM 146 CE2 TYR A 21 -4.953 -8.522 -6.817 1.00 31.13 C ATOM 147 CZ TYR A 21 -5.051 -9.731 -6.162 1.00 39.23 C ATOM 148 OH TYR A 21 -6.271 -10.366 -6.077 1.00 45.74 O ATOM 149 HH TYR A 21 -6.914 -9.781 -5.603 1.00 0.00 H ATOM 150 H TYR A 21 0.770 -6.416 -7.302 1.00 0.00 H ATOM 151 N LYS A 22 -1.540 -7.516 -9.480 1.00 29.24 N ATOM 152 CA LYS A 22 -2.379 -7.700 -10.659 1.00 29.24 C ATOM 153 C LYS A 22 -1.649 -8.476 -11.744 1.00 34.35 C ATOM 154 O LYS A 22 -2.227 -9.372 -12.371 1.00 27.94 O ATOM 155 CB LYS A 22 -2.840 -6.349 -11.199 1.00 28.01 C ATOM 156 CG LYS A 22 -3.860 -5.658 -10.327 1.00 41.21 C ATOM 157 CD LYS A 22 -5.167 -6.439 -10.261 1.00 39.08 C ATOM 158 CE LYS A 22 -5.829 -6.534 -11.626 1.00 48.58 C ATOM 159 NZ LYS A 22 -7.213 -7.079 -11.527 1.00 51.24 N ATOM 160 HZ1 LYS A 22 -7.180 -8.031 -11.110 1.00 0.00 H ATOM 161 HZ2 LYS A 22 -7.788 -6.455 -10.925 1.00 0.00 H ATOM 162 HZ3 LYS A 22 -7.633 -7.129 -12.477 1.00 0.00 H ATOM 163 H LYS A 22 -1.270 -6.556 -9.184 1.00 0.00 H ATOM 164 N LEU A 23 -0.376 -8.149 -11.977 1.00 21.64 N ATOM 165 CA LEU A 23 0.367 -8.827 -13.034 1.00 26.73 C ATOM 166 C LEU A 23 0.685 -10.267 -12.652 1.00 24.27 C ATOM 167 O LEU A 23 0.530 -11.177 -13.474 1.00 27.33 O ATOM 168 CB LEU A 23 1.647 -8.055 -13.359 1.00 20.89 C ATOM 169 CG LEU A 23 1.472 -6.781 -14.189 1.00 27.90 C ATOM 170 CD1 LEU A 23 2.809 -6.110 -14.448 1.00 20.52 C ATOM 171 CD2 LEU A 23 0.784 -7.093 -15.499 1.00 33.20 C ATOM 172 H LEU A 23 0.085 -7.412 -11.406 1.00 0.00 H ATOM 173 N SER A 24 1.124 -10.496 -11.409 1.00 26.21 N ATOM 174 CA SER A 24 1.486 -11.849 -10.990 1.00 31.24 C ATOM 175 C SER A 24 0.274 -12.768 -10.999 1.00 30.80 C ATOM 176 O SER A 24 0.379 -13.946 -11.363 1.00 35.71 O ATOM 177 CB SER A 24 2.115 -11.822 -9.597 1.00 37.41 C ATOM 178 OG SER A 24 3.121 -10.831 -9.509 1.00 54.58 O ATOM 179 HG SER A 24 2.725 -9.943 -9.695 1.00 0.00 H ATOM 180 H SER A 24 1.208 -9.707 -10.737 1.00 0.00 H ATOM 181 N GLN A 25 -0.885 -12.244 -10.598 1.00 34.66 N ATOM 182 CA GLN A 25 -2.110 -13.037 -10.585 1.00 31.59 C ATOM 183 C GLN A 25 -2.450 -13.568 -11.973 1.00 34.34 C ATOM 184 O GLN A 25 -3.082 -14.624 -12.100 1.00 39.47 O ATOM 185 CB GLN A 25 -3.244 -12.178 -10.016 1.00 39.06 C ATOM 186 CG GLN A 25 -4.653 -12.532 -10.448 1.00 57.66 C ATOM 187 CD GLN A 25 -5.660 -11.486 -9.996 1.00 67.70 C ATOM 188 OE1 GLN A 25 -5.813 -10.439 -10.628 1.00 72.63 O ATOM 189 NE2 GLN A 25 -6.340 -11.761 -8.890 1.00 62.13 N ATOM 190 HE22 GLN A 25 -6.178 -12.658 -8.389 1.00 0.00 H ATOM 191 HE21 GLN A 25 -7.035 -11.080 -8.524 1.00 0.00 H ATOM 192 H GLN A 25 -0.916 -11.252 -10.289 1.00 0.00 H ATOM 193 N ARG A 26 -2.013 -12.875 -13.025 1.00 33.10 N ATOM 194 CA ARG A 26 -2.343 -13.248 -14.393 1.00 33.17 C ATOM 195 C ARG A 26 -1.142 -13.795 -15.155 1.00 34.19 C ATOM 196 O ARG A 26 -1.182 -13.891 -16.386 1.00 33.58 O ATOM 197 CB ARG A 26 -2.956 -12.051 -15.114 1.00 34.39 C ATOM 198 CG ARG A 26 -4.276 -11.636 -14.487 1.00 40.08 C ATOM 199 CD ARG A 26 -4.715 -10.262 -14.934 1.00 52.56 C ATOM 200 NE ARG A 26 -4.801 -10.168 -16.386 1.00 63.31 N ATOM 201 CZ ARG A 26 -5.795 -10.672 -17.108 1.00 77.67 C ATOM 202 NH1 ARG A 26 -5.788 -10.535 -18.426 1.00 84.79 N ATOM 203 NH2 ARG A 26 -6.792 -11.319 -16.517 1.00 85.14 N ATOM 204 HE ARG A 26 -4.035 -9.675 -16.888 1.00 0.00 H ATOM 205 HH12 ARG A 26 -6.565 -10.929 -18.994 1.00 0.00 H ATOM 206 HH11 ARG A 26 -5.005 -10.034 -18.893 1.00 0.00 H ATOM 207 HH22 ARG A 26 -7.568 -11.712 -17.088 1.00 0.00 H ATOM 208 HH21 ARG A 26 -6.797 -11.433 -15.483 1.00 0.00 H ATOM 209 H ARG A 26 -1.416 -12.039 -12.863 1.00 0.00 H ATOM 210 N GLY A 27 -0.079 -14.167 -14.445 1.00 33.58 N ATOM 211 CA GLY A 27 1.059 -14.815 -15.062 1.00 30.10 C ATOM 212 C GLY A 27 2.045 -13.893 -15.740 1.00 28.63 C ATOM 213 O GLY A 27 2.958 -14.383 -16.416 1.00 30.29 O ATOM 214 H GLY A 27 -0.066 -13.987 -13.421 1.00 0.00 H ATOM 215 N TYR A 28 1.894 -12.580 -15.590 1.00 26.16 N ATOM 216 CA TYR A 28 2.828 -11.629 -16.177 1.00 30.89 C ATOM 217 C TYR A 28 3.964 -11.346 -15.205 1.00 33.29 C ATOM 218 O TYR A 28 3.755 -11.270 -13.991 1.00 36.26 O ATOM 219 CB TYR A 28 2.116 -10.326 -16.549 1.00 23.57 C ATOM 220 CG TYR A 28 1.095 -10.492 -17.649 1.00 29.75 C ATOM 221 CD1 TYR A 28 1.473 -10.450 -18.986 1.00 27.42 C ATOM 222 CD2 TYR A 28 -0.246 -10.699 -17.352 1.00 30.53 C ATOM 223 CE1 TYR A 28 0.538 -10.607 -19.999 1.00 29.04 C ATOM 224 CE2 TYR A 28 -1.185 -10.855 -18.355 1.00 31.82 C ATOM 225 CZ TYR A 28 -0.788 -10.808 -19.675 1.00 30.09 C ATOM 226 OH TYR A 28 -1.723 -10.965 -20.675 1.00 30.83 O ATOM 227 HH TYR A 28 -1.275 -10.905 -21.556 1.00 0.00 H ATOM 228 H TYR A 28 1.088 -12.223 -15.039 1.00 0.00 H ATOM 229 N GLU A 29 5.170 -11.201 -15.745 1.00 39.97 N ATOM 230 CA GLU A 29 6.347 -10.881 -14.952 1.00 43.69 C ATOM 231 C GLU A 29 6.610 -9.384 -15.017 1.00 50.55 C ATOM 232 O GLU A 29 6.561 -8.785 -16.098 1.00 58.17 O ATOM 233 CB GLU A 29 7.573 -11.651 -15.446 1.00 53.64 C ATOM 234 CG GLU A 29 7.649 -13.081 -14.944 1.00 67.75 C ATOM 235 CD GLU A 29 8.770 -13.871 -15.593 1.00 85.99 C ATOM 236 OE1 GLU A 29 9.817 -13.269 -15.913 1.00 90.40 O ATOM 237 OE2 GLU A 29 8.601 -15.093 -15.787 1.00 91.06 O ATOM 238 H GLU A 29 5.276 -11.321 -16.773 1.00 0.00 H ATOM 239 N TRP A 30 6.869 -8.782 -13.858 1.00 37.51 N ATOM 240 CA TRP A 30 7.349 -7.405 -13.765 1.00 26.51 C ATOM 241 C TRP A 30 8.522 -7.427 -12.791 1.00 30.34 C ATOM 242 O TRP A 30 8.324 -7.468 -11.572 1.00 32.10 O ATOM 243 CB TRP A 30 6.260 -6.443 -13.306 1.00 24.10 C ATOM 244 CG TRP A 30 6.750 -5.036 -13.171 1.00 26.52 C ATOM 245 CD1 TRP A 30 7.645 -4.397 -13.983 1.00 29.51 C ATOM 246 CD2 TRP A 30 6.394 -4.098 -12.150 1.00 27.10 C ATOM 247 NE1 TRP A 30 7.856 -3.114 -13.536 1.00 27.73 N ATOM 248 CE2 TRP A 30 7.100 -2.906 -12.412 1.00 27.46 C ATOM 249 CE3 TRP A 30 5.541 -4.148 -11.043 1.00 29.64 C ATOM 250 CZ2 TRP A 30 6.981 -1.774 -11.604 1.00 29.60 C ATOM 251 CZ3 TRP A 30 5.423 -3.022 -10.242 1.00 30.70 C ATOM 252 CH2 TRP A 30 6.139 -1.853 -10.527 1.00 29.93 C ATOM 253 HE1 TRP A 30 8.486 -2.415 -13.979 1.00 0.00 H ATOM 254 H TRP A 30 6.723 -9.317 -12.978 1.00 0.00 H ATOM 255 N ASP A 31 9.737 -7.405 -13.342 1.00 29.36 N ATOM 256 CA ASP A 31 10.935 -7.590 -12.529 1.00 44.83 C ATOM 257 C ASP A 31 11.039 -6.537 -11.431 1.00 41.97 C ATOM 258 O ASP A 31 11.431 -6.846 -10.300 1.00 39.86 O ATOM 259 CB ASP A 31 12.178 -7.557 -13.419 1.00 47.36 C ATOM 260 CG ASP A 31 12.126 -8.587 -14.536 1.00 65.44 C ATOM 261 OD1 ASP A 31 11.681 -9.727 -14.279 1.00 66.56 O ATOM 262 OD2 ASP A 31 12.533 -8.255 -15.672 1.00 68.47 O ATOM 263 H ASP A 31 9.832 -7.254 -14.367 1.00 0.00 H ATOM 264 N ALA A 32 10.684 -5.287 -11.741 1.00 35.66 N ATOM 265 CA ALA A 32 10.869 -4.207 -10.777 1.00 38.51 C ATOM 266 C ALA A 32 9.873 -4.269 -9.625 1.00 40.34 C ATOM 267 O ALA A 32 10.125 -3.673 -8.573 1.00 42.40 O ATOM 268 CB ALA A 32 10.771 -2.852 -11.478 1.00 36.92 C ATOM 269 H ALA A 32 10.274 -5.082 -12.674 1.00 0.00 H ATOM 270 N GLY A 33 8.755 -4.967 -9.792 1.00 38.09 N ATOM 271 CA GLY A 33 7.805 -5.118 -8.713 1.00 38.99 C ATOM 272 C GLY A 33 8.033 -6.316 -7.825 1.00 50.24 C ATOM 273 O GLY A 33 7.266 -6.528 -6.880 1.00 50.13 O ATOM 274 H GLY A 33 8.561 -5.411 -10.712 1.00 0.00 H ATOM 275 N ASP A 34 9.065 -7.111 -8.105 1.00 50.62 N ATOM 276 CA ASP A 34 9.367 -8.279 -7.289 1.00 69.48 C ATOM 277 C ASP A 34 9.583 -7.867 -5.838 1.00 78.57 C ATOM 278 O ASP A 34 10.304 -6.906 -5.551 1.00 78.10 O ATOM 279 CB ASP A 34 10.607 -8.989 -7.838 1.00 83.19 C ATOM 280 CG ASP A 34 10.854 -10.342 -7.186 1.00 99.06 C ATOM 281 OD1 ASP A 34 10.783 -10.446 -5.943 1.00105.06 O ATOM 282 OD2 ASP A 34 11.127 -11.311 -7.927 1.00104.80 O ATOM 283 H ASP A 34 9.668 -6.893 -8.924 1.00 0.00 H ATOM 284 N ASP A 35 8.951 -8.596 -4.925 1.00 84.00 N ATOM 285 CA ASP A 35 9.075 -8.316 -3.501 1.00 85.31 C ATOM 286 C ASP A 35 9.953 -9.360 -2.819 1.00 89.68 C ATOM 287 O ASP A 35 11.168 -9.390 -3.018 1.00 96.12 O ATOM 288 CB ASP A 35 7.695 -8.269 -2.842 1.00 80.95 C ATOM 289 H ASP A 35 8.352 -9.388 -5.235 1.00 0.00 H TER 290 ASP A 35 ATOM 291 N SER A 90 0.507 -1.100 7.655 1.00 88.21 N ATOM 292 CA SER A 90 0.710 -0.552 6.320 1.00 86.34 C ATOM 293 C SER A 90 0.106 -1.463 5.257 1.00 78.00 C ATOM 294 O SER A 90 -0.354 -0.996 4.214 1.00 80.85 O ATOM 295 CB SER A 90 2.202 -0.343 6.045 1.00 92.53 C ATOM 296 OG SER A 90 2.411 0.229 4.764 1.00 91.62 O ATOM 297 HG SER A 90 2.042 -0.374 4.071 1.00 0.00 H ATOM 298 HN3 SER A 90 0.961 -2.033 7.718 1.00 0.00 H ATOM 299 HN2 SER A 90 -0.512 -1.196 7.838 1.00 0.00 H ATOM 300 HN1 SER A 90 0.928 -0.460 8.359 1.00 0.00 H ATOM 301 N GLU A 91 0.106 -2.769 5.529 1.00 75.07 N ATOM 302 CA GLU A 91 -0.354 -3.735 4.541 1.00 67.33 C ATOM 303 C GLU A 91 -1.871 -3.838 4.471 1.00 54.21 C ATOM 304 O GLU A 91 -2.390 -4.403 3.501 1.00 44.32 O ATOM 305 CB GLU A 91 0.237 -5.116 4.833 1.00 76.58 C ATOM 306 CG GLU A 91 -0.414 -5.829 6.002 1.00 85.38 C ATOM 307 CD GLU A 91 0.379 -7.036 6.461 1.00 96.73 C ATOM 308 OE1 GLU A 91 1.238 -7.513 5.690 1.00 99.12 O ATOM 309 OE2 GLU A 91 0.149 -7.502 7.597 1.00100.49 O ATOM 310 H GLU A 91 0.438 -3.101 6.457 1.00 0.00 H ATOM 311 N VAL A 92 -2.594 -3.319 5.467 1.00 43.12 N ATOM 312 CA VAL A 92 -4.051 -3.326 5.368 1.00 42.75 C ATOM 313 C VAL A 92 -4.509 -2.388 4.258 1.00 37.23 C ATOM 314 O VAL A 92 -5.571 -2.596 3.656 1.00 35.13 O ATOM 315 CB VAL A 92 -4.691 -2.969 6.725 1.00 48.25 C ATOM 316 CG1 VAL A 92 -4.313 -1.559 7.148 1.00 52.14 C ATOM 317 CG2 VAL A 92 -6.208 -3.138 6.669 1.00 49.90 C ATOM 318 H VAL A 92 -2.125 -2.915 6.303 1.00 0.00 H ATOM 319 N VAL A 93 -3.719 -1.357 3.953 1.00 36.98 N ATOM 320 CA VAL A 93 -4.021 -0.508 2.804 1.00 36.18 C ATOM 321 C VAL A 93 -3.870 -1.298 1.511 1.00 34.22 C ATOM 322 O VAL A 93 -4.731 -1.244 0.625 1.00 30.50 O ATOM 323 CB VAL A 93 -3.124 0.742 2.807 1.00 35.23 C ATOM 324 CG1 VAL A 93 -3.318 1.536 1.524 1.00 33.28 C ATOM 325 CG2 VAL A 93 -3.422 1.604 4.024 1.00 44.63 C ATOM 326 H VAL A 93 -2.882 -1.157 4.538 1.00 0.00 H ATOM 327 N HIS A 94 -2.773 -2.049 1.385 1.00 34.65 N ATOM 328 CA HIS A 94 -2.571 -2.860 0.189 1.00 34.00 C ATOM 329 C HIS A 94 -3.662 -3.912 0.050 1.00 33.09 C ATOM 330 O HIS A 94 -4.189 -4.126 -1.047 1.00 31.30 O ATOM 331 CB HIS A 94 -1.187 -3.510 0.227 1.00 37.09 C ATOM 332 CG HIS A 94 -0.077 -2.533 0.456 1.00 43.05 C ATOM 333 ND1 HIS A 94 0.202 -1.508 -0.423 1.00 37.81 N ATOM 334 CD2 HIS A 94 0.814 -2.414 1.469 1.00 42.05 C ATOM 335 CE1 HIS A 94 1.221 -0.804 0.036 1.00 42.86 C ATOM 336 NE2 HIS A 94 1.611 -1.333 1.183 1.00 42.91 N ATOM 337 H HIS A 94 -2.060 -2.056 2.142 1.00 0.00 H ATOM 338 N LEU A 95 -4.030 -4.565 1.154 1.00 34.78 N ATOM 339 CA LEU A 95 -5.093 -5.565 1.098 1.00 35.76 C ATOM 340 C LEU A 95 -6.432 -4.928 0.750 1.00 34.48 C ATOM 341 O LEU A 95 -7.203 -5.490 -0.037 1.00 33.77 O ATOM 342 CB LEU A 95 -5.187 -6.316 2.428 1.00 40.00 C ATOM 343 CG LEU A 95 -6.236 -7.426 2.506 1.00 50.18 C ATOM 344 CD1 LEU A 95 -5.967 -8.499 1.459 1.00 54.96 C ATOM 345 CD2 LEU A 95 -6.276 -8.035 3.900 1.00 57.06 C ATOM 346 H LEU A 95 -3.558 -4.361 2.058 1.00 0.00 H ATOM 347 N THR A 96 -6.727 -3.756 1.322 1.00 31.29 N ATOM 348 CA THR A 96 -7.993 -3.092 1.022 1.00 30.49 C ATOM 349 C THR A 96 -8.060 -2.670 -0.440 1.00 27.16 C ATOM 350 O THR A 96 -9.076 -2.894 -1.107 1.00 26.13 O ATOM 351 CB THR A 96 -8.197 -1.884 1.940 1.00 31.76 C ATOM 352 OG1 THR A 96 -8.186 -2.312 3.307 1.00 32.46 O ATOM 353 CG2 THR A 96 -9.529 -1.208 1.648 1.00 33.04 C ATOM 354 HG1 THR A 96 -7.316 -2.738 3.511 1.00 0.00 H ATOM 355 H THR A 96 -6.054 -3.316 1.982 1.00 0.00 H ATOM 356 N LEU A 97 -6.983 -2.077 -0.962 1.00 29.61 N ATOM 357 CA LEU A 97 -6.972 -1.686 -2.369 1.00 27.09 C ATOM 358 C LEU A 97 -7.091 -2.903 -3.280 1.00 29.29 C ATOM 359 O LEU A 97 -7.806 -2.862 -4.291 1.00 27.03 O ATOM 360 CB LEU A 97 -5.701 -0.898 -2.685 1.00 25.96 C ATOM 361 CG LEU A 97 -5.556 -0.486 -4.150 1.00 27.34 C ATOM 362 CD1 LEU A 97 -6.692 0.442 -4.562 1.00 30.07 C ATOM 363 CD2 LEU A 97 -4.200 0.156 -4.418 1.00 26.75 C ATOM 364 H LEU A 97 -6.151 -1.893 -0.366 1.00 0.00 H ATOM 365 N ARG A 98 -6.402 -3.996 -2.936 1.00 31.14 N ATOM 366 CA ARG A 98 -6.494 -5.221 -3.728 1.00 31.63 C ATOM 367 C ARG A 98 -7.934 -5.704 -3.838 1.00 31.58 C ATOM 368 O ARG A 98 -8.406 -6.053 -4.927 1.00 29.36 O ATOM 369 CB ARG A 98 -5.620 -6.311 -3.110 1.00 37.44 C ATOM 370 CG ARG A 98 -4.264 -6.459 -3.756 1.00 47.96 C ATOM 371 CD ARG A 98 -3.409 -7.434 -2.975 1.00 53.50 C ATOM 372 NE ARG A 98 -4.204 -8.502 -2.385 1.00 57.05 N ATOM 373 CZ ARG A 98 -3.714 -9.431 -1.571 1.00 69.20 C ATOM 374 NH1 ARG A 98 -2.426 -9.422 -1.255 1.00 71.39 N ATOM 375 NH2 ARG A 98 -4.510 -10.368 -1.074 1.00 73.05 N ATOM 376 HE ARG A 98 -5.218 -8.540 -2.615 1.00 0.00 H ATOM 377 HH12 ARG A 98 -2.042 -10.149 -0.618 1.00 0.00 H ATOM 378 HH11 ARG A 98 -1.800 -8.688 -1.644 1.00 0.00 H ATOM 379 HH22 ARG A 98 -4.124 -11.094 -0.437 1.00 0.00 H ATOM 380 HH21 ARG A 98 -5.520 -10.377 -1.321 1.00 0.00 H ATOM 381 H ARG A 98 -5.792 -3.974 -2.094 1.00 0.00 H ATOM 382 N GLN A 99 -8.647 -5.740 -2.715 1.00 27.52 N ATOM 383 CA GLN A 99 -10.001 -6.273 -2.733 1.00 27.81 C ATOM 384 C GLN A 99 -10.990 -5.301 -3.356 1.00 30.49 C ATOM 385 O GLN A 99 -11.913 -5.739 -4.048 1.00 29.13 O ATOM 386 CB GLN A 99 -10.419 -6.667 -1.317 1.00 32.53 C ATOM 387 CG GLN A 99 -9.431 -7.640 -0.670 1.00 42.48 C ATOM 388 CD GLN A 99 -10.094 -8.666 0.226 1.00 66.80 C ATOM 389 OE1 GLN A 99 -11.280 -8.566 0.536 1.00 81.67 O ATOM 390 NE2 GLN A 99 -9.326 -9.669 0.641 1.00 71.94 N ATOM 391 HE22 GLN A 99 -8.327 -9.713 0.353 1.00 0.00 H ATOM 392 HE21 GLN A 99 -9.724 -10.410 1.253 1.00 0.00 H ATOM 393 H GLN A 99 -8.237 -5.388 -1.826 1.00 0.00 H ATOM 394 N ALA A 100 -10.798 -3.994 -3.156 1.00 28.65 N ATOM 395 CA ALA A 100 -11.647 -3.020 -3.831 1.00 29.07 C ATOM 396 C ALA A 100 -11.458 -3.088 -5.340 1.00 29.90 C ATOM 397 O ALA A 100 -12.435 -3.068 -6.098 1.00 27.99 O ATOM 398 CB ALA A 100 -11.344 -1.612 -3.318 1.00 23.19 C ATOM 399 H ALA A 100 -10.042 -3.671 -2.518 1.00 0.00 H ATOM 400 N ALA A 101 -10.206 -3.169 -5.792 1.00 25.71 N ATOM 401 CA ALA A 101 -9.931 -3.213 -7.224 1.00 25.25 C ATOM 402 C ALA A 101 -10.497 -4.476 -7.861 1.00 28.55 C ATOM 403 O ALA A 101 -11.071 -4.423 -8.956 1.00 31.04 O ATOM 404 CB ALA A 101 -8.425 -3.119 -7.467 1.00 25.06 C ATOM 405 H ALA A 101 -9.417 -3.201 -5.116 1.00 0.00 H ATOM 406 N ASP A 102 -10.329 -5.626 -7.199 1.00 26.04 N ATOM 407 CA ASP A 102 -10.895 -6.867 -7.717 1.00 25.77 C ATOM 408 C ASP A 102 -12.415 -6.791 -7.777 1.00 31.18 C ATOM 409 O ASP A 102 -13.036 -7.334 -8.699 1.00 30.58 O ATOM 410 CB ASP A 102 -10.460 -8.050 -6.856 1.00 28.28 C ATOM 411 CG ASP A 102 -8.999 -8.412 -7.055 1.00 42.44 C ATOM 412 OD1 ASP A 102 -8.354 -7.834 -7.957 1.00 46.73 O ATOM 413 OD2 ASP A 102 -8.499 -9.275 -6.308 1.00 45.44 O ATOM 414 H ASP A 102 -9.791 -5.636 -6.309 1.00 0.00 H ATOM 415 N ASP A 103 -13.032 -6.129 -6.796 1.00 30.74 N ATOM 416 CA ASP A 103 -14.480 -5.951 -6.824 1.00 32.21 C ATOM 417 C ASP A 103 -14.894 -5.034 -7.969 1.00 26.90 C ATOM 418 O ASP A 103 -15.879 -5.305 -8.667 1.00 28.08 O ATOM 419 CB ASP A 103 -14.958 -5.396 -5.483 1.00 36.77 C ATOM 420 CG ASP A 103 -16.465 -5.311 -5.389 1.00 33.89 C ATOM 421 OD1 ASP A 103 -17.110 -6.370 -5.244 1.00 33.22 O ATOM 422 OD2 ASP A 103 -17.005 -4.187 -5.462 1.00 31.23 O ATOM 423 H ASP A 103 -12.478 -5.738 -6.008 1.00 0.00 H ATOM 424 N PHE A 104 -14.147 -3.947 -8.179 1.00 27.48 N ATOM 425 CA PHE A 104 -14.403 -3.054 -9.306 1.00 30.52 C ATOM 426 C PHE A 104 -14.324 -3.805 -10.629 1.00 32.19 C ATOM 427 O PHE A 104 -15.202 -3.664 -11.490 1.00 31.66 O ATOM 428 CB PHE A 104 -13.407 -1.887 -9.284 1.00 27.95 C ATOM 429 CG PHE A 104 -13.541 -0.944 -10.454 1.00 28.72 C ATOM 430 CD1 PHE A 104 -14.404 0.139 -10.394 1.00 28.23 C ATOM 431 CD2 PHE A 104 -12.802 -1.140 -11.613 1.00 30.88 C ATOM 432 CE1 PHE A 104 -14.534 1.005 -11.467 1.00 25.42 C ATOM 433 CE2 PHE A 104 -12.929 -0.279 -12.690 1.00 28.40 C ATOM 434 CZ PHE A 104 -13.796 0.796 -12.616 1.00 27.70 C ATOM 435 H PHE A 104 -13.366 -3.732 -7.526 1.00 0.00 H ATOM 436 N SER A 105 -13.280 -4.615 -10.776 1.00 26.67 N ATOM 437 CA SER A 105 -13.072 -5.393 -11.990 1.00 31.47 C ATOM 438 C SER A 105 -14.236 -6.340 -12.259 1.00 32.38 C ATOM 439 O SER A 105 -14.640 -6.526 -13.407 1.00 35.13 O ATOM 440 CB SER A 105 -11.764 -6.181 -11.902 1.00 33.66 C ATOM 441 OG SER A 105 -10.647 -5.312 -11.854 1.00 43.17 O ATOM 442 HG SER A 105 -10.628 -4.756 -12.673 1.00 0.00 H ATOM 443 H SER A 105 -12.591 -4.696 -10.001 1.00 0.00 H ATOM 444 N ARG A 106 -14.795 -6.912 -11.197 1.00 27.38 N ATOM 445 CA ARG A 106 -15.913 -7.839 -11.347 1.00 32.81 C ATOM 446 C ARG A 106 -17.198 -7.100 -11.691 1.00 30.06 C ATOM 447 O ARG A 106 -18.031 -7.610 -12.449 1.00 33.36 O ATOM 448 CB ARG A 106 -16.103 -8.661 -10.075 1.00 38.50 C ATOM 449 CG ARG A 106 -15.193 -9.867 -9.983 1.00 48.06 C ATOM 450 CD ARG A 106 -15.614 -10.783 -8.847 1.00 63.66 C ATOM 451 NE ARG A 106 -15.374 -10.178 -7.541 1.00 76.51 N ATOM 452 CZ ARG A 106 -14.216 -10.248 -6.891 1.00 82.46 C ATOM 453 NH1 ARG A 106 -13.192 -10.898 -7.428 1.00 84.75 N ATOM 454 NH2 ARG A 106 -14.082 -9.669 -5.706 1.00 80.07 N ATOM 455 HE ARG A 106 -16.156 -9.661 -7.091 1.00 0.00 H ATOM 456 HH12 ARG A 106 -12.286 -10.953 -6.920 1.00 0.00 H ATOM 457 HH11 ARG A 106 -13.295 -11.353 -8.358 1.00 0.00 H ATOM 458 HH22 ARG A 106 -13.175 -9.725 -5.199 1.00 0.00 H ATOM 459 HH21 ARG A 106 -14.883 -9.159 -5.283 1.00 0.00 H ATOM 460 H ARG A 106 -14.431 -6.696 -10.247 1.00 0.00 H ATOM 461 N ARG A 107 -17.387 -5.901 -11.140 1.00 28.70 N ATOM 462 CA ARG A 107 -18.615 -5.169 -11.417 1.00 33.35 C ATOM 463 C ARG A 107 -18.596 -4.526 -12.797 1.00 29.94 C ATOM 464 O ARG A 107 -19.654 -4.371 -13.417 1.00 31.93 O ATOM 465 CB ARG A 107 -18.852 -4.112 -10.341 1.00 29.87 C ATOM 466 CG ARG A 107 -19.109 -4.711 -8.974 1.00 34.48 C ATOM 467 CD ARG A 107 -19.503 -3.664 -7.949 1.00 33.78 C ATOM 468 NE ARG A 107 -19.373 -4.194 -6.597 1.00 35.26 N ATOM 469 CZ ARG A 107 -20.294 -4.934 -5.992 1.00 38.82 C ATOM 470 NH1 ARG A 107 -21.429 -5.231 -6.615 1.00 38.77 N ATOM 471 NH2 ARG A 107 -20.082 -5.377 -4.761 1.00 47.85 N ATOM 472 HE ARG A 107 -18.501 -3.978 -6.072 1.00 0.00 H ATOM 473 HH12 ARG A 107 -22.148 -5.811 -6.137 1.00 0.00 H ATOM 474 HH11 ARG A 107 -21.599 -4.883 -7.580 1.00 0.00 H ATOM 475 HH22 ARG A 107 -20.803 -5.957 -4.286 1.00 0.00 H ATOM 476 HH21 ARG A 107 -19.195 -5.145 -4.270 1.00 0.00 H ATOM 477 H ARG A 107 -16.662 -5.491 -10.517 1.00 0.00 H ATOM 478 N TYR A 108 -17.413 -4.172 -13.305 1.00 29.75 N ATOM 479 CA TYR A 108 -17.334 -3.483 -14.586 1.00 32.28 C ATOM 480 C TYR A 108 -16.444 -4.238 -15.567 1.00 32.09 C ATOM 481 O TYR A 108 -15.623 -3.629 -16.260 1.00 30.78 O ATOM 482 CB TYR A 108 -16.853 -2.045 -14.355 1.00 28.22 C ATOM 483 CG TYR A 108 -17.833 -1.302 -13.479 1.00 35.54 C ATOM 484 CD1 TYR A 108 -19.036 -0.847 -14.000 1.00 32.21 C ATOM 485 CD2 TYR A 108 -17.591 -1.112 -12.126 1.00 27.03 C ATOM 486 CE1 TYR A 108 -19.961 -0.194 -13.207 1.00 34.76 C ATOM 487 CE2 TYR A 108 -18.517 -0.457 -11.318 1.00 27.97 C ATOM 488 CZ TYR A 108 -19.701 -0.002 -11.872 1.00 30.31 C ATOM 489 OH TYR A 108 -20.634 0.650 -11.095 1.00 32.63 O ATOM 490 HH TYR A 108 -21.411 0.901 -11.655 1.00 0.00 H ATOM 491 H TYR A 108 -16.541 -4.390 -12.782 1.00 0.00 H ATOM 492 N ARG A 109 -16.633 -5.563 -15.651 1.00 32.98 N ATOM 493 CA ARG A 109 -15.843 -6.389 -16.566 1.00 39.85 C ATOM 494 C ARG A 109 -15.979 -5.924 -18.010 1.00 40.56 C ATOM 495 O ARG A 109 -15.014 -5.986 -18.781 1.00 40.32 O ATOM 496 CB ARG A 109 -16.266 -7.856 -16.474 1.00 52.23 C ATOM 497 CG ARG A 109 -16.919 -8.255 -15.178 1.00 65.96 C ATOM 498 CD ARG A 109 -17.704 -9.547 -15.338 1.00 74.26 C ATOM 499 NE ARG A 109 -18.438 -9.895 -14.125 1.00 78.84 N ATOM 500 CZ ARG A 109 -18.063 -10.836 -13.265 1.00 88.77 C ATOM 501 NH1 ARG A 109 -16.959 -11.539 -13.483 1.00 92.30 N ATOM 502 NH2 ARG A 109 -18.797 -11.080 -12.189 1.00 93.38 N ATOM 503 HE ARG A 109 -19.313 -9.371 -13.920 1.00 0.00 H ATOM 504 HH12 ARG A 109 -16.669 -12.275 -12.807 1.00 0.00 H ATOM 505 HH11 ARG A 109 -16.384 -11.354 -14.329 1.00 0.00 H ATOM 506 HH22 ARG A 109 -18.504 -11.816 -11.516 1.00 0.00 H ATOM 507 HH21 ARG A 109 -19.666 -10.535 -12.018 1.00 0.00 H ATOM 508 H ARG A 109 -17.356 -6.013 -15.054 1.00 0.00 H ATOM 509 N ARG A 110 -17.179 -5.489 -18.406 1.00 37.91 N ATOM 510 CA ARG A 110 -17.377 -5.035 -19.779 1.00 40.85 C ATOM 511 C ARG A 110 -16.529 -3.805 -20.079 1.00 39.68 C ATOM 512 O ARG A 110 -15.990 -3.668 -21.184 1.00 46.41 O ATOM 513 CB ARG A 110 -18.858 -4.753 -20.028 1.00 42.13 C ATOM 514 CG ARG A 110 -19.715 -6.005 -20.041 1.00 48.64 C ATOM 515 CD ARG A 110 -21.196 -5.671 -19.993 1.00 60.56 C ATOM 516 NE ARG A 110 -22.026 -6.857 -20.183 1.00 75.01 N ATOM 517 CZ ARG A 110 -22.336 -7.718 -19.218 1.00 82.19 C ATOM 518 NH1 ARG A 110 -21.881 -7.530 -17.987 1.00 86.54 N ATOM 519 NH2 ARG A 110 -23.100 -8.770 -19.486 1.00 82.23 N ATOM 520 HE ARG A 110 -22.400 -7.041 -21.136 1.00 0.00 H ATOM 521 HH12 ARG A 110 -22.125 -8.205 -17.234 1.00 0.00 H ATOM 522 HH11 ARG A 110 -21.280 -6.708 -17.774 1.00 0.00 H ATOM 523 HH22 ARG A 110 -23.342 -9.443 -18.731 1.00 0.00 H ATOM 524 HH21 ARG A 110 -23.457 -8.921 -20.451 1.00 0.00 H ATOM 525 H ARG A 110 -17.973 -5.474 -17.735 1.00 0.00 H ATOM 526 N ASP A 111 -16.390 -2.904 -19.103 1.00 37.50 N ATOM 527 CA ASP A 111 -15.491 -1.768 -19.270 1.00 44.80 C ATOM 528 C ASP A 111 -14.033 -2.217 -19.271 1.00 49.06 C ATOM 529 O ASP A 111 -13.219 -1.702 -20.046 1.00 48.83 O ATOM 530 CB ASP A 111 -15.737 -0.736 -18.169 1.00 39.91 C ATOM 531 CG ASP A 111 -17.105 -0.092 -18.265 1.00 51.96 C ATOM 532 OD1 ASP A 111 -17.596 0.102 -19.398 1.00 58.85 O ATOM 533 OD2 ASP A 111 -17.688 0.225 -17.207 1.00 54.86 O ATOM 534 H ASP A 111 -16.926 -3.013 -18.219 1.00 0.00 H ATOM 535 N PHE A 112 -13.688 -3.173 -18.402 1.00 50.81 N ATOM 536 CA PHE A 112 -12.346 -3.749 -18.402 1.00 54.58 C ATOM 537 C PHE A 112 -12.011 -4.355 -19.761 1.00 50.80 C ATOM 538 O PHE A 112 -10.871 -4.257 -20.230 1.00 55.87 O ATOM 539 CB PHE A 112 -12.248 -4.804 -17.295 1.00 57.46 C ATOM 540 CG PHE A 112 -10.839 -5.178 -16.910 1.00 64.32 C ATOM 541 CD1 PHE A 112 -10.093 -6.046 -17.694 1.00 70.82 C ATOM 542 CD2 PHE A 112 -10.278 -4.692 -15.739 1.00 62.43 C ATOM 543 CE1 PHE A 112 -8.804 -6.399 -17.330 1.00 72.38 C ATOM 544 CE2 PHE A 112 -8.993 -5.044 -15.369 1.00 66.94 C ATOM 545 CZ PHE A 112 -8.254 -5.899 -16.165 1.00 72.34 C ATOM 546 H PHE A 112 -14.389 -3.513 -17.713 1.00 0.00 H ATOM 547 N ALA A 113 -13.001 -4.968 -20.417 1.00 47.27 N ATOM 548 CA ALA A 113 -12.771 -5.625 -21.700 1.00 47.82 C ATOM 549 C ALA A 113 -12.667 -4.624 -22.847 1.00 53.99 C ATOM 550 O ALA A 113 -11.791 -4.762 -23.709 1.00 58.82 O ATOM 551 CB ALA A 113 -13.884 -6.636 -21.980 1.00 47.69 C ATOM 552 H ALA A 113 -13.956 -4.977 -20.005 1.00 0.00 H ATOM 553 N GLU A 114 -13.554 -3.623 -22.887 1.00 53.64 N ATOM 554 CA GLU A 114 -13.484 -2.629 -23.956 1.00 64.52 C ATOM 555 C GLU A 114 -12.205 -1.805 -23.875 1.00 62.35 C ATOM 556 O GLU A 114 -11.649 -1.425 -24.911 1.00 65.93 O ATOM 557 CB GLU A 114 -14.714 -1.715 -23.925 1.00 75.92 C ATOM 558 CG GLU A 114 -14.909 -0.929 -22.631 1.00 90.09 C ATOM 559 CD GLU A 114 -14.589 0.553 -22.766 1.00103.02 C ATOM 560 OE1 GLU A 114 -14.151 0.977 -23.856 1.00109.24 O ATOM 561 OE2 GLU A 114 -14.781 1.297 -21.779 1.00102.00 O ATOM 562 H GLU A 114 -14.292 -3.552 -22.158 1.00 0.00 H ATOM 563 N MET A 115 -11.718 -1.531 -22.663 1.00 52.64 N ATOM 564 CA MET A 115 -10.481 -0.770 -22.521 1.00 55.14 C ATOM 565 C MET A 115 -9.288 -1.562 -23.045 1.00 58.34 C ATOM 566 O MET A 115 -8.451 -1.027 -23.782 1.00 62.61 O ATOM 567 CB MET A 115 -10.270 -0.379 -21.058 1.00 46.23 C ATOM 568 CG MET A 115 -9.044 0.488 -20.832 1.00 49.53 C ATOM 569 SD MET A 115 -9.162 2.061 -21.705 1.00 56.42 S ATOM 570 CE MET A 115 -10.263 2.963 -20.617 1.00 54.49 C ATOM 571 H MET A 115 -12.223 -1.861 -21.816 1.00 0.00 H ATOM 572 N SER A 116 -9.202 -2.846 -22.681 1.00 59.20 N ATOM 573 CA SER A 116 -8.072 -3.673 -23.097 1.00 62.41 C ATOM 574 C SER A 116 -7.986 -3.781 -24.615 1.00 73.78 C ATOM 575 O SER A 116 -6.888 -3.781 -25.185 1.00 78.48 O ATOM 576 CB SER A 116 -8.184 -5.069 -22.479 1.00 51.24 C ATOM 577 OG SER A 116 -8.336 -5.012 -21.071 1.00 46.19 O ATOM 578 HG SER A 116 -9.158 -4.507 -20.849 1.00 0.00 H ATOM 579 H SER A 116 -9.952 -3.262 -22.092 1.00 0.00 H ATOM 580 N SER A 117 -9.133 -3.871 -25.287 1.00 75.22 N ATOM 581 CA SER A 117 -9.159 -4.141 -26.718 1.00 81.96 C ATOM 582 C SER A 117 -8.961 -2.898 -27.575 1.00 85.30 C ATOM 583 O SER A 117 -8.787 -3.033 -28.792 1.00 88.93 O ATOM 584 CB SER A 117 -10.483 -4.812 -27.093 1.00 82.93 C ATOM 585 OG SER A 117 -10.693 -5.984 -26.324 1.00 83.04 O ATOM 586 HG SER A 117 -10.717 -5.747 -25.363 1.00 0.00 H ATOM 587 H SER A 117 -10.031 -3.745 -24.778 1.00 0.00 H ATOM 588 N GLN A 118 -8.973 -1.703 -26.986 1.00 86.44 N ATOM 589 CA GLN A 118 -8.931 -0.469 -27.757 1.00 92.99 C ATOM 590 C GLN A 118 -7.754 0.436 -27.425 1.00 91.37 C ATOM 591 O GLN A 118 -7.599 1.477 -28.075 1.00 92.26 O ATOM 592 CB GLN A 118 -10.231 0.323 -27.562 1.00 97.40 C ATOM 593 CG GLN A 118 -11.491 -0.434 -27.931 1.00101.90 C ATOM 594 CD GLN A 118 -12.737 0.405 -27.740 1.00108.35 C ATOM 595 OE1 GLN A 118 -13.553 0.137 -26.857 1.00107.75 O ATOM 596 NE2 GLN A 118 -12.890 1.432 -28.567 1.00114.88 N ATOM 597 HE22 GLN A 118 -12.175 1.621 -29.299 1.00 0.00 H ATOM 598 HE21 GLN A 118 -13.724 2.047 -28.483 1.00 0.00 H ATOM 599 H GLN A 118 -9.013 -1.650 -25.948 1.00 0.00 H ATOM 600 N LEU A 119 -6.927 0.084 -26.437 1.00 67.93 N ATOM 601 CA LEU A 119 -5.822 0.957 -26.049 1.00 71.54 C ATOM 602 C LEU A 119 -4.872 1.200 -27.217 1.00 77.54 C ATOM 603 O LEU A 119 -4.524 2.349 -27.518 1.00 76.94 O ATOM 604 CB LEU A 119 -5.074 0.363 -24.856 1.00 64.47 C ATOM 605 CG LEU A 119 -5.492 0.870 -23.475 1.00 59.57 C ATOM 606 CD1 LEU A 119 -4.841 0.044 -22.378 1.00 57.76 C ATOM 607 CD2 LEU A 119 -5.141 2.344 -23.315 1.00 57.80 C ATOM 608 H LEU A 119 -7.071 -0.818 -25.940 1.00 0.00 H ATOM 609 N HIS A 120 -4.450 0.130 -27.890 1.00 76.08 N ATOM 610 CA HIS A 120 -3.549 0.206 -29.040 1.00 76.04 C ATOM 611 C HIS A 120 -2.284 0.991 -28.691 1.00 62.91 C ATOM 612 O HIS A 120 -1.969 2.027 -29.279 1.00 65.97 O ATOM 613 CB HIS A 120 -4.265 0.809 -30.252 1.00 86.39 C ATOM 614 CG HIS A 120 -5.352 -0.061 -30.803 1.00102.30 C ATOM 615 ND1 HIS A 120 -6.532 0.448 -31.303 1.00108.46 N ATOM 616 CD2 HIS A 120 -5.435 -1.405 -30.938 1.00106.39 C ATOM 617 CE1 HIS A 120 -7.296 -0.546 -31.719 1.00110.95 C ATOM 618 NE2 HIS A 120 -6.654 -1.681 -31.509 1.00109.55 N ATOM 619 H HIS A 120 -4.778 -0.807 -27.582 1.00 0.00 H ATOM 620 N LEU A 121 -1.556 0.468 -27.709 1.00 49.05 N ATOM 621 CA LEU A 121 -0.384 1.149 -27.182 1.00 43.66 C ATOM 622 C LEU A 121 0.806 1.015 -28.121 1.00 43.70 C ATOM 623 O LEU A 121 0.989 -0.012 -28.782 1.00 40.54 O ATOM 624 CB LEU A 121 -0.007 0.586 -25.810 1.00 43.00 C ATOM 625 CG LEU A 121 -0.981 0.754 -24.646 1.00 52.52 C ATOM 626 CD1 LEU A 121 -0.466 -0.003 -23.434 1.00 52.89 C ATOM 627 CD2 LEU A 121 -1.181 2.225 -24.315 1.00 57.87 C ATOM 628 H LEU A 121 -1.832 -0.451 -27.308 1.00 0.00 H ATOM 629 N THR A 122 1.606 2.069 -28.182 1.00 39.62 N ATOM 630 CA THR A 122 2.952 2.060 -28.730 1.00 39.78 C ATOM 631 C THR A 122 3.831 2.800 -27.736 1.00 38.87 C ATOM 632 O THR A 122 3.323 3.545 -26.891 1.00 35.83 O ATOM 633 CB THR A 122 3.029 2.727 -30.114 1.00 44.87 C ATOM 634 OG1 THR A 122 2.879 4.145 -29.980 1.00 51.82 O ATOM 635 CG2 THR A 122 1.952 2.185 -31.048 1.00 48.80 C ATOM 636 HG1 THR A 122 2.001 4.345 -29.568 1.00 0.00 H ATOM 637 H THR A 122 1.244 2.970 -27.810 1.00 0.00 H ATOM 638 N PRO A 123 5.152 2.601 -27.787 1.00 39.04 N ATOM 639 CA PRO A 123 6.018 3.283 -26.810 1.00 42.25 C ATOM 640 C PRO A 123 5.898 4.796 -26.845 1.00 46.00 C ATOM 641 O PRO A 123 6.059 5.448 -25.806 1.00 44.14 O ATOM 642 CB PRO A 123 7.425 2.819 -27.210 1.00 45.44 C ATOM 643 CG PRO A 123 7.206 1.519 -27.909 1.00 46.34 C ATOM 644 CD PRO A 123 5.920 1.689 -28.654 1.00 44.05 C ATOM 645 N PHE A 124 5.603 5.376 -28.005 1.00 34.77 N ATOM 646 CA PHE A 124 5.549 6.824 -28.136 1.00 36.49 C ATOM 647 C PHE A 124 4.173 7.403 -27.838 1.00 35.35 C ATOM 648 O PHE A 124 4.067 8.609 -27.591 1.00 42.41 O ATOM 649 CB PHE A 124 5.993 7.231 -29.542 1.00 48.89 C ATOM 650 CG PHE A 124 7.283 6.590 -29.966 1.00 60.93 C ATOM 651 CD1 PHE A 124 8.489 7.022 -29.439 1.00 65.59 C ATOM 652 CD2 PHE A 124 7.289 5.547 -30.878 1.00 69.22 C ATOM 653 CE1 PHE A 124 9.681 6.431 -29.820 1.00 69.31 C ATOM 654 CE2 PHE A 124 8.479 4.952 -31.265 1.00 70.95 C ATOM 655 CZ PHE A 124 9.676 5.396 -30.735 1.00 72.52 C ATOM 656 H PHE A 124 5.407 4.782 -28.836 1.00 0.00 H ATOM 657 N THR A 125 3.125 6.580 -27.847 1.00 37.62 N ATOM 658 CA THR A 125 1.777 7.042 -27.542 1.00 32.77 C ATOM 659 C THR A 125 1.317 6.667 -26.140 1.00 35.01 C ATOM 660 O THR A 125 0.245 7.116 -25.721 1.00 29.11 O ATOM 661 CB THR A 125 0.776 6.482 -28.562 1.00 43.33 C ATOM 662 OG1 THR A 125 0.779 5.050 -28.502 1.00 46.49 O ATOM 663 CG2 THR A 125 1.140 6.929 -29.973 1.00 43.20 C ATOM 664 HG1 THR A 125 1.686 4.714 -28.712 1.00 0.00 H ATOM 665 H THR A 125 3.274 5.577 -28.079 1.00 0.00 H ATOM 666 N ALA A 126 2.098 5.869 -25.404 1.00 28.43 N ATOM 667 CA ALA A 126 1.636 5.367 -24.112 1.00 28.33 C ATOM 668 C ALA A 126 1.335 6.505 -23.142 1.00 26.31 C ATOM 669 O ALA A 126 0.296 6.500 -22.471 1.00 28.84 O ATOM 670 CB ALA A 126 2.669 4.409 -23.521 1.00 28.80 C ATOM 671 H ALA A 126 3.041 5.604 -25.754 1.00 0.00 H ATOM 672 N ARG A 127 2.232 7.496 -23.054 1.00 26.97 N ATOM 673 CA ARG A 127 2.015 8.596 -22.116 1.00 26.88 C ATOM 674 C ARG A 127 0.749 9.372 -22.457 1.00 27.16 C ATOM 675 O ARG A 127 -0.029 9.731 -21.563 1.00 29.58 O ATOM 676 CB ARG A 127 3.223 9.531 -22.100 1.00 35.08 C ATOM 677 CG ARG A 127 3.044 10.755 -21.200 1.00 29.73 C ATOM 678 CD ARG A 127 2.975 10.370 -19.727 1.00 30.80 C ATOM 679 NE ARG A 127 2.880 11.537 -18.851 1.00 44.10 N ATOM 680 CZ ARG A 127 1.768 11.924 -18.232 1.00 55.72 C ATOM 681 NH1 ARG A 127 0.644 11.234 -18.383 1.00 60.29 N ATOM 682 NH2 ARG A 127 1.779 12.999 -17.456 1.00 59.44 N ATOM 683 HE ARG A 127 3.740 12.103 -18.702 1.00 0.00 H ATOM 684 HH12 ARG A 127 -0.223 11.540 -17.897 1.00 0.00 H ATOM 685 HH11 ARG A 127 0.631 10.387 -18.987 1.00 0.00 H ATOM 686 HH22 ARG A 127 0.909 13.300 -16.973 1.00 0.00 H ATOM 687 HH21 ARG A 127 2.658 13.541 -17.331 1.00 0.00 H ATOM 688 H ARG A 127 3.082 7.483 -23.653 1.00 0.00 H ATOM 689 N GLY A 128 0.519 9.631 -23.747 1.00 29.00 N ATOM 690 CA GLY A 128 -0.670 10.370 -24.144 1.00 29.93 C ATOM 691 C GLY A 128 -1.953 9.596 -23.906 1.00 28.25 C ATOM 692 O GLY A 128 -2.967 10.171 -23.497 1.00 28.15 O ATOM 693 H GLY A 128 1.191 9.304 -24.470 1.00 0.00 H ATOM 694 N ARG A 129 -1.936 8.284 -24.169 1.00 27.57 N ATOM 695 CA ARG A 129 -3.110 7.460 -23.890 1.00 27.61 C ATOM 696 C ARG A 129 -3.430 7.454 -22.401 1.00 25.27 C ATOM 697 O ARG A 129 -4.597 7.552 -22.006 1.00 28.37 O ATOM 698 CB ARG A 129 -2.888 6.028 -24.391 1.00 27.30 C ATOM 699 CG ARG A 129 -2.679 5.873 -25.902 1.00 37.27 C ATOM 700 CD ARG A 129 -3.962 6.121 -26.684 1.00 39.38 C ATOM 701 NE ARG A 129 -4.266 7.544 -26.775 1.00 61.54 N ATOM 702 CZ ARG A 129 -5.491 8.045 -26.876 1.00 69.41 C ATOM 703 NH1 ARG A 129 -6.545 7.239 -26.897 1.00 73.12 N ATOM 704 NH2 ARG A 129 -5.661 9.356 -26.944 1.00 65.00 N ATOM 705 HE ARG A 129 -3.469 8.212 -26.760 1.00 0.00 H ATOM 706 HH12 ARG A 129 -7.503 7.637 -26.976 1.00 0.00 H ATOM 707 HH11 ARG A 129 -6.414 6.209 -26.834 1.00 0.00 H ATOM 708 HH22 ARG A 129 -6.619 9.753 -27.023 1.00 0.00 H ATOM 709 HH21 ARG A 129 -4.836 9.989 -26.918 1.00 0.00 H ATOM 710 H ARG A 129 -1.083 7.849 -24.574 1.00 0.00 H ATOM 711 N PHE A 130 -2.401 7.334 -21.560 1.00 24.33 N ATOM 712 CA PHE A 130 -2.605 7.369 -20.116 1.00 28.04 C ATOM 713 C PHE A 130 -3.194 8.705 -19.678 1.00 29.79 C ATOM 714 O PHE A 130 -4.192 8.748 -18.948 1.00 28.75 O ATOM 715 CB PHE A 130 -1.277 7.095 -19.408 1.00 27.07 C ATOM 716 CG PHE A 130 -1.374 7.072 -17.907 1.00 31.24 C ATOM 717 CD1 PHE A 130 -1.158 8.228 -17.165 1.00 26.21 C ATOM 718 CD2 PHE A 130 -1.658 5.892 -17.238 1.00 34.08 C ATOM 719 CE1 PHE A 130 -1.238 8.205 -15.781 1.00 31.38 C ATOM 720 CE2 PHE A 130 -1.738 5.862 -15.856 1.00 32.69 C ATOM 721 CZ PHE A 130 -1.528 7.019 -15.127 1.00 32.52 C ATOM 722 H PHE A 130 -1.440 7.214 -21.939 1.00 0.00 H ATOM 723 N ALA A 131 -2.590 9.812 -20.125 1.00 23.48 N ATOM 724 CA ALA A 131 -3.065 11.133 -19.719 1.00 25.70 C ATOM 725 C ALA A 131 -4.490 11.385 -20.194 1.00 29.42 C ATOM 726 O ALA A 131 -5.291 12.002 -19.480 1.00 31.71 O ATOM 727 CB ALA A 131 -2.135 12.217 -20.261 1.00 26.60 C ATOM 728 H ALA A 131 -1.776 9.732 -20.767 1.00 0.00 H ATOM 729 N THR A 132 -4.820 10.930 -21.406 1.00 28.22 N ATOM 730 CA THR A 132 -6.148 11.184 -21.961 1.00 28.12 C ATOM 731 C THR A 132 -7.227 10.478 -21.149 1.00 32.97 C ATOM 732 O THR A 132 -8.256 11.077 -20.808 1.00 31.04 O ATOM 733 CB THR A 132 -6.199 10.737 -23.424 1.00 29.22 C ATOM 734 OG1 THR A 132 -5.266 11.507 -24.199 1.00 35.25 O ATOM 735 CG2 THR A 132 -7.601 10.921 -23.992 1.00 31.17 C ATOM 736 HG1 THR A 132 -5.503 12.466 -24.140 1.00 0.00 H ATOM 737 H THR A 132 -4.125 10.390 -21.960 1.00 0.00 H ATOM 738 N VAL A 133 -7.005 9.200 -20.829 1.00 30.32 N ATOM 739 CA VAL A 133 -7.992 8.436 -20.070 1.00 29.60 C ATOM 740 C VAL A 133 -8.123 8.978 -18.654 1.00 25.76 C ATOM 741 O VAL A 133 -9.232 9.117 -18.123 1.00 28.56 O ATOM 742 CB VAL A 133 -7.615 6.946 -20.060 1.00 28.41 C ATOM 743 CG1 VAL A 133 -8.463 6.193 -19.043 1.00 28.11 C ATOM 744 CG2 VAL A 133 -7.774 6.355 -21.448 1.00 27.93 C ATOM 745 H VAL A 133 -6.118 8.743 -21.124 1.00 0.00 H ATOM 746 N VAL A 134 -6.997 9.293 -18.016 1.00 27.55 N ATOM 747 CA VAL A 134 -7.050 9.689 -16.615 1.00 20.27 C ATOM 748 C VAL A 134 -7.711 11.056 -16.464 1.00 28.33 C ATOM 749 O VAL A 134 -8.468 11.287 -15.511 1.00 33.54 O ATOM 750 CB VAL A 134 -5.643 9.640 -15.999 1.00 26.50 C ATOM 751 CG1 VAL A 134 -5.682 10.195 -14.630 1.00 32.09 C ATOM 752 CG2 VAL A 134 -5.174 8.198 -15.926 1.00 24.95 C ATOM 753 H VAL A 134 -6.085 9.256 -18.515 1.00 0.00 H ATOM 754 N GLU A 135 -7.484 11.971 -17.414 1.00 23.16 N ATOM 755 CA GLU A 135 -8.214 13.236 -17.370 1.00 24.56 C ATOM 756 C GLU A 135 -9.719 13.007 -17.468 1.00 27.37 C ATOM 757 O GLU A 135 -10.496 13.610 -16.719 1.00 27.92 O ATOM 758 CB GLU A 135 -7.762 14.181 -18.483 1.00 26.85 C ATOM 759 CG GLU A 135 -8.616 15.449 -18.534 1.00 29.35 C ATOM 760 CD GLU A 135 -8.220 16.403 -19.633 1.00 45.02 C ATOM 761 OE1 GLU A 135 -8.553 17.604 -19.518 1.00 52.56 O ATOM 762 OE2 GLU A 135 -7.579 15.956 -20.608 1.00 45.31 O ATOM 763 H GLU A 135 -6.798 11.784 -18.173 1.00 0.00 H ATOM 764 N GLU A 136 -10.150 12.140 -18.388 1.00 29.25 N ATOM 765 CA GLU A 136 -11.578 11.865 -18.530 1.00 31.53 C ATOM 766 C GLU A 136 -12.142 11.215 -17.270 1.00 30.19 C ATOM 767 O GLU A 136 -13.275 11.504 -16.864 1.00 30.99 O ATOM 768 CB GLU A 136 -11.818 10.978 -19.752 1.00 39.60 C ATOM 769 CG GLU A 136 -13.268 10.558 -19.965 1.00 56.07 C ATOM 770 CD GLU A 136 -14.206 11.738 -20.153 1.00 74.89 C ATOM 771 OE1 GLU A 136 -15.330 11.699 -19.606 1.00 77.05 O ATOM 772 OE2 GLU A 136 -13.823 12.705 -20.844 1.00 77.99 O ATOM 773 H GLU A 136 -9.466 11.658 -19.006 1.00 0.00 H ATOM 774 N LEU A 137 -11.355 10.346 -16.629 1.00 23.53 N ATOM 775 CA LEU A 137 -11.817 9.660 -15.425 1.00 29.46 C ATOM 776 C LEU A 137 -12.139 10.646 -14.306 1.00 32.21 C ATOM 777 O LEU A 137 -13.126 10.472 -13.582 1.00 26.70 O ATOM 778 CB LEU A 137 -10.761 8.650 -14.969 1.00 26.41 C ATOM 779 CG LEU A 137 -11.019 7.814 -13.711 1.00 26.78 C ATOM 780 CD1 LEU A 137 -12.272 6.965 -13.844 1.00 25.94 C ATOM 781 CD2 LEU A 137 -9.824 6.927 -13.414 1.00 26.82 C ATOM 782 H LEU A 137 -10.400 10.155 -16.993 1.00 0.00 H ATOM 783 N PHE A 138 -11.325 11.688 -14.149 1.00 29.69 N ATOM 784 CA PHE A 138 -11.488 12.639 -13.057 1.00 23.81 C ATOM 785 C PHE A 138 -12.090 13.965 -13.509 1.00 29.81 C ATOM 786 O PHE A 138 -12.105 14.923 -12.729 1.00 29.48 O ATOM 787 CB PHE A 138 -10.142 12.882 -12.365 1.00 26.03 C ATOM 788 CG PHE A 138 -9.572 11.657 -11.692 1.00 24.39 C ATOM 789 CD1 PHE A 138 -10.236 11.066 -10.631 1.00 28.00 C ATOM 790 CD2 PHE A 138 -8.372 11.103 -12.118 1.00 23.48 C ATOM 791 CE1 PHE A 138 -9.723 9.942 -10.007 1.00 25.97 C ATOM 792 CE2 PHE A 138 -7.848 9.975 -11.495 1.00 28.01 C ATOM 793 CZ PHE A 138 -8.524 9.396 -10.438 1.00 20.66 C ATOM 794 H PHE A 138 -10.549 11.827 -14.827 1.00 0.00 H ATOM 795 N ARG A 139 -12.607 14.034 -14.738 1.00 31.14 N ATOM 796 CA ARG A 139 -13.109 15.298 -15.270 1.00 35.96 C ATOM 797 C ARG A 139 -14.258 15.857 -14.434 1.00 40.43 C ATOM 798 O ARG A 139 -14.407 17.079 -14.328 1.00 41.80 O ATOM 799 CB ARG A 139 -13.555 15.102 -16.717 1.00 42.89 C ATOM 800 CG ARG A 139 -13.775 16.379 -17.499 1.00 57.15 C ATOM 801 CD ARG A 139 -14.583 16.067 -18.740 1.00 72.82 C ATOM 802 NE ARG A 139 -15.896 15.538 -18.381 1.00 84.30 N ATOM 803 CZ ARG A 139 -16.603 14.706 -19.138 1.00 89.03 C ATOM 804 NH1 ARG A 139 -17.789 14.281 -18.725 1.00 92.03 N ATOM 805 NH2 ARG A 139 -16.122 14.289 -20.300 1.00 90.18 N ATOM 806 HE ARG A 139 -16.305 15.832 -17.471 1.00 0.00 H ATOM 807 HH12 ARG A 139 -18.343 13.630 -19.317 1.00 0.00 H ATOM 808 HH11 ARG A 139 -18.165 14.599 -17.809 1.00 0.00 H ATOM 809 HH22 ARG A 139 -16.679 13.638 -20.890 1.00 0.00 H ATOM 810 HH21 ARG A 139 -15.188 14.613 -20.622 1.00 0.00 H ATOM 811 H ARG A 139 -12.653 13.176 -15.324 1.00 0.00 H ATOM 812 N ASP A 140 -15.071 14.989 -13.834 1.00 42.58 N ATOM 813 CA ASP A 140 -16.222 15.402 -13.039 1.00 53.09 C ATOM 814 C ASP A 140 -15.921 15.481 -11.547 1.00 47.60 C ATOM 815 O ASP A 140 -16.842 15.688 -10.750 1.00 45.44 O ATOM 816 CB ASP A 140 -17.397 14.450 -13.273 1.00 54.07 C ATOM 817 CG ASP A 140 -18.060 14.661 -14.617 1.00 71.64 C ATOM 818 OD1 ASP A 140 -17.930 15.770 -15.179 1.00 75.54 O ATOM 819 OD2 ASP A 140 -18.719 13.720 -15.107 1.00 78.12 O ATOM 820 H ASP A 140 -14.877 13.973 -13.937 1.00 0.00 H ATOM 821 N GLY A 141 -14.667 15.329 -11.153 1.00 34.95 N ATOM 822 CA GLY A 141 -14.288 15.317 -9.756 1.00 38.60 C ATOM 823 C GLY A 141 -13.690 13.983 -9.346 1.00 38.52 C ATOM 824 O GLY A 141 -13.723 12.996 -10.077 1.00 32.42 O ATOM 825 H GLY A 141 -13.926 15.214 -11.874 1.00 0.00 H ATOM 826 N VAL A 142 -13.133 13.984 -8.138 1.00 34.23 N ATOM 827 CA VAL A 142 -12.459 12.821 -7.575 1.00 26.28 C ATOM 828 C VAL A 142 -13.343 12.207 -6.500 1.00 29.85 C ATOM 829 O VAL A 142 -13.991 12.924 -5.727 1.00 27.20 O ATOM 830 CB VAL A 142 -11.079 13.196 -6.994 1.00 29.48 C ATOM 831 CG1 VAL A 142 -10.360 11.956 -6.475 1.00 33.54 C ATOM 832 CG2 VAL A 142 -10.235 13.908 -8.036 1.00 34.75 C ATOM 833 H VAL A 142 -13.181 14.854 -7.570 1.00 0.00 H ATOM 834 N ASN A 143 -13.382 10.876 -6.468 1.00 25.11 N ATOM 835 CA ASN A 143 -13.880 10.144 -5.314 1.00 24.98 C ATOM 836 C ASN A 143 -13.100 8.840 -5.237 1.00 26.96 C ATOM 837 O ASN A 143 -12.312 8.517 -6.129 1.00 24.56 O ATOM 838 CB ASN A 143 -15.405 9.918 -5.376 1.00 30.89 C ATOM 839 CG ASN A 143 -15.852 9.130 -6.605 1.00 32.12 C ATOM 840 OD1 ASN A 143 -15.090 8.361 -7.192 1.00 29.76 O ATOM 841 ND2 ASN A 143 -17.113 9.316 -6.988 1.00 38.23 N ATOM 842 HD22 ASN A 143 -17.724 9.975 -6.464 1.00 0.00 H ATOM 843 HD21 ASN A 143 -17.488 8.802 -7.811 1.00 0.00 H ATOM 844 H ASN A 143 -13.045 10.343 -7.295 1.00 0.00 H ATOM 845 N TRP A 144 -13.322 8.089 -4.158 1.00 23.62 N ATOM 846 CA TRP A 144 -12.519 6.889 -3.933 1.00 26.94 C ATOM 847 C TRP A 144 -12.723 5.863 -5.045 1.00 30.74 C ATOM 848 O TRP A 144 -11.770 5.195 -5.466 1.00 22.66 O ATOM 849 CB TRP A 144 -12.842 6.285 -2.563 1.00 25.61 C ATOM 850 CG TRP A 144 -12.339 7.112 -1.389 1.00 27.96 C ATOM 851 CD1 TRP A 144 -13.097 7.741 -0.442 1.00 28.62 C ATOM 852 CD2 TRP A 144 -10.968 7.387 -1.051 1.00 26.22 C ATOM 853 NE1 TRP A 144 -12.284 8.389 0.464 1.00 28.44 N ATOM 854 CE2 TRP A 144 -10.975 8.186 0.111 1.00 27.65 C ATOM 855 CE3 TRP A 144 -9.738 7.034 -1.619 1.00 29.20 C ATOM 856 CZ2 TRP A 144 -9.799 8.638 0.717 1.00 28.45 C ATOM 857 CZ3 TRP A 144 -8.570 7.485 -1.016 1.00 32.46 C ATOM 858 CH2 TRP A 144 -8.611 8.277 0.139 1.00 31.50 C ATOM 859 HE1 TRP A 144 -12.611 8.942 1.282 1.00 0.00 H ATOM 860 H TRP A 144 -14.063 8.356 -3.479 1.00 0.00 H ATOM 861 N GLY A 145 -13.954 5.738 -5.549 1.00 29.74 N ATOM 862 CA GLY A 145 -14.211 4.778 -6.610 1.00 26.08 C ATOM 863 C GLY A 145 -13.478 5.112 -7.897 1.00 24.13 C ATOM 864 O GLY A 145 -13.006 4.219 -8.606 1.00 26.02 O ATOM 865 H GLY A 145 -14.728 6.327 -5.182 1.00 0.00 H ATOM 866 N ARG A 146 -13.386 6.400 -8.226 1.00 21.84 N ATOM 867 CA ARG A 146 -12.615 6.782 -9.401 1.00 20.75 C ATOM 868 C ARG A 146 -11.129 6.547 -9.173 1.00 23.10 C ATOM 869 O ARG A 146 -10.405 6.212 -10.117 1.00 25.38 O ATOM 870 CB ARG A 146 -12.885 8.243 -9.768 1.00 20.80 C ATOM 871 CG ARG A 146 -14.227 8.426 -10.482 1.00 22.19 C ATOM 872 CD ARG A 146 -14.689 9.869 -10.475 1.00 24.96 C ATOM 873 NE ARG A 146 -16.001 10.010 -11.115 1.00 31.04 N ATOM 874 CZ ARG A 146 -16.834 11.023 -10.895 1.00 51.70 C ATOM 875 NH1 ARG A 146 -18.000 11.068 -11.523 1.00 52.05 N ATOM 876 NH2 ARG A 146 -16.507 11.985 -10.040 1.00 47.93 N ATOM 877 HE ARG A 146 -16.299 9.271 -11.783 1.00 0.00 H ATOM 878 HH12 ARG A 146 -18.653 11.860 -11.352 1.00 0.00 H ATOM 879 HH11 ARG A 146 -18.263 10.312 -12.187 1.00 0.00 H ATOM 880 HH22 ARG A 146 -17.162 12.775 -9.871 1.00 0.00 H ATOM 881 HH21 ARG A 146 -15.596 11.948 -9.539 1.00 0.00 H ATOM 882 H ARG A 146 -13.860 7.125 -7.650 1.00 0.00 H ATOM 883 N ILE A 147 -10.667 6.688 -7.928 1.00 20.29 N ATOM 884 CA ILE A 147 -9.276 6.356 -7.620 1.00 19.51 C ATOM 885 C ILE A 147 -9.035 4.858 -7.788 1.00 25.18 C ATOM 886 O ILE A 147 -8.004 4.441 -8.328 1.00 23.44 O ATOM 887 CB ILE A 147 -8.906 6.842 -6.207 1.00 23.23 C ATOM 888 CG1 ILE A 147 -8.884 8.377 -6.166 1.00 25.30 C ATOM 889 CG2 ILE A 147 -7.556 6.264 -5.769 1.00 23.04 C ATOM 890 CD1 ILE A 147 -8.485 8.946 -4.830 1.00 26.95 C ATOM 891 H ILE A 147 -11.297 7.034 -7.176 1.00 0.00 H ATOM 892 N VAL A 148 -9.982 4.023 -7.345 1.00 22.67 N ATOM 893 CA VAL A 148 -9.842 2.581 -7.560 1.00 21.63 C ATOM 894 C VAL A 148 -9.852 2.264 -9.051 1.00 23.13 C ATOM 895 O VAL A 148 -9.051 1.449 -9.534 1.00 20.94 O ATOM 896 CB VAL A 148 -10.938 1.806 -6.807 1.00 23.53 C ATOM 897 CG1 VAL A 148 -10.915 0.334 -7.200 1.00 25.41 C ATOM 898 CG2 VAL A 148 -10.752 1.953 -5.305 1.00 24.66 C ATOM 899 H VAL A 148 -10.816 4.397 -6.849 1.00 0.00 H ATOM 900 N ALA A 149 -10.744 2.921 -9.807 1.00 20.99 N ATOM 901 CA ALA A 149 -10.761 2.762 -11.259 1.00 20.53 C ATOM 902 C ALA A 149 -9.445 3.197 -11.890 1.00 21.59 C ATOM 903 O ALA A 149 -9.019 2.621 -12.900 1.00 23.99 O ATOM 904 CB ALA A 149 -11.910 3.567 -11.866 1.00 22.71 C ATOM 905 H ALA A 149 -11.434 3.553 -9.353 1.00 0.00 H ATOM 906 N PHE A 150 -8.818 4.236 -11.327 1.00 18.53 N ATOM 907 CA PHE A 150 -7.514 4.698 -11.801 1.00 26.16 C ATOM 908 C PHE A 150 -6.452 3.618 -11.629 1.00 28.75 C ATOM 909 O PHE A 150 -5.617 3.408 -12.522 1.00 22.62 O ATOM 910 CB PHE A 150 -7.152 5.987 -11.053 1.00 21.12 C ATOM 911 CG PHE A 150 -5.681 6.337 -11.048 1.00 21.90 C ATOM 912 CD1 PHE A 150 -5.121 7.068 -12.084 1.00 20.58 C ATOM 913 CD2 PHE A 150 -4.885 6.004 -9.965 1.00 23.02 C ATOM 914 CE1 PHE A 150 -3.770 7.417 -12.062 1.00 23.09 C ATOM 915 CE2 PHE A 150 -3.534 6.350 -9.932 1.00 27.81 C ATOM 916 CZ PHE A 150 -2.982 7.058 -10.983 1.00 23.47 C ATOM 917 H PHE A 150 -9.270 4.729 -10.531 1.00 0.00 H ATOM 918 N PHE A 151 -6.478 2.906 -10.498 1.00 19.58 N ATOM 919 CA PHE A 151 -5.537 1.802 -10.313 1.00 26.63 C ATOM 920 C PHE A 151 -5.812 0.662 -11.287 1.00 33.11 C ATOM 921 O PHE A 151 -4.877 0.096 -11.867 1.00 25.90 O ATOM 922 CB PHE A 151 -5.586 1.298 -8.874 1.00 24.08 C ATOM 923 CG PHE A 151 -4.770 2.120 -7.927 1.00 20.89 C ATOM 924 CD1 PHE A 151 -3.419 1.856 -7.750 1.00 23.64 C ATOM 925 CD2 PHE A 151 -5.344 3.167 -7.225 1.00 21.43 C ATOM 926 CE1 PHE A 151 -2.653 2.616 -6.882 1.00 27.69 C ATOM 927 CE2 PHE A 151 -4.587 3.934 -6.355 1.00 25.95 C ATOM 928 CZ PHE A 151 -3.236 3.654 -6.184 1.00 25.55 C ATOM 929 H PHE A 151 -7.165 3.136 -9.752 1.00 0.00 H ATOM 930 N GLU A 152 -7.086 0.312 -11.487 1.00 20.06 N ATOM 931 CA GLU A 152 -7.407 -0.769 -12.412 1.00 24.65 C ATOM 932 C GLU A 152 -7.033 -0.406 -13.844 1.00 23.90 C ATOM 933 O GLU A 152 -6.592 -1.270 -14.612 1.00 27.41 O ATOM 934 CB GLU A 152 -8.888 -1.130 -12.310 1.00 24.66 C ATOM 935 CG GLU A 152 -9.202 -2.047 -11.139 1.00 33.93 C ATOM 936 CD GLU A 152 -8.671 -3.457 -11.340 1.00 46.69 C ATOM 937 OE1 GLU A 152 -8.919 -4.043 -12.415 1.00 49.82 O ATOM 938 OE2 GLU A 152 -8.000 -3.982 -10.428 1.00 48.31 O ATOM 939 H GLU A 152 -7.848 0.810 -10.984 1.00 0.00 H ATOM 940 N PHE A 153 -7.188 0.865 -14.221 1.00 24.00 N ATOM 941 CA PHE A 153 -6.775 1.271 -15.560 1.00 26.14 C ATOM 942 C PHE A 153 -5.265 1.157 -15.724 1.00 24.08 C ATOM 943 O PHE A 153 -4.782 0.691 -16.764 1.00 21.64 O ATOM 944 CB PHE A 153 -7.230 2.696 -15.860 1.00 28.11 C ATOM 945 CG PHE A 153 -6.632 3.257 -17.116 1.00 29.02 C ATOM 946 CD1 PHE A 153 -6.980 2.737 -18.355 1.00 30.45 C ATOM 947 CD2 PHE A 153 -5.713 4.295 -17.061 1.00 32.28 C ATOM 948 CE1 PHE A 153 -6.424 3.243 -19.519 1.00 37.60 C ATOM 949 CE2 PHE A 153 -5.154 4.809 -18.222 1.00 34.43 C ATOM 950 CZ PHE A 153 -5.509 4.280 -19.452 1.00 35.08 C ATOM 951 H PHE A 153 -7.600 1.560 -13.566 1.00 0.00 H ATOM 952 N GLY A 154 -4.507 1.585 -14.714 1.00 21.39 N ATOM 953 CA GLY A 154 -3.066 1.374 -14.748 1.00 20.29 C ATOM 954 C GLY A 154 -2.706 -0.089 -14.930 1.00 26.56 C ATOM 955 O GLY A 154 -1.794 -0.425 -15.690 1.00 29.87 O ATOM 956 H GLY A 154 -4.944 2.069 -13.903 1.00 0.00 H ATOM 957 N GLY A 155 -3.427 -0.980 -14.244 1.00 25.43 N ATOM 958 CA GLY A 155 -3.191 -2.404 -14.428 1.00 23.91 C ATOM 959 C GLY A 155 -3.449 -2.861 -15.852 1.00 25.43 C ATOM 960 O GLY A 155 -2.662 -3.625 -16.421 1.00 22.86 O ATOM 961 H GLY A 155 -4.157 -0.656 -13.578 1.00 0.00 H ATOM 962 N VAL A 156 -4.557 -2.402 -16.447 1.00 22.53 N ATOM 963 CA VAL A 156 -4.861 -2.743 -17.836 1.00 30.57 C ATOM 964 C VAL A 156 -3.748 -2.270 -18.763 1.00 28.54 C ATOM 965 O VAL A 156 -3.324 -2.996 -19.672 1.00 29.75 O ATOM 966 CB VAL A 156 -6.219 -2.146 -18.247 1.00 30.73 C ATOM 967 CG1 VAL A 156 -6.436 -2.316 -19.741 1.00 35.96 C ATOM 968 CG2 VAL A 156 -7.338 -2.801 -17.467 1.00 31.45 C ATOM 969 H VAL A 156 -5.211 -1.794 -15.914 1.00 0.00 H ATOM 970 N MET A 157 -3.273 -1.038 -18.561 1.00 25.14 N ATOM 971 CA MET A 157 -2.157 -0.524 -19.351 1.00 26.44 C ATOM 972 C MET A 157 -0.937 -1.428 -19.245 1.00 29.33 C ATOM 973 O MET A 157 -0.247 -1.675 -20.243 1.00 26.77 O ATOM 974 CB MET A 157 -1.796 0.886 -18.886 1.00 28.14 C ATOM 975 CG MET A 157 -2.868 1.927 -19.104 1.00 42.27 C ATOM 976 SD MET A 157 -2.622 2.811 -20.652 1.00 45.94 S ATOM 977 CE MET A 157 -0.933 3.372 -20.454 1.00 28.79 C ATOM 978 H MET A 157 -3.704 -0.436 -17.831 1.00 0.00 H ATOM 979 N CYS A 158 -0.641 -1.914 -18.037 1.00 23.33 N ATOM 980 CA CYS A 158 0.544 -2.744 -17.849 1.00 22.91 C ATOM 981 C CYS A 158 0.388 -4.097 -18.537 1.00 29.53 C ATOM 982 O CYS A 158 1.323 -4.580 -19.188 1.00 30.71 O ATOM 983 CB CYS A 158 0.830 -2.922 -16.357 1.00 25.97 C ATOM 984 SG CYS A 158 1.321 -1.396 -15.484 1.00 27.25 S ATOM 985 H CYS A 158 -1.257 -1.700 -17.227 1.00 0.00 H ATOM 986 N VAL A 159 -0.787 -4.720 -18.409 1.00 27.83 N ATOM 987 CA VAL A 159 -1.030 -6.001 -19.073 1.00 27.06 C ATOM 988 C VAL A 159 -0.956 -5.837 -20.586 1.00 32.00 C ATOM 989 O VAL A 159 -0.336 -6.646 -21.289 1.00 31.50 O ATOM 990 CB VAL A 159 -2.389 -6.583 -18.643 1.00 26.50 C ATOM 991 CG1 VAL A 159 -2.812 -7.700 -19.588 1.00 29.06 C ATOM 992 CG2 VAL A 159 -2.321 -7.091 -17.213 1.00 30.09 C ATOM 993 H VAL A 159 -1.537 -4.290 -17.831 1.00 0.00 H ATOM 994 N GLU A 160 -1.586 -4.784 -21.113 1.00 25.31 N ATOM 995 CA GLU A 160 -1.574 -4.594 -22.558 1.00 28.08 C ATOM 996 C GLU A 160 -0.176 -4.276 -23.068 1.00 31.92 C ATOM 997 O GLU A 160 0.151 -4.610 -24.211 1.00 34.79 O ATOM 998 CB GLU A 160 -2.557 -3.496 -22.962 1.00 35.12 C ATOM 999 CG GLU A 160 -4.009 -3.809 -22.604 1.00 52.11 C ATOM 1000 CD GLU A 160 -4.410 -5.247 -22.921 1.00 66.13 C ATOM 1001 OE1 GLU A 160 -4.130 -5.724 -24.042 1.00 64.72 O ATOM 1002 OE2 GLU A 160 -5.008 -5.904 -22.041 1.00 69.79 O ATOM 1003 H GLU A 160 -2.080 -4.106 -20.498 1.00 0.00 H ATOM 1004 N SER A 161 0.659 -3.646 -22.239 1.00 24.06 N ATOM 1005 CA SER A 161 2.037 -3.384 -22.641 1.00 31.25 C ATOM 1006 C SER A 161 2.785 -4.687 -22.887 1.00 31.86 C ATOM 1007 O SER A 161 3.467 -4.842 -23.906 1.00 30.69 O ATOM 1008 CB SER A 161 2.748 -2.548 -21.578 1.00 33.09 C ATOM 1009 OG SER A 161 2.159 -1.261 -21.469 1.00 37.90 O ATOM 1010 HG SER A 161 1.207 -1.356 -21.216 1.00 0.00 H ATOM 1011 H SER A 161 0.326 -3.340 -21.302 1.00 0.00 H ATOM 1012 N VAL A 162 2.656 -5.643 -21.965 1.00 25.98 N ATOM 1013 CA VAL A 162 3.337 -6.924 -22.135 1.00 29.60 C ATOM 1014 C VAL A 162 2.742 -7.695 -23.307 1.00 35.69 C ATOM 1015 O VAL A 162 3.474 -8.304 -24.097 1.00 31.94 O ATOM 1016 CB VAL A 162 3.286 -7.746 -20.834 1.00 28.16 C ATOM 1017 CG1 VAL A 162 4.043 -9.065 -21.010 1.00 33.11 C ATOM 1018 CG2 VAL A 162 3.865 -6.949 -19.679 1.00 27.99 C ATOM 1019 H VAL A 162 2.069 -5.476 -21.123 1.00 0.00 H ATOM 1020 N ASN A 163 1.409 -7.679 -23.445 1.00 28.51 N ATOM 1021 CA ASN A 163 0.775 -8.399 -24.547 1.00 32.83 C ATOM 1022 C ASN A 163 1.263 -7.902 -25.900 1.00 39.11 C ATOM 1023 O ASN A 163 1.265 -8.661 -26.877 1.00 43.35 O ATOM 1024 CB ASN A 163 -0.746 -8.274 -24.462 1.00 33.90 C ATOM 1025 CG ASN A 163 -1.340 -9.123 -23.360 1.00 40.98 C ATOM 1026 OD1 ASN A 163 -0.735 -10.097 -22.913 1.00 41.97 O ATOM 1027 ND2 ASN A 163 -2.541 -8.763 -22.922 1.00 41.81 N ATOM 1028 HD22 ASN A 163 -3.015 -7.932 -23.329 1.00 0.00 H ATOM 1029 HD21 ASN A 163 -3.007 -9.312 -22.172 1.00 0.00 H ATOM 1030 H ASN A 163 0.824 -7.152 -22.765 1.00 0.00 H ATOM 1031 N ARG A 164 1.683 -6.641 -25.978 1.00 42.14 N ATOM 1032 CA ARG A 164 2.203 -6.064 -27.208 1.00 47.21 C ATOM 1033 C ARG A 164 3.728 -5.978 -27.207 1.00 45.22 C ATOM 1034 O ARG A 164 4.298 -5.180 -27.960 1.00 38.97 O ATOM 1035 CB ARG A 164 1.574 -4.689 -27.436 1.00 46.91 C ATOM 1036 CG ARG A 164 0.048 -4.722 -27.385 1.00 57.03 C ATOM 1037 CD ARG A 164 -0.568 -3.332 -27.351 1.00 63.30 C ATOM 1038 NE ARG A 164 -0.471 -2.655 -28.639 1.00 73.33 N ATOM 1039 CZ ARG A 164 -1.324 -2.835 -29.643 1.00 80.11 C ATOM 1040 NH1 ARG A 164 -2.339 -3.678 -29.512 1.00 82.85 N ATOM 1041 NH2 ARG A 164 -1.159 -2.175 -30.781 1.00 83.46 N ATOM 1042 HE ARG A 164 0.315 -1.989 -28.781 1.00 0.00 H ATOM 1043 HH12 ARG A 164 -3.005 -3.817 -30.299 1.00 0.00 H ATOM 1044 HH11 ARG A 164 -2.470 -4.200 -28.622 1.00 0.00 H ATOM 1045 HH22 ARG A 164 -1.827 -2.316 -31.566 1.00 0.00 H ATOM 1046 HH21 ARG A 164 -0.362 -1.516 -30.889 1.00 0.00 H ATOM 1047 H ARG A 164 1.638 -6.045 -25.127 1.00 0.00 H ATOM 1048 N GLU A 165 4.392 -6.787 -26.372 1.00 40.14 N ATOM 1049 CA GLU A 165 5.855 -6.892 -26.337 1.00 34.02 C ATOM 1050 C GLU A 165 6.515 -5.565 -25.983 1.00 34.44 C ATOM 1051 O GLU A 165 7.522 -5.174 -26.579 1.00 36.84 O ATOM 1052 CB GLU A 165 6.411 -7.409 -27.661 1.00 38.52 C ATOM 1053 CG GLU A 165 5.775 -8.666 -28.149 1.00 49.74 C ATOM 1054 CD GLU A 165 6.286 -9.031 -29.513 1.00 66.90 C ATOM 1055 OE1 GLU A 165 7.503 -9.277 -29.647 1.00 69.97 O ATOM 1056 OE2 GLU A 165 5.470 -9.079 -30.457 1.00 73.11 O ATOM 1057 H GLU A 165 3.841 -7.373 -25.713 1.00 0.00 H ATOM 1058 N MET A 166 5.944 -4.863 -25.011 1.00 35.43 N ATOM 1059 CA MET A 166 6.482 -3.593 -24.546 1.00 38.10 C ATOM 1060 C MET A 166 6.583 -3.596 -23.031 1.00 37.78 C ATOM 1061 O MET A 166 6.192 -2.643 -22.354 1.00 32.74 O ATOM 1062 CB MET A 166 5.626 -2.433 -25.042 1.00 45.03 C ATOM 1063 CG MET A 166 5.555 -2.334 -26.554 1.00 52.01 C ATOM 1064 SD MET A 166 4.432 -1.046 -27.116 1.00 60.45 S ATOM 1065 CE MET A 166 2.908 -1.552 -26.328 1.00 65.84 C ATOM 1066 H MET A 166 5.081 -5.234 -24.566 1.00 0.00 H ATOM 1067 N SER A 167 7.112 -4.693 -22.485 1.00 28.03 N ATOM 1068 CA SER A 167 7.287 -4.813 -21.038 1.00 28.22 C ATOM 1069 C SER A 167 7.999 -3.632 -20.387 1.00 29.84 C ATOM 1070 O SER A 167 7.618 -3.271 -19.260 1.00 30.03 O ATOM 1071 CB SER A 167 8.039 -6.112 -20.704 1.00 31.91 C ATOM 1072 OG SER A 167 7.173 -7.231 -20.735 1.00 54.06 O ATOM 1073 HG SER A 167 7.685 -8.049 -20.516 1.00 0.00 H ATOM 1074 H SER A 167 7.406 -5.478 -23.101 1.00 0.00 H ATOM 1075 N PRO A 168 9.021 -3.011 -20.991 1.00 32.22 N ATOM 1076 CA PRO A 168 9.615 -1.826 -20.346 1.00 31.28 C ATOM 1077 C PRO A 168 8.608 -0.728 -20.037 1.00 27.85 C ATOM 1078 O PRO A 168 8.832 0.055 -19.105 1.00 30.59 O ATOM 1079 CB PRO A 168 10.661 -1.366 -21.368 1.00 39.23 C ATOM 1080 CG PRO A 168 11.085 -2.632 -22.035 1.00 40.60 C ATOM 1081 CD PRO A 168 9.827 -3.452 -22.148 1.00 35.80 C ATOM 1082 N LEU A 169 7.494 -0.657 -20.773 1.00 30.39 N ATOM 1083 CA LEU A 169 6.491 0.369 -20.506 1.00 28.71 C ATOM 1084 C LEU A 169 5.856 0.223 -19.131 1.00 30.36 C ATOM 1085 O LEU A 169 5.282 1.193 -18.626 1.00 27.76 O ATOM 1086 CB LEU A 169 5.399 0.340 -21.577 1.00 26.41 C ATOM 1087 CG LEU A 169 5.610 1.236 -22.795 1.00 38.57 C ATOM 1088 CD1 LEU A 169 4.462 1.081 -23.785 1.00 39.19 C ATOM 1089 CD2 LEU A 169 5.757 2.686 -22.356 1.00 40.38 C ATOM 1090 H LEU A 169 7.341 -1.339 -21.543 1.00 0.00 H ATOM 1091 N VAL A 170 5.929 -0.963 -18.519 1.00 23.90 N ATOM 1092 CA VAL A 170 5.362 -1.136 -17.182 1.00 23.05 C ATOM 1093 C VAL A 170 6.078 -0.239 -16.180 1.00 23.08 C ATOM 1094 O VAL A 170 5.455 0.328 -15.274 1.00 23.14 O ATOM 1095 CB VAL A 170 5.418 -2.616 -16.759 1.00 23.49 C ATOM 1096 CG1 VAL A 170 4.882 -2.782 -15.342 1.00 23.67 C ATOM 1097 CG2 VAL A 170 4.622 -3.476 -17.733 1.00 26.03 C ATOM 1098 H VAL A 170 6.390 -1.765 -18.995 1.00 0.00 H ATOM 1099 N ASP A 171 7.398 -0.093 -16.325 1.00 25.61 N ATOM 1100 CA ASP A 171 8.129 0.805 -15.437 1.00 24.86 C ATOM 1101 C ASP A 171 7.658 2.245 -15.608 1.00 24.56 C ATOM 1102 O ASP A 171 7.489 2.972 -14.621 1.00 24.42 O ATOM 1103 CB ASP A 171 9.632 0.683 -15.696 1.00 26.69 C ATOM 1104 CG ASP A 171 10.165 -0.705 -15.379 1.00 38.46 C ATOM 1105 OD1 ASP A 171 9.743 -1.284 -14.354 1.00 38.68 O ATOM 1106 OD2 ASP A 171 11.000 -1.221 -16.152 1.00 41.79 O ATOM 1107 H ASP A 171 7.903 -0.617 -17.068 1.00 0.00 H ATOM 1108 N ASN A 172 7.424 2.669 -16.854 1.00 24.75 N ATOM 1109 CA ASN A 172 6.929 4.021 -17.094 1.00 24.94 C ATOM 1110 C ASN A 172 5.537 4.213 -16.510 1.00 27.75 C ATOM 1111 O ASN A 172 5.258 5.240 -15.881 1.00 24.69 O ATOM 1112 CB ASN A 172 6.908 4.320 -18.589 1.00 25.89 C ATOM 1113 CG ASN A 172 8.275 4.202 -19.225 1.00 34.39 C ATOM 1114 OD1 ASN A 172 8.668 3.130 -19.685 1.00 37.02 O ATOM 1115 ND2 ASN A 172 9.007 5.307 -19.259 1.00 36.49 N ATOM 1116 HD22 ASN A 172 8.633 6.191 -18.858 1.00 0.00 H ATOM 1117 HD21 ASN A 172 9.955 5.290 -19.687 1.00 0.00 H ATOM 1118 H ASN A 172 7.596 2.031 -17.658 1.00 0.00 H ATOM 1119 N ILE A 173 4.649 3.239 -16.716 1.00 24.02 N ATOM 1120 CA ILE A 173 3.275 3.377 -16.236 1.00 21.53 C ATOM 1121 C ILE A 173 3.243 3.481 -14.717 1.00 22.93 C ATOM 1122 O ILE A 173 2.521 4.314 -14.155 1.00 25.26 O ATOM 1123 CB ILE A 173 2.416 2.208 -16.746 1.00 23.05 C ATOM 1124 CG1 ILE A 173 2.283 2.280 -18.267 1.00 23.33 C ATOM 1125 CG2 ILE A 173 1.043 2.242 -16.097 1.00 27.30 C ATOM 1126 CD1 ILE A 173 1.861 0.969 -18.908 1.00 27.72 C ATOM 1127 H ILE A 173 4.936 2.376 -17.221 1.00 0.00 H ATOM 1128 N ALA A 174 4.019 2.638 -14.028 1.00 21.03 N ATOM 1129 CA ALA A 174 4.094 2.721 -12.570 1.00 23.47 C ATOM 1130 C ALA A 174 4.595 4.088 -12.121 1.00 25.88 C ATOM 1131 O ALA A 174 4.105 4.648 -11.129 1.00 21.29 O ATOM 1132 CB ALA A 174 5.000 1.615 -12.025 1.00 26.05 C ATOM 1133 H ALA A 174 4.574 1.918 -14.533 1.00 0.00 H ATOM 1134 N LEU A 175 5.577 4.636 -12.839 1.00 24.78 N ATOM 1135 CA LEU A 175 6.056 5.981 -12.543 1.00 26.12 C ATOM 1136 C LEU A 175 4.946 7.011 -12.725 1.00 26.42 C ATOM 1137 O LEU A 175 4.722 7.862 -11.854 1.00 23.64 O ATOM 1138 CB LEU A 175 7.252 6.311 -13.437 1.00 27.58 C ATOM 1139 CG LEU A 175 7.835 7.712 -13.254 1.00 32.44 C ATOM 1140 CD1 LEU A 175 8.328 7.877 -11.831 1.00 38.07 C ATOM 1141 CD2 LEU A 175 8.956 7.975 -14.253 1.00 35.50 C ATOM 1142 H LEU A 175 6.006 4.098 -13.619 1.00 0.00 H ATOM 1143 N TRP A 176 4.234 6.946 -13.855 1.00 22.96 N ATOM 1144 CA TRP A 176 3.158 7.903 -14.102 1.00 22.92 C ATOM 1145 C TRP A 176 2.080 7.807 -13.030 1.00 21.61 C ATOM 1146 O TRP A 176 1.582 8.829 -12.549 1.00 22.31 O ATOM 1147 CB TRP A 176 2.556 7.670 -15.490 1.00 23.10 C ATOM 1148 CG TRP A 176 3.558 7.747 -16.598 1.00 24.56 C ATOM 1149 CD1 TRP A 176 4.748 8.414 -16.583 1.00 26.11 C ATOM 1150 CD2 TRP A 176 3.463 7.122 -17.880 1.00 26.35 C ATOM 1151 NE1 TRP A 176 5.402 8.245 -17.785 1.00 30.65 N ATOM 1152 CE2 TRP A 176 4.631 7.453 -18.596 1.00 27.98 C ATOM 1153 CE3 TRP A 176 2.502 6.310 -18.493 1.00 29.36 C ATOM 1154 CZ2 TRP A 176 4.861 7.006 -19.893 1.00 30.24 C ATOM 1155 CZ3 TRP A 176 2.736 5.867 -19.779 1.00 25.37 C ATOM 1156 CH2 TRP A 176 3.906 6.212 -20.464 1.00 33.23 C ATOM 1157 HE1 TRP A 176 6.326 8.651 -18.035 1.00 0.00 H ATOM 1158 H TRP A 176 4.447 6.212 -14.560 1.00 0.00 H ATOM 1159 N MET A 177 1.713 6.584 -12.636 1.00 21.87 N ATOM 1160 CA MET A 177 0.716 6.416 -11.580 1.00 21.59 C ATOM 1161 C MET A 177 1.178 7.051 -10.274 1.00 28.08 C ATOM 1162 O MET A 177 0.400 7.729 -9.593 1.00 24.25 O ATOM 1163 CB MET A 177 0.414 4.932 -11.377 1.00 20.51 C ATOM 1164 CG MET A 177 -0.304 4.283 -12.545 1.00 26.21 C ATOM 1165 SD MET A 177 -0.492 2.507 -12.292 1.00 24.41 S ATOM 1166 CE MET A 177 -1.595 2.476 -10.875 1.00 22.91 C ATOM 1167 H MET A 177 2.139 5.747 -13.083 1.00 0.00 H ATOM 1168 N THR A 178 2.448 6.851 -9.917 1.00 20.64 N ATOM 1169 CA THR A 178 2.985 7.431 -8.687 1.00 21.52 C ATOM 1170 C THR A 178 3.001 8.954 -8.752 1.00 22.53 C ATOM 1171 O THR A 178 2.613 9.631 -7.790 1.00 22.75 O ATOM 1172 CB THR A 178 4.398 6.899 -8.433 1.00 27.55 C ATOM 1173 OG1 THR A 178 4.365 5.468 -8.388 1.00 25.38 O ATOM 1174 CG2 THR A 178 4.937 7.428 -7.113 1.00 31.40 C ATOM 1175 HG1 THR A 178 4.030 5.119 -9.252 1.00 0.00 H ATOM 1176 H THR A 178 3.065 6.274 -10.523 1.00 0.00 H ATOM 1177 N GLU A 179 3.475 9.513 -9.871 1.00 23.50 N ATOM 1178 CA GLU A 179 3.504 10.969 -10.009 1.00 25.02 C ATOM 1179 C GLU A 179 2.101 11.546 -9.942 1.00 24.21 C ATOM 1180 O GLU A 179 1.899 12.666 -9.457 1.00 25.28 O ATOM 1181 CB GLU A 179 4.164 11.372 -11.329 1.00 38.53 C ATOM 1182 CG GLU A 179 5.628 10.969 -11.465 1.00 61.76 C ATOM 1183 CD GLU A 179 6.178 11.242 -12.856 1.00 84.00 C ATOM 1184 OE1 GLU A 179 5.378 11.279 -13.817 1.00 88.49 O ATOM 1185 OE2 GLU A 179 7.407 11.423 -12.990 1.00 91.31 O ATOM 1186 H GLU A 179 3.824 8.911 -10.644 1.00 0.00 H ATOM 1187 N TYR A 180 1.120 10.780 -10.404 1.00 25.55 N ATOM 1188 CA TYR A 180 -0.257 11.245 -10.388 1.00 29.36 C ATOM 1189 C TYR A 180 -0.800 11.324 -8.964 1.00 23.26 C ATOM 1190 O TYR A 180 -1.428 12.320 -8.579 1.00 22.36 O ATOM 1191 CB TYR A 180 -1.103 10.321 -11.252 1.00 35.04 C ATOM 1192 CG TYR A 180 -2.320 11.006 -11.742 1.00 45.14 C ATOM 1193 CD1 TYR A 180 -2.281 11.803 -12.877 1.00 46.23 C ATOM 1194 CD2 TYR A 180 -3.508 10.893 -11.049 1.00 60.18 C ATOM 1195 CE1 TYR A 180 -3.405 12.447 -13.315 1.00 59.13 C ATOM 1196 CE2 TYR A 180 -4.631 11.528 -11.474 1.00 69.73 C ATOM 1197 CZ TYR A 180 -4.575 12.311 -12.596 1.00 72.75 C ATOM 1198 OH TYR A 180 -5.728 12.917 -13.002 1.00 80.94 O ATOM 1199 HH TYR A 180 -5.550 13.449 -13.818 1.00 0.00 H ATOM 1200 H TYR A 180 1.339 9.836 -10.782 1.00 0.00 H ATOM 1201 N LEU A 181 -0.571 10.280 -8.167 1.00 20.52 N ATOM 1202 CA LEU A 181 -0.933 10.327 -6.753 1.00 20.83 C ATOM 1203 C LEU A 181 -0.154 11.410 -6.014 1.00 28.20 C ATOM 1204 O LEU A 181 -0.701 12.099 -5.144 1.00 26.92 O ATOM 1205 CB LEU A 181 -0.684 8.962 -6.111 1.00 19.57 C ATOM 1206 CG LEU A 181 -1.492 7.805 -6.691 1.00 18.43 C ATOM 1207 CD1 LEU A 181 -0.892 6.488 -6.253 1.00 25.11 C ATOM 1208 CD2 LEU A 181 -2.945 7.904 -6.240 1.00 21.67 C ATOM 1209 H LEU A 181 -0.130 9.423 -8.557 1.00 0.00 H ATOM 1210 N ASN A 182 1.125 11.576 -6.347 1.00 23.13 N ATOM 1211 CA ASN A 182 1.973 12.495 -5.593 1.00 25.16 C ATOM 1212 C ASN A 182 1.637 13.956 -5.865 1.00 28.84 C ATOM 1213 O ASN A 182 1.848 14.807 -4.993 1.00 29.76 O ATOM 1214 CB ASN A 182 3.444 12.249 -5.928 1.00 26.69 C ATOM 1215 CG ASN A 182 3.990 10.989 -5.290 1.00 26.35 C ATOM 1216 OD1 ASN A 182 3.407 10.447 -4.350 1.00 28.88 O ATOM 1217 ND2 ASN A 182 5.133 10.529 -5.787 1.00 29.67 N ATOM 1218 HD22 ASN A 182 5.589 11.020 -6.582 1.00 0.00 H ATOM 1219 HD21 ASN A 182 5.571 9.678 -5.381 1.00 0.00 H ATOM 1220 H ASN A 182 1.522 11.047 -7.150 1.00 0.00 H ATOM 1221 N ARG A 183 1.149 14.271 -7.065 1.00 26.41 N ATOM 1222 CA ARG A 183 0.975 15.655 -7.491 1.00 28.28 C ATOM 1223 C ARG A 183 -0.471 16.006 -7.797 1.00 41.21 C ATOM 1224 O ARG A 183 -0.976 17.018 -7.297 1.00 45.50 O ATOM 1225 CB ARG A 183 1.854 15.932 -8.719 1.00 33.63 C ATOM 1226 CG ARG A 183 3.335 15.890 -8.409 1.00 37.47 C ATOM 1227 CD ARG A 183 4.177 15.869 -9.670 1.00 44.88 C ATOM 1228 NE ARG A 183 5.527 15.398 -9.384 1.00 48.43 N ATOM 1229 CZ ARG A 183 6.602 16.178 -9.331 1.00 51.77 C ATOM 1230 NH1 ARG A 183 6.494 17.478 -9.561 1.00 50.13 N ATOM 1231 NH2 ARG A 183 7.788 15.652 -9.056 1.00 58.46 N ATOM 1232 HE ARG A 183 5.658 14.381 -9.209 1.00 0.00 H ATOM 1233 HH12 ARG A 183 7.337 18.085 -9.519 1.00 0.00 H ATOM 1234 HH11 ARG A 183 5.566 17.891 -9.784 1.00 0.00 H ATOM 1235 HH22 ARG A 183 8.630 16.261 -9.014 1.00 0.00 H ATOM 1236 HH21 ARG A 183 7.876 14.630 -8.882 1.00 0.00 H ATOM 1237 H ARG A 183 0.884 13.506 -7.718 1.00 0.00 H ATOM 1238 N HIS A 184 -1.158 15.201 -8.607 1.00 28.72 N ATOM 1239 CA HIS A 184 -2.500 15.567 -9.045 1.00 30.21 C ATOM 1240 C HIS A 184 -3.544 15.246 -7.982 1.00 28.84 C ATOM 1241 O HIS A 184 -4.430 16.066 -7.711 1.00 35.44 O ATOM 1242 CB HIS A 184 -2.847 14.846 -10.351 1.00 34.14 C ATOM 1243 CG HIS A 184 -1.910 15.141 -11.483 1.00 44.10 C ATOM 1244 ND1 HIS A 184 -0.549 14.943 -11.397 1.00 49.48 N ATOM 1245 CD2 HIS A 184 -2.144 15.603 -12.734 1.00 48.45 C ATOM 1246 CE1 HIS A 184 0.017 15.280 -12.542 1.00 50.68 C ATOM 1247 NE2 HIS A 184 -0.929 15.684 -13.371 1.00 49.53 N ATOM 1248 H HIS A 184 -0.735 14.307 -8.928 1.00 0.00 H ATOM 1249 N LEU A 185 -3.453 14.064 -7.372 1.00 27.62 N ATOM 1250 CA LEU A 185 -4.463 13.581 -6.437 1.00 25.71 C ATOM 1251 C LEU A 185 -4.102 13.800 -4.977 1.00 30.75 C ATOM 1252 O LEU A 185 -4.931 13.509 -4.107 1.00 24.66 O ATOM 1253 CB LEU A 185 -4.711 12.084 -6.653 1.00 19.90 C ATOM 1254 CG LEU A 185 -5.360 11.661 -7.970 1.00 33.95 C ATOM 1255 CD1 LEU A 185 -5.251 10.158 -8.139 1.00 24.87 C ATOM 1256 CD2 LEU A 185 -6.815 12.094 -7.991 1.00 33.15 C ATOM 1257 H LEU A 185 -2.629 13.462 -7.571 1.00 0.00 H ATOM 1258 N HIS A 186 -2.899 14.305 -4.691 1.00 23.72 N ATOM 1259 CA HIS A 186 -2.405 14.330 -3.318 1.00 26.96 C ATOM 1260 C HIS A 186 -3.310 15.152 -2.404 1.00 26.14 C ATOM 1261 O HIS A 186 -3.699 14.692 -1.324 1.00 29.68 O ATOM 1262 CB HIS A 186 -0.982 14.880 -3.282 1.00 33.13 C ATOM 1263 CG HIS A 186 -0.460 15.082 -1.896 1.00 49.22 C ATOM 1264 ND1 HIS A 186 0.102 14.062 -1.158 1.00 48.71 N ATOM 1265 CD2 HIS A 186 -0.439 16.179 -1.102 1.00 52.81 C ATOM 1266 CE1 HIS A 186 0.460 14.527 0.026 1.00 53.37 C ATOM 1267 NE2 HIS A 186 0.142 15.808 0.085 1.00 55.18 N ATOM 1268 H HIS A 186 -2.307 14.685 -5.457 1.00 0.00 H ATOM 1269 N THR A 187 -3.634 16.383 -2.807 1.00 27.39 N ATOM 1270 CA THR A 187 -4.406 17.254 -1.925 1.00 29.32 C ATOM 1271 C THR A 187 -5.785 16.669 -1.635 1.00 27.57 C ATOM 1272 O THR A 187 -6.248 16.700 -0.488 1.00 27.80 O ATOM 1273 CB THR A 187 -4.520 18.653 -2.531 1.00 30.62 C ATOM 1274 OG1 THR A 187 -3.213 19.239 -2.616 1.00 39.14 O ATOM 1275 CG2 THR A 187 -5.404 19.536 -1.665 1.00 36.28 C ATOM 1276 HG1 THR A 187 -2.636 18.674 -3.189 1.00 0.00 H ATOM 1277 H THR A 187 -3.338 16.720 -3.745 1.00 0.00 H ATOM 1278 N TRP A 188 -6.449 16.110 -2.652 1.00 25.40 N ATOM 1279 CA TRP A 188 -7.763 15.517 -2.414 1.00 24.56 C ATOM 1280 C TRP A 188 -7.673 14.347 -1.442 1.00 30.09 C ATOM 1281 O TRP A 188 -8.499 14.220 -0.528 1.00 24.09 O ATOM 1282 CB TRP A 188 -8.399 15.061 -3.726 1.00 24.34 C ATOM 1283 CG TRP A 188 -9.826 14.612 -3.541 1.00 24.00 C ATOM 1284 CD1 TRP A 188 -10.949 15.374 -3.701 1.00 26.86 C ATOM 1285 CD2 TRP A 188 -10.281 13.309 -3.134 1.00 23.09 C ATOM 1286 NE1 TRP A 188 -12.072 14.626 -3.429 1.00 24.28 N ATOM 1287 CE2 TRP A 188 -11.691 13.358 -3.079 1.00 29.52 C ATOM 1288 CE3 TRP A 188 -9.637 12.110 -2.816 1.00 26.14 C ATOM 1289 CZ2 TRP A 188 -12.464 12.256 -2.718 1.00 24.27 C ATOM 1290 CZ3 TRP A 188 -10.407 11.014 -2.457 1.00 25.78 C ATOM 1291 CH2 TRP A 188 -11.807 11.096 -2.414 1.00 25.41 C ATOM 1292 HE1 TRP A 188 -13.053 14.969 -3.481 1.00 0.00 H ATOM 1293 H TRP A 188 -6.033 16.097 -3.605 1.00 0.00 H ATOM 1294 N ILE A 189 -6.673 13.480 -1.620 1.00 27.83 N ATOM 1295 CA ILE A 189 -6.548 12.302 -0.766 1.00 23.41 C ATOM 1296 C ILE A 189 -6.291 12.713 0.680 1.00 21.67 C ATOM 1297 O ILE A 189 -6.935 12.213 1.611 1.00 26.90 O ATOM 1298 CB ILE A 189 -5.443 11.369 -1.297 1.00 24.59 C ATOM 1299 CG1 ILE A 189 -5.909 10.659 -2.573 1.00 21.28 C ATOM 1300 CG2 ILE A 189 -5.033 10.360 -0.232 1.00 28.45 C ATOM 1301 CD1 ILE A 189 -4.810 9.841 -3.254 1.00 24.18 C ATOM 1302 H ILE A 189 -5.976 13.645 -2.374 1.00 0.00 H ATOM 1303 N GLN A 190 -5.344 13.634 0.889 1.00 21.90 N ATOM 1304 CA GLN A 190 -5.055 14.114 2.237 1.00 26.13 C ATOM 1305 C GLN A 190 -6.279 14.771 2.864 1.00 29.12 C ATOM 1306 O GLN A 190 -6.628 14.495 4.018 1.00 27.93 O ATOM 1307 CB GLN A 190 -3.888 15.101 2.199 1.00 31.63 C ATOM 1308 CG GLN A 190 -2.556 14.472 1.843 1.00 48.60 C ATOM 1309 CD GLN A 190 -1.864 13.871 3.049 1.00 63.84 C ATOM 1310 OE1 GLN A 190 -2.184 14.204 4.191 1.00 66.20 O ATOM 1311 NE2 GLN A 190 -0.910 12.982 2.802 1.00 69.17 N ATOM 1312 HE22 GLN A 190 -0.674 12.732 1.821 1.00 0.00 H ATOM 1313 HE21 GLN A 190 -0.399 12.536 3.590 1.00 0.00 H ATOM 1314 H GLN A 190 -4.808 14.012 0.082 1.00 0.00 H ATOM 1315 N ASP A 191 -6.942 15.653 2.115 1.00 25.89 N ATOM 1316 CA ASP A 191 -8.023 16.440 2.694 1.00 26.96 C ATOM 1317 C ASP A 191 -9.272 15.615 2.947 1.00 29.68 C ATOM 1318 O ASP A 191 -10.129 16.033 3.734 1.00 36.45 O ATOM 1319 CB ASP A 191 -8.346 17.623 1.787 1.00 26.21 C ATOM 1320 CG ASP A 191 -7.301 18.716 1.866 1.00 32.02 C ATOM 1321 OD1 ASP A 191 -6.325 18.548 2.629 1.00 33.56 O ATOM 1322 OD2 ASP A 191 -7.454 19.749 1.179 1.00 37.86 O ATOM 1323 H ASP A 191 -6.687 15.779 1.115 1.00 0.00 H ATOM 1324 N ASN A 192 -9.396 14.457 2.307 1.00 27.76 N ATOM 1325 CA ASN A 192 -10.522 13.569 2.538 1.00 27.20 C ATOM 1326 C ASN A 192 -10.162 12.410 3.458 1.00 29.45 C ATOM 1327 O ASN A 192 -10.876 11.403 3.493 1.00 26.39 O ATOM 1328 CB ASN A 192 -11.075 13.076 1.203 1.00 28.72 C ATOM 1329 CG ASN A 192 -11.735 14.193 0.414 1.00 39.68 C ATOM 1330 OD1 ASN A 192 -12.920 14.475 0.591 1.00 50.28 O ATOM 1331 ND2 ASN A 192 -10.963 14.854 -0.441 1.00 35.42 N ATOM 1332 HD22 ASN A 192 -9.966 14.582 -0.559 1.00 0.00 H ATOM 1333 HD21 ASN A 192 -11.355 15.644 -0.992 1.00 0.00 H ATOM 1334 H ASN A 192 -8.666 14.178 1.621 1.00 0.00 H ATOM 1335 N GLY A 193 -9.081 12.543 4.223 1.00 28.50 N ATOM 1336 CA GLY A 193 -8.768 11.612 5.285 1.00 29.09 C ATOM 1337 C GLY A 193 -7.656 10.634 4.982 1.00 32.14 C ATOM 1338 O GLY A 193 -7.372 9.773 5.823 1.00 32.07 O ATOM 1339 H GLY A 193 -8.440 13.343 4.051 1.00 0.00 H ATOM 1340 N GLY A 194 -7.026 10.734 3.816 1.00 30.45 N ATOM 1341 CA GLY A 194 -5.924 9.862 3.479 1.00 31.96 C ATOM 1342 C GLY A 194 -6.363 8.424 3.269 1.00 32.09 C ATOM 1343 O GLY A 194 -7.548 8.086 3.256 1.00 28.82 O ATOM 1344 H GLY A 194 -7.332 11.455 3.132 1.00 0.00 H ATOM 1345 N TRP A 195 -5.359 7.561 3.103 1.00 30.44 N ATOM 1346 CA TRP A 195 -5.644 6.145 2.916 1.00 28.55 C ATOM 1347 C TRP A 195 -6.282 5.526 4.149 1.00 28.84 C ATOM 1348 O TRP A 195 -6.948 4.490 4.032 1.00 35.41 O ATOM 1349 CB TRP A 195 -4.367 5.399 2.532 1.00 27.79 C ATOM 1350 CG TRP A 195 -3.922 5.758 1.160 1.00 30.03 C ATOM 1351 CD1 TRP A 195 -2.853 6.535 0.818 1.00 32.01 C ATOM 1352 CD2 TRP A 195 -4.561 5.390 -0.067 1.00 26.74 C ATOM 1353 NE1 TRP A 195 -2.776 6.656 -0.549 1.00 34.03 N ATOM 1354 CE2 TRP A 195 -3.815 5.964 -1.116 1.00 30.98 C ATOM 1355 CE3 TRP A 195 -5.687 4.620 -0.382 1.00 32.22 C ATOM 1356 CZ2 TRP A 195 -4.158 5.792 -2.458 1.00 37.06 C ATOM 1357 CZ3 TRP A 195 -6.027 4.453 -1.716 1.00 40.34 C ATOM 1358 CH2 TRP A 195 -5.265 5.037 -2.736 1.00 38.50 C ATOM 1359 HE1 TRP A 195 -2.048 7.186 -1.069 1.00 0.00 H ATOM 1360 H TRP A 195 -4.375 7.899 3.107 1.00 0.00 H ATOM 1361 N ASP A 196 -6.112 6.139 5.322 1.00 29.28 N ATOM 1362 CA ASP A 196 -6.761 5.609 6.517 1.00 34.76 C ATOM 1363 C ASP A 196 -8.278 5.715 6.410 1.00 32.92 C ATOM 1364 O ASP A 196 -8.999 4.809 6.844 1.00 35.44 O ATOM 1365 CB ASP A 196 -6.257 6.334 7.762 1.00 38.74 C ATOM 1366 CG ASP A 196 -6.745 5.691 9.046 1.00 43.55 C ATOM 1367 OD1 ASP A 196 -6.447 4.496 9.261 1.00 45.36 O ATOM 1368 OD2 ASP A 196 -7.424 6.376 9.839 1.00 46.33 O ATOM 1369 H ASP A 196 -5.519 6.991 5.384 1.00 0.00 H ATOM 1370 N ALA A 197 -8.781 6.812 5.837 1.00 31.19 N ATOM 1371 CA ALA A 197 -10.220 6.927 5.616 1.00 32.11 C ATOM 1372 C ALA A 197 -10.698 5.903 4.595 1.00 35.02 C ATOM 1373 O ALA A 197 -11.756 5.288 4.771 1.00 24.22 O ATOM 1374 CB ALA A 197 -10.575 8.342 5.161 1.00 29.17 C ATOM 1375 H ALA A 197 -8.147 7.585 5.548 1.00 0.00 H ATOM 1376 N PHE A 198 -9.923 5.700 3.526 1.00 27.94 N ATOM 1377 CA PHE A 198 -10.257 4.674 2.541 1.00 27.33 C ATOM 1378 C PHE A 198 -10.372 3.301 3.194 1.00 31.45 C ATOM 1379 O PHE A 198 -11.301 2.538 2.898 1.00 29.25 O ATOM 1380 CB PHE A 198 -9.201 4.670 1.432 1.00 31.11 C ATOM 1381 CG PHE A 198 -9.380 3.576 0.416 1.00 30.07 C ATOM 1382 CD1 PHE A 198 -10.344 3.679 -0.577 1.00 24.60 C ATOM 1383 CD2 PHE A 198 -8.566 2.453 0.438 1.00 29.04 C ATOM 1384 CE1 PHE A 198 -10.506 2.673 -1.517 1.00 29.44 C ATOM 1385 CE2 PHE A 198 -8.720 1.445 -0.500 1.00 35.09 C ATOM 1386 CZ PHE A 198 -9.693 1.553 -1.477 1.00 30.46 C ATOM 1387 H PHE A 198 -9.070 6.280 3.393 1.00 0.00 H ATOM 1388 N VAL A 199 -9.448 2.977 4.101 1.00 31.04 N ATOM 1389 CA VAL A 199 -9.501 1.684 4.774 1.00 31.13 C ATOM 1390 C VAL A 199 -10.724 1.598 5.679 1.00 36.28 C ATOM 1391 O VAL A 199 -11.405 0.567 5.725 1.00 35.61 O ATOM 1392 CB VAL A 199 -8.200 1.430 5.553 1.00 37.34 C ATOM 1393 CG1 VAL A 199 -8.336 0.183 6.413 1.00 44.03 C ATOM 1394 CG2 VAL A 199 -7.024 1.294 4.591 1.00 31.34 C ATOM 1395 H VAL A 199 -8.687 3.649 4.329 1.00 0.00 H ATOM 1396 N GLU A 200 -11.030 2.673 6.412 1.00 30.73 N ATOM 1397 CA GLU A 200 -12.195 2.634 7.290 1.00 37.12 C ATOM 1398 C GLU A 200 -13.490 2.510 6.498 1.00 41.21 C ATOM 1399 O GLU A 200 -14.429 1.844 6.948 1.00 46.36 O ATOM 1400 CB GLU A 200 -12.241 3.874 8.187 1.00 34.71 C ATOM 1401 CG GLU A 200 -13.548 4.011 8.968 1.00 50.33 C ATOM 1402 CD GLU A 200 -13.352 4.535 10.375 1.00 68.53 C ATOM 1403 OE1 GLU A 200 -13.858 5.635 10.682 1.00 74.52 O ATOM 1404 OE2 GLU A 200 -12.693 3.842 11.178 1.00 76.92 O ATOM 1405 H GLU A 200 -10.443 3.530 6.357 1.00 0.00 H ATOM 1406 N LEU A 201 -13.555 3.128 5.319 1.00 32.97 N ATOM 1407 CA LEU A 201 -14.778 3.070 4.525 1.00 31.15 C ATOM 1408 C LEU A 201 -14.965 1.715 3.856 1.00 37.45 C ATOM 1409 O LEU A 201 -16.067 1.162 3.881 1.00 37.26 O ATOM 1410 CB LEU A 201 -14.777 4.171 3.468 1.00 27.72 C ATOM 1411 CG LEU A 201 -14.892 5.611 3.966 1.00 26.12 C ATOM 1412 CD1 LEU A 201 -14.630 6.580 2.826 1.00 23.51 C ATOM 1413 CD2 LEU A 201 -16.266 5.844 4.577 1.00 28.37 C ATOM 1414 H LEU A 201 -12.731 3.654 4.963 1.00 0.00 H ATOM 1415 N TYR A 202 -13.907 1.156 3.269 1.00 35.53 N ATOM 1416 CA TYR A 202 -14.054 -0.009 2.412 1.00 35.87 C ATOM 1417 C TYR A 202 -13.222 -1.210 2.841 1.00 43.59 C ATOM 1418 O TYR A 202 -13.261 -2.239 2.158 1.00 47.55 O ATOM 1419 CB TYR A 202 -13.711 0.375 0.966 1.00 28.28 C ATOM 1420 CG TYR A 202 -14.395 1.648 0.520 1.00 31.08 C ATOM 1421 CD1 TYR A 202 -15.767 1.686 0.310 1.00 35.10 C ATOM 1422 CD2 TYR A 202 -13.671 2.816 0.323 1.00 25.91 C ATOM 1423 CE1 TYR A 202 -16.397 2.851 -0.088 1.00 29.06 C ATOM 1424 CE2 TYR A 202 -14.292 3.984 -0.076 1.00 27.94 C ATOM 1425 CZ TYR A 202 -15.654 3.996 -0.280 1.00 32.68 C ATOM 1426 OH TYR A 202 -16.271 5.159 -0.679 1.00 38.50 O ATOM 1427 HH TYR A 202 -17.243 4.998 -0.780 1.00 0.00 H ATOM 1428 H TYR A 202 -12.962 1.560 3.427 1.00 0.00 H ATOM 1429 N GLY A 203 -12.491 -1.128 3.949 1.00 44.96 N ATOM 1430 CA GLY A 203 -11.665 -2.238 4.395 1.00 48.24 C ATOM 1431 C GLY A 203 -12.432 -3.347 5.085 1.00 53.57 C ATOM 1432 O GLY A 203 -13.641 -3.246 5.288 1.00 63.34 O ATOM 1433 H GLY A 203 -12.511 -0.251 4.508 1.00 0.00 H TER 1434 GLY A 203 HETATM 1435 O HOH 1 -20.343 -11.061 -10.566 1.00 55.01 O HETATM 1436 O HOH 2 -18.507 5.196 -0.329 1.00 53.55 O HETATM 1437 O HOH 3 -5.546 13.804 -24.829 1.00 47.99 O HETATM 1438 O HOH 4 0.997 16.493 2.379 1.00 50.94 O HETATM 1439 O HOH 5 -9.350 13.194 -21.721 1.00 48.22 O HETATM 1440 O HOH 6 -19.857 1.518 -16.760 1.00 45.51 O HETATM 1441 O HOH 7 -3.212 -14.439 -17.897 1.00 36.70 O HETATM 1442 O HOH 8 -3.831 18.975 1.857 1.00 43.04 O HETATM 1443 O HOH 9 5.852 -7.973 -10.558 1.00 38.76 O HETATM 1444 O HOH 10 -23.132 0.318 -11.934 1.00 33.86 O HETATM 1445 O HOH 11 -9.687 15.540 -15.081 1.00 35.46 O HETATM 1446 O HOH 12 8.769 2.575 -12.309 1.00 39.72 O HETATM 1447 O HOH 13 12.066 0.030 -18.265 1.00 53.01 O HETATM 1448 O HOH 14 -4.143 8.420 6.189 1.00 44.88 O HETATM 1449 O HOH 15 -13.174 10.146 2.744 1.00 24.43 O HETATM 1450 O HOH 16 4.980 -9.942 -11.934 1.00 43.04 O HETATM 1451 O HOH 17 -5.938 16.746 -5.267 1.00 31.97 O HETATM 1452 O HOH 18 -1.018 11.284 -2.230 1.00 46.85 O HETATM 1453 O HOH 19 4.821 7.457 -24.351 1.00 36.70 O HETATM 1454 O HOH 20 -1.238 -1.534 -2.934 1.00 24.33 O HETATM 1455 O HOH 21 5.873 -5.499 -4.672 1.00 60.44 O HETATM 1456 O HOH 22 3.891 -10.606 -25.690 1.00 27.70 O HETATM 1457 O HOH 23 7.610 5.214 3.422 1.00 40.60 O HETATM 1458 O HOH 24 -22.248 -4.087 -14.534 1.00 40.79 O HETATM 1459 O HOH 25 -2.966 17.726 -5.399 1.00 41.14 O HETATM 1460 O HOH 26 -6.059 -3.906 -13.698 1.00 45.00 O HETATM 1461 O HOH 27 -18.375 5.129 -16.060 1.00 47.97 O HETATM 1462 O HOH 28 -2.341 -3.764 -3.272 1.00 28.25 O HETATM 1463 O HOH 29 1.533 -7.370 -3.854 1.00 45.73 O HETATM 1464 O HOH 30 9.243 -4.032 -16.935 1.00 49.86 O HETATM 1465 O HOH 31 -0.888 -5.621 -3.205 1.00 52.10 O HETATM 1466 O HOH 32 8.318 8.255 -18.577 1.00 38.61 O HETATM 1467 O HOH 33 2.218 2.581 2.623 1.00 46.33 O HETATM 1468 O HOH 34 -2.669 9.056 3.208 1.00 37.59 O HETATM 1469 O HOH 35 0.283 8.753 6.989 1.00 55.61 O HETATM 1470 O HOH 36 13.641 -5.429 -16.525 1.00 45.75 O HETATM 1471 C11 LBM A 37 -11.760 0.605 -17.592 1.00 -0.06 C HETATM 1472 C12 LBM A 37 -12.524 1.691 -17.980 1.00 -0.07 C HETATM 1473 C7 LBM A 37 -12.549 2.834 -17.195 1.00 -0.05 C HETATM 1474 C5 LBM A 37 -13.352 4.013 -17.614 1.00 -0.05 C HETATM 1475 C4 LBM A 37 -14.656 4.142 -17.281 1.00 -0.01 C HETATM 1476 C13 LBM A 37 -15.300 3.065 -16.455 1.00 0.00 C HETATM 1477 N LBM A 37 -16.015 3.626 -15.308 1.00 0.25 N HETATM 1478 C14 LBM A 37 -15.098 4.325 -14.396 1.00 -0.01 C HETATM 1479 C15 LBM A 37 -15.858 4.926 -13.224 1.00 0.07 C HETATM 1480 N1 LBM A 37 -16.596 3.883 -12.509 1.00 -0.30 N HETATM 1481 C16 LBM A 37 -17.490 3.149 -13.407 1.00 0.07 C HETATM 1482 C17 LBM A 37 -16.707 2.567 -14.564 1.00 -0.01 C HETATM 1483 H11 LBM A 37 -17.398 2.043 -15.241 1.00 0.08 H HETATM 1484 H12 LBM A 37 -15.964 1.855 -14.175 1.00 0.08 H HETATM 1485 H9 LBM A 37 -17.975 2.334 -12.850 1.00 0.06 H HETATM 1486 H10 LBM A 37 -18.257 3.835 -13.796 1.00 0.06 H HETATM 1487 C18 LBM A 37 -17.034 4.087 -11.204 1.00 0.04 C HETATM 1488 C19 LBM A 37 -17.731 3.088 -10.527 1.00 -0.01 C HETATM 1489 C20 LBM A 37 -18.142 3.279 -9.225 1.00 0.12 C HETATM 1490 C21 LBM A 37 -17.889 4.468 -8.544 1.00 0.07 C HETATM 1491 C22 LBM A 37 -17.198 5.468 -9.228 1.00 -0.06 C HETATM 1492 C23 LBM A 37 -16.776 5.282 -10.535 1.00 -0.05 C HETATM 1493 H15 LBM A 37 -16.239 6.075 -11.043 1.00 0.04 H HETATM 1494 H14 LBM A 37 -16.987 6.407 -8.729 1.00 0.06 H HETATM 1495 C24 LBM A 37 -18.312 4.712 -7.130 1.00 0.21 C HETATM 1496 O LBM A 37 -19.330 4.208 -6.665 1.00 -0.39 O HETATM 1497 N2 LBM A 37 -17.464 5.463 -6.336 1.00 -0.16 N HETATM 1498 S LBM A 37 -17.594 5.521 -4.702 1.00 0.09 S HETATM 1499 C25 LBM A 37 -17.198 3.900 -4.137 1.00 0.11 C HETATM 1500 C26 LBM A 37 -15.875 3.589 -3.871 1.00 -0.00 C HETATM 1501 C27 LBM A 37 -15.555 2.310 -3.475 1.00 0.22 C HETATM 1502 C28 LBM A 37 -16.544 1.299 -3.321 1.00 0.08 C HETATM 1503 C29 LBM A 37 -17.861 1.668 -3.597 1.00 -0.03 C HETATM 1504 C30 LBM A 37 -18.194 2.949 -3.998 1.00 -0.04 C HETATM 1505 H28 LBM A 37 -19.227 3.206 -4.202 1.00 0.06 H HETATM 1506 H17 LBM A 37 -18.647 0.928 -3.494 1.00 0.05 H HETATM 1507 N3 LBM A 37 -16.239 0.024 -2.919 1.00 -0.32 N HETATM 1508 C31 LBM A 37 -17.219 -1.036 -2.751 1.00 0.03 C HETATM 1509 C32 LBM A 37 -16.657 -2.083 -1.806 1.00 -0.02 C HETATM 1510 C33 LBM A 37 -17.633 -3.232 -1.588 1.00 -0.02 C HETATM 1511 C34 LBM A 37 -16.997 -4.282 -0.712 1.00 0.05 C HETATM 1512 O3 LBM A 37 -15.793 -4.774 -1.290 1.00 -0.38 O HETATM 1513 C35 LBM A 37 -14.842 -3.722 -1.411 1.00 0.05 C HETATM 1514 C36 LBM A 37 -15.343 -2.641 -2.333 1.00 -0.02 C HETATM 1515 H36 LBM A 37 -14.598 -1.833 -2.387 1.00 0.03 H HETATM 1516 H37 LBM A 37 -15.501 -3.062 -3.337 1.00 0.03 H HETATM 1517 H34 LBM A 37 -14.657 -3.289 -0.417 1.00 0.06 H HETATM 1518 H35 LBM A 37 -13.903 -4.131 -1.813 1.00 0.06 H HETATM 1519 H32 LBM A 37 -17.701 -5.117 -0.584 1.00 0.06 H HETATM 1520 H33 LBM A 37 -16.770 -3.841 0.270 1.00 0.06 H HETATM 1521 H30 LBM A 37 -17.896 -3.677 -2.559 1.00 0.03 H HETATM 1522 H31 LBM A 37 -18.543 -2.851 -1.100 1.00 0.03 H HETATM 1523 H29 LBM A 37 -16.468 -1.599 -0.836 1.00 0.03 H HETATM 1524 H18 LBM A 37 -18.145 -0.618 -2.330 1.00 0.05 H HETATM 1525 H19 LBM A 37 -17.434 -1.497 -3.726 1.00 0.05 H HETATM 1526 H50 LBM A 37 -15.252 -0.197 -2.724 1.00 0.18 H HETATM 1527 N4 LBM A 37 -14.137 2.054 -3.238 1.00 0.31 N HETATM 1528 O4 LBM A 37 -13.804 0.948 -2.842 1.00 0.17 O HETATM 1529 O5 LBM A 37 -13.344 2.961 -3.447 1.00 0.17 O HETATM 1530 H16 LBM A 37 -15.102 4.342 -3.973 1.00 0.07 H HETATM 1531 O1 LBM A 37 -18.968 5.781 -4.394 1.00 -0.15 O HETATM 1532 O2 LBM A 37 -16.583 6.420 -4.236 1.00 -0.15 O HETATM 1533 H49 LBM A 37 -16.740 5.994 -6.777 1.00 0.21 H HETATM 1534 O6 LBM A 37 -18.823 2.274 -8.549 1.00 -0.26 O HETATM 1535 C37 LBM A 37 -18.094 1.317 -7.843 1.00 0.13 C HETATM 1536 C38 LBM A 37 -18.712 0.146 -7.434 1.00 0.03 C HETATM 1537 N5 LBM A 37 -18.071 -0.830 -6.777 1.00 -0.29 N HETATM 1538 C39 LBM A 37 -16.768 -0.635 -6.514 1.00 0.13 C HETATM 1539 C40 LBM A 37 -16.046 0.533 -6.879 1.00 -0.01 C HETATM 1540 C41 LBM A 37 -16.752 1.524 -7.564 1.00 -0.02 C HETATM 1541 H39 LBM A 37 -16.259 2.439 -7.872 1.00 0.06 H HETATM 1542 C42 LBM A 37 -14.704 0.329 -6.430 1.00 -0.06 C HETATM 1543 C43 LBM A 37 -14.664 -0.896 -5.841 1.00 0.02 C HETATM 1544 N6 LBM A 37 -15.907 -1.486 -5.885 1.00 -0.27 N HETATM 1545 H51 LBM A 37 -16.147 -2.414 -5.507 1.00 0.23 H HETATM 1546 H41 LBM A 37 -13.776 -1.346 -5.398 1.00 0.10 H HETATM 1547 H40 LBM A 37 -13.872 1.023 -6.539 1.00 0.03 H HETATM 1548 H38 LBM A 37 -19.765 0.013 -7.656 1.00 0.07 H HETATM 1549 H13 LBM A 37 -17.952 2.153 -11.028 1.00 0.05 H HETATM 1550 H7 LBM A 37 -16.566 5.680 -13.599 1.00 0.06 H HETATM 1551 H8 LBM A 37 -15.145 5.403 -12.535 1.00 0.06 H HETATM 1552 H5 LBM A 37 -14.354 3.610 -14.015 1.00 0.08 H HETATM 1553 H6 LBM A 37 -14.587 5.129 -14.945 1.00 0.08 H HETATM 1554 H20 LBM A 37 -16.697 4.285 -15.649 1.00 0.21 H HETATM 1555 H3 LBM A 37 -16.012 2.510 -17.084 1.00 0.10 H HETATM 1556 H4 LBM A 37 -14.521 2.380 -16.090 1.00 0.10 H HETATM 1557 C3 LBM A 37 -15.495 5.296 -17.758 1.00 -0.01 C HETATM 1558 C2 LBM A 37 -14.881 5.860 -19.037 1.00 -0.04 C HETATM 1559 C1 LBM A 37 -13.408 6.251 -18.881 1.00 -0.03 C HETATM 1560 C LBM A 37 -12.864 6.781 -20.208 1.00 -0.06 C HETATM 1561 H21 LBM A 37 -13.431 7.676 -20.506 1.00 0.02 H HETATM 1562 H22 LBM A 37 -12.968 6.007 -20.982 1.00 0.02 H HETATM 1563 H23 LBM A 37 -11.802 7.042 -20.091 1.00 0.02 H HETATM 1564 C44 LBM A 37 -13.266 7.335 -17.813 1.00 -0.06 C HETATM 1565 H42 LBM A 37 -12.206 7.609 -17.708 1.00 0.02 H HETATM 1566 H43 LBM A 37 -13.643 6.955 -16.852 1.00 0.02 H HETATM 1567 H44 LBM A 37 -13.846 8.221 -18.110 1.00 0.02 H HETATM 1568 C6 LBM A 37 -12.622 5.005 -18.462 1.00 -0.03 C HETATM 1569 H45 LBM A 37 -11.738 5.340 -17.899 1.00 0.03 H HETATM 1570 H46 LBM A 37 -12.299 4.489 -19.378 1.00 0.03 H HETATM 1571 H24 LBM A 37 -14.958 5.098 -19.827 1.00 0.03 H HETATM 1572 H25 LBM A 37 -15.450 6.754 -19.333 1.00 0.03 H HETATM 1573 H26 LBM A 37 -16.518 4.949 -17.962 1.00 0.05 H HETATM 1574 H27 LBM A 37 -15.521 6.078 -16.985 1.00 0.05 H HETATM 1575 C8 LBM A 37 -11.808 2.882 -16.022 1.00 -0.07 C HETATM 1576 C9 LBM A 37 -11.047 1.792 -15.643 1.00 -0.06 C HETATM 1577 C10 LBM A 37 -11.021 0.656 -16.427 1.00 0.03 C HETATM 1578 CL LBM A 37 -10.054 -0.711 -15.949 1.00 -0.08 CL HETATM 1579 H48 LBM A 37 -10.469 1.829 -14.727 1.00 0.06 H HETATM 1580 H47 LBM A 37 -11.826 3.773 -15.404 1.00 0.05 H HETATM 1581 H2 LBM A 37 -13.102 1.649 -18.896 1.00 0.05 H HETATM 1582 H1 LBM A 37 -11.742 -0.289 -18.205 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 291 292 298 299 300 CONECT 298 291 CONECT 299 291 CONECT 300 291 CONECT 1471 1472 1577 1582 CONECT 1472 1471 1473 1581 CONECT 1473 1472 1474 1575 CONECT 1474 1473 1475 1568 CONECT 1475 1474 1476 1557 CONECT 1476 1475 1477 1555 1556 CONECT 1477 1476 1478 1482 1554 CONECT 1478 1477 1479 1552 1553 CONECT 1479 1478 1480 1550 1551 CONECT 1480 1479 1481 1487 CONECT 1481 1480 1482 1485 1486 CONECT 1482 1477 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1481 CONECT 1486 1481 CONECT 1487 1480 1488 1492 CONECT 1488 1487 1489 1549 CONECT 1489 1488 1490 1534 CONECT 1490 1489 1491 1495 CONECT 1491 1490 1492 1494 CONECT 1492 1487 1491 1493 CONECT 1493 1492 CONECT 1494 1491 CONECT 1495 1490 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1533 CONECT 1498 1497 1499 1531 1532 CONECT 1499 1498 1500 1504 CONECT 1500 1499 1501 1530 CONECT 1501 1500 1502 1527 CONECT 1502 1501 1503 1507 CONECT 1503 1502 1504 1506 CONECT 1504 1499 1503 1505 CONECT 1505 1504 CONECT 1506 1503 CONECT 1507 1502 1508 1526 CONECT 1508 1507 1509 1524 1525 CONECT 1509 1508 1510 1514 1523 CONECT 1510 1509 1511 1521 1522 CONECT 1511 1510 1512 1519 1520 CONECT 1512 1511 1513 CONECT 1513 1512 1514 1517 1518 CONECT 1514 1509 1513 1515 1516 CONECT 1515 1514 CONECT 1516 1514 CONECT 1517 1513 CONECT 1518 1513 CONECT 1519 1511 CONECT 1520 1511 CONECT 1521 1510 CONECT 1522 1510 CONECT 1523 1509 CONECT 1524 1508 CONECT 1525 1508 CONECT 1526 1507 CONECT 1527 1501 1528 1529 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1500 CONECT 1531 1498 CONECT 1532 1498 CONECT 1533 1497 CONECT 1534 1489 1535 CONECT 1535 1534 1536 1540 CONECT 1536 1535 1537 1548 CONECT 1537 1536 1538 CONECT 1538 1537 1539 1544 CONECT 1539 1538 1540 1542 CONECT 1540 1535 1539 1541 CONECT 1541 1540 CONECT 1542 1539 1543 1547 CONECT 1543 1542 1544 1546 CONECT 1544 1538 1543 1545 CONECT 1545 1544 CONECT 1546 1543 CONECT 1547 1542 CONECT 1548 1536 CONECT 1549 1488 CONECT 1550 1479 CONECT 1551 1479 CONECT 1552 1478 CONECT 1553 1478 CONECT 1554 1477 CONECT 1555 1476 CONECT 1556 1476 CONECT 1557 1475 1558 1573 1574 CONECT 1558 1557 1559 1571 1572 CONECT 1559 1558 1560 1564 1568 CONECT 1560 1559 1561 1562 1563 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1560 CONECT 1564 1559 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 CONECT 1568 1474 1559 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1558 CONECT 1572 1558 CONECT 1573 1557 CONECT 1574 1557 CONECT 1575 1473 1576 1580 CONECT 1576 1575 1577 1579 CONECT 1577 1471 1576 1578 CONECT 1578 1577 CONECT 1579 1576 CONECT 1580 1575 CONECT 1581 1472 CONECT 1582 1471 MASTER 0 0 0 0 0 0 0 0 1580 2 120 12 END
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6o0m
RCSB PDB
PDBbind
LBM
6o0k
RCSB PDB
PDBbind
LBM
Entry Information
PDB ID
6o0p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BCL-2 G101A mutation
Ligand Name
LBM
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.11nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 2385-2385
Ligand Properties
Formula
C
4
5
H
5
1
ClN
7
O
7
S
Molecular Weight
869.447
Exact Mass
868.326
No. of atoms
112
No. of bonds
119
Polar Surface Area
184.29
LOGP Value
8.18 (
Computed with XLOGP3
)
10.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 8
Canonical SMILES
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)C[NH+]1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)NCC1CCOCC1
InChI String
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Q07817
Entrez Gene ID
NCBI Entrez Gene ID:
596
598
ASD
Information of known allosteric effects of PDB entries
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