Browse entries in the PDBbind-CN Database
HEADER 6C3L_COMPLEX COMPND 6C3L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 ALA ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP SEQRES 2 A 124 VAL LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE SEQRES 3 A 124 LEU THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE SEQRES 4 A 124 ARG ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU SEQRES 5 A 124 PHE TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SEQRES 6 A 124 SER VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY SEQRES 7 A 124 PHE ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU SEQRES 8 A 124 ASN LEU ARG VAL GLY ASN ILE MET ALA VAL MET ALA THR SEQRES 9 A 124 ALA MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS SEQRES 10 A 124 ARG LYS PHE ILE LYS ALA SER HET EGP A 281 82 ATOM 1 N ALA A 5 -9.285 11.272 -16.249 1.00 51.29 N ATOM 2 CA ALA A 5 -8.404 12.424 -16.098 1.00 51.76 C ATOM 3 C ALA A 5 -9.202 13.723 -16.081 1.00 52.62 C ATOM 4 O ALA A 5 -10.312 13.786 -16.606 1.00 48.97 O ATOM 5 CB ALA A 5 -7.369 12.449 -17.215 1.00 55.77 C ATOM 6 HN3 ALA A 5 -9.810 11.353 -17.143 1.00 0.00 H ATOM 7 HN2 ALA A 5 -9.955 11.243 -15.454 1.00 0.00 H ATOM 8 HN1 ALA A 5 -8.717 10.401 -16.258 1.00 0.00 H ATOM 9 N ASP A 6 -8.627 14.761 -15.473 1.00 57.34 N ATOM 10 CA ASP A 6 -9.270 16.068 -15.429 1.00 60.20 C ATOM 11 C ASP A 6 -9.187 16.816 -16.752 1.00 59.95 C ATOM 12 O ASP A 6 -9.781 17.893 -16.873 1.00 63.69 O ATOM 13 CB ASP A 6 -8.656 16.924 -14.317 1.00 64.86 C ATOM 14 H ASP A 6 -7.699 14.635 -15.020 1.00 0.00 H ATOM 15 N SER A 7 -8.467 16.280 -17.736 1.00 57.91 N ATOM 16 CA SER A 7 -8.349 16.912 -19.042 1.00 54.06 C ATOM 17 C SER A 7 -9.406 16.442 -20.028 1.00 48.19 C ATOM 18 O SER A 7 -9.612 17.100 -21.055 1.00 45.37 O ATOM 19 CB SER A 7 -6.965 16.634 -19.635 1.00 60.45 C ATOM 20 OG SER A 7 -6.784 15.246 -19.863 1.00 60.58 O ATOM 21 HG SER A 7 -7.474 14.924 -20.496 1.00 0.00 H ATOM 22 H SER A 7 -7.973 15.381 -17.566 1.00 0.00 H ATOM 23 N GLN A 8 -10.080 15.333 -19.740 1.00 38.37 N ATOM 24 CA GLN A 8 -11.012 14.729 -20.676 1.00 36.83 C ATOM 25 C GLN A 8 -12.332 15.498 -20.709 1.00 37.08 C ATOM 26 O GLN A 8 -12.631 16.324 -19.843 1.00 37.86 O ATOM 27 CB GLN A 8 -11.249 13.264 -20.312 1.00 36.10 C ATOM 28 CG GLN A 8 -9.974 12.434 -20.278 1.00 36.34 C ATOM 29 CD GLN A 8 -10.209 11.016 -19.803 1.00 38.35 C ATOM 30 OE1 GLN A 8 -11.347 10.602 -19.584 1.00 39.92 O ATOM 31 NE2 GLN A 8 -9.128 10.261 -19.639 1.00 41.49 N ATOM 32 HE22 GLN A 8 -8.185 10.653 -19.836 1.00 0.00 H ATOM 33 HE21 GLN A 8 -9.225 9.278 -19.313 1.00 0.00 H ATOM 34 H GLN A 8 -9.935 14.883 -18.814 1.00 0.00 H ATOM 35 N ILE A 9 -13.126 15.218 -21.744 1.00 34.01 N ATOM 36 CA ILE A 9 -14.430 15.852 -21.891 1.00 33.09 C ATOM 37 C ILE A 9 -15.386 15.275 -20.858 1.00 30.64 C ATOM 38 O ILE A 9 -15.490 14.051 -20.698 1.00 29.00 O ATOM 39 CB ILE A 9 -14.960 15.647 -23.317 1.00 34.55 C ATOM 40 CG1 ILE A 9 -14.022 16.296 -24.335 1.00 35.68 C ATOM 41 CG2 ILE A 9 -16.369 16.206 -23.449 1.00 32.06 C ATOM 42 CD1 ILE A 9 -14.332 15.927 -25.768 1.00 41.50 C ATOM 43 H ILE A 9 -12.808 14.534 -22.460 1.00 0.00 H ATOM 44 N GLN A 10 -16.097 16.151 -20.155 1.00 31.10 N ATOM 45 CA GLN A 10 -17.011 15.743 -19.099 1.00 28.64 C ATOM 46 C GLN A 10 -18.443 15.743 -19.614 1.00 27.44 C ATOM 47 O GLN A 10 -18.908 16.737 -20.179 1.00 29.77 O ATOM 48 CB GLN A 10 -16.892 16.666 -17.886 1.00 32.17 C ATOM 49 CG GLN A 10 -15.500 16.713 -17.286 1.00 40.72 C ATOM 50 CD GLN A 10 -15.488 17.296 -15.889 1.00 37.61 C ATOM 51 OE1 GLN A 10 -16.373 17.016 -15.080 1.00 48.24 O ATOM 52 NE2 GLN A 10 -14.483 18.114 -15.597 1.00 40.64 N ATOM 53 HE22 GLN A 10 -13.757 18.322 -16.312 1.00 0.00 H ATOM 54 HE21 GLN A 10 -14.422 18.546 -14.653 1.00 0.00 H ATOM 55 H GLN A 10 -15.996 17.164 -20.367 1.00 0.00 H ATOM 56 N PHE A 11 -19.132 14.624 -19.418 1.00 25.39 N ATOM 57 CA PHE A 11 -20.556 14.497 -19.716 1.00 24.25 C ATOM 58 C PHE A 11 -21.283 14.654 -18.386 1.00 29.85 C ATOM 59 O PHE A 11 -21.373 13.707 -17.601 1.00 26.48 O ATOM 60 CB PHE A 11 -20.851 13.143 -20.354 1.00 24.59 C ATOM 61 CG PHE A 11 -20.433 13.038 -21.796 1.00 26.20 C ATOM 62 CD1 PHE A 11 -19.105 13.188 -22.165 1.00 25.11 C ATOM 63 CD2 PHE A 11 -21.367 12.765 -22.781 1.00 31.16 C ATOM 64 CE1 PHE A 11 -18.721 13.084 -23.489 1.00 31.31 C ATOM 65 CE2 PHE A 11 -20.990 12.658 -24.108 1.00 31.88 C ATOM 66 CZ PHE A 11 -19.665 12.817 -24.460 1.00 29.94 C ATOM 67 H PHE A 11 -18.632 13.797 -19.033 1.00 0.00 H ATOM 68 N THR A 12 -21.791 15.862 -18.127 1.00 29.82 N ATOM 69 CA THR A 12 -22.367 16.162 -16.820 1.00 27.43 C ATOM 70 C THR A 12 -23.658 15.399 -16.550 1.00 28.62 C ATOM 71 O THR A 12 -24.077 15.315 -15.390 1.00 31.63 O ATOM 72 CB THR A 12 -22.605 17.666 -16.678 1.00 31.63 C ATOM 73 OG1 THR A 12 -23.665 18.071 -17.553 1.00 37.14 O ATOM 74 CG2 THR A 12 -21.344 18.437 -17.036 1.00 39.64 C ATOM 75 HG1 THR A 12 -23.816 19.045 -17.458 1.00 0.00 H ATOM 76 H THR A 12 -21.776 16.596 -18.864 1.00 0.00 H ATOM 77 N ARG A 13 -24.292 14.842 -17.581 1.00 31.11 N ATOM 78 CA ARG A 13 -25.545 14.111 -17.439 1.00 32.57 C ATOM 79 C ARG A 13 -25.363 12.599 -17.451 1.00 25.46 C ATOM 80 O ARG A 13 -26.344 11.869 -17.271 1.00 24.73 O ATOM 81 CB ARG A 13 -26.519 14.518 -18.550 1.00 39.05 C ATOM 82 CG ARG A 13 -26.968 15.966 -18.472 1.00 45.91 C ATOM 83 CD ARG A 13 -27.822 16.189 -17.239 1.00 51.57 C ATOM 84 NE ARG A 13 -29.178 15.680 -17.421 1.00 55.86 N ATOM 85 CZ ARG A 13 -29.970 15.291 -16.427 1.00 56.02 C ATOM 86 NH1 ARG A 13 -29.535 15.335 -15.175 1.00 54.49 N ATOM 87 NH2 ARG A 13 -31.192 14.847 -16.686 1.00 57.86 N ATOM 88 HE ARG A 13 -29.548 15.618 -18.391 1.00 0.00 H ATOM 89 HH12 ARG A 13 -30.155 15.030 -14.398 1.00 0.00 H ATOM 90 HH11 ARG A 13 -28.573 15.674 -14.970 1.00 0.00 H ATOM 91 HH22 ARG A 13 -31.811 14.543 -15.907 1.00 0.00 H ATOM 92 HH21 ARG A 13 -31.532 14.803 -17.668 1.00 0.00 H ATOM 93 H ARG A 13 -23.874 14.933 -18.529 1.00 0.00 H ATOM 94 N HIS A 14 -24.135 12.112 -17.635 1.00 22.96 N ATOM 95 CA HIS A 14 -23.928 10.686 -17.865 1.00 18.16 C ATOM 96 C HIS A 14 -24.245 9.857 -16.624 1.00 21.07 C ATOM 97 O HIS A 14 -24.936 8.837 -16.713 1.00 17.54 O ATOM 98 CB HIS A 14 -22.498 10.430 -18.333 1.00 22.07 C ATOM 99 CG HIS A 14 -22.185 8.981 -18.523 1.00 19.71 C ATOM 100 ND1 HIS A 14 -22.641 8.257 -19.604 1.00 21.24 N ATOM 101 CD2 HIS A 14 -21.481 8.114 -17.758 1.00 19.39 C ATOM 102 CE1 HIS A 14 -22.220 7.010 -19.503 1.00 19.68 C ATOM 103 NE2 HIS A 14 -21.516 6.895 -18.391 1.00 17.90 N ATOM 104 H HIS A 14 -23.317 12.755 -17.614 1.00 0.00 H ATOM 105 N ALA A 15 -23.738 10.269 -15.460 1.00 22.01 N ATOM 106 CA ALA A 15 -23.912 9.462 -14.253 1.00 17.31 C ATOM 107 C ALA A 15 -25.385 9.306 -13.894 1.00 18.04 C ATOM 108 O ALA A 15 -25.833 8.208 -13.547 1.00 17.60 O ATOM 109 CB ALA A 15 -23.129 10.069 -13.089 1.00 18.58 C ATOM 110 H ALA A 15 -23.217 11.168 -15.411 1.00 0.00 H ATOM 111 N SER A 16 -26.154 10.394 -13.978 1.00 19.36 N ATOM 112 CA SER A 16 -27.584 10.318 -13.695 1.00 19.02 C ATOM 113 C SER A 16 -28.313 9.483 -14.740 1.00 19.12 C ATOM 114 O SER A 16 -29.262 8.760 -14.412 1.00 18.82 O ATOM 115 CB SER A 16 -28.177 11.725 -13.611 1.00 25.27 C ATOM 116 OG SER A 16 -27.916 12.464 -14.791 1.00 37.65 O ATOM 117 HG SER A 16 -26.938 12.541 -14.921 1.00 0.00 H ATOM 118 H SER A 16 -25.730 11.305 -14.248 1.00 0.00 H ATOM 119 N ASP A 17 -27.887 9.565 -16.003 1.00 20.18 N ATOM 120 CA ASP A 17 -28.512 8.749 -17.037 1.00 21.06 C ATOM 121 C ASP A 17 -28.234 7.267 -16.814 1.00 19.68 C ATOM 122 O ASP A 17 -29.118 6.427 -17.022 1.00 19.34 O ATOM 123 CB ASP A 17 -28.046 9.198 -18.422 1.00 19.55 C ATOM 124 CG ASP A 17 -28.628 10.538 -18.824 1.00 29.59 C ATOM 125 OD1 ASP A 17 -29.684 10.920 -18.274 1.00 34.45 O ATOM 126 OD2 ASP A 17 -28.034 11.208 -19.694 1.00 37.05 O ATOM 127 H ASP A 17 -27.110 10.211 -16.249 1.00 0.00 H ATOM 128 N VAL A 18 -27.014 6.927 -16.386 1.00 17.31 N ATOM 129 CA VAL A 18 -26.689 5.535 -16.080 1.00 17.39 C ATOM 130 C VAL A 18 -27.573 5.026 -14.950 1.00 16.24 C ATOM 131 O VAL A 18 -28.152 3.936 -15.028 1.00 16.27 O ATOM 132 CB VAL A 18 -25.194 5.388 -15.741 1.00 17.59 C ATOM 133 CG1 VAL A 18 -24.915 4.009 -15.155 1.00 17.82 C ATOM 134 CG2 VAL A 18 -24.335 5.630 -16.970 1.00 18.25 C ATOM 135 H VAL A 18 -26.287 7.662 -16.269 1.00 0.00 H ATOM 136 N LEU A 19 -27.699 5.819 -13.885 1.00 14.94 N ATOM 137 CA LEU A 19 -28.505 5.404 -12.745 1.00 16.78 C ATOM 138 C LEU A 19 -29.967 5.248 -13.137 1.00 18.02 C ATOM 139 O LEU A 19 -30.637 4.305 -12.699 1.00 16.75 O ATOM 140 CB LEU A 19 -28.359 6.421 -11.616 1.00 16.92 C ATOM 141 CG LEU A 19 -28.782 5.908 -10.241 1.00 14.78 C ATOM 142 CD1 LEU A 19 -27.817 4.834 -9.765 1.00 19.41 C ATOM 143 CD2 LEU A 19 -28.860 7.049 -9.235 1.00 18.07 C ATOM 144 H LEU A 19 -27.218 6.741 -13.868 1.00 0.00 H ATOM 145 N LEU A 20 -30.475 6.158 -13.972 1.00 17.65 N ATOM 146 CA LEU A 20 -31.847 6.030 -14.454 1.00 17.43 C ATOM 147 C LEU A 20 -32.047 4.714 -15.195 1.00 16.60 C ATOM 148 O LEU A 20 -33.047 4.019 -14.982 1.00 16.46 O ATOM 149 CB LEU A 20 -32.201 7.216 -15.351 1.00 19.95 C ATOM 150 CG LEU A 20 -33.546 7.152 -16.076 1.00 23.03 C ATOM 151 CD1 LEU A 20 -34.690 7.005 -15.084 1.00 27.54 C ATOM 152 CD2 LEU A 20 -33.739 8.388 -16.945 1.00 27.09 C ATOM 153 H LEU A 20 -29.891 6.961 -14.280 1.00 0.00 H ATOM 154 N ASN A 21 -31.100 4.346 -16.057 1.00 16.11 N ATOM 155 CA ASN A 21 -31.231 3.081 -16.770 1.00 13.87 C ATOM 156 C ASN A 21 -31.075 1.879 -15.844 1.00 13.63 C ATOM 157 O ASN A 21 -31.720 0.848 -16.070 1.00 14.41 O ATOM 158 CB ASN A 21 -30.263 3.016 -17.952 1.00 15.01 C ATOM 159 CG ASN A 21 -30.755 3.803 -19.145 1.00 17.19 C ATOM 160 OD1 ASN A 21 -31.917 4.209 -19.202 1.00 20.17 O ATOM 161 ND2 ASN A 21 -29.874 4.016 -20.115 1.00 21.49 N ATOM 162 HD22 ASN A 21 -28.903 3.655 -20.024 1.00 0.00 H ATOM 163 HD21 ASN A 21 -30.155 4.544 -20.966 1.00 0.00 H ATOM 164 H ASN A 21 -30.274 4.956 -16.220 1.00 0.00 H ATOM 165 N LEU A 22 -30.241 1.990 -14.801 1.00 14.85 N ATOM 166 CA LEU A 22 -30.140 0.911 -13.820 1.00 14.77 C ATOM 167 C LEU A 22 -31.451 0.727 -13.060 1.00 14.06 C ATOM 168 O LEU A 22 -31.858 -0.407 -12.778 1.00 14.15 O ATOM 169 CB LEU A 22 -28.991 1.182 -12.851 1.00 14.34 C ATOM 170 CG LEU A 22 -27.569 1.137 -13.417 1.00 13.20 C ATOM 171 CD1 LEU A 22 -26.556 1.543 -12.346 1.00 19.72 C ATOM 172 CD2 LEU A 22 -27.256 -0.244 -13.990 1.00 16.28 C ATOM 173 H LEU A 22 -29.663 2.847 -14.689 1.00 0.00 H ATOM 174 N ASN A 23 -32.139 1.825 -12.738 1.00 12.89 N ATOM 175 CA ASN A 23 -33.451 1.710 -12.104 1.00 15.70 C ATOM 176 C ASN A 23 -34.476 1.117 -13.064 1.00 15.34 C ATOM 177 O ASN A 23 -35.351 0.345 -12.651 1.00 16.51 O ATOM 178 CB ASN A 23 -33.912 3.075 -11.587 1.00 16.75 C ATOM 179 CG ASN A 23 -34.967 2.957 -10.505 1.00 16.22 C ATOM 180 OD1 ASN A 23 -34.970 2.001 -9.732 1.00 16.41 O ATOM 181 ND2 ASN A 23 -35.869 3.929 -10.445 1.00 26.04 N ATOM 182 HD22 ASN A 23 -35.828 4.719 -11.120 1.00 0.00 H ATOM 183 HD21 ASN A 23 -36.617 3.900 -9.723 1.00 0.00 H ATOM 184 H ASN A 23 -31.740 2.764 -12.939 1.00 0.00 H ATOM 185 N ARG A 24 -34.383 1.463 -14.353 1.00 14.78 N ATOM 186 CA ARG A 24 -35.262 0.857 -15.348 1.00 16.07 C ATOM 187 C ARG A 24 -35.041 -0.646 -15.430 1.00 12.95 C ATOM 188 O ARG A 24 -36.004 -1.420 -15.503 1.00 17.18 O ATOM 189 CB ARG A 24 -35.046 1.519 -16.711 1.00 15.28 C ATOM 190 CG ARG A 24 -35.633 2.924 -16.807 1.00 20.63 C ATOM 191 CD ARG A 24 -35.117 3.666 -18.033 1.00 25.69 C ATOM 192 NE ARG A 24 -35.874 4.887 -18.300 1.00 27.07 N ATOM 193 CZ ARG A 24 -35.508 5.815 -19.178 1.00 33.25 C ATOM 194 NH1 ARG A 24 -34.389 5.668 -19.871 1.00 34.37 N ATOM 195 NH2 ARG A 24 -36.261 6.893 -19.360 1.00 33.53 N ATOM 196 HE ARG A 24 -36.755 5.039 -17.769 1.00 0.00 H ATOM 197 HH12 ARG A 24 -34.103 6.395 -20.558 1.00 0.00 H ATOM 198 HH11 ARG A 24 -33.796 4.826 -19.728 1.00 0.00 H ATOM 199 HH22 ARG A 24 -35.973 7.618 -20.047 1.00 0.00 H ATOM 200 HH21 ARG A 24 -37.139 7.012 -18.815 1.00 0.00 H ATOM 201 H ARG A 24 -33.679 2.169 -14.648 1.00 0.00 H ATOM 202 N LEU A 25 -33.778 -1.081 -15.400 1.00 13.49 N ATOM 203 CA LEU A 25 -33.492 -2.511 -15.374 1.00 13.65 C ATOM 204 C LEU A 25 -34.080 -3.166 -14.129 1.00 13.29 C ATOM 205 O LEU A 25 -34.635 -4.270 -14.203 1.00 16.13 O ATOM 206 CB LEU A 25 -31.983 -2.748 -15.458 1.00 13.15 C ATOM 207 CG LEU A 25 -31.311 -2.348 -16.777 1.00 14.71 C ATOM 208 CD1 LEU A 25 -29.800 -2.501 -16.680 1.00 17.61 C ATOM 209 CD2 LEU A 25 -31.852 -3.164 -17.936 1.00 18.16 C ATOM 210 H LEU A 25 -32.995 -0.397 -15.395 1.00 0.00 H ATOM 211 N ARG A 26 -33.984 -2.496 -12.977 1.00 14.36 N ATOM 212 CA ARG A 26 -34.586 -3.048 -11.768 1.00 14.76 C ATOM 213 C ARG A 26 -36.095 -3.182 -11.918 1.00 16.03 C ATOM 214 O ARG A 26 -36.675 -4.203 -11.530 1.00 18.54 O ATOM 215 CB ARG A 26 -34.238 -2.189 -10.552 1.00 16.28 C ATOM 216 CG ARG A 26 -34.892 -2.672 -9.257 1.00 16.54 C ATOM 217 CD ARG A 26 -34.356 -1.951 -8.024 1.00 17.87 C ATOM 218 NE ARG A 26 -34.739 -0.542 -7.973 1.00 19.32 N ATOM 219 CZ ARG A 26 -35.618 -0.030 -7.115 1.00 19.76 C ATOM 220 NH1 ARG A 26 -36.215 -0.809 -6.222 1.00 23.74 N ATOM 221 NH2 ARG A 26 -35.898 1.265 -7.148 1.00 22.67 N ATOM 222 HE ARG A 26 -34.294 0.106 -8.654 1.00 0.00 H ATOM 223 HH12 ARG A 26 -36.901 -0.403 -5.554 1.00 0.00 H ATOM 224 HH11 ARG A 26 -35.997 -1.825 -6.190 1.00 0.00 H ATOM 225 HH22 ARG A 26 -36.585 1.666 -6.478 1.00 0.00 H ATOM 226 HH21 ARG A 26 -35.431 1.880 -7.844 1.00 0.00 H ATOM 227 H ARG A 26 -33.483 -1.585 -12.942 1.00 0.00 H ATOM 228 N SER A 27 -36.745 -2.167 -12.497 1.00 16.27 N ATOM 229 CA SER A 27 -38.194 -2.213 -12.653 1.00 18.49 C ATOM 230 C SER A 27 -38.644 -3.327 -13.588 1.00 18.33 C ATOM 231 O SER A 27 -39.809 -3.736 -13.525 1.00 21.06 O ATOM 232 CB SER A 27 -38.728 -0.858 -13.124 1.00 20.67 C ATOM 233 OG SER A 27 -38.546 0.135 -12.129 1.00 24.33 O ATOM 234 HG SER A 27 -37.581 0.226 -11.928 1.00 0.00 H ATOM 235 H SER A 27 -36.214 -1.340 -12.838 1.00 0.00 H ATOM 236 N ARG A 28 -37.755 -3.829 -14.441 1.00 19.36 N ATOM 237 CA ARG A 28 -38.059 -4.941 -15.328 1.00 19.59 C ATOM 238 C ARG A 28 -37.451 -6.251 -14.853 1.00 17.77 C ATOM 239 O ARG A 28 -37.575 -7.264 -15.553 1.00 20.04 O ATOM 240 CB ARG A 28 -37.583 -4.635 -16.754 1.00 21.99 C ATOM 241 CG ARG A 28 -38.186 -3.381 -17.363 1.00 26.41 C ATOM 242 CD ARG A 28 -37.674 -3.165 -18.780 1.00 30.91 C ATOM 243 NE ARG A 28 -38.094 -4.232 -19.686 1.00 36.78 N ATOM 244 CZ ARG A 28 -37.705 -4.329 -20.953 1.00 35.86 C ATOM 245 NH1 ARG A 28 -36.880 -3.426 -21.465 1.00 40.30 N ATOM 246 NH2 ARG A 28 -38.135 -5.329 -21.706 1.00 40.39 N ATOM 247 HE ARG A 28 -38.737 -4.961 -19.316 1.00 0.00 H ATOM 248 HH12 ARG A 28 -36.576 -3.502 -22.457 1.00 0.00 H ATOM 249 HH11 ARG A 28 -36.537 -2.641 -20.875 1.00 0.00 H ATOM 250 HH22 ARG A 28 -37.829 -5.402 -22.697 1.00 0.00 H ATOM 251 HH21 ARG A 28 -38.779 -6.041 -21.306 1.00 0.00 H ATOM 252 H ARG A 28 -36.804 -3.409 -14.475 1.00 0.00 H ATOM 253 N ASP A 29 -36.800 -6.257 -13.687 1.00 18.01 N ATOM 254 CA ASP A 29 -36.157 -7.452 -13.132 1.00 15.83 C ATOM 255 C ASP A 29 -35.085 -8.006 -14.069 1.00 19.51 C ATOM 256 O ASP A 29 -34.903 -9.219 -14.191 1.00 25.86 O ATOM 257 CB ASP A 29 -37.174 -8.522 -12.727 1.00 21.98 C ATOM 258 CG ASP A 29 -36.651 -9.439 -11.639 1.00 26.85 C ATOM 259 OD1 ASP A 29 -36.031 -8.931 -10.682 1.00 25.61 O ATOM 260 OD2 ASP A 29 -36.871 -10.666 -11.733 1.00 34.07 O ATOM 261 H ASP A 29 -36.747 -5.370 -13.146 1.00 0.00 H ATOM 262 N ILE A 30 -34.368 -7.106 -14.735 1.00 18.17 N ATOM 263 CA ILE A 30 -33.317 -7.482 -15.673 1.00 18.61 C ATOM 264 C ILE A 30 -31.983 -7.479 -14.940 1.00 15.05 C ATOM 265 O ILE A 30 -31.531 -6.435 -14.452 1.00 16.25 O ATOM 266 CB ILE A 30 -33.285 -6.541 -16.886 1.00 19.50 C ATOM 267 CG1 ILE A 30 -34.595 -6.634 -17.669 1.00 20.65 C ATOM 268 CG2 ILE A 30 -32.104 -6.878 -17.783 1.00 21.17 C ATOM 269 CD1 ILE A 30 -34.662 -5.707 -18.864 1.00 25.26 C ATOM 270 H ILE A 30 -34.564 -6.096 -14.581 1.00 0.00 H ATOM 271 N LEU A 31 -31.358 -8.651 -14.861 1.00 18.20 N ATOM 272 CA LEU A 31 -30.038 -8.858 -14.271 1.00 16.56 C ATOM 273 C LEU A 31 -29.986 -8.585 -12.773 1.00 17.55 C ATOM 274 O LEU A 31 -28.891 -8.514 -12.202 1.00 15.25 O ATOM 275 CB LEU A 31 -28.927 -8.106 -15.016 1.00 18.70 C ATOM 276 CG LEU A 31 -28.588 -8.669 -16.399 1.00 23.24 C ATOM 277 CD1 LEU A 31 -27.616 -7.755 -17.114 1.00 26.43 C ATOM 278 CD2 LEU A 31 -28.015 -10.079 -16.287 1.00 21.59 C ATOM 279 H LEU A 31 -31.847 -9.483 -15.249 1.00 0.00 H ATOM 280 N THR A 32 -31.135 -8.429 -12.121 1.00 15.76 N ATOM 281 CA THR A 32 -31.155 -8.447 -10.667 1.00 13.76 C ATOM 282 C THR A 32 -30.631 -9.792 -10.178 1.00 14.38 C ATOM 283 O THR A 32 -30.912 -10.838 -10.770 1.00 18.55 O ATOM 284 CB THR A 32 -32.579 -8.214 -10.161 1.00 17.65 C ATOM 285 OG1 THR A 32 -33.459 -9.180 -10.743 1.00 19.62 O ATOM 286 CG2 THR A 32 -33.053 -6.817 -10.533 1.00 17.63 C ATOM 287 HG1 THR A 32 -34.380 -9.027 -10.414 1.00 0.00 H ATOM 288 H THR A 32 -32.019 -8.294 -12.651 1.00 0.00 H ATOM 289 N ASP A 33 -29.844 -9.762 -9.101 1.00 15.27 N ATOM 290 CA ASP A 33 -29.124 -10.945 -8.649 1.00 13.12 C ATOM 291 C ASP A 33 -29.255 -11.204 -7.153 1.00 14.18 C ATOM 292 O ASP A 33 -28.535 -12.057 -6.620 1.00 16.81 O ATOM 293 CB ASP A 33 -27.645 -10.872 -9.048 1.00 16.27 C ATOM 294 CG ASP A 33 -26.971 -9.597 -8.575 1.00 21.04 C ATOM 295 OD1 ASP A 33 -27.622 -8.773 -7.894 1.00 17.25 O ATOM 296 OD2 ASP A 33 -25.771 -9.420 -8.883 1.00 22.93 O ATOM 297 H ASP A 33 -29.742 -8.873 -8.571 1.00 0.00 H ATOM 298 N VAL A 34 -30.146 -10.498 -6.460 1.00 14.54 N ATOM 299 CA VAL A 34 -30.345 -10.712 -5.032 1.00 12.80 C ATOM 300 C VAL A 34 -31.758 -10.275 -4.681 1.00 14.38 C ATOM 301 O VAL A 34 -32.312 -9.354 -5.287 1.00 16.00 O ATOM 302 CB VAL A 34 -29.284 -9.987 -4.162 1.00 14.89 C ATOM 303 CG1 VAL A 34 -29.492 -8.480 -4.185 1.00 15.58 C ATOM 304 CG2 VAL A 34 -29.316 -10.503 -2.727 1.00 16.29 C ATOM 305 H VAL A 34 -30.713 -9.777 -6.949 1.00 0.00 H ATOM 306 N VAL A 35 -32.351 -10.963 -3.711 1.00 16.16 N ATOM 307 CA VAL A 35 -33.593 -10.530 -3.085 1.00 16.07 C ATOM 308 C VAL A 35 -33.283 -10.167 -1.641 1.00 16.47 C ATOM 309 O VAL A 35 -32.605 -10.923 -0.933 1.00 17.21 O ATOM 310 CB VAL A 35 -34.697 -11.598 -3.190 1.00 19.24 C ATOM 311 CG1 VAL A 35 -34.239 -12.919 -2.594 1.00 21.84 C ATOM 312 CG2 VAL A 35 -35.975 -11.111 -2.526 1.00 22.56 C ATOM 313 H VAL A 35 -31.910 -11.847 -3.385 1.00 0.00 H ATOM 314 N ILE A 36 -33.739 -8.992 -1.221 1.00 16.65 N ATOM 315 CA ILE A 36 -33.568 -8.519 0.147 1.00 15.80 C ATOM 316 C ILE A 36 -34.881 -8.753 0.879 1.00 18.48 C ATOM 317 O ILE A 36 -35.914 -8.175 0.516 1.00 20.04 O ATOM 318 CB ILE A 36 -33.175 -7.034 0.177 1.00 15.72 C ATOM 319 CG1 ILE A 36 -31.942 -6.790 -0.699 1.00 16.12 C ATOM 320 CG2 ILE A 36 -32.924 -6.574 1.610 1.00 17.86 C ATOM 321 CD1 ILE A 36 -30.725 -7.591 -0.288 1.00 17.06 C ATOM 322 H ILE A 36 -34.240 -8.383 -1.898 1.00 0.00 H ATOM 323 N VAL A 37 -34.847 -9.599 1.906 1.00 18.27 N ATOM 324 CA VAL A 37 -36.032 -9.940 2.686 1.00 20.00 C ATOM 325 C VAL A 37 -36.078 -9.040 3.912 1.00 24.54 C ATOM 326 O VAL A 37 -35.135 -9.015 4.711 1.00 20.35 O ATOM 327 CB VAL A 37 -36.033 -11.424 3.085 1.00 22.99 C ATOM 328 CG1 VAL A 37 -37.211 -11.722 4.004 1.00 23.74 C ATOM 329 CG2 VAL A 37 -36.081 -12.304 1.847 1.00 26.43 C ATOM 330 H VAL A 37 -33.938 -10.035 2.163 1.00 0.00 H ATOM 331 N VAL A 38 -37.172 -8.298 4.061 1.00 23.14 N ATOM 332 CA VAL A 38 -37.394 -7.425 5.210 1.00 20.72 C ATOM 333 C VAL A 38 -38.750 -7.812 5.787 1.00 23.21 C ATOM 334 O VAL A 38 -39.792 -7.379 5.283 1.00 27.93 O ATOM 335 CB VAL A 38 -37.356 -5.939 4.838 1.00 23.38 C ATOM 336 CG1 VAL A 38 -37.500 -5.074 6.090 1.00 29.92 C ATOM 337 CG2 VAL A 38 -36.071 -5.604 4.084 1.00 27.50 C ATOM 338 H VAL A 38 -37.904 -8.342 3.324 1.00 0.00 H ATOM 339 N SER A 39 -38.742 -8.632 6.838 1.00 26.21 N ATOM 340 CA SER A 39 -39.960 -9.134 7.483 1.00 32.20 C ATOM 341 C SER A 39 -40.791 -9.875 6.441 1.00 31.51 C ATOM 342 O SER A 39 -40.294 -10.864 5.875 1.00 33.16 O ATOM 343 CB SER A 39 -40.657 -8.013 8.260 1.00 39.21 C ATOM 344 H SER A 39 -37.823 -8.932 7.221 1.00 0.00 H ATOM 345 N ARG A 40 -42.020 -9.456 6.149 1.00 32.73 N ATOM 346 CA ARG A 40 -42.866 -10.131 5.175 1.00 31.28 C ATOM 347 C ARG A 40 -42.672 -9.605 3.758 1.00 32.98 C ATOM 348 O ARG A 40 -43.389 -10.038 2.850 1.00 42.55 O ATOM 349 CB ARG A 40 -44.340 -10.001 5.572 1.00 32.42 C ATOM 350 CG ARG A 40 -44.604 -10.091 7.069 1.00 40.03 C ATOM 351 CD ARG A 40 -46.074 -9.848 7.378 1.00 49.56 C ATOM 352 NE ARG A 40 -46.873 -11.064 7.255 1.00 54.10 N ATOM 353 CZ ARG A 40 -48.168 -11.080 6.959 1.00 56.39 C ATOM 354 NH1 ARG A 40 -48.816 -12.234 6.872 1.00 61.15 N ATOM 355 NH2 ARG A 40 -48.815 -9.944 6.735 1.00 57.02 N ATOM 356 HE ARG A 40 -46.398 -11.976 7.409 1.00 0.00 H ATOM 357 HH12 ARG A 40 -49.830 -12.245 6.640 1.00 0.00 H ATOM 358 HH11 ARG A 40 -48.310 -13.128 7.036 1.00 0.00 H ATOM 359 HH22 ARG A 40 -49.829 -9.960 6.504 1.00 0.00 H ATOM 360 HH21 ARG A 40 -48.309 -9.037 6.791 1.00 0.00 H ATOM 361 H ARG A 40 -42.390 -8.614 6.635 1.00 0.00 H ATOM 362 N GLU A 41 -41.725 -8.693 3.547 1.00 27.48 N ATOM 363 CA GLU A 41 -41.525 -8.036 2.264 1.00 29.14 C ATOM 364 C GLU A 41 -40.234 -8.509 1.605 1.00 27.52 C ATOM 365 O GLU A 41 -39.264 -8.868 2.279 1.00 28.78 O ATOM 366 CB GLU A 41 -41.469 -6.516 2.442 1.00 30.69 C ATOM 367 CG GLU A 41 -42.760 -5.905 2.959 1.00 35.02 C ATOM 368 CD GLU A 41 -43.609 -5.313 1.853 1.00 37.24 C ATOM 369 OE1 GLU A 41 -43.291 -5.542 0.668 1.00 42.60 O ATOM 370 OE2 GLU A 41 -44.592 -4.612 2.171 1.00 45.05 O ATOM 371 H GLU A 41 -41.098 -8.438 4.337 1.00 0.00 H ATOM 372 N GLN A 42 -40.229 -8.498 0.272 1.00 24.33 N ATOM 373 CA GLN A 42 -39.059 -8.855 -0.517 1.00 25.45 C ATOM 374 C GLN A 42 -38.802 -7.767 -1.548 1.00 22.14 C ATOM 375 O GLN A 42 -39.743 -7.205 -2.118 1.00 24.42 O ATOM 376 CB GLN A 42 -39.260 -10.195 -1.231 1.00 26.98 C ATOM 377 CG GLN A 42 -39.498 -11.366 -0.293 1.00 32.79 C ATOM 378 CD GLN A 42 -39.678 -12.677 -1.033 1.00 37.64 C ATOM 379 OE1 GLN A 42 -39.408 -12.771 -2.231 1.00 42.37 O ATOM 380 NE2 GLN A 42 -40.141 -13.698 -0.321 1.00 42.66 N ATOM 381 HE22 GLN A 42 -40.356 -13.573 0.689 1.00 0.00 H ATOM 382 HE21 GLN A 42 -40.289 -14.623 -0.773 1.00 0.00 H ATOM 383 H GLN A 42 -41.099 -8.222 -0.226 1.00 0.00 H ATOM 384 N PHE A 43 -37.523 -7.478 -1.784 1.00 17.91 N ATOM 385 CA PHE A 43 -37.101 -6.447 -2.728 1.00 19.30 C ATOM 386 C PHE A 43 -35.957 -7.005 -3.556 1.00 19.85 C ATOM 387 O PHE A 43 -34.923 -7.391 -3.004 1.00 20.18 O ATOM 388 CB PHE A 43 -36.621 -5.187 -1.996 1.00 20.84 C ATOM 389 CG PHE A 43 -37.640 -4.591 -1.068 1.00 18.89 C ATOM 390 CD1 PHE A 43 -37.736 -5.021 0.246 1.00 20.36 C ATOM 391 CD2 PHE A 43 -38.493 -3.589 -1.504 1.00 24.57 C ATOM 392 CE1 PHE A 43 -38.672 -4.470 1.106 1.00 23.95 C ATOM 393 CE2 PHE A 43 -39.429 -3.034 -0.649 1.00 25.65 C ATOM 394 CZ PHE A 43 -39.519 -3.475 0.657 1.00 26.59 C ATOM 395 H PHE A 43 -36.791 -8.011 -1.272 1.00 0.00 H ATOM 396 N ARG A 44 -36.129 -7.037 -4.872 1.00 18.47 N ATOM 397 CA ARG A 44 -35.062 -7.476 -5.755 1.00 16.02 C ATOM 398 C ARG A 44 -34.217 -6.282 -6.183 1.00 15.47 C ATOM 399 O ARG A 44 -34.722 -5.167 -6.342 1.00 19.49 O ATOM 400 CB ARG A 44 -35.636 -8.198 -6.974 1.00 18.65 C ATOM 401 CG ARG A 44 -36.441 -9.442 -6.611 1.00 20.07 C ATOM 402 CD ARG A 44 -36.718 -10.326 -7.817 1.00 25.69 C ATOM 403 NE ARG A 44 -35.494 -10.630 -8.556 1.00 24.70 N ATOM 404 CZ ARG A 44 -34.590 -11.529 -8.180 1.00 28.54 C ATOM 405 NH1 ARG A 44 -34.757 -12.223 -7.062 1.00 31.79 N ATOM 406 NH2 ARG A 44 -33.508 -11.726 -8.922 1.00 30.51 N ATOM 407 HE ARG A 44 -35.318 -10.106 -9.437 1.00 0.00 H ATOM 408 HH12 ARG A 44 -34.045 -12.925 -6.774 1.00 0.00 H ATOM 409 HH11 ARG A 44 -35.600 -12.065 -6.473 1.00 0.00 H ATOM 410 HH22 ARG A 44 -32.799 -12.429 -8.631 1.00 0.00 H ATOM 411 HH21 ARG A 44 -33.369 -11.178 -9.795 1.00 0.00 H ATOM 412 H ARG A 44 -37.041 -6.744 -5.277 1.00 0.00 H ATOM 413 N ALA A 45 -32.919 -6.521 -6.357 1.00 12.98 N ATOM 414 CA ALA A 45 -31.983 -5.440 -6.640 1.00 12.83 C ATOM 415 C ALA A 45 -30.732 -6.012 -7.300 1.00 14.12 C ATOM 416 O ALA A 45 -30.601 -7.226 -7.492 1.00 13.84 O ATOM 417 CB ALA A 45 -31.645 -4.668 -5.360 1.00 14.27 C ATOM 418 H ALA A 45 -32.566 -7.497 -6.290 1.00 0.00 H ATOM 419 N HIS A 46 -29.815 -5.109 -7.657 1.00 12.74 N ATOM 420 CA HIS A 46 -28.495 -5.454 -8.173 1.00 15.18 C ATOM 421 C HIS A 46 -27.478 -5.297 -7.048 1.00 12.42 C ATOM 422 O HIS A 46 -27.374 -4.220 -6.448 1.00 12.58 O ATOM 423 CB HIS A 46 -28.113 -4.539 -9.340 1.00 14.71 C ATOM 424 CG HIS A 46 -29.101 -4.535 -10.468 1.00 11.90 C ATOM 425 ND1 HIS A 46 -30.050 -3.547 -10.622 1.00 13.84 N ATOM 426 CD2 HIS A 46 -29.286 -5.396 -11.499 1.00 13.14 C ATOM 427 CE1 HIS A 46 -30.773 -3.796 -11.699 1.00 16.32 C ATOM 428 NE2 HIS A 46 -30.331 -4.913 -12.248 1.00 14.61 N ATOM 429 H HIS A 46 -30.056 -4.102 -7.562 1.00 0.00 H ATOM 430 N LYS A 47 -26.713 -6.361 -6.784 1.00 12.64 N ATOM 431 CA LYS A 47 -25.718 -6.318 -5.715 1.00 12.86 C ATOM 432 C LYS A 47 -24.751 -5.151 -5.886 1.00 12.48 C ATOM 433 O LYS A 47 -24.363 -4.510 -4.904 1.00 13.97 O ATOM 434 CB LYS A 47 -24.940 -7.631 -5.669 1.00 15.41 C ATOM 435 CG LYS A 47 -25.744 -8.831 -5.220 1.00 18.38 C ATOM 436 CD LYS A 47 -24.875 -10.074 -5.254 1.00 18.83 C ATOM 437 CE LYS A 47 -25.687 -11.319 -5.032 1.00 19.59 C ATOM 438 NZ LYS A 47 -24.831 -12.541 -5.092 1.00 23.17 N ATOM 439 HZ1 LYS A 47 -24.380 -12.601 -6.027 1.00 0.00 H ATOM 440 HZ2 LYS A 47 -24.099 -12.486 -4.355 1.00 0.00 H ATOM 441 HZ3 LYS A 47 -25.420 -13.384 -4.935 1.00 0.00 H ATOM 442 H LYS A 47 -26.827 -7.229 -7.346 1.00 0.00 H ATOM 443 N THR A 48 -24.352 -4.862 -7.124 1.00 12.69 N ATOM 444 CA THR A 48 -23.370 -3.802 -7.350 1.00 14.50 C ATOM 445 C THR A 48 -23.889 -2.446 -6.890 1.00 12.44 C ATOM 446 O THR A 48 -23.136 -1.651 -6.312 1.00 16.24 O ATOM 447 CB THR A 48 -22.965 -3.759 -8.824 1.00 14.87 C ATOM 448 OG1 THR A 48 -24.140 -3.733 -9.647 1.00 18.55 O ATOM 449 CG2 THR A 48 -22.121 -4.971 -9.168 1.00 19.21 C ATOM 450 HG1 THR A 48 -24.678 -4.546 -9.477 1.00 0.00 H ATOM 451 H THR A 48 -24.740 -5.391 -7.931 1.00 0.00 H ATOM 452 N VAL A 49 -25.169 -2.158 -7.142 1.00 13.58 N ATOM 453 CA VAL A 49 -25.741 -0.892 -6.694 1.00 15.86 C ATOM 454 C VAL A 49 -25.839 -0.855 -5.174 1.00 14.04 C ATOM 455 O VAL A 49 -25.527 0.165 -4.544 1.00 14.04 O ATOM 456 CB VAL A 49 -27.093 -0.627 -7.382 1.00 13.45 C ATOM 457 CG1 VAL A 49 -27.747 0.623 -6.813 1.00 14.41 C ATOM 458 CG2 VAL A 49 -26.904 -0.489 -8.894 1.00 13.70 C ATOM 459 H VAL A 49 -25.761 -2.839 -7.660 1.00 0.00 H ATOM 460 N LEU A 50 -26.265 -1.963 -4.557 1.00 12.87 N ATOM 461 CA LEU A 50 -26.313 -2.025 -3.099 1.00 12.84 C ATOM 462 C LEU A 50 -24.932 -1.788 -2.498 1.00 12.96 C ATOM 463 O LEU A 50 -24.784 -1.016 -1.543 1.00 14.80 O ATOM 464 CB LEU A 50 -26.854 -3.381 -2.646 1.00 14.79 C ATOM 465 CG LEU A 50 -28.278 -3.772 -3.035 1.00 15.89 C ATOM 466 CD1 LEU A 50 -28.638 -5.113 -2.410 1.00 18.41 C ATOM 467 CD2 LEU A 50 -29.279 -2.690 -2.636 1.00 13.97 C ATOM 468 H LEU A 50 -26.564 -2.785 -5.119 1.00 0.00 H ATOM 469 N MET A 51 -23.908 -2.454 -3.042 1.00 15.29 N ATOM 470 CA MET A 51 -22.548 -2.282 -2.540 1.00 13.32 C ATOM 471 C MET A 51 -22.082 -0.841 -2.686 1.00 17.70 C ATOM 472 O MET A 51 -21.404 -0.306 -1.802 1.00 18.51 O ATOM 473 CB MET A 51 -21.581 -3.200 -3.295 1.00 18.04 C ATOM 474 CG MET A 51 -21.647 -4.671 -2.934 1.00 18.98 C ATOM 475 SD MET A 51 -20.315 -5.589 -3.748 1.00 21.48 S ATOM 476 CE MET A 51 -18.939 -5.246 -2.657 1.00 29.06 C ATOM 477 H MET A 51 -24.083 -3.104 -3.835 1.00 0.00 H ATOM 478 N ALA A 52 -22.419 -0.200 -3.808 1.00 14.82 N ATOM 479 CA ALA A 52 -21.939 1.155 -4.054 1.00 16.17 C ATOM 480 C ALA A 52 -22.563 2.161 -3.097 1.00 18.30 C ATOM 481 O ALA A 52 -21.967 3.211 -2.832 1.00 18.45 O ATOM 482 CB ALA A 52 -22.206 1.549 -5.507 1.00 17.84 C ATOM 483 H ALA A 52 -23.027 -0.669 -4.510 1.00 0.00 H ATOM 484 N CYS A 53 -23.742 1.855 -2.553 1.00 18.03 N ATOM 485 CA CYS A 53 -24.513 2.820 -1.784 1.00 15.85 C ATOM 486 C CYS A 53 -24.522 2.563 -0.284 1.00 13.85 C ATOM 487 O CYS A 53 -24.858 3.480 0.478 1.00 17.71 O ATOM 488 CB CYS A 53 -25.969 2.833 -2.269 1.00 13.94 C ATOM 489 SG CYS A 53 -26.162 3.376 -3.972 1.00 16.43 S ATOM 490 H CYS A 53 -24.122 0.896 -2.683 1.00 0.00 H ATOM 491 N SER A 54 -24.158 1.362 0.163 1.00 15.78 N ATOM 492 CA SER A 54 -24.392 0.953 1.542 1.00 13.48 C ATOM 493 C SER A 54 -23.157 0.260 2.092 1.00 16.53 C ATOM 494 O SER A 54 -22.644 -0.684 1.484 1.00 16.78 O ATOM 495 CB SER A 54 -25.598 0.008 1.620 1.00 14.72 C ATOM 496 OG SER A 54 -25.597 -0.744 2.823 1.00 16.31 O ATOM 497 HG SER A 54 -25.633 -0.127 3.596 1.00 0.00 H ATOM 498 H SER A 54 -23.694 0.698 -0.490 1.00 0.00 H ATOM 499 N GLY A 55 -22.693 0.731 3.251 1.00 15.48 N ATOM 500 CA GLY A 55 -21.569 0.086 3.905 1.00 17.78 C ATOM 501 C GLY A 55 -21.902 -1.293 4.431 1.00 18.81 C ATOM 502 O GLY A 55 -21.023 -2.156 4.514 1.00 18.51 O ATOM 503 H GLY A 55 -23.138 1.563 3.687 1.00 0.00 H ATOM 504 N LEU A 56 -23.167 -1.526 4.787 1.00 18.04 N ATOM 505 CA LEU A 56 -23.586 -2.865 5.188 1.00 16.29 C ATOM 506 C LEU A 56 -23.537 -3.827 4.008 1.00 14.98 C ATOM 507 O LEU A 56 -22.949 -4.912 4.100 1.00 16.46 O ATOM 508 CB LEU A 56 -24.996 -2.825 5.773 1.00 16.38 C ATOM 509 CG LEU A 56 -25.488 -4.204 6.215 1.00 19.54 C ATOM 510 CD1 LEU A 56 -24.700 -4.695 7.432 1.00 21.43 C ATOM 511 CD2 LEU A 56 -26.984 -4.193 6.502 1.00 24.29 C ATOM 512 H LEU A 56 -23.858 -0.749 4.779 1.00 0.00 H ATOM 513 N PHE A 57 -24.148 -3.445 2.884 1.00 14.97 N ATOM 514 CA PHE A 57 -24.144 -4.325 1.719 1.00 14.83 C ATOM 515 C PHE A 57 -22.746 -4.486 1.142 1.00 16.05 C ATOM 516 O PHE A 57 -22.407 -5.567 0.648 1.00 15.43 O ATOM 517 CB PHE A 57 -25.134 -3.831 0.666 1.00 14.24 C ATOM 518 CG PHE A 57 -26.570 -4.064 1.039 1.00 13.81 C ATOM 519 CD1 PHE A 57 -26.992 -5.321 1.447 1.00 14.98 C ATOM 520 CD2 PHE A 57 -27.492 -3.034 1.001 1.00 14.25 C ATOM 521 CE1 PHE A 57 -28.313 -5.546 1.802 1.00 15.26 C ATOM 522 CE2 PHE A 57 -28.816 -3.250 1.360 1.00 16.79 C ATOM 523 CZ PHE A 57 -29.223 -4.508 1.758 1.00 16.12 C ATOM 524 H PHE A 57 -24.626 -2.522 2.838 1.00 0.00 H ATOM 525 N TYR A 58 -21.921 -3.437 1.200 1.00 16.58 N ATOM 526 CA TYR A 58 -20.527 -3.592 0.803 1.00 14.45 C ATOM 527 C TYR A 58 -19.842 -4.657 1.644 1.00 15.75 C ATOM 528 O TYR A 58 -19.197 -5.566 1.109 1.00 18.65 O ATOM 529 CB TYR A 58 -19.767 -2.269 0.906 1.00 13.52 C ATOM 530 CG TYR A 58 -18.285 -2.452 0.654 1.00 18.00 C ATOM 531 CD1 TYR A 58 -17.774 -2.440 -0.638 1.00 20.58 C ATOM 532 CD2 TYR A 58 -17.399 -2.665 1.707 1.00 20.71 C ATOM 533 CE1 TYR A 58 -16.422 -2.623 -0.873 1.00 24.79 C ATOM 534 CE2 TYR A 58 -16.049 -2.852 1.481 1.00 25.90 C ATOM 535 CZ TYR A 58 -15.568 -2.829 0.191 1.00 26.92 C ATOM 536 OH TYR A 58 -14.224 -3.013 -0.034 1.00 35.62 O ATOM 537 HH TYR A 58 -14.044 -2.968 -1.007 1.00 0.00 H ATOM 538 H TYR A 58 -22.272 -2.514 1.527 1.00 0.00 H ATOM 539 N SER A 59 -19.971 -4.562 2.971 1.00 17.43 N ATOM 540 CA SER A 59 -19.299 -5.515 3.846 1.00 17.62 C ATOM 541 C SER A 59 -19.820 -6.933 3.647 1.00 18.40 C ATOM 542 O SER A 59 -19.067 -7.897 3.824 1.00 24.16 O ATOM 543 CB SER A 59 -19.440 -5.086 5.305 1.00 20.66 C ATOM 544 OG SER A 59 -18.767 -3.862 5.535 1.00 25.70 O ATOM 545 HG SER A 59 -19.155 -3.159 4.956 1.00 0.00 H ATOM 546 H SER A 59 -20.554 -3.805 3.381 1.00 0.00 H ATOM 547 N ILE A 60 -21.092 -7.079 3.281 1.00 19.42 N ATOM 548 CA ILE A 60 -21.650 -8.409 3.041 1.00 20.19 C ATOM 549 C ILE A 60 -21.070 -9.011 1.768 1.00 19.64 C ATOM 550 O ILE A 60 -20.464 -10.089 1.788 1.00 25.83 O ATOM 551 CB ILE A 60 -23.187 -8.351 2.991 1.00 20.40 C ATOM 552 CG1 ILE A 60 -23.762 -8.043 4.375 1.00 22.69 C ATOM 553 CG2 ILE A 60 -23.752 -9.658 2.442 1.00 24.25 C ATOM 554 CD1 ILE A 60 -25.259 -7.817 4.373 1.00 26.00 C ATOM 555 H ILE A 60 -21.694 -6.239 3.165 1.00 0.00 H ATOM 556 N PHE A 61 -21.239 -8.319 0.640 1.00 17.91 N ATOM 557 CA PHE A 61 -20.911 -8.903 -0.655 1.00 17.69 C ATOM 558 C PHE A 61 -19.422 -8.869 -0.981 1.00 24.27 C ATOM 559 O PHE A 61 -18.978 -9.647 -1.830 1.00 23.06 O ATOM 560 CB PHE A 61 -21.737 -8.247 -1.770 1.00 18.34 C ATOM 561 CG PHE A 61 -23.226 -8.398 -1.590 1.00 18.42 C ATOM 562 CD1 PHE A 61 -23.807 -9.656 -1.551 1.00 20.76 C ATOM 563 CD2 PHE A 61 -24.043 -7.286 -1.461 1.00 20.45 C ATOM 564 CE1 PHE A 61 -25.174 -9.803 -1.381 1.00 24.55 C ATOM 565 CE2 PHE A 61 -25.413 -7.426 -1.290 1.00 17.89 C ATOM 566 CZ PHE A 61 -25.977 -8.687 -1.251 1.00 19.38 C ATOM 567 H PHE A 61 -21.610 -7.349 0.685 1.00 0.00 H ATOM 568 N THR A 62 -18.637 -7.999 -0.343 1.00 21.84 N ATOM 569 CA THR A 62 -17.201 -8.013 -0.606 1.00 23.69 C ATOM 570 C THR A 62 -16.526 -9.241 -0.015 1.00 31.79 C ATOM 571 O THR A 62 -15.454 -9.634 -0.488 1.00 29.61 O ATOM 572 CB THR A 62 -16.526 -6.738 -0.089 1.00 28.87 C ATOM 573 OG1 THR A 62 -15.243 -6.592 -0.710 1.00 33.34 O ATOM 574 CG2 THR A 62 -16.333 -6.804 1.415 1.00 22.45 C ATOM 575 HG1 THR A 62 -14.680 -7.376 -0.491 1.00 0.00 H ATOM 576 H THR A 62 -19.043 -7.320 0.332 1.00 0.00 H ATOM 577 N ASP A 63 -17.132 -9.859 0.995 1.00 26.07 N ATOM 578 CA ASP A 63 -16.556 -11.035 1.631 1.00 31.77 C ATOM 579 C ASP A 63 -16.868 -12.263 0.784 1.00 24.83 C ATOM 580 O ASP A 63 -18.036 -12.537 0.484 1.00 24.20 O ATOM 581 CB ASP A 63 -17.130 -11.191 3.037 1.00 28.53 C ATOM 582 H ASP A 63 -18.042 -9.492 1.340 1.00 0.00 H ATOM 583 N GLN A 64 -15.823 -13.005 0.407 1.00 33.31 N ATOM 584 CA GLN A 64 -16.000 -14.179 -0.441 1.00 30.41 C ATOM 585 C GLN A 64 -16.932 -15.211 0.179 1.00 25.72 C ATOM 586 O GLN A 64 -17.503 -16.030 -0.549 1.00 30.28 O ATOM 587 CB GLN A 64 -14.644 -14.816 -0.748 1.00 34.78 C ATOM 588 H GLN A 64 -14.868 -12.742 0.723 1.00 0.00 H ATOM 589 N LEU A 65 -17.102 -15.188 1.502 1.00 29.30 N ATOM 590 CA LEU A 65 -17.985 -16.136 2.166 1.00 27.22 C ATOM 591 C LEU A 65 -19.457 -15.864 1.887 1.00 27.50 C ATOM 592 O LEU A 65 -20.275 -16.780 2.019 1.00 28.27 O ATOM 593 CB LEU A 65 -17.738 -16.100 3.674 1.00 31.62 C ATOM 594 CG LEU A 65 -16.314 -16.395 4.143 1.00 37.74 C ATOM 595 CD1 LEU A 65 -16.103 -15.842 5.538 1.00 38.66 C ATOM 596 CD2 LEU A 65 -16.046 -17.891 4.112 1.00 39.18 C ATOM 597 H LEU A 65 -16.594 -14.480 2.070 1.00 0.00 H ATOM 598 N LYS A 66 -19.813 -14.633 1.510 1.00 21.88 N ATOM 599 CA LYS A 66 -21.206 -14.264 1.286 1.00 21.34 C ATOM 600 C LYS A 66 -21.485 -13.667 -0.085 1.00 19.53 C ATOM 601 O LYS A 66 -22.657 -13.412 -0.393 1.00 20.62 O ATOM 602 CB LYS A 66 -21.681 -13.263 2.352 1.00 26.24 C ATOM 603 CG LYS A 66 -21.584 -13.756 3.787 1.00 28.41 C ATOM 604 CD LYS A 66 -22.015 -12.669 4.761 1.00 32.61 C ATOM 605 CE LYS A 66 -22.015 -13.170 6.195 1.00 37.51 C ATOM 606 NZ LYS A 66 -22.401 -12.089 7.143 1.00 39.57 N ATOM 607 HZ1 LYS A 66 -21.724 -11.303 7.065 1.00 0.00 H ATOM 608 HZ2 LYS A 66 -23.356 -11.750 6.910 1.00 0.00 H ATOM 609 HZ3 LYS A 66 -22.392 -12.462 8.114 1.00 0.00 H ATOM 610 H LYS A 66 -19.073 -13.915 1.372 1.00 0.00 H ATOM 611 N ARG A 67 -20.463 -13.437 -0.914 1.00 24.79 N ATOM 612 CA ARG A 67 -20.656 -12.705 -2.166 1.00 24.45 C ATOM 613 C ARG A 67 -21.697 -13.352 -3.074 1.00 21.76 C ATOM 614 O ARG A 67 -22.439 -12.653 -3.775 1.00 22.31 O ATOM 615 CB ARG A 67 -19.324 -12.550 -2.900 1.00 25.97 C ATOM 616 CG ARG A 67 -19.419 -11.679 -4.146 1.00 26.22 C ATOM 617 CD ARG A 67 -18.058 -11.417 -4.753 1.00 28.92 C ATOM 618 NE ARG A 67 -17.180 -10.677 -3.849 1.00 22.11 N ATOM 619 CZ ARG A 67 -15.912 -10.383 -4.119 1.00 25.71 C ATOM 620 NH1 ARG A 67 -15.371 -10.760 -5.271 1.00 28.04 N ATOM 621 NH2 ARG A 67 -15.182 -9.711 -3.239 1.00 32.21 N ATOM 622 HE ARG A 67 -17.571 -10.361 -2.939 1.00 0.00 H ATOM 623 HH12 ARG A 67 -14.379 -10.529 -5.480 1.00 0.00 H ATOM 624 HH11 ARG A 67 -15.939 -11.287 -5.965 1.00 0.00 H ATOM 625 HH22 ARG A 67 -14.190 -9.482 -3.453 1.00 0.00 H ATOM 626 HH21 ARG A 67 -15.601 -9.413 -2.335 1.00 0.00 H ATOM 627 H ARG A 67 -19.515 -13.784 -0.665 1.00 0.00 H ATOM 628 N ASN A 68 -21.778 -14.679 -3.072 1.00 21.15 N ATOM 629 CA ASN A 68 -22.627 -15.402 -4.010 1.00 22.07 C ATOM 630 C ASN A 68 -24.038 -15.661 -3.489 1.00 23.82 C ATOM 631 O ASN A 68 -24.815 -16.342 -4.165 1.00 27.21 O ATOM 632 CB ASN A 68 -21.952 -16.708 -4.433 1.00 22.69 C ATOM 633 CG ASN A 68 -20.644 -16.468 -5.157 1.00 30.16 C ATOM 634 OD1 ASN A 68 -19.585 -16.928 -4.727 1.00 35.82 O ATOM 635 ND2 ASN A 68 -20.709 -15.727 -6.256 1.00 25.80 N ATOM 636 HD22 ASN A 68 -21.626 -15.360 -6.582 1.00 0.00 H ATOM 637 HD21 ASN A 68 -19.843 -15.514 -6.791 1.00 0.00 H ATOM 638 H ASN A 68 -21.219 -15.217 -2.380 1.00 0.00 H ATOM 639 N LEU A 69 -24.391 -15.128 -2.322 1.00 22.11 N ATOM 640 CA LEU A 69 -25.731 -15.338 -1.791 1.00 24.48 C ATOM 641 C LEU A 69 -26.766 -14.687 -2.699 1.00 21.79 C ATOM 642 O LEU A 69 -26.552 -13.597 -3.230 1.00 22.99 O ATOM 643 CB LEU A 69 -25.831 -14.744 -0.387 1.00 27.76 C ATOM 644 CG LEU A 69 -25.032 -15.460 0.702 1.00 31.50 C ATOM 645 CD1 LEU A 69 -25.121 -14.699 2.017 1.00 29.48 C ATOM 646 CD2 LEU A 69 -25.535 -16.885 0.866 1.00 35.69 C ATOM 647 H LEU A 69 -23.706 -14.558 -1.786 1.00 0.00 H ATOM 648 N SER A 70 -27.892 -15.373 -2.892 1.00 23.48 N ATOM 649 CA SER A 70 -28.991 -14.831 -3.677 1.00 24.54 C ATOM 650 C SER A 70 -30.118 -14.277 -2.817 1.00 19.99 C ATOM 651 O SER A 70 -31.021 -13.625 -3.353 1.00 18.45 O ATOM 652 CB SER A 70 -29.545 -15.890 -4.639 1.00 29.52 C ATOM 653 OG SER A 70 -30.031 -17.017 -3.931 1.00 35.22 O ATOM 654 HG SER A 70 -30.382 -17.683 -4.574 1.00 0.00 H ATOM 655 H SER A 70 -27.988 -16.319 -2.471 1.00 0.00 H ATOM 656 N VAL A 71 -30.084 -14.518 -1.506 1.00 20.74 N ATOM 657 CA VAL A 71 -31.078 -14.020 -0.562 1.00 19.95 C ATOM 658 C VAL A 71 -30.343 -13.434 0.638 1.00 22.09 C ATOM 659 O VAL A 71 -29.438 -14.071 1.188 1.00 22.89 O ATOM 660 CB VAL A 71 -32.040 -15.134 -0.101 1.00 19.21 C ATOM 661 CG1 VAL A 71 -33.115 -14.566 0.819 1.00 23.36 C ATOM 662 CG2 VAL A 71 -32.666 -15.851 -1.293 1.00 29.16 C ATOM 663 H VAL A 71 -29.303 -15.095 -1.135 1.00 0.00 H ATOM 664 N ILE A 72 -30.726 -12.226 1.041 1.00 20.27 N ATOM 665 CA ILE A 72 -30.205 -11.596 2.250 1.00 19.86 C ATOM 666 C ILE A 72 -31.386 -11.266 3.149 1.00 18.32 C ATOM 667 O ILE A 72 -32.270 -10.490 2.764 1.00 20.31 O ATOM 668 CB ILE A 72 -29.387 -10.332 1.941 1.00 24.26 C ATOM 669 CG1 ILE A 72 -28.204 -10.663 1.030 1.00 24.67 C ATOM 670 CG2 ILE A 72 -28.902 -9.684 3.233 1.00 25.56 C ATOM 671 CD1 ILE A 72 -27.145 -11.515 1.693 1.00 22.01 C ATOM 672 H ILE A 72 -31.426 -11.709 0.471 1.00 0.00 H ATOM 673 N ASN A 73 -31.406 -11.854 4.341 1.00 20.76 N ATOM 674 CA ASN A 73 -32.431 -11.555 5.336 1.00 21.17 C ATOM 675 C ASN A 73 -31.910 -10.450 6.249 1.00 23.30 C ATOM 676 O ASN A 73 -30.953 -10.657 7.002 1.00 27.43 O ATOM 677 CB ASN A 73 -32.780 -12.805 6.138 1.00 23.53 C ATOM 678 CG ASN A 73 -33.405 -13.890 5.286 1.00 28.74 C ATOM 679 OD1 ASN A 73 -34.555 -13.775 4.861 1.00 33.59 O ATOM 680 ND2 ASN A 73 -32.655 -14.958 5.041 1.00 30.39 N ATOM 681 HD22 ASN A 73 -31.688 -15.013 5.420 1.00 0.00 H ATOM 682 HD21 ASN A 73 -33.034 -15.740 4.470 1.00 0.00 H ATOM 683 H ASN A 73 -30.668 -12.549 4.572 1.00 0.00 H ATOM 684 N LEU A 74 -32.537 -9.278 6.184 1.00 21.80 N ATOM 685 CA LEU A 74 -32.167 -8.191 7.077 1.00 22.33 C ATOM 686 C LEU A 74 -32.756 -8.412 8.468 1.00 22.44 C ATOM 687 O LEU A 74 -33.632 -9.258 8.679 1.00 24.48 O ATOM 688 CB LEU A 74 -32.652 -6.846 6.533 1.00 24.68 C ATOM 689 CG LEU A 74 -32.055 -6.371 5.207 1.00 20.13 C ATOM 690 CD1 LEU A 74 -32.441 -4.923 4.944 1.00 26.41 C ATOM 691 CD2 LEU A 74 -30.550 -6.540 5.202 1.00 18.49 C ATOM 692 H LEU A 74 -33.298 -9.138 5.489 1.00 0.00 H ATOM 693 N ASP A 75 -32.248 -7.639 9.424 1.00 22.97 N ATOM 694 CA ASP A 75 -32.795 -7.580 10.769 1.00 23.79 C ATOM 695 C ASP A 75 -34.310 -7.388 10.683 1.00 27.47 C ATOM 696 O ASP A 75 -34.768 -6.414 10.069 1.00 25.36 O ATOM 697 CB ASP A 75 -32.150 -6.381 11.464 1.00 23.50 C ATOM 698 CG ASP A 75 -32.642 -6.171 12.889 1.00 28.73 C ATOM 699 OD1 ASP A 75 -33.475 -6.958 13.382 1.00 31.77 O ATOM 700 OD2 ASP A 75 -32.186 -5.195 13.518 1.00 30.99 O ATOM 701 H ASP A 75 -31.421 -7.050 9.198 1.00 0.00 H ATOM 702 N PRO A 76 -35.109 -8.293 11.257 1.00 32.12 N ATOM 703 CA PRO A 76 -36.571 -8.163 11.141 1.00 32.33 C ATOM 704 C PRO A 76 -37.144 -6.939 11.838 1.00 32.47 C ATOM 705 O PRO A 76 -38.315 -6.612 11.605 1.00 38.11 O ATOM 706 CB PRO A 76 -37.095 -9.464 11.763 1.00 36.25 C ATOM 707 CG PRO A 76 -36.000 -9.908 12.682 1.00 38.77 C ATOM 708 CD PRO A 76 -34.718 -9.498 12.009 1.00 30.02 C ATOM 709 N GLU A 77 -36.368 -6.254 12.680 1.00 29.21 N ATOM 710 CA GLU A 77 -36.828 -4.996 13.252 1.00 30.13 C ATOM 711 C GLU A 77 -36.840 -3.862 12.236 1.00 31.06 C ATOM 712 O GLU A 77 -37.417 -2.807 12.517 1.00 31.18 O ATOM 713 CB GLU A 77 -35.969 -4.607 14.459 1.00 37.46 C ATOM 714 CG GLU A 77 -36.044 -5.584 15.624 1.00 36.63 C ATOM 715 CD GLU A 77 -37.441 -5.701 16.200 1.00 36.94 C ATOM 716 OE1 GLU A 77 -38.168 -4.685 16.214 1.00 38.80 O ATOM 717 OE2 GLU A 77 -37.815 -6.811 16.634 1.00 44.25 O ATOM 718 H GLU A 77 -35.428 -6.621 12.930 1.00 0.00 H ATOM 719 N ILE A 78 -36.227 -4.055 11.067 1.00 28.63 N ATOM 720 CA ILE A 78 -36.190 -3.008 10.056 1.00 30.53 C ATOM 721 C ILE A 78 -37.571 -2.833 9.438 1.00 32.26 C ATOM 722 O ILE A 78 -38.249 -3.809 9.091 1.00 31.74 O ATOM 723 CB ILE A 78 -35.125 -3.330 8.994 1.00 27.47 C ATOM 724 CG1 ILE A 78 -33.735 -3.361 9.632 1.00 33.05 C ATOM 725 CG2 ILE A 78 -35.164 -2.312 7.872 1.00 32.49 C ATOM 726 CD1 ILE A 78 -33.359 -2.071 10.331 1.00 34.63 C ATOM 727 H ILE A 78 -35.768 -4.968 10.875 1.00 0.00 H ATOM 728 N ASN A 79 -37.993 -1.582 9.305 1.00 30.04 N ATOM 729 CA ASN A 79 -39.298 -1.272 8.741 1.00 32.48 C ATOM 730 C ASN A 79 -39.237 -1.369 7.222 1.00 27.73 C ATOM 731 O ASN A 79 -38.364 -0.745 6.607 1.00 26.99 O ATOM 732 CB ASN A 79 -39.711 0.131 9.158 1.00 31.10 C ATOM 733 CG ASN A 79 -40.957 0.607 8.447 1.00 38.25 C ATOM 734 OD1 ASN A 79 -40.895 1.482 7.588 1.00 34.85 O ATOM 735 ND2 ASN A 79 -42.099 0.031 8.803 1.00 50.39 N ATOM 736 HD22 ASN A 79 -42.103 -0.707 9.536 1.00 0.00 H ATOM 737 HD21 ASN A 79 -42.990 0.317 8.349 1.00 0.00 H ATOM 738 H ASN A 79 -37.375 -0.803 9.612 1.00 0.00 H ATOM 739 N PRO A 80 -40.125 -2.136 6.582 1.00 27.11 N ATOM 740 CA PRO A 80 -40.038 -2.288 5.119 1.00 27.10 C ATOM 741 C PRO A 80 -40.204 -0.988 4.353 1.00 25.93 C ATOM 742 O PRO A 80 -39.526 -0.789 3.337 1.00 26.11 O ATOM 743 CB PRO A 80 -41.153 -3.294 4.803 1.00 34.24 C ATOM 744 CG PRO A 80 -41.379 -4.027 6.085 1.00 30.41 C ATOM 745 CD PRO A 80 -41.145 -3.020 7.171 1.00 27.88 C ATOM 746 N GLU A 81 -41.086 -0.092 4.804 1.00 32.22 N ATOM 747 CA GLU A 81 -41.259 1.172 4.095 1.00 31.13 C ATOM 748 C GLU A 81 -39.990 2.012 4.151 1.00 28.93 C ATOM 749 O GLU A 81 -39.590 2.613 3.147 1.00 26.51 O ATOM 750 CB GLU A 81 -42.451 1.951 4.649 1.00 31.42 C ATOM 751 CG GLU A 81 -42.850 3.121 3.761 1.00 34.87 C ATOM 752 CD GLU A 81 -43.910 4.003 4.380 1.00 39.36 C ATOM 753 OE1 GLU A 81 -44.329 3.727 5.524 1.00 37.13 O ATOM 754 OE2 GLU A 81 -44.321 4.980 3.719 1.00 42.76 O ATOM 755 H GLU A 81 -41.647 -0.294 5.656 1.00 0.00 H ATOM 756 N GLY A 82 -39.339 2.058 5.316 1.00 26.85 N ATOM 757 CA GLY A 82 -38.083 2.782 5.422 1.00 27.65 C ATOM 758 C GLY A 82 -37.005 2.216 4.518 1.00 27.88 C ATOM 759 O GLY A 82 -36.232 2.963 3.912 1.00 24.35 O ATOM 760 H GLY A 82 -39.731 1.575 6.149 1.00 0.00 H ATOM 761 N PHE A 83 -36.939 0.887 4.409 1.00 23.42 N ATOM 762 CA PHE A 83 -35.973 0.290 3.493 1.00 24.34 C ATOM 763 C PHE A 83 -36.311 0.620 2.044 1.00 22.57 C ATOM 764 O PHE A 83 -35.415 0.927 1.250 1.00 23.05 O ATOM 765 CB PHE A 83 -35.882 -1.222 3.698 1.00 24.32 C ATOM 766 CG PHE A 83 -34.950 -1.897 2.730 1.00 23.32 C ATOM 767 CD1 PHE A 83 -33.585 -1.917 2.967 1.00 26.36 C ATOM 768 CD2 PHE A 83 -35.434 -2.489 1.573 1.00 19.78 C ATOM 769 CE1 PHE A 83 -32.720 -2.522 2.070 1.00 19.82 C ATOM 770 CE2 PHE A 83 -34.575 -3.098 0.676 1.00 22.28 C ATOM 771 CZ PHE A 83 -33.218 -3.113 0.924 1.00 23.57 C ATOM 772 H PHE A 83 -37.571 0.283 4.972 1.00 0.00 H ATOM 773 N ASN A 84 -37.598 0.569 1.682 1.00 24.33 N ATOM 774 CA ASN A 84 -37.989 0.874 0.308 1.00 23.85 C ATOM 775 C ASN A 84 -37.638 2.311 -0.060 1.00 20.37 C ATOM 776 O ASN A 84 -37.206 2.585 -1.185 1.00 23.38 O ATOM 777 CB ASN A 84 -39.482 0.610 0.113 1.00 22.87 C ATOM 778 CG ASN A 84 -39.912 0.751 -1.336 1.00 28.21 C ATOM 779 OD1 ASN A 84 -39.475 -0.007 -2.200 1.00 36.84 O ATOM 780 ND2 ASN A 84 -40.778 1.721 -1.606 1.00 32.96 N ATOM 781 HD22 ASN A 84 -41.121 2.339 -0.843 1.00 0.00 H ATOM 782 HD21 ASN A 84 -41.113 1.863 -2.580 1.00 0.00 H ATOM 783 H ASN A 84 -38.323 0.311 2.382 1.00 0.00 H ATOM 784 N ILE A 85 -37.805 3.239 0.883 1.00 21.85 N ATOM 785 CA ILE A 85 -37.424 4.629 0.648 1.00 23.14 C ATOM 786 C ILE A 85 -35.933 4.733 0.348 1.00 22.09 C ATOM 787 O ILE A 85 -35.513 5.455 -0.565 1.00 23.39 O ATOM 788 CB ILE A 85 -37.843 5.497 1.850 1.00 22.80 C ATOM 789 CG1 ILE A 85 -39.367 5.669 1.876 1.00 25.26 C ATOM 790 CG2 ILE A 85 -37.138 6.842 1.815 1.00 24.98 C ATOM 791 CD1 ILE A 85 -39.899 6.310 3.139 1.00 27.86 C ATOM 792 H ILE A 85 -38.213 2.968 1.801 1.00 0.00 H ATOM 793 N LEU A 86 -35.112 3.997 1.099 1.00 20.70 N ATOM 794 CA LEU A 86 -33.669 4.055 0.893 1.00 20.47 C ATOM 795 C LEU A 86 -33.255 3.335 -0.385 1.00 19.79 C ATOM 796 O LEU A 86 -32.336 3.781 -1.082 1.00 18.86 O ATOM 797 CB LEU A 86 -32.946 3.490 2.115 1.00 21.24 C ATOM 798 CG LEU A 86 -33.085 4.366 3.360 1.00 24.67 C ATOM 799 CD1 LEU A 86 -32.520 3.656 4.565 1.00 26.35 C ATOM 800 CD2 LEU A 86 -32.386 5.694 3.145 1.00 23.82 C ATOM 801 H LEU A 86 -35.504 3.377 1.837 1.00 0.00 H ATOM 802 N LEU A 87 -33.909 2.214 -0.703 1.00 17.15 N ATOM 803 CA LEU A 87 -33.625 1.525 -1.959 1.00 16.50 C ATOM 804 C LEU A 87 -33.966 2.403 -3.156 1.00 19.99 C ATOM 805 O LEU A 87 -33.202 2.462 -4.128 1.00 17.48 O ATOM 806 CB LEU A 87 -34.383 0.197 -2.016 1.00 17.87 C ATOM 807 CG LEU A 87 -34.171 -0.685 -3.249 1.00 17.75 C ATOM 808 CD1 LEU A 87 -32.725 -1.131 -3.349 1.00 19.95 C ATOM 809 CD2 LEU A 87 -35.100 -1.892 -3.197 1.00 23.03 C ATOM 810 H LEU A 87 -34.624 1.830 -0.053 1.00 0.00 H ATOM 811 N ASP A 88 -35.109 3.093 -3.105 1.00 20.16 N ATOM 812 CA ASP A 88 -35.430 4.061 -4.150 1.00 19.44 C ATOM 813 C ASP A 88 -34.366 5.149 -4.236 1.00 22.24 C ATOM 814 O ASP A 88 -33.956 5.539 -5.336 1.00 19.42 O ATOM 815 CB ASP A 88 -36.808 4.677 -3.900 1.00 22.37 C ATOM 816 CG ASP A 88 -37.940 3.786 -4.364 1.00 28.70 C ATOM 817 OD1 ASP A 88 -37.667 2.795 -5.072 1.00 31.20 O ATOM 818 OD2 ASP A 88 -39.104 4.080 -4.022 1.00 29.35 O ATOM 819 H ASP A 88 -35.772 2.940 -2.319 1.00 0.00 H ATOM 820 N PHE A 89 -33.897 5.643 -3.085 1.00 19.93 N ATOM 821 CA PHE A 89 -32.860 6.671 -3.094 1.00 20.47 C ATOM 822 C PHE A 89 -31.596 6.178 -3.787 1.00 17.76 C ATOM 823 O PHE A 89 -30.998 6.900 -4.595 1.00 18.18 O ATOM 824 CB PHE A 89 -32.532 7.133 -1.674 1.00 18.74 C ATOM 825 CG PHE A 89 -31.223 7.860 -1.585 1.00 17.77 C ATOM 826 CD1 PHE A 89 -31.129 9.181 -1.984 1.00 21.91 C ATOM 827 CD2 PHE A 89 -30.076 7.211 -1.149 1.00 20.24 C ATOM 828 CE1 PHE A 89 -29.923 9.851 -1.929 1.00 26.43 C ATOM 829 CE2 PHE A 89 -28.866 7.879 -1.096 1.00 18.06 C ATOM 830 CZ PHE A 89 -28.792 9.201 -1.483 1.00 21.60 C ATOM 831 H PHE A 89 -34.272 5.294 -2.180 1.00 0.00 H ATOM 832 N MET A 90 -31.163 4.952 -3.474 1.00 19.47 N ATOM 833 CA MET A 90 -29.976 4.393 -4.117 1.00 14.67 C ATOM 834 C MET A 90 -30.070 4.495 -5.633 1.00 18.36 C ATOM 835 O MET A 90 -29.089 4.833 -6.304 1.00 17.05 O ATOM 836 CB MET A 90 -29.795 2.925 -3.725 1.00 14.91 C ATOM 837 CG MET A 90 -29.584 2.659 -2.250 1.00 17.91 C ATOM 838 SD MET A 90 -29.258 0.910 -1.952 1.00 16.16 S ATOM 839 CE MET A 90 -29.380 0.850 -0.169 1.00 19.75 C ATOM 840 H MET A 90 -31.677 4.390 -2.765 1.00 0.00 H ATOM 841 N TYR A 91 -31.251 4.230 -6.186 1.00 14.42 N ATOM 842 CA TYR A 91 -31.448 4.135 -7.626 1.00 13.82 C ATOM 843 C TYR A 91 -31.896 5.441 -8.273 1.00 16.07 C ATOM 844 O TYR A 91 -32.013 5.487 -9.504 1.00 17.18 O ATOM 845 CB TYR A 91 -32.471 3.036 -7.941 1.00 17.11 C ATOM 846 CG TYR A 91 -31.902 1.634 -7.992 1.00 15.14 C ATOM 847 CD1 TYR A 91 -31.854 0.833 -6.854 1.00 13.00 C ATOM 848 CD2 TYR A 91 -31.429 1.104 -9.186 1.00 16.32 C ATOM 849 CE1 TYR A 91 -31.337 -0.452 -6.907 1.00 14.15 C ATOM 850 CE2 TYR A 91 -30.913 -0.174 -9.245 1.00 15.54 C ATOM 851 CZ TYR A 91 -30.871 -0.950 -8.109 1.00 12.74 C ATOM 852 OH TYR A 91 -30.363 -2.228 -8.169 1.00 16.12 O ATOM 853 HH TYR A 91 -30.897 -2.764 -8.807 1.00 0.00 H ATOM 854 H TYR A 91 -32.070 4.084 -5.562 1.00 0.00 H ATOM 855 N THR A 92 -32.154 6.497 -7.495 1.00 17.91 N ATOM 856 CA THR A 92 -32.715 7.728 -8.046 1.00 17.00 C ATOM 857 C THR A 92 -32.022 9.011 -7.611 1.00 18.55 C ATOM 858 O THR A 92 -32.240 10.041 -8.259 1.00 20.85 O ATOM 859 CB THR A 92 -34.211 7.859 -7.709 1.00 18.10 C ATOM 860 OG1 THR A 92 -34.376 7.989 -6.290 1.00 19.59 O ATOM 861 CG2 THR A 92 -35.003 6.654 -8.205 1.00 20.92 C ATOM 862 HG1 THR A 92 -34.006 7.188 -5.841 1.00 0.00 H ATOM 863 H THR A 92 -31.951 6.441 -6.477 1.00 0.00 H ATOM 864 N SER A 93 -31.217 8.997 -6.545 1.00 18.74 N ATOM 865 CA SER A 93 -30.629 10.187 -5.927 1.00 20.75 C ATOM 866 C SER A 93 -31.662 11.073 -5.241 1.00 22.01 C ATOM 867 O SER A 93 -31.344 12.214 -4.877 1.00 21.92 O ATOM 868 CB SER A 93 -29.783 11.029 -6.893 1.00 18.23 C ATOM 869 OG SER A 93 -28.816 10.238 -7.551 1.00 22.43 O ATOM 870 HG SER A 93 -29.270 9.526 -8.068 1.00 0.00 H ATOM 871 H SER A 93 -30.992 8.073 -6.123 1.00 0.00 H ATOM 872 N ARG A 94 -32.888 10.588 -5.061 1.00 22.62 N ATOM 873 CA ARG A 94 -33.965 11.359 -4.457 1.00 26.28 C ATOM 874 C ARG A 94 -34.448 10.654 -3.197 1.00 23.54 C ATOM 875 O ARG A 94 -34.756 9.457 -3.226 1.00 23.09 O ATOM 876 CB ARG A 94 -35.108 11.570 -5.456 1.00 25.47 C ATOM 877 CG ARG A 94 -34.639 12.229 -6.747 1.00 32.50 C ATOM 878 CD ARG A 94 -35.784 12.686 -7.632 1.00 39.35 C ATOM 879 NE ARG A 94 -35.290 13.424 -8.793 1.00 46.36 N ATOM 880 CZ ARG A 94 -36.052 14.151 -9.603 1.00 46.77 C ATOM 881 NH1 ARG A 94 -37.355 14.250 -9.383 1.00 49.72 N ATOM 882 NH2 ARG A 94 -35.506 14.787 -10.631 1.00 49.34 N ATOM 883 HE ARG A 94 -34.272 13.377 -8.999 1.00 0.00 H ATOM 884 HH12 ARG A 94 -37.948 14.820 -10.019 1.00 0.00 H ATOM 885 HH11 ARG A 94 -37.785 13.758 -8.574 1.00 0.00 H ATOM 886 HH22 ARG A 94 -36.101 15.356 -11.266 1.00 0.00 H ATOM 887 HH21 ARG A 94 -34.483 14.716 -10.802 1.00 0.00 H ATOM 888 H ARG A 94 -33.086 9.614 -5.366 1.00 0.00 H ATOM 889 N LEU A 95 -34.505 11.398 -2.096 1.00 24.39 N ATOM 890 CA LEU A 95 -34.804 10.856 -0.776 1.00 27.36 C ATOM 891 C LEU A 95 -36.140 11.413 -0.301 1.00 31.09 C ATOM 892 O LEU A 95 -36.303 12.632 -0.183 1.00 30.42 O ATOM 893 CB LEU A 95 -33.690 11.220 0.205 1.00 30.21 C ATOM 894 CG LEU A 95 -33.788 10.683 1.632 1.00 26.06 C ATOM 895 CD1 LEU A 95 -33.703 9.168 1.650 1.00 23.67 C ATOM 896 CD2 LEU A 95 -32.689 11.291 2.485 1.00 28.23 C ATOM 897 H LEU A 95 -34.327 12.419 -2.181 1.00 0.00 H ATOM 898 N ASN A 96 -37.089 10.517 -0.023 1.00 26.14 N ATOM 899 CA ASN A 96 -38.448 10.909 0.354 1.00 28.34 C ATOM 900 C ASN A 96 -38.554 10.943 1.876 1.00 33.35 C ATOM 901 O ASN A 96 -39.045 10.016 2.524 1.00 37.30 O ATOM 902 CB ASN A 96 -39.461 9.956 -0.266 1.00 33.56 C ATOM 903 CG ASN A 96 -40.892 10.320 0.076 1.00 41.87 C ATOM 904 OD1 ASN A 96 -41.214 11.487 0.306 1.00 45.05 O ATOM 905 ND2 ASN A 96 -41.762 9.318 0.112 1.00 44.43 N ATOM 906 HD22 ASN A 96 -41.446 8.348 -0.089 1.00 0.00 H ATOM 907 HD21 ASN A 96 -42.759 9.503 0.341 1.00 0.00 H ATOM 908 H ASN A 96 -36.855 9.505 -0.076 1.00 0.00 H ATOM 909 N LEU A 97 -38.078 12.044 2.454 1.00 31.12 N ATOM 910 CA LEU A 97 -38.210 12.287 3.884 1.00 37.65 C ATOM 911 C LEU A 97 -39.518 13.024 4.138 1.00 38.91 C ATOM 912 O LEU A 97 -39.742 14.109 3.589 1.00 40.74 O ATOM 913 CB LEU A 97 -37.034 13.109 4.412 1.00 41.53 C ATOM 914 CG LEU A 97 -35.656 12.447 4.467 1.00 37.18 C ATOM 915 CD1 LEU A 97 -34.666 13.337 5.209 1.00 32.24 C ATOM 916 CD2 LEU A 97 -35.736 11.072 5.116 1.00 35.80 C ATOM 917 H LEU A 97 -37.596 12.753 1.865 1.00 0.00 H ATOM 918 N ARG A 98 -40.376 12.436 4.966 1.00 39.54 N ATOM 919 CA ARG A 98 -41.638 13.037 5.366 1.00 39.42 C ATOM 920 C ARG A 98 -41.727 13.021 6.885 1.00 41.28 C ATOM 921 O ARG A 98 -40.913 12.397 7.572 1.00 42.20 O ATOM 922 CB ARG A 98 -42.830 12.287 4.755 1.00 42.90 C ATOM 923 CG ARG A 98 -42.900 12.360 3.238 1.00 51.22 C ATOM 924 CD ARG A 98 -43.679 11.190 2.662 1.00 53.28 C ATOM 925 NE ARG A 98 -44.676 11.622 1.687 1.00 59.97 N ATOM 926 CZ ARG A 98 -45.291 10.806 0.837 1.00 59.34 C ATOM 927 NH1 ARG A 98 -46.189 11.286 -0.014 1.00 58.46 N ATOM 928 NH2 ARG A 98 -45.002 9.512 0.832 1.00 57.62 N ATOM 929 HE ARG A 98 -44.921 12.632 1.656 1.00 0.00 H ATOM 930 HH12 ARG A 98 -46.670 10.646 -0.679 1.00 0.00 H ATOM 931 HH11 ARG A 98 -46.412 12.302 -0.016 1.00 0.00 H ATOM 932 HH22 ARG A 98 -45.484 8.874 0.167 1.00 0.00 H ATOM 933 HH21 ARG A 98 -44.294 9.135 1.493 1.00 0.00 H ATOM 934 H ARG A 98 -40.132 11.499 5.347 1.00 0.00 H ATOM 935 N VAL A 99 -42.731 13.724 7.414 1.00 44.51 N ATOM 936 CA VAL A 99 -42.934 13.730 8.860 1.00 48.12 C ATOM 937 C VAL A 99 -43.272 12.331 9.359 1.00 45.86 C ATOM 938 O VAL A 99 -42.871 11.933 10.459 1.00 48.28 O ATOM 939 CB VAL A 99 -44.003 14.767 9.257 1.00 54.39 C ATOM 940 CG1 VAL A 99 -43.485 16.178 9.030 1.00 54.17 C ATOM 941 CG2 VAL A 99 -45.289 14.532 8.478 1.00 56.43 C ATOM 942 H VAL A 99 -43.368 14.267 6.797 1.00 0.00 H ATOM 943 N GLY A 100 -43.995 11.556 8.551 1.00 48.17 N ATOM 944 CA GLY A 100 -44.451 10.245 8.969 1.00 46.66 C ATOM 945 C GLY A 100 -43.472 9.110 8.765 1.00 42.01 C ATOM 946 O GLY A 100 -43.753 7.992 9.207 1.00 45.83 O ATOM 947 H GLY A 100 -44.237 11.899 7.600 1.00 0.00 H ATOM 948 N ASN A 101 -42.331 9.358 8.116 1.00 41.86 N ATOM 949 CA ASN A 101 -41.361 8.303 7.854 1.00 35.88 C ATOM 950 C ASN A 101 -39.947 8.603 8.334 1.00 39.05 C ATOM 951 O ASN A 101 -39.090 7.719 8.239 1.00 38.54 O ATOM 952 CB ASN A 101 -41.336 7.927 6.358 1.00 33.75 C ATOM 953 CG ASN A 101 -40.842 9.060 5.457 1.00 38.22 C ATOM 954 OD1 ASN A 101 -39.997 9.867 5.841 1.00 33.92 O ATOM 955 ND2 ASN A 101 -41.370 9.111 4.240 1.00 38.64 N ATOM 956 HD22 ASN A 101 -42.082 8.410 3.952 1.00 0.00 H ATOM 957 HD21 ASN A 101 -41.071 9.852 3.574 1.00 0.00 H ATOM 958 H ASN A 101 -42.131 10.325 7.791 1.00 0.00 H ATOM 959 N ILE A 102 -39.683 9.803 8.856 1.00 36.49 N ATOM 960 CA ILE A 102 -38.303 10.241 9.070 1.00 40.05 C ATOM 961 C ILE A 102 -37.580 9.325 10.054 1.00 36.99 C ATOM 962 O ILE A 102 -36.437 8.915 9.817 1.00 36.54 O ATOM 963 CB ILE A 102 -38.259 11.718 9.501 1.00 39.80 C ATOM 964 CG1 ILE A 102 -36.849 12.104 9.957 1.00 38.27 C ATOM 965 CG2 ILE A 102 -39.288 11.993 10.589 1.00 45.24 C ATOM 966 CD1 ILE A 102 -35.826 12.134 8.840 1.00 38.08 C ATOM 967 H ILE A 102 -40.468 10.435 9.114 1.00 0.00 H ATOM 968 N MET A 103 -38.232 8.989 11.170 1.00 36.62 N ATOM 969 CA MET A 103 -37.580 8.158 12.178 1.00 37.61 C ATOM 970 C MET A 103 -37.292 6.759 11.646 1.00 39.49 C ATOM 971 O MET A 103 -36.224 6.194 11.912 1.00 34.47 O ATOM 972 CB MET A 103 -38.434 8.105 13.445 1.00 38.98 C ATOM 973 CG MET A 103 -38.787 9.477 14.002 1.00 49.13 C ATOM 974 SD MET A 103 -37.327 10.482 14.333 1.00 41.97 S ATOM 975 CE MET A 103 -36.481 9.437 15.514 1.00 52.59 C ATOM 976 H MET A 103 -39.206 9.320 11.321 1.00 0.00 H ATOM 977 N ALA A 104 -38.227 6.188 10.883 1.00 33.16 N ATOM 978 CA ALA A 104 -38.000 4.870 10.301 1.00 33.66 C ATOM 979 C ALA A 104 -36.883 4.914 9.267 1.00 32.47 C ATOM 980 O ALA A 104 -36.029 4.020 9.230 1.00 29.24 O ATOM 981 CB ALA A 104 -39.294 4.341 9.683 1.00 33.41 C ATOM 982 H ALA A 104 -39.122 6.686 10.703 1.00 0.00 H ATOM 983 N VAL A 105 -36.865 5.953 8.430 1.00 29.35 N ATOM 984 CA VAL A 105 -35.818 6.083 7.418 1.00 30.79 C ATOM 985 C VAL A 105 -34.456 6.249 8.078 1.00 31.38 C ATOM 986 O VAL A 105 -33.465 5.634 7.666 1.00 28.42 O ATOM 987 CB VAL A 105 -36.134 7.248 6.464 1.00 30.68 C ATOM 988 CG1 VAL A 105 -34.959 7.493 5.528 1.00 30.16 C ATOM 989 CG2 VAL A 105 -37.395 6.955 5.674 1.00 35.51 C ATOM 990 H VAL A 105 -37.606 6.680 8.498 1.00 0.00 H ATOM 991 N MET A 106 -34.386 7.089 9.110 1.00 30.84 N ATOM 992 CA MET A 106 -33.109 7.375 9.753 1.00 29.17 C ATOM 993 C MET A 106 -32.521 6.123 10.392 1.00 27.09 C ATOM 994 O MET A 106 -31.347 5.795 10.179 1.00 25.83 O ATOM 995 CB MET A 106 -33.297 8.478 10.794 1.00 39.02 C ATOM 996 CG MET A 106 -32.004 8.967 11.414 1.00 37.95 C ATOM 997 SD MET A 106 -32.276 10.349 12.530 1.00 44.81 S ATOM 998 CE MET A 106 -30.929 11.423 12.055 1.00 35.93 C ATOM 999 H MET A 106 -35.252 7.546 9.461 1.00 0.00 H ATOM 1000 N ALA A 107 -33.324 5.412 11.188 1.00 27.95 N ATOM 1001 CA ALA A 107 -32.831 4.205 11.842 1.00 30.62 C ATOM 1002 C ALA A 107 -32.413 3.165 10.816 1.00 28.49 C ATOM 1003 O ALA A 107 -31.420 2.452 11.009 1.00 25.74 O ATOM 1004 CB ALA A 107 -33.897 3.640 12.780 1.00 28.85 C ATOM 1005 H ALA A 107 -34.305 5.720 11.342 1.00 0.00 H ATOM 1006 N THR A 108 -33.152 3.072 9.708 1.00 28.19 N ATOM 1007 CA THR A 108 -32.770 2.147 8.650 1.00 25.81 C ATOM 1008 C THR A 108 -31.451 2.565 8.011 1.00 23.93 C ATOM 1009 O THR A 108 -30.589 1.720 7.747 1.00 23.41 O ATOM 1010 CB THR A 108 -33.889 2.056 7.612 1.00 24.93 C ATOM 1011 OG1 THR A 108 -35.137 1.824 8.279 1.00 27.96 O ATOM 1012 CG2 THR A 108 -33.620 0.919 6.624 1.00 23.61 C ATOM 1013 HG1 THR A 108 -35.321 2.572 8.901 1.00 0.00 H ATOM 1014 H THR A 108 -34.002 3.661 9.600 1.00 0.00 H ATOM 1015 N ALA A 109 -31.264 3.871 7.784 1.00 22.05 N ATOM 1016 CA ALA A 109 -30.034 4.341 7.154 1.00 22.18 C ATOM 1017 C ALA A 109 -28.815 4.098 8.035 1.00 22.86 C ATOM 1018 O ALA A 109 -27.728 3.815 7.518 1.00 21.68 O ATOM 1019 CB ALA A 109 -30.155 5.818 6.782 1.00 23.58 C ATOM 1020 H ALA A 109 -31.999 4.554 8.058 1.00 0.00 H ATOM 1021 N MET A 110 -28.970 4.216 9.356 1.00 22.46 N ATOM 1022 CA MET A 110 -27.888 3.848 10.264 1.00 26.48 C ATOM 1023 C MET A 110 -27.537 2.373 10.114 1.00 21.37 C ATOM 1024 O MET A 110 -26.361 2.006 10.007 1.00 23.01 O ATOM 1025 CB MET A 110 -28.298 4.148 11.706 1.00 26.90 C ATOM 1026 CG MET A 110 -28.512 5.624 12.027 1.00 28.42 C ATOM 1027 SD MET A 110 -29.112 5.885 13.710 1.00 31.96 S ATOM 1028 CE MET A 110 -27.912 4.937 14.642 1.00 32.41 C ATOM 1029 H MET A 110 -29.868 4.573 9.741 1.00 0.00 H ATOM 1030 N TYR A 111 -28.557 1.512 10.110 1.00 22.07 N ATOM 1031 CA TYR A 111 -28.343 0.076 9.952 1.00 22.14 C ATOM 1032 C TYR A 111 -27.660 -0.249 8.626 1.00 18.76 C ATOM 1033 O TYR A 111 -26.802 -1.138 8.561 1.00 19.65 O ATOM 1034 CB TYR A 111 -29.691 -0.639 10.070 1.00 23.51 C ATOM 1035 CG TYR A 111 -29.688 -2.110 9.723 1.00 21.07 C ATOM 1036 CD1 TYR A 111 -29.089 -3.043 10.560 1.00 24.15 C ATOM 1037 CD2 TYR A 111 -30.308 -2.570 8.565 1.00 19.17 C ATOM 1038 CE1 TYR A 111 -29.098 -4.389 10.246 1.00 22.88 C ATOM 1039 CE2 TYR A 111 -30.327 -3.911 8.251 1.00 20.26 C ATOM 1040 CZ TYR A 111 -29.718 -4.816 9.090 1.00 24.53 C ATOM 1041 OH TYR A 111 -29.731 -6.153 8.776 1.00 24.85 O ATOM 1042 HH TYR A 111 -29.253 -6.661 9.479 1.00 0.00 H ATOM 1043 H TYR A 111 -29.526 1.872 10.222 1.00 0.00 H ATOM 1044 N LEU A 112 -28.016 0.466 7.561 1.00 19.59 N ATOM 1045 CA LEU A 112 -27.431 0.229 6.248 1.00 22.13 C ATOM 1046 C LEU A 112 -26.081 0.909 6.063 1.00 24.47 C ATOM 1047 O LEU A 112 -25.446 0.707 5.021 1.00 20.42 O ATOM 1048 CB LEU A 112 -28.392 0.685 5.147 1.00 21.12 C ATOM 1049 CG LEU A 112 -29.696 -0.103 5.011 1.00 20.45 C ATOM 1050 CD1 LEU A 112 -30.519 0.433 3.849 1.00 21.96 C ATOM 1051 CD2 LEU A 112 -29.414 -1.587 4.839 1.00 17.98 C ATOM 1052 H LEU A 112 -28.731 1.214 7.669 1.00 0.00 H ATOM 1053 N GLN A 113 -25.639 1.704 7.034 1.00 22.70 N ATOM 1054 CA GLN A 113 -24.357 2.404 6.970 1.00 21.06 C ATOM 1055 C GLN A 113 -24.280 3.308 5.739 1.00 26.48 C ATOM 1056 O GLN A 113 -23.395 3.190 4.891 1.00 24.71 O ATOM 1057 CB GLN A 113 -23.180 1.429 7.055 1.00 26.20 C ATOM 1058 CG GLN A 113 -23.280 0.465 8.223 1.00 24.49 C ATOM 1059 CD GLN A 113 -22.225 -0.622 8.181 1.00 26.20 C ATOM 1060 OE1 GLN A 113 -22.404 -1.700 8.750 1.00 30.76 O ATOM 1061 NE2 GLN A 113 -21.116 -0.343 7.509 1.00 26.93 N ATOM 1062 HE22 GLN A 113 -21.008 0.581 7.044 1.00 0.00 H ATOM 1063 HE21 GLN A 113 -20.354 -1.048 7.447 1.00 0.00 H ATOM 1064 H GLN A 113 -26.233 1.834 7.878 1.00 0.00 H ATOM 1065 N MET A 114 -25.249 4.215 5.655 1.00 26.96 N ATOM 1066 CA MET A 114 -25.308 5.251 4.629 1.00 23.53 C ATOM 1067 C MET A 114 -25.198 6.590 5.358 1.00 33.14 C ATOM 1068 O MET A 114 -26.199 7.241 5.662 1.00 29.19 O ATOM 1069 CB MET A 114 -26.625 5.120 3.834 1.00 26.80 C ATOM 1070 CG MET A 114 -26.857 3.723 3.252 1.00 28.69 C ATOM 1071 SD MET A 114 -28.520 3.433 2.600 1.00 23.03 S ATOM 1072 CE MET A 114 -28.597 4.646 1.286 1.00 26.00 C ATOM 1073 H MET A 114 -26.010 4.184 6.363 1.00 0.00 H ATOM 1074 N GLU A 115 -23.955 6.992 5.649 1.00 39.74 N ATOM 1075 CA GLU A 115 -23.723 8.130 6.538 1.00 42.40 C ATOM 1076 C GLU A 115 -24.279 9.425 5.961 1.00 45.70 C ATOM 1077 O GLU A 115 -24.839 10.248 6.695 1.00 46.80 O ATOM 1078 CB GLU A 115 -22.230 8.279 6.832 1.00 47.21 C ATOM 1079 CG GLU A 115 -21.603 7.073 7.499 1.00 50.17 C ATOM 1080 CD GLU A 115 -20.839 6.200 6.525 1.00 52.85 C ATOM 1081 OE1 GLU A 115 -20.027 6.743 5.747 1.00 52.80 O ATOM 1082 OE2 GLU A 115 -21.054 4.970 6.536 1.00 53.16 O ATOM 1083 H GLU A 115 -23.143 6.489 5.238 1.00 0.00 H ATOM 1084 N HIS A 116 -24.121 9.631 4.651 1.00 49.16 N ATOM 1085 CA HIS A 116 -24.628 10.848 4.024 1.00 47.20 C ATOM 1086 C HIS A 116 -26.130 10.991 4.237 1.00 37.95 C ATOM 1087 O HIS A 116 -26.623 12.089 4.522 1.00 37.08 O ATOM 1088 CB HIS A 116 -24.291 10.848 2.532 1.00 54.10 C ATOM 1089 CG HIS A 116 -22.821 10.819 2.243 1.00 59.24 C ATOM 1090 ND1 HIS A 116 -21.999 9.794 2.660 1.00 58.51 N ATOM 1091 CD2 HIS A 116 -22.028 11.689 1.576 1.00 60.68 C ATOM 1092 CE1 HIS A 116 -20.762 10.036 2.265 1.00 58.51 C ATOM 1093 NE2 HIS A 116 -20.752 11.179 1.604 1.00 60.84 N ATOM 1094 H HIS A 116 -23.632 8.918 4.072 1.00 0.00 H ATOM 1095 N VAL A 117 -26.871 9.889 4.114 1.00 31.44 N ATOM 1096 CA VAL A 117 -28.308 9.925 4.365 1.00 25.93 C ATOM 1097 C VAL A 117 -28.590 10.153 5.846 1.00 27.04 C ATOM 1098 O VAL A 117 -29.518 10.886 6.208 1.00 28.56 O ATOM 1099 CB VAL A 117 -28.980 8.646 3.831 1.00 24.78 C ATOM 1100 CG1 VAL A 117 -30.445 8.607 4.234 1.00 25.39 C ATOM 1101 CG2 VAL A 117 -28.834 8.563 2.316 1.00 28.09 C ATOM 1102 H VAL A 117 -26.420 8.994 3.836 1.00 0.00 H ATOM 1103 N VAL A 118 -27.797 9.532 6.723 1.00 27.66 N ATOM 1104 CA VAL A 118 -27.960 9.746 8.161 1.00 28.16 C ATOM 1105 C VAL A 118 -27.775 11.218 8.507 1.00 31.36 C ATOM 1106 O VAL A 118 -28.584 11.811 9.232 1.00 36.71 O ATOM 1107 CB VAL A 118 -27.000 8.844 8.958 1.00 29.20 C ATOM 1108 CG1 VAL A 118 -27.012 9.230 10.426 1.00 33.52 C ATOM 1109 CG2 VAL A 118 -27.389 7.387 8.796 1.00 25.18 C ATOM 1110 H VAL A 118 -27.055 8.889 6.380 1.00 0.00 H ATOM 1111 N ASP A 119 -26.709 11.831 7.987 1.00 30.17 N ATOM 1112 CA ASP A 119 -26.465 13.244 8.259 1.00 31.47 C ATOM 1113 C ASP A 119 -27.600 14.114 7.730 1.00 33.36 C ATOM 1114 O ASP A 119 -28.010 15.079 8.384 1.00 34.56 O ATOM 1115 CB ASP A 119 -25.130 13.667 7.646 1.00 35.10 C ATOM 1116 CG ASP A 119 -24.646 15.004 8.166 1.00 50.04 C ATOM 1117 OD1 ASP A 119 -25.221 15.503 9.156 1.00 56.57 O ATOM 1118 OD2 ASP A 119 -23.689 15.556 7.584 1.00 54.46 O ATOM 1119 H ASP A 119 -26.049 11.299 7.385 1.00 0.00 H ATOM 1120 N THR A 120 -28.126 13.783 6.547 1.00 33.12 N ATOM 1121 CA THR A 120 -29.235 14.550 5.986 1.00 31.16 C ATOM 1122 C THR A 120 -30.495 14.400 6.832 1.00 32.33 C ATOM 1123 O THR A 120 -31.241 15.367 7.025 1.00 34.44 O ATOM 1124 CB THR A 120 -29.477 14.137 4.532 1.00 32.36 C ATOM 1125 OG1 THR A 120 -28.360 14.543 3.732 1.00 38.65 O ATOM 1126 CG2 THR A 120 -30.738 14.786 3.979 1.00 30.07 C ATOM 1127 HG1 THR A 120 -27.538 14.106 4.069 1.00 0.00 H ATOM 1128 H THR A 120 -27.742 12.972 6.021 1.00 0.00 H ATOM 1129 N CYS A 121 -30.743 13.198 7.358 1.00 33.88 N ATOM 1130 CA CYS A 121 -31.858 13.021 8.283 1.00 32.63 C ATOM 1131 C CYS A 121 -31.690 13.893 9.520 1.00 35.35 C ATOM 1132 O CYS A 121 -32.670 14.436 10.043 1.00 37.49 O ATOM 1133 CB CYS A 121 -31.983 11.555 8.692 1.00 34.57 C ATOM 1134 SG CYS A 121 -32.542 10.465 7.385 1.00 29.99 S ATOM 1135 H CYS A 121 -30.141 12.387 7.108 1.00 0.00 H ATOM 1136 N ARG A 122 -30.453 14.036 10.004 1.00 37.96 N ATOM 1137 CA ARG A 122 -30.207 14.867 11.179 1.00 38.29 C ATOM 1138 C ARG A 122 -30.532 16.329 10.908 1.00 42.10 C ATOM 1139 O ARG A 122 -30.863 17.075 11.834 1.00 43.35 O ATOM 1140 CB ARG A 122 -28.755 14.720 11.630 1.00 38.09 C ATOM 1141 H ARG A 122 -29.659 13.551 9.540 1.00 0.00 H ATOM 1142 N LYS A 123 -30.440 16.758 9.652 1.00 39.60 N ATOM 1143 CA LYS A 123 -30.823 18.122 9.310 1.00 41.81 C ATOM 1144 C LYS A 123 -32.326 18.257 9.098 1.00 42.64 C ATOM 1145 O LYS A 123 -32.892 19.322 9.367 1.00 45.40 O ATOM 1146 CB LYS A 123 -30.057 18.586 8.071 1.00 44.28 C ATOM 1147 CG LYS A 123 -28.548 18.556 8.244 1.00 42.29 C ATOM 1148 CD LYS A 123 -27.837 19.018 6.985 1.00 42.37 C ATOM 1149 CE LYS A 123 -26.331 18.833 7.102 1.00 44.32 C ATOM 1150 NZ LYS A 123 -25.630 19.122 5.818 1.00 52.93 N ATOM 1151 HZ1 LYS A 123 -25.980 18.478 5.081 1.00 0.00 H ATOM 1152 HZ2 LYS A 123 -25.816 20.106 5.537 1.00 0.00 H ATOM 1153 HZ3 LYS A 123 -24.607 18.983 5.944 1.00 0.00 H ATOM 1154 H LYS A 123 -30.093 16.117 8.910 1.00 0.00 H ATOM 1155 N PHE A 124 -32.982 17.195 8.623 1.00 43.12 N ATOM 1156 CA PHE A 124 -34.433 17.222 8.471 1.00 44.09 C ATOM 1157 C PHE A 124 -35.120 17.353 9.823 1.00 50.36 C ATOM 1158 O PHE A 124 -36.068 18.133 9.975 1.00 47.64 O ATOM 1159 CB PHE A 124 -34.903 15.957 7.748 1.00 40.50 C ATOM 1160 CG PHE A 124 -36.355 15.981 7.353 1.00 43.66 C ATOM 1161 CD1 PHE A 124 -37.338 15.576 8.241 1.00 46.37 C ATOM 1162 CD2 PHE A 124 -36.734 16.396 6.086 1.00 42.66 C ATOM 1163 CE1 PHE A 124 -38.672 15.596 7.879 1.00 50.10 C ATOM 1164 CE2 PHE A 124 -38.066 16.417 5.718 1.00 45.46 C ATOM 1165 CZ PHE A 124 -39.036 16.016 6.615 1.00 46.91 C ATOM 1166 H PHE A 124 -32.453 16.340 8.359 1.00 0.00 H ATOM 1167 N ILE A 125 -34.658 16.595 10.820 1.00 43.71 N ATOM 1168 CA ILE A 125 -35.228 16.716 12.157 1.00 47.79 C ATOM 1169 C ILE A 125 -34.925 18.089 12.742 1.00 49.49 C ATOM 1170 O ILE A 125 -35.749 18.673 13.457 1.00 52.50 O ATOM 1171 CB ILE A 125 -34.753 15.565 13.066 1.00 45.96 C ATOM 1172 CG1 ILE A 125 -35.427 15.660 14.435 1.00 48.60 C ATOM 1173 CG2 ILE A 125 -33.245 15.579 13.221 1.00 46.56 C ATOM 1174 CD1 ILE A 125 -36.933 15.761 14.357 1.00 55.32 C ATOM 1175 H ILE A 125 -33.890 15.917 10.643 1.00 0.00 H ATOM 1176 N LYS A 126 -33.750 18.638 12.430 1.00 49.06 N ATOM 1177 CA LYS A 126 -33.402 19.963 12.928 1.00 52.19 C ATOM 1178 C LYS A 126 -34.257 21.041 12.273 1.00 54.10 C ATOM 1179 O LYS A 126 -34.741 21.956 12.950 1.00 57.55 O ATOM 1180 CB LYS A 126 -31.919 20.240 12.688 1.00 51.35 C ATOM 1181 CG LYS A 126 -31.421 21.515 13.343 1.00 54.75 C ATOM 1182 CD LYS A 126 -29.996 21.839 12.934 1.00 55.22 C ATOM 1183 CE LYS A 126 -29.399 22.897 13.848 1.00 60.94 C ATOM 1184 NZ LYS A 126 -30.366 23.993 14.136 1.00 61.06 N ATOM 1185 HZ1 LYS A 126 -30.644 24.451 13.245 1.00 0.00 H ATOM 1186 HZ2 LYS A 126 -31.208 23.598 14.601 1.00 0.00 H ATOM 1187 HZ3 LYS A 126 -29.919 24.693 14.762 1.00 0.00 H ATOM 1188 H LYS A 126 -33.079 18.118 11.829 1.00 0.00 H ATOM 1189 N ALA A 127 -34.459 20.946 10.961 1.00 52.11 N ATOM 1190 CA ALA A 127 -35.243 21.931 10.229 1.00 53.82 C ATOM 1191 C ALA A 127 -36.743 21.786 10.443 1.00 55.30 C ATOM 1192 O ALA A 127 -37.504 22.627 9.952 1.00 58.50 O ATOM 1193 CB ALA A 127 -34.922 21.860 8.734 1.00 52.49 C ATOM 1194 H ALA A 127 -34.045 20.145 10.443 1.00 0.00 H ATOM 1195 N SER A 128 -37.187 20.749 11.146 1.00 54.64 N ATOM 1196 CA SER A 128 -38.604 20.588 11.449 1.00 61.34 C ATOM 1197 C SER A 128 -38.983 21.430 12.660 1.00 63.79 C ATOM 1198 O SER A 128 -38.114 21.948 13.362 1.00 70.05 O ATOM 1199 CB SER A 128 -38.939 19.118 11.706 1.00 58.98 C ATOM 1200 OG SER A 128 -38.724 18.336 10.546 1.00 60.77 O ATOM 1201 HG SER A 128 -37.774 18.402 10.276 1.00 0.00 H ATOM 1202 H SER A 128 -36.509 20.038 11.487 1.00 0.00 H TER 1203 SER A 128 HETATM 1204 O HOH 1 -22.387 -17.464 2.195 1.00 39.87 O HETATM 1205 O HOH 2 -19.732 1.398 7.726 1.00 39.25 O HETATM 1206 O HOH 3 -37.550 0.113 -10.089 1.00 27.78 O HETATM 1207 O HOH 4 -39.087 -1.223 12.570 1.00 41.63 O HETATM 1208 O HOH 5 -18.303 7.282 2.783 1.00 43.91 O HETATM 1209 O HOH 6 -21.492 4.040 8.610 1.00 43.26 O HETATM 1210 O HOH 7 -21.388 -13.621 -7.184 1.00 46.60 O HETATM 1211 O HOH 8 -17.242 -17.340 -2.721 1.00 34.68 O HETATM 1212 O HOH 9 -27.580 -14.209 -7.598 1.00 33.26 O HETATM 1213 O HOH 10 -26.338 -8.503 -12.295 1.00 37.58 O HETATM 1214 O HOH 11 -28.946 -15.124 3.485 1.00 41.12 O HETATM 1215 O HOH 12 -35.864 -8.375 17.252 1.00 44.24 O HETATM 1216 O HOH 13 -38.212 20.362 15.400 1.00 51.63 O HETATM 1217 O HOH 14 -35.984 -15.780 4.057 1.00 40.84 O HETATM 1218 O HOH 15 -24.212 -11.308 -9.749 1.00 25.06 O HETATM 1219 O HOH 16 -38.830 0.443 -4.677 1.00 70.81 O HETATM 1220 O HOH 17 -31.726 -12.776 -12.342 1.00 46.06 O HETATM 1221 O HOH 18 -20.673 -10.228 6.454 1.00 44.70 O HETATM 1222 O HOH 19 -24.896 -6.974 -9.349 1.00 22.16 O HETATM 1223 O HOH 20 -11.161 18.747 -22.459 1.00 35.77 O HETATM 1224 O HOH 21 -45.420 -5.308 4.607 1.00 34.19 O HETATM 1225 O HOH 22 -36.796 -3.411 -6.154 1.00 26.95 O HETATM 1226 O HOH 23 -38.925 -13.053 6.563 1.00 35.07 O HETATM 1227 O HOH 24 -44.166 1.718 8.992 1.00 55.13 O HETATM 1228 O HOH 25 -38.696 -2.401 14.921 1.00 45.89 O HETATM 1229 O HOH 26 -25.001 -1.999 10.371 1.00 26.61 O HETATM 1230 O HOH 27 -26.572 14.589 -13.795 1.00 50.41 O HETATM 1231 O HOH 28 -32.783 7.212 -11.464 1.00 20.70 O HETATM 1232 O HOH 29 -33.398 11.735 -10.058 1.00 41.04 O HETATM 1233 O HOH 30 -30.357 5.596 -22.305 1.00 47.03 O HETATM 1234 O HOH 31 -29.245 -13.127 5.462 1.00 32.88 O HETATM 1235 O HOH 32 -24.000 9.488 -21.652 1.00 30.62 O HETATM 1236 O HOH 33 -12.455 -9.340 -3.335 1.00 45.46 O HETATM 1237 O HOH 34 -43.459 7.591 3.276 1.00 36.20 O HETATM 1238 O HOH 35 -42.138 3.958 7.459 1.00 69.09 O HETATM 1239 O HOH 36 -36.626 7.845 -1.428 1.00 21.30 O HETATM 1240 O HOH 37 -31.567 -13.590 -8.237 1.00 51.03 O HETATM 1241 O HOH 38 -15.196 1.316 4.834 1.00 35.90 O HETATM 1242 O HOH 39 -21.983 12.636 -15.092 1.00 23.82 O HETATM 1243 O HOH 40 -39.556 -4.860 18.638 1.00 29.08 O HETATM 1244 O HOH 41 -43.529 -0.700 6.510 1.00 37.74 O HETATM 1245 O HOH 42 -36.042 -10.279 7.683 1.00 34.53 O HETATM 1246 O HOH 43 -38.798 -11.734 -4.762 1.00 42.01 O HETATM 1247 O HOH 44 -30.637 11.826 -15.786 1.00 42.36 O HETATM 1248 O HOH 45 -36.953 8.192 -5.157 1.00 28.14 O HETATM 1249 O HOH 46 -30.527 1.312 13.437 1.00 32.41 O HETATM 1250 O HOH 47 -36.148 0.337 10.487 1.00 27.80 O HETATM 1251 O HOH 48 -12.303 16.539 -16.875 1.00 46.18 O HETATM 1252 O HOH 49 -31.051 9.236 -12.226 1.00 20.99 O HETATM 1253 O HOH 50 -31.038 7.057 -19.058 1.00 28.78 O HETATM 1254 O HOH 51 -24.907 13.028 -13.851 1.00 25.25 O HETATM 1255 O HOH 52 -33.216 -11.402 -13.331 1.00 47.44 O HETATM 1256 O HOH 53 -32.186 -11.302 -15.676 1.00 24.86 O HETATM 1257 O HOH 54 -43.484 -7.002 6.612 1.00 41.17 O HETATM 1258 O HOH 55 -38.045 -8.705 -18.020 1.00 45.95 O HETATM 1259 O HOH 56 -40.632 16.866 3.671 1.00 50.61 O HETATM 1260 O HOH 57 -33.882 -8.500 15.807 1.00 32.95 O HETATM 1261 O HOH 58 -41.770 -2.329 -15.147 1.00 32.89 O HETATM 1262 O HOH 59 -25.933 5.821 -0.872 1.00 30.51 O HETATM 1263 O HOH 60 -18.213 -0.412 7.713 1.00 41.95 O HETATM 1264 O HOH 61 -20.321 -16.716 -1.575 1.00 22.00 O HETATM 1265 O HOH 62 -19.518 13.092 -0.240 1.00 44.91 O HETATM 1266 O HOH 63 -37.240 -13.518 -6.173 1.00 40.29 O HETATM 1267 O HOH 64 -20.739 -4.113 8.575 1.00 31.22 O HETATM 1268 O HOH 65 -27.091 -10.847 -12.402 1.00 34.91 O HETATM 1269 O HOH 66 -32.403 -14.046 -5.947 1.00 30.49 O HETATM 1270 O HOH 67 -38.711 -6.066 -5.983 1.00 31.32 O HETATM 1271 O HOH 68 -29.696 10.629 -10.370 1.00 23.62 O HETATM 1272 O HOH 69 -43.067 -8.079 -0.886 1.00 32.18 O HETATM 1273 O HOH 70 -47.649 -12.154 9.928 1.00 37.88 O HETATM 1274 O HOH 71 -16.318 -7.819 5.023 1.00 49.66 O HETATM 1275 O HOH 72 -17.120 -15.472 -5.661 1.00 42.60 O HETATM 1276 O HOH 73 -8.350 14.793 -22.556 1.00 47.73 O HETATM 1277 O HOH 74 -41.369 2.208 -4.793 1.00 44.75 O HETATM 1278 O HOH 75 -35.650 6.561 -11.957 1.00 30.83 O HETATM 1279 O HOH 76 -41.565 9.385 11.501 1.00 32.94 O HETATM 1280 O HOH 77 -38.083 15.761 1.636 1.00 42.34 O HETATM 1281 O HOH 78 -14.995 -13.494 3.305 1.00 64.43 O HETATM 1282 O HOH 79 -7.179 16.716 -22.922 1.00 46.64 O HETATM 1283 O HOH 80 -30.609 -10.903 10.065 1.00 48.25 O HETATM 1284 O HOH 81 -41.268 6.731 11.084 1.00 34.53 O HETATM 1285 O HOH 82 -37.875 3.948 -7.980 1.00 28.86 O HETATM 1286 O HOH 83 -39.266 6.850 -2.533 1.00 31.98 O HETATM 1287 O HOH 84 -39.411 -7.271 19.346 1.00 46.07 O HETATM 1288 O HOH 85 -43.163 5.368 0.745 1.00 49.31 O HETATM 1289 O HOH 86 -42.208 -4.685 -15.503 1.00 45.82 O HETATM 1290 O HOH 87 -35.587 -0.110 12.852 1.00 40.75 O HETATM 1291 O HOH 88 -23.391 10.445 9.631 1.00 47.03 O HETATM 1292 O HOH 89 -42.048 -16.085 -1.592 1.00 52.22 O HETATM 1293 O HOH 90 -40.864 -13.039 3.443 1.00 52.55 O HETATM 1294 O HOH 91 -42.408 13.456 -2.108 1.00 42.11 O HETATM 1295 O HOH 92 -21.591 -8.273 6.897 1.00 47.27 O HETATM 1296 O HOH 93 -40.936 -7.154 15.344 1.00 49.83 O HETATM 1297 O HOH 94 -22.567 17.589 -20.986 1.00 42.35 O HETATM 1298 O HOH 95 -18.382 -13.501 -7.434 1.00 33.46 O HETATM 1299 O HOH 96 -38.791 2.433 -9.403 1.00 40.75 O HETATM 1300 O HOH 97 -25.441 7.869 1.698 1.00 23.19 O HETATM 1301 O HOH 98 -42.806 0.143 -4.105 1.00 48.35 O HETATM 1302 O HOH 99 -32.930 10.704 -19.787 1.00 57.43 O HETATM 1303 O HOH 100 -39.480 -7.861 -10.100 1.00 51.67 O HETATM 1304 O HOH 101 -46.293 12.099 11.743 1.00 45.53 O HETATM 1305 O HOH 102 -39.247 -16.259 2.173 1.00 44.97 O HETATM 1306 O HOH 103 -34.673 -1.402 -19.295 1.00 35.50 O HETATM 1307 O HOH 104 -46.199 6.031 0.334 1.00 47.57 O HETATM 1308 O HOH 105 -37.992 -14.075 -10.589 1.00 49.68 O HETATM 1309 O HOH 106 -41.428 23.717 12.960 1.00 62.99 O HETATM 1310 O HOH 107 -40.589 -7.454 -13.261 1.00 38.25 O HETATM 1311 O HOH 108 -9.680 15.167 -11.805 1.00 41.90 O HETATM 1312 O HOH 109 -45.263 10.720 13.212 1.00 54.90 O HETATM 1313 O HOH 110 -28.752 17.119 0.901 1.00 35.51 O HETATM 1314 O HOH 111 -37.525 4.396 -13.905 1.00 43.21 O HETATM 1315 O HOH 112 -28.465 -13.748 -11.593 1.00 39.07 O HETATM 1316 O HOH 113 -29.121 -14.770 -9.354 1.00 42.57 O HETATM 1317 O HOH 114 -21.312 13.663 -13.186 1.00 36.90 O HETATM 1318 O HOH 115 -44.126 -3.355 9.063 1.00 43.83 O HETATM 1319 O HOH 116 -38.666 -10.575 15.408 1.00 49.65 O HETATM 1320 O HOH 117 -30.573 10.796 -22.870 1.00 40.69 O HETATM 1321 O HOH 118 -47.059 14.121 3.956 1.00 50.31 O HETATM 1322 O HOH 119 -43.195 -13.768 6.519 1.00 45.78 O HETATM 1323 O HOH 120 -32.412 11.290 -13.412 1.00 54.65 O HETATM 1324 O HOH 121 -39.642 3.125 13.344 1.00 50.02 O HETATM 1325 O HOH 122 -15.413 2.446 9.094 1.00 51.82 O HETATM 1326 O HOH 123 -38.877 6.703 -7.309 1.00 43.81 O HETATM 1327 O HOH 124 -28.725 13.579 -10.187 1.00 48.27 O HETATM 1328 O HOH 125 -4.123 12.524 -17.958 1.00 46.10 O HETATM 1329 O HOH 126 -23.398 -16.963 4.907 1.00 46.21 O HETATM 1330 O HOH 127 -28.597 26.167 10.834 1.00 48.86 O HETATM 1331 O HOH 128 -26.048 13.537 12.931 1.00 47.12 O HETATM 1332 O HOH 129 -24.243 17.996 1.820 1.00 53.98 O HETATM 1333 O HOH 130 -26.665 -10.634 7.979 1.00 50.44 O HETATM 1334 O HOH 131 -22.111 -4.989 11.696 1.00 47.53 O HETATM 1335 O HOH 132 -39.159 -11.443 -15.455 1.00 56.11 O HETATM 1336 O HOH 133 -25.277 5.861 11.981 1.00 46.75 O HETATM 1337 O HOH 134 -28.652 22.071 4.337 1.00 47.02 O HETATM 1338 O HOH 135 -15.942 -1.089 7.634 1.00 45.62 O HETATM 1339 O HOH 136 -32.235 -11.125 14.464 1.00 42.95 O HETATM 1340 O HOH 137 -36.868 -16.056 -4.134 1.00 44.25 O HETATM 1341 O HOH 138 -47.904 9.197 10.698 1.00 55.11 O HETATM 1342 O HOH 139 -25.044 -4.774 11.168 1.00 29.88 O HETATM 1343 O HOH 140 -42.780 -5.161 9.328 1.00 38.81 O HETATM 1344 O HOH 141 -34.930 18.093 -14.039 1.00 58.52 O HETATM 1345 O HOH 142 -37.176 1.630 14.599 1.00 48.61 O HETATM 1346 O HOH 143 -40.916 18.631 5.097 1.00 44.21 O HETATM 1347 O HOH 144 -25.210 -7.167 10.407 1.00 39.50 O HETATM 1348 O HOH 145 -41.368 25.436 11.184 1.00 45.39 O HETATM 1349 O HOH 146 -33.727 -18.566 1.729 1.00 57.57 O HETATM 1350 O HOH 147 -25.340 20.054 11.716 1.00 69.90 O HETATM 1351 O HOH 148 -46.103 -3.600 10.169 1.00 52.17 O HETATM 1352 O HOH 149 -48.447 13.690 5.678 1.00 50.03 O HETATM 1353 O HOH 150 -43.248 5.578 14.423 1.00 47.95 O HETATM 1354 O HOH 151 -37.264 -13.774 12.211 1.00 49.75 O HETATM 1355 O HOH 152 -43.187 25.520 13.209 1.00 43.19 O HETATM 1356 O HOH 153 -44.419 -6.489 13.271 1.00 46.63 O HETATM 1357 O HOH 154 -48.659 14.203 13.237 1.00 41.56 O HETATM 1358 O HOH 155 -46.881 -6.387 14.403 1.00 49.32 O HETATM 1359 O HOH 156 -47.304 21.642 12.092 1.00 48.40 O HETATM 1360 N EGP A 157 -20.701 3.701 2.150 1.00 -0.26 N HETATM 1361 CA EGP A 157 -21.712 4.502 1.454 1.00 0.14 C HETATM 1362 C EGP A 157 -21.010 5.808 1.072 1.00 0.21 C HETATM 1363 O EGP A 157 -20.009 6.184 1.680 1.00 -0.39 O HETATM 1364 NBN EGP A 157 -21.522 6.480 0.039 1.00 -0.27 N HETATM 1365 CAQ EGP A 157 -20.864 7.737 -0.360 1.00 0.06 C HETATM 1366 CAN EGP A 157 -20.896 7.892 -1.857 1.00 0.07 C HETATM 1367 OBB EGP A 157 -22.241 7.716 -2.335 1.00 -0.38 O HETATM 1368 CAO EGP A 157 -22.639 6.345 -2.168 1.00 0.07 C HETATM 1369 CAR EGP A 157 -22.720 6.002 -0.687 1.00 0.06 C HETATM 1370 H25 EGP A 157 -22.796 4.910 -0.575 1.00 0.05 H HETATM 1371 H26 EGP A 157 -23.614 6.478 -0.257 1.00 0.05 H HETATM 1372 H19 EGP A 157 -23.625 6.193 -2.631 1.00 0.06 H HETATM 1373 H20 EGP A 157 -21.901 5.690 -2.654 1.00 0.06 H HETATM 1374 H17 EGP A 157 -20.243 7.136 -2.317 1.00 0.06 H HETATM 1375 H18 EGP A 157 -20.541 8.897 -2.128 1.00 0.06 H HETATM 1376 H23 EGP A 157 -21.390 8.585 0.104 1.00 0.05 H HETATM 1377 H24 EGP A 157 -19.818 7.723 -0.019 1.00 0.05 H HETATM 1378 H1 EGP A 157 -22.565 4.705 2.118 1.00 0.08 H HETATM 1379 H2 EGP A 157 -22.064 3.978 0.553 1.00 0.08 H HETATM 1380 CAL EGP A 157 -20.388 3.845 3.435 1.00 0.02 C HETATM 1381 CBG EGP A 157 -19.427 2.970 3.683 1.00 -0.01 C HETATM 1382 CAX EGP A 157 -18.761 2.781 5.045 1.00 -0.02 C HETATM 1383 NBM EGP A 157 -18.039 4.000 5.449 1.00 0.25 N HETATM 1384 CAU EGP A 157 -17.321 3.759 6.712 1.00 0.01 C HETATM 1385 CAS EGP A 157 -16.511 4.984 7.114 1.00 0.01 C HETATM 1386 NBL EGP A 157 -15.552 5.338 6.055 1.00 0.24 N HETATM 1387 CAA EGP A 157 -14.793 6.536 6.440 1.00 -0.04 C HETATM 1388 H3 EGP A 157 -14.246 6.339 7.373 1.00 0.08 H HETATM 1389 H4 EGP A 157 -15.486 7.376 6.592 1.00 0.08 H HETATM 1390 H5 EGP A 157 -14.079 6.790 5.643 1.00 0.08 H HETATM 1391 CAT EGP A 157 -16.285 5.597 4.808 1.00 0.01 C HETATM 1392 CAV EGP A 157 -17.074 4.368 4.402 1.00 0.01 C HETATM 1393 H33 EGP A 157 -16.380 3.530 4.240 1.00 0.09 H HETATM 1394 H34 EGP A 157 -17.617 4.579 3.469 1.00 0.09 H HETATM 1395 H29 EGP A 157 -16.976 6.439 4.961 1.00 0.09 H HETATM 1396 H30 EGP A 157 -15.570 5.850 4.011 1.00 0.09 H HETATM 1397 H40 EGP A 157 -14.913 4.571 5.915 1.00 0.20 H HETATM 1398 H27 EGP A 157 -15.962 4.766 8.042 1.00 0.09 H HETATM 1399 H28 EGP A 157 -17.194 5.830 7.282 1.00 0.09 H HETATM 1400 H31 EGP A 157 -18.050 3.533 7.504 1.00 0.09 H HETATM 1401 H32 EGP A 157 -16.642 2.903 6.583 1.00 0.09 H HETATM 1402 H41 EGP A 157 -18.698 4.752 5.577 1.00 0.20 H HETATM 1403 H35 EGP A 157 -18.050 1.944 4.986 1.00 0.09 H HETATM 1404 H36 EGP A 157 -19.533 2.554 5.795 1.00 0.09 H HETATM 1405 CBJ EGP A 157 -19.134 2.289 2.583 1.00 -0.03 C HETATM 1406 CAI EGP A 157 -18.251 1.322 2.352 1.00 -0.08 C HETATM 1407 CAF EGP A 157 -18.151 0.775 1.081 1.00 -0.05 C HETATM 1408 CBE EGP A 157 -18.968 1.259 0.066 1.00 0.06 C HETATM 1409 CAK EGP A 157 -19.877 2.263 0.377 1.00 -0.02 C HETATM 1410 CBK EGP A 157 -19.931 2.753 1.616 1.00 0.05 C HETATM 1411 H13 EGP A 157 -20.542 2.648 -0.388 1.00 0.04 H HETATM 1412 NAZ EGP A 157 -18.925 0.752 -1.174 1.00 -0.24 N HETATM 1413 CBC EGP A 157 -17.789 0.776 -1.902 1.00 0.16 C HETATM 1414 NAY EGP A 157 -16.667 1.342 -1.420 1.00 -0.28 N HETATM 1415 CAM EGP A 157 -15.404 1.387 -2.172 1.00 0.04 C HETATM 1416 CAP EGP A 157 -14.341 2.151 -1.367 1.00 -0.01 C HETATM 1417 CBF EGP A 157 -14.217 1.579 0.052 1.00 -0.04 C HETATM 1418 CAJ EGP A 157 -14.886 2.022 1.109 1.00 0.02 C HETATM 1419 NBA EGP A 157 -14.503 1.277 2.143 1.00 -0.29 N HETATM 1420 CBH EGP A 157 -13.604 0.387 1.717 1.00 0.06 C HETATM 1421 CAG EGP A 157 -12.938 -0.565 2.370 1.00 -0.04 C HETATM 1422 CAD EGP A 157 -12.036 -1.382 1.700 1.00 -0.08 C HETATM 1423 CAE EGP A 157 -11.845 -1.185 0.341 1.00 -0.08 C HETATM 1424 CAH EGP A 157 -12.570 -0.179 -0.288 1.00 -0.07 C HETATM 1425 CBI EGP A 157 -13.421 0.576 0.407 1.00 -0.02 C HETATM 1426 H10 EGP A 157 -12.442 -0.007 -1.351 1.00 0.05 H HETATM 1427 H7 EGP A 157 -11.148 -1.800 -0.217 1.00 0.05 H HETATM 1428 H6 EGP A 157 -11.493 -2.157 2.229 1.00 0.05 H HETATM 1429 H9 EGP A 157 -13.101 -0.703 3.433 1.00 0.05 H HETATM 1430 H39 EGP A 157 -14.843 1.371 3.111 1.00 0.22 H HETATM 1431 H12 EGP A 157 -15.608 2.837 1.127 1.00 0.08 H HETATM 1432 H21 EGP A 157 -14.629 3.211 -1.305 1.00 0.04 H HETATM 1433 H22 EGP A 157 -13.370 2.064 -1.877 1.00 0.04 H HETATM 1434 H15 EGP A 157 -15.053 0.361 -2.357 1.00 0.06 H HETATM 1435 H16 EGP A 157 -15.570 1.897 -3.133 1.00 0.06 H HETATM 1436 H37 EGP A 157 -16.693 1.751 -0.508 1.00 0.20 H HETATM 1437 SAC EGP A 157 -17.801 0.086 -3.460 1.00 -0.30 S HETATM 1438 H38 EGP A 157 -19.751 0.348 -1.567 1.00 0.23 H HETATM 1439 H8 EGP A 157 -17.443 -0.021 0.882 1.00 0.04 H HETATM 1440 H11 EGP A 157 -17.613 0.963 3.152 1.00 0.05 H HETATM 1441 H14 EGP A 157 -20.834 4.543 4.142 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1360 1361 1380 1410 CONECT 1361 1360 1362 1378 1379 CONECT 1362 1361 1363 1364 CONECT 1363 1362 CONECT 1364 1362 1365 1369 CONECT 1365 1364 1366 1376 1377 CONECT 1366 1365 1367 1374 1375 CONECT 1367 1366 1368 CONECT 1368 1367 1369 1372 1373 CONECT 1369 1364 1368 1370 1371 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1368 CONECT 1373 1368 CONECT 1374 1366 CONECT 1375 1366 CONECT 1376 1365 CONECT 1377 1365 CONECT 1378 1361 CONECT 1379 1361 CONECT 1380 1360 1381 1441 CONECT 1381 1380 1382 1405 CONECT 1382 1381 1383 1403 1404 CONECT 1383 1382 1384 1392 1402 CONECT 1384 1383 1385 1400 1401 CONECT 1385 1384 1386 1398 1399 CONECT 1386 1385 1387 1391 1397 CONECT 1387 1386 1388 1389 1390 CONECT 1388 1387 CONECT 1389 1387 CONECT 1390 1387 CONECT 1391 1386 1392 1395 1396 CONECT 1392 1383 1391 1393 1394 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1391 CONECT 1396 1391 CONECT 1397 1386 CONECT 1398 1385 CONECT 1399 1385 CONECT 1400 1384 CONECT 1401 1384 CONECT 1402 1383 CONECT 1403 1382 CONECT 1404 1382 CONECT 1405 1381 1406 1410 CONECT 1406 1405 1407 1440 CONECT 1407 1406 1408 1439 CONECT 1408 1407 1409 1412 CONECT 1409 1408 1410 1411 CONECT 1410 1360 1405 1409 CONECT 1411 1409 CONECT 1412 1408 1413 1438 CONECT 1413 1412 1414 1437 CONECT 1414 1413 1415 1436 CONECT 1415 1414 1416 1434 1435 CONECT 1416 1415 1417 1432 1433 CONECT 1417 1416 1418 1425 CONECT 1418 1417 1419 1431 CONECT 1419 1418 1420 1430 CONECT 1420 1419 1421 1425 CONECT 1421 1420 1422 1429 CONECT 1422 1421 1423 1428 CONECT 1423 1422 1424 1427 CONECT 1424 1423 1425 1426 CONECT 1425 1417 1420 1424 CONECT 1426 1424 CONECT 1427 1423 CONECT 1428 1422 CONECT 1429 1421 CONECT 1430 1419 CONECT 1431 1418 CONECT 1432 1416 CONECT 1433 1416 CONECT 1434 1415 CONECT 1435 1415 CONECT 1436 1414 CONECT 1437 1413 CONECT 1438 1412 CONECT 1439 1407 CONECT 1440 1406 CONECT 1441 1380 MASTER 0 0 0 0 0 0 0 0 1440 1 86 10 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6c3l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
EGP
EC.Number
E.C.-.-.-.-
Resolution
1.46(Å)
Affinity (Kd/Ki/IC50)
Kd=36uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J.Med.Chem. Vol. 61: pp. 7573-7588
Ligand Properties
Formula
C
3
1
H
4
1
N
7
O
2
S
Molecular Weight
575.768
Exact Mass
575.304
No. of atoms
82
No. of bonds
87
Polar Surface Area
115.29
LOGP Value
2.59 (
Computed with XLOGP3
)
3.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
Canonical SMILES
C[N@@H+]1CC[N@H+](CC1)Cc1cn(c2c1ccc(c2)NC(=S)NCCc1c[nH]c2c1cccc2)CC(=O)N1CCOCC1
InChI String
InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)/p+2
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):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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