Browse entries in the PDBbind-CN Database
HEADER 5H9Q_COMPLEX COMPND 5H9Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 MET SER ASN VAL PRO HIS LYS SER SER LEU PRO GLU GLY SEQRES 2 A 136 ILE ARG PRO GLY THR VAL LEU ARG ILE ARG GLY LEU VAL SEQRES 3 A 136 PRO PRO ASN ALA SER ARG PHE HIS VAL ASN LEU LEU CYS SEQRES 4 A 136 GLY GLU GLU GLN GLY SER ASP ALA ALA LEU HIS PHE ASN SEQRES 5 A 136 PRO ARG LEU ASP THR SER GLU VAL VAL PHE ASN SER LYS SEQRES 6 A 136 GLU GLN GLY SER TRP GLY ARG GLU GLU ARG GLY PRO GLY SEQRES 7 A 136 VAL PRO PHE GLN ARG GLY GLN PRO PHE GLU VAL LEU ILE SEQRES 8 A 136 ILE ALA SER ASP ASP GLY PHE LYS ALA VAL VAL GLY ASP SEQRES 9 A 136 ALA GLN TYR HIS HIS PHE ARG HIS ARG LEU PRO LEU ALA SEQRES 10 A 136 ARG VAL ARG LEU VAL GLU VAL GLY GLY ASP VAL GLN LEU SEQRES 11 A 136 ASP SER VAL ARG ILE PHE SEQRES 1 B 132 PRO HIS LYS SER SER LEU PRO GLU GLY ILE ARG PRO GLY SEQRES 2 B 132 THR VAL LEU ARG ILE ARG GLY LEU VAL PRO PRO ASN ALA SEQRES 3 B 132 SER ARG PHE HIS VAL ASN LEU LEU CYS GLY GLU GLU GLN SEQRES 4 B 132 GLY SER ASP ALA ALA LEU HIS PHE ASN PRO ARG LEU ASP SEQRES 5 B 132 THR SER GLU VAL VAL PHE ASN SER LYS GLU GLN GLY SER SEQRES 6 B 132 TRP GLY ARG GLU GLU ARG GLY PRO GLY VAL PRO PHE GLN SEQRES 7 B 132 ARG GLY GLN PRO PHE GLU VAL LEU ILE ILE ALA SER ASP SEQRES 8 B 132 ASP GLY PHE LYS ALA VAL VAL GLY ASP ALA GLN TYR HIS SEQRES 9 B 132 HIS PHE ARG HIS ARG LEU PRO LEU ALA ARG VAL ARG LEU SEQRES 10 B 132 VAL GLU VAL GLY GLY ASP VAL GLN LEU ASP SER VAL ARG SEQRES 11 B 132 ILE PHE HET TD A 2 75 ATOM 1 N MET A 0 6.116 -17.535 -11.847 1.00 35.19 N ATOM 2 CA MET A 0 5.610 -18.876 -12.114 1.00 35.51 C ATOM 3 C MET A 0 4.285 -19.102 -11.382 1.00 34.75 C ATOM 4 O MET A 0 3.619 -18.150 -10.971 1.00 42.81 O ATOM 5 CB MET A 0 6.646 -19.926 -11.712 1.00 35.49 C ATOM 6 CG MET A 0 8.057 -19.576 -12.149 1.00 40.26 C ATOM 7 SD MET A 0 8.696 -20.569 -13.509 1.00 72.21 S ATOM 8 CE MET A 0 8.413 -22.221 -12.878 1.00 47.40 C ATOM 9 HN3 MET A 0 6.269 -17.421 -10.825 1.00 0.00 H ATOM 10 HN2 MET A 0 5.423 -16.833 -12.175 1.00 0.00 H ATOM 11 HN1 MET A 0 7.015 -17.398 -12.351 1.00 0.00 H ATOM 12 N SER A 1 3.916 -20.367 -11.220 1.00 32.37 N ATOM 13 CA SER A 1 2.610 -20.741 -10.683 1.00 31.28 C ATOM 14 C SER A 1 2.366 -20.273 -9.250 1.00 28.97 C ATOM 15 O SER A 1 3.294 -19.857 -8.549 1.00 25.70 O ATOM 16 CB SER A 1 2.451 -22.262 -10.745 1.00 31.08 C ATOM 17 OG SER A 1 2.793 -22.752 -12.030 1.00 33.69 O ATOM 18 HG SER A 1 2.683 -23.736 -12.047 1.00 0.00 H ATOM 19 H SER A 1 4.582 -21.120 -11.486 1.00 0.00 H ATOM 20 N ASN A 2 1.106 -20.333 -8.823 1.00 29.30 N ATOM 21 CA ASN A 2 0.798 -20.247 -7.400 1.00 27.22 C ATOM 22 C ASN A 2 1.485 -21.432 -6.761 1.00 23.87 C ATOM 23 O ASN A 2 1.615 -22.475 -7.397 1.00 25.54 O ATOM 24 CB ASN A 2 -0.708 -20.305 -7.122 1.00 19.28 C ATOM 25 CG ASN A 2 -1.462 -19.151 -7.718 1.00 23.69 C ATOM 26 OD1 ASN A 2 -2.500 -19.341 -8.360 1.00 23.26 O ATOM 27 ND2 ASN A 2 -0.957 -17.940 -7.506 1.00 19.33 N ATOM 28 HD22 ASN A 2 -0.079 -17.831 -6.959 1.00 0.00 H ATOM 29 HD21 ASN A 2 -1.439 -17.101 -7.888 1.00 0.00 H ATOM 30 H ASN A 2 0.334 -20.442 -9.511 1.00 0.00 H ATOM 31 N VAL A 3 1.936 -21.295 -5.525 1.00 26.96 N ATOM 32 CA VAL A 3 2.491 -22.456 -4.870 1.00 27.77 C ATOM 33 C VAL A 3 1.673 -22.786 -3.636 1.00 26.85 C ATOM 34 O VAL A 3 1.597 -21.993 -2.690 1.00 24.69 O ATOM 35 CB VAL A 3 4.002 -22.287 -4.518 1.00 39.13 C ATOM 36 CG1 VAL A 3 4.846 -22.549 -5.753 1.00 39.44 C ATOM 37 CG2 VAL A 3 4.314 -20.920 -3.952 1.00 37.92 C ATOM 38 H VAL A 3 1.892 -20.377 -5.039 1.00 0.00 H ATOM 39 N PRO A 4 0.993 -23.939 -3.693 1.00 24.14 N ATOM 40 CA PRO A 4 0.100 -24.455 -2.657 1.00 23.19 C ATOM 41 C PRO A 4 0.789 -25.404 -1.694 1.00 24.08 C ATOM 42 O PRO A 4 2.006 -25.577 -1.747 1.00 22.30 O ATOM 43 CB PRO A 4 -0.969 -25.199 -3.463 1.00 22.62 C ATOM 44 CG PRO A 4 -0.249 -25.688 -4.664 1.00 26.68 C ATOM 45 CD PRO A 4 0.827 -24.664 -4.968 1.00 24.46 C ATOM 46 N HIS A 5 -0.003 -26.021 -0.828 1.00 19.43 N ATOM 47 CA HIS A 5 0.523 -26.913 0.180 1.00 20.29 C ATOM 48 C HIS A 5 -0.532 -27.913 0.607 1.00 18.75 C ATOM 49 O HIS A 5 -1.695 -27.559 0.796 1.00 14.29 O ATOM 50 CB HIS A 5 1.009 -26.115 1.385 1.00 17.43 C ATOM 51 CG HIS A 5 1.350 -26.955 2.574 1.00 16.74 C ATOM 52 ND1 HIS A 5 2.634 -27.370 2.844 1.00 18.93 N ATOM 53 CD2 HIS A 5 0.577 -27.436 3.577 1.00 18.12 C ATOM 54 CE1 HIS A 5 2.640 -28.077 3.961 1.00 21.14 C ATOM 55 NE2 HIS A 5 1.405 -28.131 4.426 1.00 20.09 N ATOM 56 H HIS A 5 -1.029 -25.859 -0.875 1.00 0.00 H ATOM 57 N LYS A 6 -0.116 -29.168 0.728 1.00 17.55 N ATOM 58 CA LYS A 6 -0.926 -30.193 1.359 1.00 17.87 C ATOM 59 C LYS A 6 -0.011 -31.005 2.268 1.00 18.38 C ATOM 60 O LYS A 6 1.055 -31.444 1.841 1.00 18.11 O ATOM 61 CB LYS A 6 -1.600 -31.083 0.315 1.00 23.07 C ATOM 62 CG LYS A 6 -2.956 -31.612 0.734 1.00 25.77 C ATOM 63 CD LYS A 6 -3.423 -32.750 -0.167 1.00 30.09 C ATOM 64 CE LYS A 6 -3.790 -32.258 -1.556 1.00 32.64 C ATOM 65 NZ LYS A 6 -4.997 -31.380 -1.529 1.00 39.10 N ATOM 66 HZ1 LYS A 6 -5.804 -31.913 -1.146 1.00 0.00 H ATOM 67 HZ2 LYS A 6 -4.809 -30.553 -0.927 1.00 0.00 H ATOM 68 HZ3 LYS A 6 -5.216 -31.064 -2.495 1.00 0.00 H ATOM 69 H LYS A 6 0.822 -29.425 0.358 1.00 0.00 H ATOM 70 N SER A 7 -0.399 -31.175 3.526 1.00 16.16 N ATOM 71 CA SER A 7 0.362 -32.041 4.424 1.00 18.33 C ATOM 72 C SER A 7 -0.549 -32.715 5.437 1.00 21.08 C ATOM 73 O SER A 7 -1.507 -32.114 5.926 1.00 17.14 O ATOM 74 CB SER A 7 1.450 -31.256 5.148 1.00 19.10 C ATOM 75 OG SER A 7 0.878 -30.233 5.940 1.00 18.96 O ATOM 76 HG SER A 7 0.366 -29.615 5.360 1.00 0.00 H ATOM 77 H SER A 7 -1.250 -30.689 3.875 1.00 0.00 H ATOM 78 N SER A 8 -0.236 -33.963 5.759 1.00 18.68 N ATOM 79 CA SER A 8 -1.059 -34.727 6.676 1.00 17.58 C ATOM 80 C SER A 8 -0.669 -34.451 8.115 1.00 16.80 C ATOM 81 O SER A 8 0.453 -34.049 8.404 1.00 17.81 O ATOM 82 CB SER A 8 -0.956 -36.228 6.379 1.00 24.35 C ATOM 83 OG SER A 8 -1.595 -36.542 5.152 1.00 26.71 O ATOM 84 HG SER A 8 -1.517 -37.514 4.980 1.00 0.00 H ATOM 85 H SER A 8 0.613 -34.400 5.347 1.00 0.00 H ATOM 86 N LEU A 9 -1.628 -34.657 9.005 1.00 15.64 N ATOM 87 CA LEU A 9 -1.414 -34.557 10.432 1.00 17.91 C ATOM 88 C LEU A 9 -1.786 -35.907 11.033 1.00 19.64 C ATOM 89 O LEU A 9 -2.878 -36.065 11.569 1.00 19.78 O ATOM 90 CB LEU A 9 -2.257 -33.434 11.031 1.00 16.22 C ATOM 91 CG LEU A 9 -1.892 -32.024 10.570 1.00 18.21 C ATOM 92 CD1 LEU A 9 -3.008 -31.055 10.915 1.00 18.26 C ATOM 93 CD2 LEU A 9 -0.587 -31.585 11.210 1.00 17.44 C ATOM 94 H LEU A 9 -2.579 -34.902 8.662 1.00 0.00 H ATOM 95 N PRO A 10 -0.877 -36.885 10.921 1.00 19.85 N ATOM 96 CA PRO A 10 -1.129 -38.280 11.299 1.00 22.93 C ATOM 97 C PRO A 10 -1.591 -38.418 12.747 1.00 25.54 C ATOM 98 O PRO A 10 -2.420 -39.277 13.046 1.00 24.12 O ATOM 99 CB PRO A 10 0.232 -38.954 11.092 1.00 25.48 C ATOM 100 CG PRO A 10 1.227 -37.843 11.114 1.00 26.96 C ATOM 101 CD PRO A 10 0.523 -36.667 10.520 1.00 18.25 C ATOM 102 N GLU A 11 -1.064 -37.569 13.624 1.00 22.21 N ATOM 103 CA GLU A 11 -1.458 -37.573 15.026 1.00 23.85 C ATOM 104 C GLU A 11 -2.510 -36.512 15.295 1.00 25.20 C ATOM 105 O GLU A 11 -2.829 -36.212 16.447 1.00 25.25 O ATOM 106 CB GLU A 11 -0.242 -37.342 15.924 1.00 26.10 C ATOM 107 CG GLU A 11 0.813 -38.413 15.800 1.00 25.52 C ATOM 108 CD GLU A 11 1.974 -38.206 16.753 1.00 30.96 C ATOM 109 OE1 GLU A 11 2.060 -37.123 17.383 1.00 31.90 O ATOM 110 OE2 GLU A 11 2.803 -39.132 16.870 1.00 31.38 O ATOM 111 H GLU A 11 -0.352 -36.884 13.300 1.00 0.00 H ATOM 112 N GLY A 12 -3.046 -35.942 14.223 1.00 20.17 N ATOM 113 CA GLY A 12 -4.026 -34.883 14.337 1.00 19.91 C ATOM 114 C GLY A 12 -3.390 -33.668 14.977 1.00 20.58 C ATOM 115 O GLY A 12 -2.166 -33.562 15.042 1.00 22.55 O ATOM 116 H GLY A 12 -2.755 -36.264 13.278 1.00 0.00 H ATOM 117 N ILE A 13 -4.213 -32.742 15.447 1.00 20.14 N ATOM 118 CA ILE A 13 -3.674 -31.627 16.207 1.00 22.02 C ATOM 119 C ILE A 13 -4.349 -31.507 17.561 1.00 19.02 C ATOM 120 O ILE A 13 -5.514 -31.859 17.738 1.00 18.38 O ATOM 121 CB ILE A 13 -3.798 -30.303 15.448 1.00 20.48 C ATOM 122 CG1 ILE A 13 -5.214 -30.108 14.916 1.00 21.48 C ATOM 123 CG2 ILE A 13 -2.800 -30.269 14.305 1.00 22.50 C ATOM 124 CD1 ILE A 13 -5.349 -28.873 14.036 1.00 24.11 C ATOM 125 H ILE A 13 -5.236 -32.813 15.273 1.00 0.00 H ATOM 126 N ARG A 14 -3.584 -31.021 18.523 1.00 20.15 N ATOM 127 CA ARG A 14 -4.053 -30.924 19.888 1.00 20.91 C ATOM 128 C ARG A 14 -3.972 -29.473 20.339 1.00 17.31 C ATOM 129 O ARG A 14 -3.294 -28.663 19.700 1.00 15.04 O ATOM 130 CB ARG A 14 -3.225 -31.838 20.792 1.00 25.66 C ATOM 131 CG ARG A 14 -1.737 -31.709 20.593 1.00 27.11 C ATOM 132 CD ARG A 14 -0.986 -32.501 21.649 1.00 35.00 C ATOM 133 NE ARG A 14 -0.896 -33.923 21.336 1.00 35.65 N ATOM 134 CZ ARG A 14 -0.756 -34.877 22.252 1.00 40.64 C ATOM 135 NH1 ARG A 14 -0.709 -34.560 23.541 1.00 37.69 N ATOM 136 NH2 ARG A 14 -0.677 -36.149 21.884 1.00 40.56 N ATOM 137 HE ARG A 14 -0.944 -34.208 20.337 1.00 0.00 H ATOM 138 HH12 ARG A 14 -0.600 -35.307 24.256 1.00 0.00 H ATOM 139 HH11 ARG A 14 -0.782 -33.565 23.835 1.00 0.00 H ATOM 140 HH22 ARG A 14 -0.568 -36.892 22.603 1.00 0.00 H ATOM 141 HH21 ARG A 14 -0.725 -36.403 20.877 1.00 0.00 H ATOM 142 H ARG A 14 -2.622 -30.701 18.293 1.00 0.00 H ATOM 143 N PRO A 15 -4.692 -29.132 21.417 1.00 18.68 N ATOM 144 CA PRO A 15 -4.576 -27.787 21.981 1.00 17.60 C ATOM 145 C PRO A 15 -3.111 -27.420 22.189 1.00 17.02 C ATOM 146 O PRO A 15 -2.340 -28.205 22.736 1.00 16.35 O ATOM 147 CB PRO A 15 -5.334 -27.902 23.299 1.00 19.52 C ATOM 148 CG PRO A 15 -6.373 -28.936 23.011 1.00 21.94 C ATOM 149 CD PRO A 15 -5.716 -29.934 22.112 1.00 20.91 C ATOM 150 N GLY A 16 -2.728 -26.248 21.700 1.00 16.62 N ATOM 151 CA GLY A 16 -1.340 -25.842 21.716 1.00 16.02 C ATOM 152 C GLY A 16 -0.636 -26.318 20.462 1.00 14.23 C ATOM 153 O GLY A 16 0.421 -26.922 20.536 1.00 17.48 O ATOM 154 H GLY A 16 -3.441 -25.607 21.296 1.00 0.00 H ATOM 155 N THR A 17 -1.242 -26.068 19.307 1.00 15.44 N ATOM 156 CA THR A 17 -0.603 -26.358 18.026 1.00 14.34 C ATOM 157 C THR A 17 -0.587 -25.080 17.203 1.00 13.76 C ATOM 158 O THR A 17 -1.600 -24.376 17.129 1.00 12.48 O ATOM 159 CB THR A 17 -1.330 -27.474 17.235 1.00 18.47 C ATOM 160 OG1 THR A 17 -1.335 -28.692 17.990 1.00 18.77 O ATOM 161 CG2 THR A 17 -0.637 -27.727 15.891 1.00 17.45 C ATOM 162 HG1 THR A 17 -1.804 -28.544 18.849 1.00 0.00 H ATOM 163 H THR A 17 -2.196 -25.655 19.315 1.00 0.00 H ATOM 164 N VAL A 18 0.559 -24.765 16.602 1.00 11.00 N ATOM 165 CA VAL A 18 0.659 -23.574 15.767 1.00 11.95 C ATOM 166 C VAL A 18 0.883 -23.915 14.304 1.00 12.20 C ATOM 167 O VAL A 18 1.805 -24.661 13.955 1.00 11.53 O ATOM 168 CB VAL A 18 1.792 -22.642 16.227 1.00 11.21 C ATOM 169 CG1 VAL A 18 2.021 -21.539 15.204 1.00 11.54 C ATOM 170 CG2 VAL A 18 1.466 -22.051 17.598 1.00 11.04 C ATOM 171 H VAL A 18 1.391 -25.375 16.730 1.00 0.00 H ATOM 172 N LEU A 19 0.027 -23.360 13.454 1.00 9.96 N ATOM 173 CA LEU A 19 0.229 -23.430 12.017 1.00 10.90 C ATOM 174 C LEU A 19 0.778 -22.090 11.546 1.00 10.08 C ATOM 175 O LEU A 19 0.105 -21.067 11.633 1.00 10.98 O ATOM 176 CB LEU A 19 -1.076 -23.783 11.301 1.00 9.59 C ATOM 177 CG LEU A 19 -1.118 -23.658 9.780 1.00 14.72 C ATOM 178 CD1 LEU A 19 -0.015 -24.491 9.154 1.00 13.66 C ATOM 179 CD2 LEU A 19 -2.483 -24.090 9.267 1.00 14.77 C ATOM 180 H LEU A 19 -0.808 -22.863 13.826 1.00 0.00 H ATOM 181 N ARG A 20 2.017 -22.093 11.076 1.00 8.06 N ATOM 182 CA ARG A 20 2.652 -20.862 10.630 1.00 9.73 C ATOM 183 C ARG A 20 2.689 -20.837 9.115 1.00 8.99 C ATOM 184 O ARG A 20 3.314 -21.686 8.487 1.00 8.88 O ATOM 185 CB ARG A 20 4.073 -20.727 11.195 1.00 10.09 C ATOM 186 CG ARG A 20 4.703 -19.348 10.948 1.00 12.54 C ATOM 187 CD ARG A 20 6.181 -19.314 11.337 1.00 12.65 C ATOM 188 NE ARG A 20 7.006 -20.074 10.401 1.00 13.72 N ATOM 189 CZ ARG A 20 8.280 -20.406 10.615 1.00 17.92 C ATOM 190 NH1 ARG A 20 8.878 -20.056 11.748 1.00 14.00 N ATOM 191 NH2 ARG A 20 8.956 -21.092 9.697 1.00 15.87 N ATOM 192 HE ARG A 20 6.570 -20.377 9.507 1.00 0.00 H ATOM 193 HH12 ARG A 20 9.871 -20.316 11.913 1.00 0.00 H ATOM 194 HH11 ARG A 20 8.353 -19.522 12.470 1.00 0.00 H ATOM 195 HH22 ARG A 20 9.949 -21.349 9.867 1.00 0.00 H ATOM 196 HH21 ARG A 20 8.491 -21.371 8.809 1.00 0.00 H ATOM 197 H ARG A 20 2.543 -22.988 11.025 1.00 0.00 H ATOM 198 N ILE A 21 2.013 -19.859 8.533 1.00 8.54 N ATOM 199 CA ILE A 21 1.946 -19.741 7.088 1.00 8.20 C ATOM 200 C ILE A 21 2.501 -18.405 6.629 1.00 9.58 C ATOM 201 O ILE A 21 2.014 -17.346 7.028 1.00 7.56 O ATOM 202 CB ILE A 21 0.514 -19.892 6.592 1.00 9.31 C ATOM 203 CG1 ILE A 21 -0.079 -21.181 7.154 1.00 10.12 C ATOM 204 CG2 ILE A 21 0.473 -19.874 5.064 1.00 9.30 C ATOM 205 CD1 ILE A 21 -1.528 -21.325 6.905 1.00 10.84 C ATOM 206 H ILE A 21 1.519 -19.160 9.124 1.00 0.00 H ATOM 207 N ARG A 22 3.524 -18.475 5.787 1.00 6.99 N ATOM 208 CA ARG A 22 4.187 -17.297 5.267 1.00 9.49 C ATOM 209 C ARG A 22 4.112 -17.322 3.752 1.00 8.71 C ATOM 210 O ARG A 22 4.293 -18.364 3.141 1.00 8.49 O ATOM 211 CB ARG A 22 5.647 -17.251 5.740 1.00 10.28 C ATOM 212 CG ARG A 22 5.805 -17.053 7.238 1.00 11.36 C ATOM 213 CD ARG A 22 7.247 -17.283 7.710 1.00 13.87 C ATOM 214 NE ARG A 22 7.437 -16.847 9.094 1.00 16.88 N ATOM 215 CZ ARG A 22 8.588 -16.941 9.759 1.00 20.88 C ATOM 216 NH1 ARG A 22 9.654 -17.463 9.172 1.00 19.81 N ATOM 217 NH2 ARG A 22 8.675 -16.520 11.013 1.00 18.96 N ATOM 218 HE ARG A 22 6.621 -16.437 9.591 1.00 0.00 H ATOM 219 HH12 ARG A 22 10.551 -17.535 9.693 1.00 0.00 H ATOM 220 HH11 ARG A 22 9.594 -17.801 8.190 1.00 0.00 H ATOM 221 HH22 ARG A 22 9.577 -16.596 11.526 1.00 0.00 H ATOM 222 HH21 ARG A 22 7.842 -16.113 11.484 1.00 0.00 H ATOM 223 H ARG A 22 3.863 -19.412 5.489 1.00 0.00 H ATOM 224 N GLY A 23 3.839 -16.181 3.136 1.00 8.48 N ATOM 225 CA GLY A 23 3.745 -16.164 1.694 1.00 9.38 C ATOM 226 C GLY A 23 3.514 -14.792 1.121 1.00 11.27 C ATOM 227 O GLY A 23 3.529 -13.784 1.836 1.00 9.50 O ATOM 228 H GLY A 23 3.694 -15.309 3.683 1.00 0.00 H ATOM 229 N LEU A 24 3.305 -14.772 -0.188 1.00 8.21 N ATOM 230 CA LEU A 24 3.008 -13.556 -0.922 1.00 10.19 C ATOM 231 C LEU A 24 1.622 -13.650 -1.539 1.00 9.20 C ATOM 232 O LEU A 24 1.277 -14.660 -2.162 1.00 7.88 O ATOM 233 CB LEU A 24 4.051 -13.324 -2.022 1.00 10.03 C ATOM 234 CG LEU A 24 3.785 -12.162 -2.979 1.00 11.26 C ATOM 235 CD1 LEU A 24 3.915 -10.851 -2.235 1.00 12.07 C ATOM 236 CD2 LEU A 24 4.739 -12.213 -4.171 1.00 12.60 C ATOM 237 H LEU A 24 3.356 -15.669 -0.713 1.00 0.00 H ATOM 238 N VAL A 25 0.831 -12.601 -1.360 1.00 9.11 N ATOM 239 CA VAL A 25 -0.381 -12.423 -2.148 1.00 9.29 C ATOM 240 C VAL A 25 0.025 -11.775 -3.470 1.00 9.53 C ATOM 241 O VAL A 25 0.479 -10.629 -3.480 1.00 11.05 O ATOM 242 CB VAL A 25 -1.422 -11.541 -1.416 1.00 12.02 C ATOM 243 CG1 VAL A 25 -2.602 -11.249 -2.320 1.00 11.46 C ATOM 244 CG2 VAL A 25 -1.887 -12.205 -0.122 1.00 11.37 C ATOM 245 H VAL A 25 1.081 -11.891 -0.642 1.00 0.00 H ATOM 246 N PRO A 26 -0.103 -12.511 -4.587 1.00 7.86 N ATOM 247 CA PRO A 26 0.361 -11.997 -5.883 1.00 9.30 C ATOM 248 C PRO A 26 -0.501 -10.824 -6.392 1.00 13.79 C ATOM 249 O PRO A 26 -1.619 -10.637 -5.907 1.00 10.55 O ATOM 250 CB PRO A 26 0.259 -13.223 -6.804 1.00 12.93 C ATOM 251 CG PRO A 26 -0.743 -14.121 -6.152 1.00 10.45 C ATOM 252 CD PRO A 26 -0.563 -13.908 -4.676 1.00 9.45 C ATOM 253 N PRO A 27 0.033 -10.026 -7.335 1.00 10.77 N ATOM 254 CA PRO A 27 -0.581 -8.772 -7.790 1.00 14.09 C ATOM 255 C PRO A 27 -2.067 -8.839 -8.158 1.00 16.44 C ATOM 256 O PRO A 27 -2.802 -7.904 -7.848 1.00 20.23 O ATOM 257 CB PRO A 27 0.244 -8.421 -9.029 1.00 19.26 C ATOM 258 CG PRO A 27 1.571 -9.002 -8.764 1.00 14.26 C ATOM 259 CD PRO A 27 1.332 -10.264 -7.998 1.00 11.86 C ATOM 260 N ASN A 28 -2.516 -9.900 -8.814 1.00 16.89 N ATOM 261 CA ASN A 28 -3.911 -9.904 -9.250 1.00 20.27 C ATOM 262 C ASN A 28 -4.748 -10.946 -8.527 1.00 16.35 C ATOM 263 O ASN A 28 -5.730 -11.453 -9.070 1.00 14.72 O ATOM 264 CB ASN A 28 -3.992 -10.113 -10.761 1.00 17.93 C ATOM 265 CG ASN A 28 -3.384 -8.960 -11.537 1.00 24.64 C ATOM 266 OD1 ASN A 28 -3.927 -7.854 -11.553 1.00 26.00 O ATOM 267 ND2 ASN A 28 -2.253 -9.212 -12.187 1.00 25.73 N ATOM 268 HD22 ASN A 28 -1.830 -10.161 -12.146 1.00 0.00 H ATOM 269 HD21 ASN A 28 -1.791 -8.460 -12.737 1.00 0.00 H ATOM 270 H ASN A 28 -1.892 -10.708 -9.013 1.00 0.00 H ATOM 271 N ALA A 29 -4.355 -11.250 -7.291 1.00 11.87 N ATOM 272 CA ALA A 29 -5.001 -12.305 -6.522 1.00 13.30 C ATOM 273 C ALA A 29 -6.484 -12.028 -6.304 1.00 11.37 C ATOM 274 O ALA A 29 -6.878 -10.895 -6.034 1.00 11.08 O ATOM 275 CB ALA A 29 -4.301 -12.481 -5.182 1.00 11.77 C ATOM 276 H ALA A 29 -3.568 -10.721 -6.865 1.00 0.00 H ATOM 277 N SER A 30 -7.300 -13.069 -6.427 1.00 11.79 N ATOM 278 CA SER A 30 -8.716 -12.964 -6.082 1.00 13.00 C ATOM 279 C SER A 30 -8.934 -13.372 -4.632 1.00 10.39 C ATOM 280 O SER A 30 -9.470 -12.607 -3.831 1.00 12.07 O ATOM 281 CB SER A 30 -9.569 -13.835 -7.005 1.00 16.34 C ATOM 282 OG SER A 30 -9.526 -13.346 -8.331 1.00 26.30 O ATOM 283 HG SER A 30 -10.083 -13.922 -8.912 1.00 0.00 H ATOM 284 H SER A 30 -6.925 -13.974 -6.775 1.00 0.00 H ATOM 285 N ARG A 31 -8.499 -14.583 -4.302 1.00 10.37 N ATOM 286 CA ARG A 31 -8.676 -15.131 -2.964 1.00 8.53 C ATOM 287 C ARG A 31 -7.808 -16.367 -2.786 1.00 9.30 C ATOM 288 O ARG A 31 -7.403 -17.007 -3.759 1.00 9.71 O ATOM 289 CB ARG A 31 -10.150 -15.485 -2.707 1.00 8.59 C ATOM 290 CG ARG A 31 -10.774 -16.369 -3.786 1.00 12.31 C ATOM 291 CD ARG A 31 -12.299 -16.482 -3.630 1.00 13.59 C ATOM 292 NE ARG A 31 -12.966 -15.182 -3.707 1.00 12.21 N ATOM 293 CZ ARG A 31 -14.227 -14.961 -3.344 1.00 13.58 C ATOM 294 NH1 ARG A 31 -14.967 -15.953 -2.868 1.00 11.18 N ATOM 295 NH2 ARG A 31 -14.747 -13.743 -3.446 1.00 10.24 N ATOM 296 HE ARG A 31 -12.418 -14.376 -4.070 1.00 0.00 H ATOM 297 HH12 ARG A 31 -15.952 -15.777 -2.585 1.00 0.00 H ATOM 298 HH11 ARG A 31 -14.562 -16.907 -2.778 1.00 0.00 H ATOM 299 HH22 ARG A 31 -15.733 -13.573 -3.162 1.00 0.00 H ATOM 300 HH21 ARG A 31 -14.168 -12.959 -3.810 1.00 0.00 H ATOM 301 H ARG A 31 -8.017 -15.158 -5.022 1.00 0.00 H ATOM 302 N PHE A 32 -7.522 -16.701 -1.537 1.00 6.11 N ATOM 303 CA PHE A 32 -6.835 -17.945 -1.251 1.00 8.90 C ATOM 304 C PHE A 32 -7.400 -18.515 0.037 1.00 9.56 C ATOM 305 O PHE A 32 -8.196 -17.862 0.720 1.00 7.49 O ATOM 306 CB PHE A 32 -5.313 -17.737 -1.188 1.00 8.09 C ATOM 307 CG PHE A 32 -4.824 -16.990 0.024 1.00 8.97 C ATOM 308 CD1 PHE A 32 -4.786 -15.602 0.037 1.00 10.34 C ATOM 309 CD2 PHE A 32 -4.341 -17.677 1.128 1.00 9.63 C ATOM 310 CE1 PHE A 32 -4.304 -14.912 1.146 1.00 10.45 C ATOM 311 CE2 PHE A 32 -3.860 -17.003 2.239 1.00 9.02 C ATOM 312 CZ PHE A 32 -3.840 -15.615 2.252 1.00 8.96 C ATOM 313 H PHE A 32 -7.792 -16.068 -0.757 1.00 0.00 H ATOM 314 N HIS A 33 -7.017 -19.740 0.364 1.00 8.26 N ATOM 315 CA HIS A 33 -7.606 -20.394 1.521 1.00 8.46 C ATOM 316 C HIS A 33 -6.610 -21.237 2.292 1.00 9.90 C ATOM 317 O HIS A 33 -5.650 -21.756 1.727 1.00 8.98 O ATOM 318 CB HIS A 33 -8.779 -21.279 1.089 1.00 11.33 C ATOM 319 CG HIS A 33 -8.427 -22.252 0.008 1.00 12.50 C ATOM 320 ND1 HIS A 33 -8.618 -21.980 -1.329 1.00 13.15 N ATOM 321 CD2 HIS A 33 -7.876 -23.488 0.065 1.00 13.32 C ATOM 322 CE1 HIS A 33 -8.209 -23.009 -2.049 1.00 13.81 C ATOM 323 NE2 HIS A 33 -7.753 -23.937 -1.227 1.00 15.29 N ATOM 324 H HIS A 33 -6.298 -20.232 -0.204 1.00 0.00 H ATOM 325 N VAL A 34 -6.875 -21.362 3.590 1.00 8.96 N ATOM 326 CA VAL A 34 -6.224 -22.333 4.455 1.00 9.67 C ATOM 327 C VAL A 34 -7.301 -23.224 5.062 1.00 9.85 C ATOM 328 O VAL A 34 -8.199 -22.724 5.734 1.00 8.97 O ATOM 329 CB VAL A 34 -5.436 -21.648 5.573 1.00 10.05 C ATOM 330 CG1 VAL A 34 -4.841 -22.685 6.522 1.00 10.46 C ATOM 331 CG2 VAL A 34 -4.368 -20.735 4.973 1.00 10.55 C ATOM 332 H VAL A 34 -7.587 -20.730 4.009 1.00 0.00 H ATOM 333 N ASN A 35 -7.229 -24.529 4.805 1.00 8.77 N ATOM 334 CA ASN A 35 -8.243 -25.466 5.289 1.00 8.73 C ATOM 335 C ASN A 35 -7.670 -26.504 6.238 1.00 9.57 C ATOM 336 O ASN A 35 -6.626 -27.095 5.960 1.00 9.87 O ATOM 337 CB ASN A 35 -8.907 -26.202 4.127 1.00 9.50 C ATOM 338 CG ASN A 35 -9.683 -25.279 3.208 1.00 12.78 C ATOM 339 OD1 ASN A 35 -10.248 -24.277 3.645 1.00 12.57 O ATOM 340 ND2 ASN A 35 -9.717 -25.619 1.923 1.00 13.45 N ATOM 341 HD22 ASN A 35 -9.224 -26.475 1.599 1.00 0.00 H ATOM 342 HD21 ASN A 35 -10.236 -25.028 1.242 1.00 0.00 H ATOM 343 H ASN A 35 -6.431 -24.891 4.245 1.00 0.00 H ATOM 344 N LEU A 36 -8.362 -26.729 7.346 1.00 6.14 N ATOM 345 CA LEU A 36 -8.050 -27.829 8.248 1.00 8.37 C ATOM 346 C LEU A 36 -9.109 -28.899 8.012 1.00 9.22 C ATOM 347 O LEU A 36 -10.269 -28.731 8.379 1.00 7.68 O ATOM 348 CB LEU A 36 -8.029 -27.369 9.707 1.00 6.87 C ATOM 349 CG LEU A 36 -6.986 -26.292 10.032 1.00 9.05 C ATOM 350 CD1 LEU A 36 -6.974 -25.959 11.517 1.00 9.44 C ATOM 351 CD2 LEU A 36 -5.622 -26.759 9.595 1.00 10.98 C ATOM 352 H LEU A 36 -9.155 -26.098 7.579 1.00 0.00 H ATOM 353 N LEU A 37 -8.703 -29.979 7.360 1.00 9.17 N ATOM 354 CA LEU A 37 -9.643 -30.976 6.863 1.00 9.91 C ATOM 355 C LEU A 37 -9.546 -32.275 7.643 1.00 10.24 C ATOM 356 O LEU A 37 -8.541 -32.546 8.293 1.00 10.84 O ATOM 357 CB LEU A 37 -9.395 -31.244 5.376 1.00 9.21 C ATOM 358 CG LEU A 37 -9.517 -30.012 4.474 1.00 13.26 C ATOM 359 CD1 LEU A 37 -9.210 -30.369 3.019 1.00 14.12 C ATOM 360 CD2 LEU A 37 -10.904 -29.383 4.602 1.00 11.94 C ATOM 361 H LEU A 37 -7.685 -30.119 7.198 1.00 0.00 H ATOM 362 N CYS A 38 -10.591 -33.085 7.553 1.00 9.61 N ATOM 363 CA CYS A 38 -10.669 -34.315 8.321 1.00 12.05 C ATOM 364 C CYS A 38 -10.153 -35.526 7.550 1.00 15.13 C ATOM 365 O CYS A 38 -9.988 -36.610 8.115 1.00 14.46 O ATOM 366 CB CYS A 38 -12.109 -34.544 8.765 1.00 15.54 C ATOM 367 SG CYS A 38 -12.708 -33.233 9.853 1.00 17.84 S ATOM 368 H CYS A 38 -11.374 -32.834 6.917 1.00 0.00 H ATOM 369 N GLY A 39 -9.896 -35.337 6.262 1.00 14.91 N ATOM 370 CA GLY A 39 -9.426 -36.421 5.420 1.00 17.44 C ATOM 371 C GLY A 39 -8.985 -35.946 4.051 1.00 19.48 C ATOM 372 O GLY A 39 -9.083 -34.757 3.729 1.00 16.00 O ATOM 373 H GLY A 39 -10.034 -34.393 5.848 1.00 0.00 H ATOM 374 N GLU A 40 -8.500 -36.880 3.241 1.00 18.45 N ATOM 375 CA GLU A 40 -7.946 -36.549 1.931 1.00 22.53 C ATOM 376 C GLU A 40 -8.985 -36.639 0.821 1.00 22.42 C ATOM 377 O GLU A 40 -8.711 -36.280 -0.326 1.00 26.69 O ATOM 378 CB GLU A 40 -6.767 -37.471 1.613 1.00 18.29 C ATOM 379 CG GLU A 40 -5.657 -37.418 2.647 1.00 23.77 C ATOM 380 CD GLU A 40 -4.673 -38.563 2.503 1.00 22.43 C ATOM 381 OE1 GLU A 40 -4.625 -39.172 1.417 1.00 24.98 O ATOM 382 OE2 GLU A 40 -3.957 -38.858 3.479 1.00 23.69 O ATOM 383 H GLU A 40 -8.515 -37.874 3.548 1.00 0.00 H ATOM 384 N GLU A 41 -10.174 -37.123 1.159 1.00 21.53 N ATOM 385 CA GLU A 41 -11.244 -37.233 0.178 1.00 25.57 C ATOM 386 C GLU A 41 -11.668 -35.846 -0.286 1.00 26.82 C ATOM 387 O GLU A 41 -11.613 -34.884 0.481 1.00 24.62 O ATOM 388 CB GLU A 41 -12.443 -37.995 0.754 1.00 23.05 C ATOM 389 CG GLU A 41 -13.237 -37.251 1.826 1.00 23.63 C ATOM 390 CD GLU A 41 -12.602 -37.322 3.205 1.00 22.73 C ATOM 391 OE1 GLU A 41 -11.482 -37.867 3.329 1.00 22.44 O ATOM 392 OE2 GLU A 41 -13.226 -36.829 4.171 1.00 23.45 O ATOM 393 H GLU A 41 -10.344 -37.428 2.139 1.00 0.00 H ATOM 394 N GLN A 42 -12.067 -35.736 -1.548 1.00 27.37 N ATOM 395 CA GLN A 42 -12.605 -34.480 -2.057 1.00 29.44 C ATOM 396 C GLN A 42 -13.859 -34.123 -1.281 1.00 25.10 C ATOM 397 O GLN A 42 -14.693 -34.983 -1.020 1.00 27.55 O ATOM 398 CB GLN A 42 -12.921 -34.584 -3.550 1.00 33.46 C ATOM 399 CG GLN A 42 -13.476 -33.308 -4.202 1.00 39.67 C ATOM 400 CD GLN A 42 -12.670 -32.053 -3.882 1.00 44.92 C ATOM 401 OE1 GLN A 42 -11.592 -31.839 -4.440 1.00 49.43 O ATOM 402 NE2 GLN A 42 -13.224 -31.185 -3.040 1.00 44.64 N ATOM 403 HE22 GLN A 42 -14.136 -31.406 -2.591 1.00 0.00 H ATOM 404 HE21 GLN A 42 -12.746 -30.286 -2.831 1.00 0.00 H ATOM 405 H GLN A 42 -11.995 -36.557 -2.182 1.00 0.00 H ATOM 406 N GLY A 43 -13.984 -32.855 -0.908 1.00 28.24 N ATOM 407 CA GLY A 43 -15.161 -32.377 -0.207 1.00 26.09 C ATOM 408 C GLY A 43 -15.155 -32.735 1.265 1.00 19.49 C ATOM 409 O GLY A 43 -16.193 -32.692 1.915 1.00 23.83 O ATOM 410 H GLY A 43 -13.217 -32.186 -1.124 1.00 0.00 H ATOM 411 N SER A 44 -13.982 -33.090 1.781 1.00 19.90 N ATOM 412 CA SER A 44 -13.823 -33.494 3.175 1.00 19.46 C ATOM 413 C SER A 44 -14.339 -32.429 4.137 1.00 16.91 C ATOM 414 O SER A 44 -14.241 -31.232 3.860 1.00 15.12 O ATOM 415 CB SER A 44 -12.350 -33.789 3.468 1.00 18.16 C ATOM 416 OG SER A 44 -12.128 -34.037 4.847 1.00 19.11 O ATOM 417 HG SER A 44 -12.665 -34.819 5.131 1.00 0.00 H ATOM 418 H SER A 44 -13.143 -33.079 1.166 1.00 0.00 H ATOM 419 N ASP A 45 -14.898 -32.872 5.259 1.00 14.12 N ATOM 420 CA ASP A 45 -15.318 -31.957 6.311 1.00 14.80 C ATOM 421 C ASP A 45 -14.172 -31.038 6.711 1.00 12.89 C ATOM 422 O ASP A 45 -13.010 -31.435 6.682 1.00 10.88 O ATOM 423 CB ASP A 45 -15.824 -32.729 7.528 1.00 15.64 C ATOM 424 CG ASP A 45 -17.244 -33.230 7.347 1.00 23.54 C ATOM 425 OD1 ASP A 45 -17.790 -33.068 6.235 1.00 22.07 O ATOM 426 OD2 ASP A 45 -17.812 -33.777 8.316 1.00 24.96 O ATOM 427 H ASP A 45 -15.038 -33.894 5.388 1.00 0.00 H ATOM 428 N ALA A 46 -14.512 -29.804 7.068 1.00 10.91 N ATOM 429 CA ALA A 46 -13.520 -28.806 7.417 1.00 10.10 C ATOM 430 C ALA A 46 -13.758 -28.268 8.826 1.00 9.87 C ATOM 431 O ALA A 46 -14.812 -27.693 9.118 1.00 8.05 O ATOM 432 CB ALA A 46 -13.533 -27.663 6.398 1.00 12.11 C ATOM 433 H ALA A 46 -15.519 -29.547 7.098 1.00 0.00 H ATOM 434 N ALA A 47 -12.781 -28.474 9.704 1.00 9.03 N ATOM 435 CA ALA A 47 -12.838 -27.899 11.038 1.00 8.75 C ATOM 436 C ALA A 47 -12.628 -26.395 10.939 1.00 8.37 C ATOM 437 O ALA A 47 -13.141 -25.621 11.749 1.00 9.62 O ATOM 438 CB ALA A 47 -11.790 -28.534 11.947 1.00 10.25 C ATOM 439 H ALA A 47 -11.963 -29.056 9.432 1.00 0.00 H ATOM 440 N LEU A 48 -11.866 -25.984 9.932 1.00 7.13 N ATOM 441 CA LEU A 48 -11.651 -24.567 9.681 1.00 7.89 C ATOM 442 C LEU A 48 -11.399 -24.319 8.206 1.00 8.60 C ATOM 443 O LEU A 48 -10.597 -25.012 7.569 1.00 6.69 O ATOM 444 CB LEU A 48 -10.475 -24.029 10.507 1.00 8.65 C ATOM 445 CG LEU A 48 -10.078 -22.584 10.178 1.00 9.48 C ATOM 446 CD1 LEU A 48 -11.150 -21.610 10.640 1.00 10.43 C ATOM 447 CD2 LEU A 48 -8.712 -22.223 10.761 1.00 7.90 C ATOM 448 H LEU A 48 -11.415 -26.687 9.312 1.00 0.00 H ATOM 449 N HIS A 49 -12.111 -23.333 7.678 1.00 5.84 N ATOM 450 CA HIS A 49 -11.891 -22.807 6.341 1.00 8.35 C ATOM 451 C HIS A 49 -11.623 -21.322 6.543 1.00 9.22 C ATOM 452 O HIS A 49 -12.496 -20.587 7.018 1.00 6.62 O ATOM 453 CB HIS A 49 -13.109 -23.071 5.437 1.00 7.90 C ATOM 454 CG HIS A 49 -13.103 -22.320 4.138 1.00 10.78 C ATOM 455 ND1 HIS A 49 -12.276 -22.652 3.085 1.00 9.83 N ATOM 456 CD2 HIS A 49 -13.860 -21.280 3.709 1.00 10.14 C ATOM 457 CE1 HIS A 49 -12.510 -21.834 2.073 1.00 12.87 C ATOM 458 NE2 HIS A 49 -13.470 -20.996 2.423 1.00 11.85 N ATOM 459 H HIS A 49 -12.869 -22.913 8.252 1.00 0.00 H ATOM 460 N PHE A 50 -10.399 -20.910 6.227 1.00 7.58 N ATOM 461 CA PHE A 50 -9.916 -19.550 6.441 1.00 8.90 C ATOM 462 C PHE A 50 -9.665 -18.939 5.077 1.00 8.39 C ATOM 463 O PHE A 50 -8.792 -19.386 4.347 1.00 7.50 O ATOM 464 CB PHE A 50 -8.649 -19.572 7.302 1.00 10.35 C ATOM 465 CG PHE A 50 -7.926 -18.252 7.393 1.00 8.99 C ATOM 466 CD1 PHE A 50 -8.354 -17.269 8.269 1.00 11.53 C ATOM 467 CD2 PHE A 50 -6.790 -18.015 6.635 1.00 7.93 C ATOM 468 CE1 PHE A 50 -7.674 -16.057 8.374 1.00 10.55 C ATOM 469 CE2 PHE A 50 -6.102 -16.804 6.735 1.00 8.46 C ATOM 470 CZ PHE A 50 -6.545 -15.829 7.607 1.00 9.23 C ATOM 471 H PHE A 50 -9.746 -21.599 5.802 1.00 0.00 H ATOM 472 N ASN A 51 -10.442 -17.922 4.726 1.00 9.17 N ATOM 473 CA ASN A 51 -10.565 -17.519 3.328 1.00 8.46 C ATOM 474 C ASN A 51 -10.448 -16.010 3.130 1.00 7.79 C ATOM 475 O ASN A 51 -11.458 -15.308 3.095 1.00 6.76 O ATOM 476 CB ASN A 51 -11.909 -18.043 2.787 1.00 8.48 C ATOM 477 CG ASN A 51 -12.120 -17.777 1.295 1.00 8.42 C ATOM 478 OD1 ASN A 51 -13.264 -17.639 0.844 1.00 9.82 O ATOM 479 ND2 ASN A 51 -11.038 -17.726 0.525 1.00 8.79 N ATOM 480 HD22 ASN A 51 -10.094 -17.847 0.945 1.00 0.00 H ATOM 481 HD21 ASN A 51 -11.135 -17.565 -0.498 1.00 0.00 H ATOM 482 H ASN A 51 -10.971 -17.405 5.457 1.00 0.00 H ATOM 483 N PRO A 52 -9.207 -15.502 3.025 1.00 6.99 N ATOM 484 CA PRO A 52 -8.999 -14.097 2.661 1.00 7.19 C ATOM 485 C PRO A 52 -9.454 -13.828 1.234 1.00 7.77 C ATOM 486 O PRO A 52 -8.934 -14.430 0.298 1.00 7.77 O ATOM 487 CB PRO A 52 -7.480 -13.915 2.800 1.00 9.76 C ATOM 488 CG PRO A 52 -7.067 -14.974 3.794 1.00 9.32 C ATOM 489 CD PRO A 52 -7.955 -16.147 3.467 1.00 7.95 C ATOM 490 N ARG A 53 -10.417 -12.931 1.071 1.00 7.57 N ATOM 491 CA ARG A 53 -10.929 -12.603 -0.255 1.00 10.77 C ATOM 492 C ARG A 53 -10.486 -11.200 -0.645 1.00 11.25 C ATOM 493 O ARG A 53 -11.091 -10.216 -0.223 1.00 7.69 O ATOM 494 CB ARG A 53 -12.457 -12.712 -0.281 1.00 9.18 C ATOM 495 CG ARG A 53 -12.974 -14.079 0.149 1.00 10.23 C ATOM 496 CD ARG A 53 -14.499 -14.095 0.230 1.00 10.94 C ATOM 497 NE ARG A 53 -15.018 -15.414 0.579 1.00 9.57 N ATOM 498 CZ ARG A 53 -16.295 -15.656 0.844 1.00 11.02 C ATOM 499 NH1 ARG A 53 -17.170 -14.661 0.810 1.00 9.47 N ATOM 500 NH2 ARG A 53 -16.698 -16.884 1.149 1.00 11.15 N ATOM 501 HE ARG A 53 -14.349 -16.209 0.622 1.00 0.00 H ATOM 502 HH12 ARG A 53 -18.173 -14.843 1.017 1.00 0.00 H ATOM 503 HH11 ARG A 53 -16.854 -13.698 0.577 1.00 0.00 H ATOM 504 HH22 ARG A 53 -17.701 -17.066 1.356 1.00 0.00 H ATOM 505 HH21 ARG A 53 -16.011 -17.664 1.181 1.00 0.00 H ATOM 506 H ARG A 53 -10.815 -12.452 1.904 1.00 0.00 H ATOM 507 N LEU A 54 -9.415 -11.119 -1.430 1.00 10.60 N ATOM 508 CA LEU A 54 -8.886 -9.836 -1.890 1.00 10.33 C ATOM 509 C LEU A 54 -9.876 -9.142 -2.806 1.00 12.67 C ATOM 510 O LEU A 54 -9.949 -7.914 -2.834 1.00 11.87 O ATOM 511 CB LEU A 54 -7.555 -10.018 -2.632 1.00 10.26 C ATOM 512 CG LEU A 54 -6.286 -10.387 -1.858 1.00 12.81 C ATOM 513 CD1 LEU A 54 -6.049 -9.415 -0.708 1.00 12.26 C ATOM 514 CD2 LEU A 54 -6.326 -11.829 -1.355 1.00 11.81 C ATOM 515 H LEU A 54 -8.939 -11.995 -1.726 1.00 0.00 H ATOM 516 N ASP A 55 -10.639 -9.925 -3.562 1.00 9.90 N ATOM 517 CA ASP A 55 -11.520 -9.333 -4.559 1.00 12.10 C ATOM 518 C ASP A 55 -12.718 -8.631 -3.920 1.00 14.99 C ATOM 519 O ASP A 55 -13.200 -7.632 -4.448 1.00 14.75 O ATOM 520 CB ASP A 55 -11.989 -10.379 -5.580 1.00 13.77 C ATOM 521 CG ASP A 55 -12.443 -11.686 -4.944 1.00 14.34 C ATOM 522 OD1 ASP A 55 -12.685 -11.736 -3.720 1.00 13.27 O ATOM 523 OD2 ASP A 55 -12.567 -12.680 -5.690 1.00 18.09 O ATOM 524 H ASP A 55 -10.607 -10.958 -3.442 1.00 0.00 H ATOM 525 N THR A 56 -13.176 -9.131 -2.776 1.00 13.38 N ATOM 526 CA THR A 56 -14.320 -8.529 -2.086 1.00 12.73 C ATOM 527 C THR A 56 -13.926 -7.843 -0.778 1.00 14.94 C ATOM 528 O THR A 56 -14.785 -7.336 -0.051 1.00 9.28 O ATOM 529 CB THR A 56 -15.396 -9.584 -1.778 1.00 14.22 C ATOM 530 OG1 THR A 56 -14.835 -10.591 -0.926 1.00 10.67 O ATOM 531 CG2 THR A 56 -15.888 -10.233 -3.069 1.00 12.22 C ATOM 532 HG1 THR A 56 -15.524 -11.273 -0.725 1.00 0.00 H ATOM 533 H THR A 56 -12.713 -9.966 -2.363 1.00 0.00 H ATOM 534 N SER A 57 -12.628 -7.844 -0.479 1.00 12.21 N ATOM 535 CA SER A 57 -12.106 -7.231 0.738 1.00 14.13 C ATOM 536 C SER A 57 -12.760 -7.769 2.011 1.00 14.00 C ATOM 537 O SER A 57 -13.186 -6.997 2.873 1.00 13.32 O ATOM 538 CB SER A 57 -12.263 -5.703 0.682 1.00 17.36 C ATOM 539 OG SER A 57 -11.414 -5.142 -0.303 1.00 14.62 O ATOM 540 HG SER A 57 -11.534 -4.159 -0.319 1.00 0.00 H ATOM 541 H SER A 57 -11.963 -8.298 -1.137 1.00 0.00 H ATOM 542 N GLU A 58 -12.823 -9.092 2.138 1.00 12.64 N ATOM 543 CA GLU A 58 -13.293 -9.715 3.371 1.00 13.85 C ATOM 544 C GLU A 58 -12.426 -10.913 3.715 1.00 10.73 C ATOM 545 O GLU A 58 -11.820 -11.514 2.833 1.00 10.02 O ATOM 546 CB GLU A 58 -14.753 -10.175 3.254 1.00 13.88 C ATOM 547 CG GLU A 58 -15.732 -9.133 2.761 1.00 16.95 C ATOM 548 CD GLU A 58 -17.166 -9.559 2.988 1.00 20.03 C ATOM 549 OE1 GLU A 58 -17.638 -10.482 2.285 1.00 17.72 O ATOM 550 OE2 GLU A 58 -17.814 -8.985 3.888 1.00 24.07 O ATOM 551 H GLU A 58 -12.531 -9.694 1.342 1.00 0.00 H ATOM 552 N VAL A 59 -12.373 -11.268 4.993 1.00 9.79 N ATOM 553 CA VAL A 59 -11.771 -12.537 5.376 1.00 7.91 C ATOM 554 C VAL A 59 -12.832 -13.395 6.046 1.00 9.09 C ATOM 555 O VAL A 59 -13.344 -13.050 7.113 1.00 9.89 O ATOM 556 CB VAL A 59 -10.562 -12.361 6.315 1.00 11.52 C ATOM 557 CG1 VAL A 59 -10.038 -13.723 6.752 1.00 8.81 C ATOM 558 CG2 VAL A 59 -9.451 -11.556 5.616 1.00 12.49 C ATOM 559 H VAL A 59 -12.763 -10.638 5.723 1.00 0.00 H ATOM 560 N VAL A 60 -13.154 -14.514 5.410 1.00 8.96 N ATOM 561 CA VAL A 60 -14.230 -15.387 5.860 1.00 7.89 C ATOM 562 C VAL A 60 -13.690 -16.594 6.623 1.00 8.97 C ATOM 563 O VAL A 60 -12.684 -17.186 6.233 1.00 8.23 O ATOM 564 CB VAL A 60 -15.091 -15.852 4.658 1.00 9.88 C ATOM 565 CG1 VAL A 60 -15.987 -17.027 5.035 1.00 10.76 C ATOM 566 CG2 VAL A 60 -15.924 -14.693 4.138 1.00 10.71 C ATOM 567 H VAL A 60 -12.618 -14.778 4.558 1.00 0.00 H ATOM 568 N PHE A 61 -14.352 -16.924 7.731 1.00 7.35 N ATOM 569 CA PHE A 61 -14.083 -18.136 8.500 1.00 8.09 C ATOM 570 C PHE A 61 -15.298 -19.033 8.440 1.00 8.53 C ATOM 571 O PHE A 61 -16.407 -18.557 8.667 1.00 8.45 O ATOM 572 CB PHE A 61 -13.799 -17.830 9.974 1.00 7.55 C ATOM 573 CG PHE A 61 -12.575 -17.003 10.218 1.00 9.15 C ATOM 574 CD1 PHE A 61 -12.546 -15.656 9.887 1.00 9.53 C ATOM 575 CD2 PHE A 61 -11.468 -17.564 10.841 1.00 8.62 C ATOM 576 CE1 PHE A 61 -11.417 -14.891 10.135 1.00 10.75 C ATOM 577 CE2 PHE A 61 -10.336 -16.798 11.100 1.00 10.13 C ATOM 578 CZ PHE A 61 -10.312 -15.467 10.744 1.00 10.91 C ATOM 579 H PHE A 61 -15.100 -16.284 8.066 1.00 0.00 H ATOM 580 N ASN A 62 -15.105 -20.323 8.182 1.00 7.01 N ATOM 581 CA ASN A 62 -16.235 -21.246 8.197 1.00 8.34 C ATOM 582 C ASN A 62 -15.831 -22.673 8.505 1.00 8.38 C ATOM 583 O ASN A 62 -14.648 -23.001 8.620 1.00 6.51 O ATOM 584 CB ASN A 62 -16.982 -21.213 6.855 1.00 7.58 C ATOM 585 CG ASN A 62 -18.477 -21.468 7.010 1.00 9.57 C ATOM 586 OD1 ASN A 62 -18.939 -21.894 8.073 1.00 9.06 O ATOM 587 ND2 ASN A 62 -19.236 -21.212 5.952 1.00 8.43 N ATOM 588 HD22 ASN A 62 -18.804 -20.854 5.076 1.00 0.00 H ATOM 589 HD21 ASN A 62 -20.263 -21.369 5.998 1.00 0.00 H ATOM 590 H ASN A 62 -14.149 -20.674 7.970 1.00 0.00 H ATOM 591 N SER A 63 -16.838 -23.518 8.643 1.00 8.30 N ATOM 592 CA SER A 63 -16.629 -24.943 8.797 1.00 7.52 C ATOM 593 C SER A 63 -17.489 -25.653 7.767 1.00 10.27 C ATOM 594 O SER A 63 -18.404 -25.062 7.195 1.00 10.84 O ATOM 595 CB SER A 63 -16.991 -25.393 10.208 1.00 11.61 C ATOM 596 OG SER A 63 -18.338 -25.051 10.486 1.00 13.46 O ATOM 597 HG SER A 63 -18.933 -25.500 9.834 1.00 0.00 H ATOM 598 H SER A 63 -17.810 -23.148 8.641 1.00 0.00 H ATOM 599 N LYS A 64 -17.191 -26.919 7.526 1.00 12.65 N ATOM 600 CA LYS A 64 -18.032 -27.748 6.686 1.00 12.87 C ATOM 601 C LYS A 64 -18.195 -29.075 7.410 1.00 18.37 C ATOM 602 O LYS A 64 -17.215 -29.684 7.834 1.00 12.23 O ATOM 603 CB LYS A 64 -17.422 -27.934 5.296 1.00 13.49 C ATOM 604 CG LYS A 64 -18.372 -28.568 4.291 1.00 17.97 C ATOM 605 CD LYS A 64 -17.632 -29.241 3.146 1.00 17.88 C ATOM 606 CE LYS A 64 -16.849 -28.246 2.326 1.00 20.70 C ATOM 607 NZ LYS A 64 -16.246 -28.861 1.100 1.00 26.66 N ATOM 608 HZ1 LYS A 64 -15.599 -29.626 1.380 1.00 0.00 H ATOM 609 HZ2 LYS A 64 -17.002 -29.247 0.500 1.00 0.00 H ATOM 610 HZ3 LYS A 64 -15.719 -28.135 0.573 1.00 0.00 H ATOM 611 H LYS A 64 -16.334 -27.329 7.949 1.00 0.00 H ATOM 612 N GLU A 65 -19.436 -29.506 7.589 1.00 20.92 N ATOM 613 CA GLU A 65 -19.689 -30.717 8.351 1.00 22.11 C ATOM 614 C GLU A 65 -20.795 -31.524 7.693 1.00 31.68 C ATOM 615 O GLU A 65 -21.874 -30.994 7.408 1.00 28.42 O ATOM 616 CB GLU A 65 -20.047 -30.368 9.794 1.00 25.35 C ATOM 617 CG GLU A 65 -19.991 -31.536 10.758 1.00 28.95 C ATOM 618 CD GLU A 65 -20.140 -31.087 12.193 1.00 30.42 C ATOM 619 OE1 GLU A 65 -20.311 -29.869 12.414 1.00 34.06 O ATOM 620 OE2 GLU A 65 -20.080 -31.944 13.099 1.00 41.15 O ATOM 621 H GLU A 65 -20.232 -28.975 7.182 1.00 0.00 H ATOM 622 N GLN A 66 -20.507 -32.800 7.442 1.00 34.23 N ATOM 623 CA GLN A 66 -21.424 -33.685 6.732 1.00 35.74 C ATOM 624 C GLN A 66 -21.803 -33.076 5.381 1.00 34.01 C ATOM 625 O GLN A 66 -22.952 -33.154 4.948 1.00 34.22 O ATOM 626 CB GLN A 66 -22.669 -33.964 7.584 1.00 37.14 C ATOM 627 CG GLN A 66 -23.419 -35.245 7.228 1.00 48.05 C ATOM 628 CD GLN A 66 -22.512 -36.345 6.703 1.00 51.16 C ATOM 629 OE1 GLN A 66 -21.593 -36.795 7.391 1.00 53.93 O ATOM 630 NE2 GLN A 66 -22.775 -36.789 5.478 1.00 53.14 N ATOM 631 HE22 GLN A 66 -23.561 -36.379 4.934 1.00 0.00 H ATOM 632 HE21 GLN A 66 -22.195 -37.546 5.064 1.00 0.00 H ATOM 633 H GLN A 66 -19.594 -33.180 7.764 1.00 0.00 H ATOM 634 N GLY A 67 -20.828 -32.453 4.727 1.00 32.54 N ATOM 635 CA GLY A 67 -21.026 -31.902 3.398 1.00 26.34 C ATOM 636 C GLY A 67 -21.688 -30.534 3.361 1.00 23.69 C ATOM 637 O GLY A 67 -21.827 -29.939 2.292 1.00 25.88 O ATOM 638 H GLY A 67 -19.897 -32.357 5.180 1.00 0.00 H ATOM 639 N SER A 68 -22.097 -30.032 4.521 1.00 22.96 N ATOM 640 CA SER A 68 -22.792 -28.748 4.586 1.00 21.73 C ATOM 641 C SER A 68 -21.958 -27.671 5.270 1.00 16.77 C ATOM 642 O SER A 68 -21.390 -27.899 6.337 1.00 16.99 O ATOM 643 CB SER A 68 -24.128 -28.897 5.319 1.00 22.18 C ATOM 644 OG SER A 68 -25.011 -29.745 4.606 1.00 25.13 O ATOM 645 HG SER A 68 -25.183 -29.362 3.709 1.00 0.00 H ATOM 646 H SER A 68 -21.920 -30.562 5.398 1.00 0.00 H ATOM 647 N TRP A 69 -21.903 -26.497 4.650 1.00 14.97 N ATOM 648 CA TRP A 69 -21.215 -25.346 5.228 1.00 13.37 C ATOM 649 C TRP A 69 -21.949 -24.771 6.432 1.00 13.43 C ATOM 650 O TRP A 69 -23.184 -24.768 6.487 1.00 12.16 O ATOM 651 CB TRP A 69 -21.033 -24.247 4.178 1.00 11.24 C ATOM 652 CG TRP A 69 -20.044 -24.575 3.119 1.00 14.44 C ATOM 653 CD1 TRP A 69 -20.304 -25.051 1.864 1.00 16.12 C ATOM 654 CD2 TRP A 69 -18.623 -24.449 3.216 1.00 14.10 C ATOM 655 NE1 TRP A 69 -19.126 -25.229 1.173 1.00 14.69 N ATOM 656 CE2 TRP A 69 -18.080 -24.868 1.985 1.00 18.79 C ATOM 657 CE3 TRP A 69 -17.753 -24.028 4.232 1.00 12.25 C ATOM 658 CZ2 TRP A 69 -16.708 -24.869 1.737 1.00 18.74 C ATOM 659 CZ3 TRP A 69 -16.394 -24.035 3.984 1.00 13.38 C ATOM 660 CH2 TRP A 69 -15.885 -24.453 2.747 1.00 18.15 C ATOM 661 HE1 TRP A 69 -19.043 -25.579 0.197 1.00 0.00 H ATOM 662 H TRP A 69 -22.365 -26.395 3.724 1.00 0.00 H ATOM 663 N GLY A 70 -21.182 -24.273 7.397 1.00 10.25 N ATOM 664 CA GLY A 70 -21.761 -23.591 8.535 1.00 13.68 C ATOM 665 C GLY A 70 -22.042 -22.134 8.219 1.00 10.29 C ATOM 666 O GLY A 70 -21.976 -21.703 7.068 1.00 9.67 O ATOM 667 H GLY A 70 -20.149 -24.375 7.333 1.00 0.00 H ATOM 668 N ARG A 71 -22.364 -21.372 9.251 1.00 9.11 N ATOM 669 CA ARG A 71 -22.546 -19.941 9.097 1.00 12.09 C ATOM 670 C ARG A 71 -21.185 -19.252 9.074 1.00 11.79 C ATOM 671 O ARG A 71 -20.343 -19.513 9.936 1.00 12.34 O ATOM 672 CB ARG A 71 -23.409 -19.390 10.223 1.00 13.39 C ATOM 673 CG ARG A 71 -23.557 -17.888 10.183 1.00 15.83 C ATOM 674 CD ARG A 71 -24.623 -17.423 11.142 1.00 19.89 C ATOM 675 NE ARG A 71 -25.026 -16.063 10.822 1.00 30.87 N ATOM 676 CZ ARG A 71 -26.049 -15.751 10.036 1.00 20.85 C ATOM 677 NH1 ARG A 71 -26.805 -16.699 9.497 1.00 18.60 N ATOM 678 NH2 ARG A 71 -26.326 -14.481 9.810 1.00 27.26 N ATOM 679 HE ARG A 71 -24.476 -15.283 11.236 1.00 0.00 H ATOM 680 HH12 ARG A 71 -27.604 -16.441 8.883 1.00 0.00 H ATOM 681 HH11 ARG A 71 -26.599 -17.700 9.689 1.00 0.00 H ATOM 682 HH22 ARG A 71 -27.125 -14.224 9.196 1.00 0.00 H ATOM 683 HH21 ARG A 71 -25.745 -13.737 10.246 1.00 0.00 H ATOM 684 H ARG A 71 -22.489 -21.806 10.188 1.00 0.00 H ATOM 685 N GLU A 72 -20.972 -18.383 8.090 1.00 8.90 N ATOM 686 CA GLU A 72 -19.702 -17.675 7.960 1.00 11.13 C ATOM 687 C GLU A 72 -19.478 -16.675 9.082 1.00 11.34 C ATOM 688 O GLU A 72 -20.408 -16.003 9.525 1.00 12.44 O ATOM 689 CB GLU A 72 -19.624 -16.945 6.609 1.00 10.30 C ATOM 690 CG GLU A 72 -19.544 -17.871 5.401 1.00 10.42 C ATOM 691 CD GLU A 72 -19.528 -17.120 4.078 1.00 11.39 C ATOM 692 OE1 GLU A 72 -19.965 -15.950 4.043 1.00 12.95 O ATOM 693 OE2 GLU A 72 -19.079 -17.702 3.070 1.00 13.55 O ATOM 694 H GLU A 72 -21.727 -18.204 7.398 1.00 0.00 H ATOM 695 N GLU A 73 -18.231 -16.594 9.537 1.00 10.69 N ATOM 696 CA GLU A 73 -17.778 -15.506 10.389 1.00 11.03 C ATOM 697 C GLU A 73 -16.837 -14.630 9.564 1.00 12.92 C ATOM 698 O GLU A 73 -16.140 -15.124 8.676 1.00 12.20 O ATOM 699 CB GLU A 73 -17.065 -16.032 11.644 1.00 13.13 C ATOM 700 CG GLU A 73 -17.894 -16.993 12.485 1.00 15.45 C ATOM 701 CD GLU A 73 -17.210 -17.398 13.786 1.00 17.05 C ATOM 702 OE1 GLU A 73 -16.185 -16.784 14.157 1.00 15.39 O ATOM 703 OE2 GLU A 73 -17.703 -18.336 14.444 1.00 16.07 O ATOM 704 H GLU A 73 -17.553 -17.338 9.273 1.00 0.00 H ATOM 705 N ARG A 74 -16.823 -13.333 9.842 1.00 13.75 N ATOM 706 CA ARG A 74 -15.940 -12.416 9.135 1.00 14.86 C ATOM 707 C ARG A 74 -15.045 -11.677 10.113 1.00 15.45 C ATOM 708 O ARG A 74 -15.513 -11.184 11.140 1.00 16.15 O ATOM 709 CB ARG A 74 -16.752 -11.428 8.292 1.00 13.22 C ATOM 710 CG ARG A 74 -17.360 -12.068 7.053 1.00 16.42 C ATOM 711 CD ARG A 74 -18.447 -11.209 6.418 1.00 17.31 C ATOM 712 NE ARG A 74 -18.606 -11.530 5.001 1.00 17.84 N ATOM 713 CZ ARG A 74 -19.129 -12.661 4.537 1.00 15.11 C ATOM 714 NH1 ARG A 74 -19.555 -13.601 5.377 1.00 14.98 N ATOM 715 NH2 ARG A 74 -19.215 -12.859 3.228 1.00 12.37 N ATOM 716 HE ARG A 74 -18.288 -10.824 4.307 1.00 0.00 H ATOM 717 HH12 ARG A 74 -19.963 -14.483 5.007 1.00 0.00 H ATOM 718 HH11 ARG A 74 -19.480 -13.454 6.404 1.00 0.00 H ATOM 719 HH22 ARG A 74 -19.623 -13.742 2.861 1.00 0.00 H ATOM 720 HH21 ARG A 74 -18.874 -12.131 2.568 1.00 0.00 H ATOM 721 H ARG A 74 -17.456 -12.963 10.580 1.00 0.00 H ATOM 722 N GLY A 75 -13.755 -11.631 9.797 1.00 13.12 N ATOM 723 CA GLY A 75 -12.798 -10.874 10.583 1.00 16.48 C ATOM 724 C GLY A 75 -12.937 -9.380 10.340 1.00 15.37 C ATOM 725 O GLY A 75 -13.628 -8.954 9.412 1.00 12.96 O ATOM 726 H GLY A 75 -13.421 -12.153 8.962 1.00 0.00 H ATOM 727 N PRO A 76 -12.272 -8.572 11.174 1.00 18.10 N ATOM 728 CA PRO A 76 -12.331 -7.109 11.061 1.00 19.43 C ATOM 729 C PRO A 76 -11.404 -6.562 9.979 1.00 19.09 C ATOM 730 O PRO A 76 -10.208 -6.406 10.222 1.00 23.58 O ATOM 731 CB PRO A 76 -11.889 -6.637 12.449 1.00 21.64 C ATOM 732 CG PRO A 76 -10.990 -7.729 12.948 1.00 20.36 C ATOM 733 CD PRO A 76 -11.491 -9.016 12.342 1.00 15.19 C ATOM 734 N GLY A 77 -11.950 -6.266 8.806 1.00 18.09 N ATOM 735 CA GLY A 77 -11.148 -5.749 7.708 1.00 21.59 C ATOM 736 C GLY A 77 -10.270 -6.823 7.082 1.00 22.00 C ATOM 737 O GLY A 77 -10.369 -8.002 7.432 1.00 19.25 O ATOM 738 H GLY A 77 -12.971 -6.406 8.669 1.00 0.00 H ATOM 739 N VAL A 78 -9.406 -6.419 6.157 1.00 18.97 N ATOM 740 CA VAL A 78 -8.541 -7.361 5.452 1.00 15.81 C ATOM 741 C VAL A 78 -7.077 -7.054 5.682 1.00 15.11 C ATOM 742 O VAL A 78 -6.547 -6.149 5.055 1.00 15.58 O ATOM 743 CB VAL A 78 -8.780 -7.322 3.945 1.00 19.35 C ATOM 744 CG1 VAL A 78 -8.470 -8.679 3.302 1.00 14.94 C ATOM 745 CG2 VAL A 78 -10.174 -6.884 3.674 1.00 22.47 C ATOM 746 H VAL A 78 -9.344 -5.406 5.929 1.00 0.00 H ATOM 747 N PRO A 79 -6.413 -7.819 6.563 1.00 15.64 N ATOM 748 CA PRO A 79 -4.982 -7.638 6.823 1.00 17.37 C ATOM 749 C PRO A 79 -4.115 -8.303 5.750 1.00 15.59 C ATOM 750 O PRO A 79 -3.072 -8.879 6.061 1.00 15.49 O ATOM 751 CB PRO A 79 -4.793 -8.310 8.183 1.00 17.74 C ATOM 752 CG PRO A 79 -5.812 -9.405 8.187 1.00 17.28 C ATOM 753 CD PRO A 79 -6.997 -8.879 7.407 1.00 19.34 C ATOM 754 N PHE A 80 -4.569 -8.233 4.502 1.00 14.06 N ATOM 755 CA PHE A 80 -3.840 -8.763 3.356 1.00 14.61 C ATOM 756 C PHE A 80 -3.939 -7.782 2.200 1.00 17.31 C ATOM 757 O PHE A 80 -4.973 -7.139 2.015 1.00 14.38 O ATOM 758 CB PHE A 80 -4.398 -10.123 2.917 1.00 13.20 C ATOM 759 CG PHE A 80 -4.361 -11.176 3.986 1.00 13.65 C ATOM 760 CD1 PHE A 80 -3.240 -11.981 4.149 1.00 12.92 C ATOM 761 CD2 PHE A 80 -5.452 -11.373 4.819 1.00 13.02 C ATOM 762 CE1 PHE A 80 -3.208 -12.957 5.131 1.00 13.65 C ATOM 763 CE2 PHE A 80 -5.427 -12.346 5.806 1.00 11.84 C ATOM 764 CZ PHE A 80 -4.307 -13.138 5.964 1.00 11.69 C ATOM 765 H PHE A 80 -5.489 -7.778 4.335 1.00 0.00 H ATOM 766 N GLN A 81 -2.872 -7.685 1.410 1.00 15.83 N ATOM 767 CA GLN A 81 -2.866 -6.826 0.233 1.00 16.41 C ATOM 768 C GLN A 81 -2.198 -7.500 -0.955 1.00 15.04 C ATOM 769 O GLN A 81 -1.177 -8.180 -0.800 1.00 13.22 O ATOM 770 CB GLN A 81 -2.141 -5.511 0.519 1.00 17.81 C ATOM 771 CG GLN A 81 -2.826 -4.597 1.507 1.00 24.81 C ATOM 772 CD GLN A 81 -2.046 -3.313 1.711 1.00 34.12 C ATOM 773 OE1 GLN A 81 -1.801 -2.564 0.761 1.00 37.31 O ATOM 774 NE2 GLN A 81 -1.638 -3.058 2.947 1.00 38.06 N ATOM 775 HE22 GLN A 81 -1.868 -3.718 3.717 1.00 0.00 H ATOM 776 HE21 GLN A 81 -1.088 -2.198 3.146 1.00 0.00 H ATOM 777 H GLN A 81 -2.021 -8.237 1.639 1.00 0.00 H ATOM 778 N ARG A 82 -2.766 -7.288 -2.140 1.00 14.49 N ATOM 779 CA ARG A 82 -2.139 -7.727 -3.380 1.00 14.98 C ATOM 780 C ARG A 82 -0.739 -7.116 -3.473 1.00 15.02 C ATOM 781 O ARG A 82 -0.564 -5.924 -3.229 1.00 14.24 O ATOM 782 CB ARG A 82 -2.992 -7.324 -4.586 1.00 13.43 C ATOM 783 CG ARG A 82 -4.314 -8.080 -4.681 1.00 13.98 C ATOM 784 CD ARG A 82 -5.256 -7.453 -5.697 1.00 15.57 C ATOM 785 NE ARG A 82 -6.456 -8.264 -5.882 1.00 14.73 N ATOM 786 CZ ARG A 82 -7.652 -7.775 -6.197 1.00 17.35 C ATOM 787 NH1 ARG A 82 -7.816 -6.468 -6.361 1.00 21.76 N ATOM 788 NH2 ARG A 82 -8.686 -8.595 -6.342 1.00 17.86 N ATOM 789 HE ARG A 82 -6.370 -9.293 -5.759 1.00 0.00 H ATOM 790 HH12 ARG A 82 -8.752 -6.088 -6.607 1.00 0.00 H ATOM 791 HH11 ARG A 82 -7.008 -5.824 -6.243 1.00 0.00 H ATOM 792 HH22 ARG A 82 -9.622 -8.214 -6.588 1.00 0.00 H ATOM 793 HH21 ARG A 82 -8.560 -9.619 -6.209 1.00 0.00 H ATOM 794 H ARG A 82 -3.681 -6.796 -2.182 1.00 0.00 H ATOM 795 N GLY A 83 0.253 -7.939 -3.792 1.00 13.14 N ATOM 796 CA GLY A 83 1.625 -7.475 -3.875 1.00 12.13 C ATOM 797 C GLY A 83 2.358 -7.378 -2.544 1.00 13.91 C ATOM 798 O GLY A 83 3.468 -6.847 -2.493 1.00 12.75 O ATOM 799 H GLY A 83 0.042 -8.939 -3.987 1.00 0.00 H ATOM 800 N GLN A 84 1.761 -7.881 -1.464 1.00 10.52 N ATOM 801 CA GLN A 84 2.419 -7.810 -0.157 1.00 10.06 C ATOM 802 C GLN A 84 2.578 -9.174 0.503 1.00 11.86 C ATOM 803 O GLN A 84 1.665 -9.994 0.472 1.00 11.93 O ATOM 804 CB GLN A 84 1.647 -6.877 0.780 1.00 12.99 C ATOM 805 CG GLN A 84 1.547 -5.446 0.268 1.00 16.31 C ATOM 806 CD GLN A 84 2.908 -4.807 0.061 1.00 15.83 C ATOM 807 OE1 GLN A 84 3.865 -5.120 0.767 1.00 19.27 O ATOM 808 NE2 GLN A 84 3.000 -3.912 -0.911 1.00 17.48 N ATOM 809 HE22 GLN A 84 2.164 -3.678 -1.483 1.00 0.00 H ATOM 810 HE21 GLN A 84 3.908 -3.443 -1.102 1.00 0.00 H ATOM 811 H GLN A 84 0.825 -8.326 -1.549 1.00 0.00 H ATOM 812 N PRO A 85 3.749 -9.421 1.108 1.00 12.22 N ATOM 813 CA PRO A 85 3.949 -10.668 1.844 1.00 11.58 C ATOM 814 C PRO A 85 3.240 -10.630 3.196 1.00 12.64 C ATOM 815 O PRO A 85 2.921 -9.555 3.705 1.00 11.33 O ATOM 816 CB PRO A 85 5.468 -10.739 2.003 1.00 16.40 C ATOM 817 CG PRO A 85 5.898 -9.305 2.037 1.00 17.52 C ATOM 818 CD PRO A 85 4.958 -8.575 1.106 1.00 12.47 C ATOM 819 N PHE A 86 2.990 -11.801 3.764 1.00 12.11 N ATOM 820 CA PHE A 86 2.234 -11.910 5.006 1.00 10.88 C ATOM 821 C PHE A 86 2.773 -13.042 5.867 1.00 11.26 C ATOM 822 O PHE A 86 3.454 -13.938 5.365 1.00 9.48 O ATOM 823 CB PHE A 86 0.747 -12.163 4.716 1.00 11.50 C ATOM 824 CG PHE A 86 0.485 -13.478 4.023 1.00 11.03 C ATOM 825 CD1 PHE A 86 0.313 -14.647 4.755 1.00 10.90 C ATOM 826 CD2 PHE A 86 0.426 -13.546 2.642 1.00 10.59 C ATOM 827 CE1 PHE A 86 0.088 -15.859 4.118 1.00 11.57 C ATOM 828 CE2 PHE A 86 0.202 -14.750 2.000 1.00 9.43 C ATOM 829 CZ PHE A 86 0.035 -15.909 2.738 1.00 10.42 C ATOM 830 H PHE A 86 3.343 -12.668 3.311 1.00 0.00 H ATOM 831 N GLU A 87 2.434 -13.004 7.153 1.00 10.63 N ATOM 832 CA GLU A 87 2.574 -14.158 8.030 1.00 10.99 C ATOM 833 C GLU A 87 1.290 -14.353 8.823 1.00 12.43 C ATOM 834 O GLU A 87 0.823 -13.440 9.504 1.00 11.70 O ATOM 835 CB GLU A 87 3.747 -14.009 9.000 1.00 10.04 C ATOM 836 CG GLU A 87 3.907 -15.229 9.915 1.00 14.05 C ATOM 837 CD GLU A 87 4.876 -14.996 11.057 1.00 21.96 C ATOM 838 OE1 GLU A 87 4.659 -14.041 11.828 1.00 29.35 O ATOM 839 OE2 GLU A 87 5.847 -15.772 11.191 1.00 19.84 O ATOM 840 H GLU A 87 2.056 -12.119 7.546 1.00 0.00 H ATOM 841 N VAL A 88 0.729 -15.549 8.728 1.00 8.61 N ATOM 842 CA VAL A 88 -0.439 -15.920 9.502 1.00 9.15 C ATOM 843 C VAL A 88 -0.065 -17.015 10.495 1.00 9.94 C ATOM 844 O VAL A 88 0.636 -17.962 10.146 1.00 10.57 O ATOM 845 CB VAL A 88 -1.588 -16.421 8.596 1.00 11.65 C ATOM 846 CG1 VAL A 88 -2.777 -16.886 9.434 1.00 10.17 C ATOM 847 CG2 VAL A 88 -2.004 -15.333 7.623 1.00 11.06 C ATOM 848 H VAL A 88 1.141 -16.246 8.075 1.00 0.00 H ATOM 849 N LEU A 89 -0.507 -16.866 11.738 1.00 8.11 N ATOM 850 CA LEU A 89 -0.512 -17.980 12.676 1.00 8.02 C ATOM 851 C LEU A 89 -1.938 -18.462 12.867 1.00 8.96 C ATOM 852 O LEU A 89 -2.829 -17.661 13.156 1.00 10.36 O ATOM 853 CB LEU A 89 0.074 -17.586 14.032 1.00 8.49 C ATOM 854 CG LEU A 89 1.477 -16.987 14.065 1.00 13.07 C ATOM 855 CD1 LEU A 89 1.918 -16.776 15.507 1.00 14.15 C ATOM 856 CD2 LEU A 89 2.443 -17.892 13.339 1.00 15.11 C ATOM 857 H LEU A 89 -0.856 -15.937 12.048 1.00 0.00 H ATOM 858 N ILE A 90 -2.154 -19.763 12.701 1.00 8.72 N ATOM 859 CA ILE A 90 -3.407 -20.385 13.115 1.00 9.76 C ATOM 860 C ILE A 90 -3.105 -21.211 14.352 1.00 9.96 C ATOM 861 O ILE A 90 -2.409 -22.221 14.272 1.00 10.79 O ATOM 862 CB ILE A 90 -4.026 -21.285 12.018 1.00 9.79 C ATOM 863 CG1 ILE A 90 -4.307 -20.479 10.750 1.00 9.38 C ATOM 864 CG2 ILE A 90 -5.299 -21.960 12.528 1.00 9.28 C ATOM 865 CD1 ILE A 90 -5.211 -19.288 10.955 1.00 10.13 C ATOM 866 H ILE A 90 -1.414 -20.350 12.267 1.00 0.00 H ATOM 867 N ILE A 91 -3.621 -20.770 15.493 1.00 9.28 N ATOM 868 CA ILE A 91 -3.283 -21.362 16.775 1.00 11.49 C ATOM 869 C ILE A 91 -4.461 -22.129 17.356 1.00 11.89 C ATOM 870 O ILE A 91 -5.516 -21.551 17.606 1.00 11.63 O ATOM 871 CB ILE A 91 -2.848 -20.287 17.793 1.00 12.15 C ATOM 872 CG1 ILE A 91 -1.702 -19.431 17.240 1.00 9.56 C ATOM 873 CG2 ILE A 91 -2.474 -20.926 19.127 1.00 9.61 C ATOM 874 CD1 ILE A 91 -1.369 -18.241 18.141 1.00 14.69 C ATOM 875 H ILE A 91 -4.290 -19.974 15.468 1.00 0.00 H ATOM 876 N ALA A 92 -4.278 -23.426 17.580 1.00 12.16 N ATOM 877 CA ALA A 92 -5.336 -24.245 18.162 1.00 14.71 C ATOM 878 C ALA A 92 -5.264 -24.246 19.686 1.00 15.53 C ATOM 879 O ALA A 92 -4.212 -24.505 20.276 1.00 13.69 O ATOM 880 CB ALA A 92 -5.265 -25.673 17.628 1.00 15.30 C ATOM 881 H ALA A 92 -3.367 -23.864 17.337 1.00 0.00 H ATOM 882 N SER A 93 -6.400 -23.953 20.311 1.00 17.21 N ATOM 883 CA SER A 93 -6.547 -24.018 21.759 1.00 15.61 C ATOM 884 C SER A 93 -7.661 -24.999 22.095 1.00 20.45 C ATOM 885 O SER A 93 -8.224 -25.637 21.202 1.00 17.22 O ATOM 886 CB SER A 93 -6.863 -22.637 22.335 1.00 18.24 C ATOM 887 OG SER A 93 -8.220 -22.302 22.094 1.00 20.58 O ATOM 888 HG SER A 93 -8.388 -22.292 21.118 1.00 0.00 H ATOM 889 H SER A 93 -7.221 -23.664 19.741 1.00 0.00 H ATOM 890 N ASP A 94 -7.989 -25.117 23.379 1.00 22.45 N ATOM 891 CA ASP A 94 -9.098 -25.970 23.797 1.00 23.70 C ATOM 892 C ASP A 94 -10.422 -25.456 23.246 1.00 23.51 C ATOM 893 O ASP A 94 -11.345 -26.233 23.003 1.00 20.43 O ATOM 894 CB ASP A 94 -9.182 -26.053 25.325 1.00 27.29 C ATOM 895 CG ASP A 94 -8.106 -26.936 25.925 1.00 31.96 C ATOM 896 OD1 ASP A 94 -7.988 -28.100 25.493 1.00 36.77 O ATOM 897 OD2 ASP A 94 -7.384 -26.471 26.835 1.00 33.67 O ATOM 898 H ASP A 94 -7.447 -24.594 24.096 1.00 0.00 H ATOM 899 N ASP A 95 -10.500 -24.143 23.043 1.00 18.94 N ATOM 900 CA ASP A 95 -11.768 -23.479 22.770 1.00 20.16 C ATOM 901 C ASP A 95 -11.997 -23.115 21.305 1.00 20.26 C ATOM 902 O ASP A 95 -13.134 -22.910 20.889 1.00 14.95 O ATOM 903 CB ASP A 95 -11.873 -22.220 23.626 1.00 22.38 C ATOM 904 CG ASP A 95 -11.724 -22.519 25.102 1.00 33.28 C ATOM 905 OD1 ASP A 95 -12.659 -23.111 25.685 1.00 35.82 O ATOM 906 OD2 ASP A 95 -10.672 -22.172 25.679 1.00 40.36 O ATOM 907 H ASP A 95 -9.630 -23.574 23.080 1.00 0.00 H ATOM 908 N GLY A 96 -10.925 -23.019 20.527 1.00 17.24 N ATOM 909 CA GLY A 96 -11.069 -22.680 19.124 1.00 13.41 C ATOM 910 C GLY A 96 -9.744 -22.430 18.437 1.00 15.12 C ATOM 911 O GLY A 96 -8.700 -22.874 18.906 1.00 14.93 O ATOM 912 H GLY A 96 -9.979 -23.187 20.925 1.00 0.00 H ATOM 913 N PHE A 97 -9.803 -21.725 17.311 1.00 13.20 N ATOM 914 CA PHE A 97 -8.617 -21.317 16.571 1.00 13.06 C ATOM 915 C PHE A 97 -8.419 -19.813 16.651 1.00 14.89 C ATOM 916 O PHE A 97 -9.329 -19.040 16.341 1.00 14.91 O ATOM 917 CB PHE A 97 -8.721 -21.723 15.104 1.00 9.44 C ATOM 918 CG PHE A 97 -8.882 -23.194 14.894 1.00 11.45 C ATOM 919 CD1 PHE A 97 -7.788 -24.037 14.966 1.00 11.91 C ATOM 920 CD2 PHE A 97 -10.126 -23.734 14.612 1.00 11.45 C ATOM 921 CE1 PHE A 97 -7.936 -25.405 14.772 1.00 13.43 C ATOM 922 CE2 PHE A 97 -10.277 -25.096 14.414 1.00 10.07 C ATOM 923 CZ PHE A 97 -9.181 -25.928 14.494 1.00 11.44 C ATOM 924 H PHE A 97 -10.737 -21.453 16.943 1.00 0.00 H ATOM 925 N LYS A 98 -7.229 -19.393 17.057 1.00 11.59 N ATOM 926 CA LYS A 98 -6.895 -17.980 16.990 1.00 14.13 C ATOM 927 C LYS A 98 -6.136 -17.706 15.702 1.00 12.74 C ATOM 928 O LYS A 98 -5.168 -18.401 15.390 1.00 11.58 O ATOM 929 CB LYS A 98 -6.066 -17.558 18.205 1.00 14.24 C ATOM 930 CG LYS A 98 -6.777 -17.773 19.531 1.00 16.97 C ATOM 931 CD LYS A 98 -5.880 -17.400 20.705 1.00 25.35 C ATOM 932 CE LYS A 98 -4.666 -18.314 20.779 1.00 20.64 C ATOM 933 NZ LYS A 98 -3.942 -18.167 22.069 1.00 23.91 N ATOM 934 HZ1 LYS A 98 -3.618 -17.184 22.173 1.00 0.00 H ATOM 935 HZ2 LYS A 98 -4.581 -18.408 22.853 1.00 0.00 H ATOM 936 HZ3 LYS A 98 -3.122 -18.806 22.080 1.00 0.00 H ATOM 937 H LYS A 98 -6.534 -20.075 17.424 1.00 0.00 H ATOM 938 N ALA A 99 -6.584 -16.710 14.947 1.00 11.33 N ATOM 939 CA ALA A 99 -5.848 -16.271 13.770 1.00 10.93 C ATOM 940 C ALA A 99 -5.074 -15.007 14.118 1.00 11.89 C ATOM 941 O ALA A 99 -5.648 -14.007 14.563 1.00 13.29 O ATOM 942 CB ALA A 99 -6.785 -16.035 12.589 1.00 10.45 C ATOM 943 H ALA A 99 -7.474 -16.236 15.200 1.00 0.00 H ATOM 944 N VAL A 100 -3.761 -15.083 13.954 1.00 10.61 N ATOM 945 CA VAL A 100 -2.871 -13.948 14.147 1.00 12.43 C ATOM 946 C VAL A 100 -2.299 -13.558 12.799 1.00 11.85 C ATOM 947 O VAL A 100 -1.758 -14.397 12.082 1.00 10.80 O ATOM 948 CB VAL A 100 -1.720 -14.278 15.115 1.00 13.50 C ATOM 949 CG1 VAL A 100 -0.733 -13.104 15.198 1.00 16.00 C ATOM 950 CG2 VAL A 100 -2.268 -14.654 16.489 1.00 13.07 C ATOM 951 H VAL A 100 -3.348 -15.996 13.675 1.00 0.00 H ATOM 952 N VAL A 101 -2.444 -12.295 12.432 1.00 9.92 N ATOM 953 CA VAL A 101 -1.881 -11.830 11.176 1.00 11.61 C ATOM 954 C VAL A 101 -0.929 -10.678 11.463 1.00 17.83 C ATOM 955 O VAL A 101 -1.290 -9.732 12.169 1.00 16.45 O ATOM 956 CB VAL A 101 -2.973 -11.382 10.181 1.00 13.46 C ATOM 957 CG1 VAL A 101 -2.357 -11.106 8.826 1.00 12.20 C ATOM 958 CG2 VAL A 101 -4.060 -12.447 10.055 1.00 10.62 C ATOM 959 H VAL A 101 -2.962 -11.633 13.044 1.00 0.00 H ATOM 960 N GLY A 102 0.288 -10.783 10.931 1.00 17.79 N ATOM 961 CA GLY A 102 1.330 -9.779 11.100 1.00 21.24 C ATOM 962 C GLY A 102 1.418 -9.069 12.442 1.00 26.37 C ATOM 963 O GLY A 102 1.088 -7.882 12.531 1.00 30.81 O ATOM 964 H GLY A 102 0.506 -11.627 10.364 1.00 0.00 H ATOM 965 N ASP A 103 1.835 -9.801 13.475 1.00 26.00 N ATOM 966 CA ASP A 103 2.084 -9.254 14.821 1.00 27.35 C ATOM 967 C ASP A 103 0.828 -8.916 15.629 1.00 26.08 C ATOM 968 O ASP A 103 0.940 -8.440 16.759 1.00 26.85 O ATOM 969 CB ASP A 103 2.959 -7.993 14.747 1.00 32.45 C ATOM 970 CG ASP A 103 4.329 -8.270 14.173 1.00 37.20 C ATOM 971 OD1 ASP A 103 5.297 -8.370 14.961 1.00 39.15 O ATOM 972 OD2 ASP A 103 4.438 -8.392 12.931 1.00 42.25 O ATOM 973 H ASP A 103 1.994 -10.817 13.322 1.00 0.00 H ATOM 974 N ALA A 104 -0.362 -9.154 15.080 1.00 20.86 N ATOM 975 CA ALA A 104 -1.581 -8.774 15.797 1.00 21.88 C ATOM 976 C ALA A 104 -2.651 -9.863 15.793 1.00 20.51 C ATOM 977 O ALA A 104 -2.926 -10.470 14.760 1.00 14.89 O ATOM 978 CB ALA A 104 -2.146 -7.490 15.210 1.00 24.18 C ATOM 979 H ALA A 104 -0.425 -9.608 14.146 1.00 0.00 H ATOM 980 N GLN A 105 -3.248 -10.102 16.960 1.00 18.15 N ATOM 981 CA GLN A 105 -4.414 -10.972 17.061 1.00 16.42 C ATOM 982 C GLN A 105 -5.510 -10.452 16.135 1.00 17.99 C ATOM 983 O GLN A 105 -5.819 -9.255 16.125 1.00 18.18 O ATOM 984 CB GLN A 105 -4.909 -11.050 18.507 1.00 21.09 C ATOM 985 CG GLN A 105 -6.259 -11.729 18.677 1.00 19.86 C ATOM 986 CD GLN A 105 -6.224 -13.207 18.337 1.00 22.13 C ATOM 987 OE1 GLN A 105 -5.158 -13.824 18.307 1.00 22.33 O ATOM 988 NE2 GLN A 105 -7.396 -13.787 18.089 1.00 24.39 N ATOM 989 HE22 GLN A 105 -8.271 -13.227 18.126 1.00 0.00 H ATOM 990 HE21 GLN A 105 -7.436 -14.800 17.859 1.00 0.00 H ATOM 991 H GLN A 105 -2.873 -9.656 17.821 1.00 0.00 H ATOM 992 N TYR A 106 -6.079 -11.346 15.334 1.00 14.94 N ATOM 993 CA TYR A 106 -7.020 -10.933 14.301 1.00 15.83 C ATOM 994 C TYR A 106 -8.450 -11.425 14.540 1.00 16.81 C ATOM 995 O TYR A 106 -9.399 -10.641 14.469 1.00 13.34 O ATOM 996 CB TYR A 106 -6.528 -11.413 12.934 1.00 14.81 C ATOM 997 CG TYR A 106 -7.474 -11.103 11.804 1.00 15.25 C ATOM 998 CD1 TYR A 106 -7.718 -9.794 11.419 1.00 14.15 C ATOM 999 CD2 TYR A 106 -8.123 -12.124 11.117 1.00 14.57 C ATOM 1000 CE1 TYR A 106 -8.583 -9.505 10.392 1.00 15.53 C ATOM 1001 CE2 TYR A 106 -8.984 -11.845 10.078 1.00 13.85 C ATOM 1002 CZ TYR A 106 -9.210 -10.535 9.719 1.00 15.77 C ATOM 1003 OH TYR A 106 -10.072 -10.250 8.689 1.00 15.87 O ATOM 1004 HH TYR A 106 -10.120 -9.269 8.562 1.00 0.00 H ATOM 1005 H TYR A 106 -5.850 -12.354 15.446 1.00 0.00 H ATOM 1006 N HIS A 107 -8.603 -12.717 14.808 1.00 13.09 N ATOM 1007 CA HIS A 107 -9.931 -13.294 15.009 1.00 14.10 C ATOM 1008 C HIS A 107 -9.855 -14.606 15.778 1.00 16.27 C ATOM 1009 O HIS A 107 -8.868 -15.337 15.686 1.00 16.45 O ATOM 1010 CB HIS A 107 -10.629 -13.512 13.661 1.00 13.78 C ATOM 1011 CG HIS A 107 -12.058 -13.946 13.779 1.00 14.96 C ATOM 1012 ND1 HIS A 107 -13.059 -13.098 14.201 1.00 16.73 N ATOM 1013 CD2 HIS A 107 -12.657 -15.133 13.517 1.00 14.52 C ATOM 1014 CE1 HIS A 107 -14.212 -13.746 14.202 1.00 17.28 C ATOM 1015 NE2 HIS A 107 -13.996 -14.982 13.788 1.00 14.19 N ATOM 1016 H HIS A 107 -7.764 -13.328 14.876 1.00 0.00 H ATOM 1017 N HIS A 108 -10.895 -14.886 16.556 1.00 16.64 N ATOM 1018 CA HIS A 108 -11.005 -16.145 17.268 1.00 14.53 C ATOM 1019 C HIS A 108 -12.235 -16.900 16.773 1.00 17.48 C ATOM 1020 O HIS A 108 -13.360 -16.405 16.861 1.00 14.54 O ATOM 1021 CB HIS A 108 -11.085 -15.929 18.781 1.00 16.97 C ATOM 1022 CG HIS A 108 -11.302 -17.193 19.553 1.00 19.83 C ATOM 1023 ND1 HIS A 108 -10.291 -18.097 19.804 1.00 22.50 N ATOM 1024 CD2 HIS A 108 -12.419 -17.719 20.109 1.00 21.95 C ATOM 1025 CE1 HIS A 108 -10.773 -19.118 20.489 1.00 19.78 C ATOM 1026 NE2 HIS A 108 -12.064 -18.915 20.684 1.00 21.71 N ATOM 1027 H HIS A 108 -11.653 -14.181 16.658 1.00 0.00 H ATOM 1028 N PHE A 109 -11.995 -18.094 16.244 1.00 17.02 N ATOM 1029 CA PHE A 109 -13.026 -18.944 15.660 1.00 12.16 C ATOM 1030 C PHE A 109 -13.264 -20.119 16.594 1.00 13.62 C ATOM 1031 O PHE A 109 -12.406 -20.986 16.717 1.00 13.29 O ATOM 1032 CB PHE A 109 -12.578 -19.415 14.269 1.00 13.90 C ATOM 1033 CG PHE A 109 -13.608 -20.223 13.506 1.00 12.08 C ATOM 1034 CD1 PHE A 109 -14.614 -19.592 12.792 1.00 11.45 C ATOM 1035 CD2 PHE A 109 -13.529 -21.611 13.454 1.00 10.86 C ATOM 1036 CE1 PHE A 109 -15.545 -20.324 12.052 1.00 9.20 C ATOM 1037 CE2 PHE A 109 -14.462 -22.354 12.727 1.00 10.90 C ATOM 1038 CZ PHE A 109 -15.471 -21.706 12.023 1.00 9.48 C ATOM 1039 H PHE A 109 -11.015 -18.443 16.246 1.00 0.00 H ATOM 1040 N ARG A 110 -14.407 -20.147 17.277 1.00 13.41 N ATOM 1041 CA ARG A 110 -14.665 -21.238 18.217 1.00 12.48 C ATOM 1042 C ARG A 110 -14.837 -22.558 17.474 1.00 12.57 C ATOM 1043 O ARG A 110 -15.346 -22.583 16.355 1.00 11.95 O ATOM 1044 CB ARG A 110 -15.900 -20.951 19.069 1.00 17.58 C ATOM 1045 CG ARG A 110 -15.680 -19.854 20.089 1.00 24.52 C ATOM 1046 CD ARG A 110 -16.834 -19.792 21.074 1.00 33.11 C ATOM 1047 NE ARG A 110 -17.037 -18.434 21.565 1.00 38.93 N ATOM 1048 CZ ARG A 110 -18.213 -17.814 21.578 1.00 46.08 C ATOM 1049 NH1 ARG A 110 -19.298 -18.424 21.114 1.00 46.98 N ATOM 1050 NH2 ARG A 110 -18.301 -16.574 22.038 1.00 47.16 N ATOM 1051 HE ARG A 110 -16.210 -17.918 21.928 1.00 0.00 H ATOM 1052 HH12 ARG A 110 -20.215 -17.934 21.127 1.00 0.00 H ATOM 1053 HH11 ARG A 110 -19.230 -19.391 20.738 1.00 0.00 H ATOM 1054 HH22 ARG A 110 -19.220 -16.087 22.049 1.00 0.00 H ATOM 1055 HH21 ARG A 110 -17.451 -16.088 22.388 1.00 0.00 H ATOM 1056 H ARG A 110 -15.114 -19.396 17.143 1.00 0.00 H ATOM 1057 N HIS A 111 -14.393 -23.644 18.100 1.00 11.93 N ATOM 1058 CA HIS A 111 -14.516 -24.972 17.514 1.00 14.05 C ATOM 1059 C HIS A 111 -15.963 -25.302 17.209 1.00 13.93 C ATOM 1060 O HIS A 111 -16.852 -25.016 17.999 1.00 14.43 O ATOM 1061 CB HIS A 111 -13.949 -26.045 18.448 1.00 15.42 C ATOM 1062 CG HIS A 111 -12.459 -26.017 18.574 1.00 13.01 C ATOM 1063 ND1 HIS A 111 -11.621 -25.971 17.482 1.00 15.45 N ATOM 1064 CD2 HIS A 111 -11.659 -26.055 19.664 1.00 15.92 C ATOM 1065 CE1 HIS A 111 -10.365 -25.971 17.895 1.00 16.22 C ATOM 1066 NE2 HIS A 111 -10.361 -26.021 19.215 1.00 16.03 N ATOM 1067 H HIS A 111 -13.946 -23.542 19.033 1.00 0.00 H ATOM 1068 N ARG A 112 -16.186 -25.914 16.056 1.00 14.76 N ATOM 1069 CA ARG A 112 -17.503 -26.423 15.704 1.00 16.21 C ATOM 1070 C ARG A 112 -17.415 -27.933 15.530 1.00 16.12 C ATOM 1071 O ARG A 112 -18.328 -28.668 15.899 1.00 18.86 O ATOM 1072 CB ARG A 112 -18.012 -25.746 14.443 1.00 13.07 C ATOM 1073 CG ARG A 112 -18.023 -24.231 14.555 1.00 14.65 C ATOM 1074 CD ARG A 112 -18.310 -23.614 13.215 1.00 16.42 C ATOM 1075 NE ARG A 112 -18.564 -22.182 13.291 1.00 13.64 N ATOM 1076 CZ ARG A 112 -18.979 -21.460 12.260 1.00 12.57 C ATOM 1077 NH1 ARG A 112 -19.178 -22.048 11.089 1.00 9.25 N ATOM 1078 NH2 ARG A 112 -19.188 -20.159 12.397 1.00 13.01 N ATOM 1079 HE ARG A 112 -18.412 -21.701 14.201 1.00 0.00 H ATOM 1080 HH12 ARG A 112 -19.504 -21.489 10.275 1.00 0.00 H ATOM 1081 HH11 ARG A 112 -19.009 -23.069 10.984 1.00 0.00 H ATOM 1082 HH22 ARG A 112 -19.514 -19.596 11.585 1.00 0.00 H ATOM 1083 HH21 ARG A 112 -19.026 -19.700 13.316 1.00 0.00 H ATOM 1084 H ARG A 112 -15.400 -26.034 15.385 1.00 0.00 H ATOM 1085 N LEU A 113 -16.293 -28.385 14.980 1.00 14.35 N ATOM 1086 CA LEU A 113 -15.983 -29.807 14.907 1.00 14.86 C ATOM 1087 C LEU A 113 -14.985 -30.145 16.002 1.00 15.53 C ATOM 1088 O LEU A 113 -14.208 -29.283 16.412 1.00 15.38 O ATOM 1089 CB LEU A 113 -15.399 -30.185 13.540 1.00 14.31 C ATOM 1090 CG LEU A 113 -16.293 -30.239 12.300 1.00 16.38 C ATOM 1091 CD1 LEU A 113 -16.850 -28.872 11.925 1.00 16.26 C ATOM 1092 CD2 LEU A 113 -15.511 -30.826 11.135 1.00 14.46 C ATOM 1093 H LEU A 113 -15.614 -27.701 14.589 1.00 0.00 H ATOM 1094 N PRO A 114 -15.000 -31.398 16.482 1.00 16.41 N ATOM 1095 CA PRO A 114 -13.966 -31.828 17.427 1.00 18.01 C ATOM 1096 C PRO A 114 -12.578 -31.712 16.807 1.00 18.74 C ATOM 1097 O PRO A 114 -12.358 -32.161 15.677 1.00 14.73 O ATOM 1098 CB PRO A 114 -14.321 -33.292 17.707 1.00 16.94 C ATOM 1099 CG PRO A 114 -15.775 -33.402 17.380 1.00 21.93 C ATOM 1100 CD PRO A 114 -16.011 -32.444 16.248 1.00 17.16 C ATOM 1101 N LEU A 115 -11.659 -31.110 17.551 1.00 17.80 N ATOM 1102 CA LEU A 115 -10.296 -30.891 17.095 1.00 17.14 C ATOM 1103 C LEU A 115 -9.602 -32.197 16.707 1.00 19.15 C ATOM 1104 O LEU A 115 -8.730 -32.204 15.841 1.00 13.43 O ATOM 1105 CB LEU A 115 -9.502 -30.170 18.185 1.00 17.72 C ATOM 1106 CG LEU A 115 -8.139 -29.574 17.853 1.00 19.45 C ATOM 1107 CD1 LEU A 115 -8.231 -28.638 16.652 1.00 13.73 C ATOM 1108 CD2 LEU A 115 -7.608 -28.830 19.071 1.00 19.44 C ATOM 1109 H LEU A 115 -11.925 -30.781 18.501 1.00 0.00 H ATOM 1110 N ALA A 116 -10.006 -33.304 17.329 1.00 15.55 N ATOM 1111 CA ALA A 116 -9.350 -34.588 17.087 1.00 19.55 C ATOM 1112 C ALA A 116 -9.600 -35.126 15.675 1.00 15.76 C ATOM 1113 O ALA A 116 -8.858 -35.981 15.193 1.00 14.98 O ATOM 1114 CB ALA A 116 -9.795 -35.611 18.123 1.00 22.95 C ATOM 1115 H ALA A 116 -10.801 -33.254 17.998 1.00 0.00 H ATOM 1116 N ARG A 117 -10.635 -34.625 15.008 1.00 13.60 N ATOM 1117 CA ARG A 117 -10.938 -35.077 13.652 1.00 13.88 C ATOM 1118 C ARG A 117 -9.985 -34.527 12.590 1.00 12.99 C ATOM 1119 O ARG A 117 -9.895 -35.086 11.498 1.00 12.59 O ATOM 1120 CB ARG A 117 -12.371 -34.698 13.262 1.00 16.55 C ATOM 1121 CG ARG A 117 -13.456 -35.410 14.043 1.00 18.96 C ATOM 1122 CD ARG A 117 -14.819 -35.228 13.380 1.00 21.11 C ATOM 1123 NE ARG A 117 -15.900 -35.556 14.302 1.00 26.83 N ATOM 1124 CZ ARG A 117 -17.126 -35.049 14.234 1.00 30.99 C ATOM 1125 NH1 ARG A 117 -17.439 -34.178 13.281 1.00 26.97 N ATOM 1126 NH2 ARG A 117 -18.039 -35.408 15.129 1.00 30.80 N ATOM 1127 HE ARG A 117 -15.697 -36.233 15.065 1.00 0.00 H ATOM 1128 HH12 ARG A 117 -18.400 -33.784 13.232 1.00 0.00 H ATOM 1129 HH11 ARG A 117 -16.723 -33.890 12.584 1.00 0.00 H ATOM 1130 HH22 ARG A 117 -19.000 -35.013 15.079 1.00 0.00 H ATOM 1131 HH21 ARG A 117 -17.793 -36.084 15.880 1.00 0.00 H ATOM 1132 H ARG A 117 -11.235 -33.904 15.456 1.00 0.00 H ATOM 1133 N VAL A 118 -9.303 -33.424 12.886 1.00 11.45 N ATOM 1134 CA VAL A 118 -8.423 -32.806 11.893 1.00 12.21 C ATOM 1135 C VAL A 118 -7.289 -33.756 11.525 1.00 13.33 C ATOM 1136 O VAL A 118 -6.660 -34.342 12.403 1.00 11.32 O ATOM 1137 CB VAL A 118 -7.827 -31.471 12.398 1.00 14.03 C ATOM 1138 CG1 VAL A 118 -6.789 -30.944 11.421 1.00 12.41 C ATOM 1139 CG2 VAL A 118 -8.927 -30.439 12.624 1.00 12.79 C ATOM 1140 H VAL A 118 -9.396 -32.998 13.830 1.00 0.00 H ATOM 1141 N ARG A 119 -7.036 -33.920 10.229 1.00 11.75 N ATOM 1142 CA ARG A 119 -5.974 -34.823 9.789 1.00 14.08 C ATOM 1143 C ARG A 119 -5.157 -34.259 8.626 1.00 13.07 C ATOM 1144 O ARG A 119 -4.170 -34.862 8.198 1.00 13.50 O ATOM 1145 CB ARG A 119 -6.568 -36.182 9.393 1.00 16.57 C ATOM 1146 CG ARG A 119 -5.912 -37.374 10.092 1.00 21.81 C ATOM 1147 CD ARG A 119 -6.348 -38.700 9.477 1.00 20.53 C ATOM 1148 NE ARG A 119 -5.526 -39.818 9.939 1.00 21.11 N ATOM 1149 CZ ARG A 119 -4.387 -40.198 9.370 1.00 24.89 C ATOM 1150 NH1 ARG A 119 -3.917 -39.545 8.312 1.00 22.64 N ATOM 1151 NH2 ARG A 119 -3.712 -41.228 9.866 1.00 24.94 N ATOM 1152 HE ARG A 119 -5.855 -40.352 10.769 1.00 0.00 H ATOM 1153 HH12 ARG A 119 -3.025 -39.846 7.869 1.00 0.00 H ATOM 1154 HH11 ARG A 119 -4.441 -38.734 7.927 1.00 0.00 H ATOM 1155 HH22 ARG A 119 -2.820 -41.527 9.422 1.00 0.00 H ATOM 1156 HH21 ARG A 119 -4.075 -41.735 10.698 1.00 0.00 H ATOM 1157 H ARG A 119 -7.598 -33.402 9.524 1.00 0.00 H ATOM 1158 N LEU A 120 -5.555 -33.099 8.119 1.00 13.07 N ATOM 1159 CA LEU A 120 -4.932 -32.558 6.912 1.00 14.14 C ATOM 1160 C LEU A 120 -4.964 -31.036 6.892 1.00 11.51 C ATOM 1161 O LEU A 120 -5.943 -30.433 7.319 1.00 9.43 O ATOM 1162 CB LEU A 120 -5.635 -33.116 5.665 1.00 13.92 C ATOM 1163 CG LEU A 120 -5.287 -32.513 4.301 1.00 19.13 C ATOM 1164 CD1 LEU A 120 -3.832 -32.729 4.013 1.00 23.79 C ATOM 1165 CD2 LEU A 120 -6.127 -33.107 3.183 1.00 20.84 C ATOM 1166 H LEU A 120 -6.319 -32.569 8.585 1.00 0.00 H ATOM 1167 N VAL A 121 -3.879 -30.429 6.415 1.00 10.55 N ATOM 1168 CA VAL A 121 -3.825 -28.992 6.150 1.00 10.39 C ATOM 1169 C VAL A 121 -3.615 -28.768 4.657 1.00 12.19 C ATOM 1170 O VAL A 121 -2.676 -29.314 4.066 1.00 12.19 O ATOM 1171 CB VAL A 121 -2.676 -28.287 6.916 1.00 12.44 C ATOM 1172 CG1 VAL A 121 -2.694 -26.776 6.650 1.00 10.92 C ATOM 1173 CG2 VAL A 121 -2.759 -28.560 8.403 1.00 16.97 C ATOM 1174 H VAL A 121 -3.033 -31.002 6.222 1.00 0.00 H ATOM 1175 N GLU A 122 -4.483 -27.977 4.036 1.00 8.39 N ATOM 1176 CA GLU A 122 -4.248 -27.585 2.659 1.00 11.48 C ATOM 1177 C GLU A 122 -4.307 -26.059 2.518 1.00 13.37 C ATOM 1178 O GLU A 122 -5.150 -25.385 3.117 1.00 9.29 O ATOM 1179 CB GLU A 122 -5.245 -28.267 1.713 1.00 14.44 C ATOM 1180 CG GLU A 122 -6.650 -27.712 1.747 1.00 22.03 C ATOM 1181 CD GLU A 122 -7.540 -28.285 0.649 1.00 26.13 C ATOM 1182 OE1 GLU A 122 -7.131 -29.273 -0.004 1.00 32.63 O ATOM 1183 OE2 GLU A 122 -8.652 -27.751 0.450 1.00 21.42 O ATOM 1184 H GLU A 122 -5.330 -27.639 4.536 1.00 0.00 H ATOM 1185 N VAL A 123 -3.374 -25.520 1.749 1.00 10.82 N ATOM 1186 CA VAL A 123 -3.354 -24.096 1.452 1.00 12.53 C ATOM 1187 C VAL A 123 -3.367 -23.969 -0.057 1.00 15.46 C ATOM 1188 O VAL A 123 -2.515 -24.553 -0.734 1.00 15.18 O ATOM 1189 CB VAL A 123 -2.120 -23.392 2.048 1.00 11.82 C ATOM 1190 CG1 VAL A 123 -2.166 -21.891 1.768 1.00 14.31 C ATOM 1191 CG2 VAL A 123 -2.031 -23.656 3.543 1.00 11.11 C ATOM 1192 H VAL A 123 -2.635 -26.131 1.346 1.00 0.00 H ATOM 1193 N GLY A 124 -4.351 -23.245 -0.585 1.00 13.61 N ATOM 1194 CA GLY A 124 -4.518 -23.119 -2.022 1.00 12.26 C ATOM 1195 C GLY A 124 -5.077 -21.774 -2.440 1.00 12.86 C ATOM 1196 O GLY A 124 -5.265 -20.884 -1.610 1.00 11.00 O ATOM 1197 H GLY A 124 -5.017 -22.757 0.047 1.00 0.00 H ATOM 1198 N GLY A 125 -5.341 -21.623 -3.733 1.00 11.36 N ATOM 1199 CA GLY A 125 -5.882 -20.383 -4.253 1.00 13.00 C ATOM 1200 C GLY A 125 -4.775 -19.453 -4.712 1.00 11.56 C ATOM 1201 O GLY A 125 -3.659 -19.890 -4.994 1.00 9.52 O ATOM 1202 H GLY A 125 -5.156 -22.411 -4.386 1.00 0.00 H ATOM 1203 N ASP A 126 -5.094 -18.166 -4.787 1.00 11.56 N ATOM 1204 CA ASP A 126 -4.168 -17.170 -5.304 1.00 12.16 C ATOM 1205 C ASP A 126 -3.176 -16.735 -4.244 1.00 11.79 C ATOM 1206 O ASP A 126 -3.329 -15.683 -3.613 1.00 11.16 O ATOM 1207 CB ASP A 126 -4.940 -15.970 -5.847 1.00 11.59 C ATOM 1208 CG ASP A 126 -5.813 -16.344 -7.022 1.00 15.42 C ATOM 1209 OD1 ASP A 126 -5.454 -17.310 -7.725 1.00 17.10 O ATOM 1210 OD2 ASP A 126 -6.856 -15.696 -7.229 1.00 16.80 O ATOM 1211 H ASP A 126 -6.035 -17.861 -4.466 1.00 0.00 H ATOM 1212 N VAL A 127 -2.154 -17.559 -4.054 1.00 8.34 N ATOM 1213 CA VAL A 127 -1.152 -17.296 -3.033 1.00 8.70 C ATOM 1214 C VAL A 127 0.152 -17.949 -3.449 1.00 10.23 C ATOM 1215 O VAL A 127 0.149 -19.025 -4.043 1.00 10.94 O ATOM 1216 CB VAL A 127 -1.589 -17.830 -1.639 1.00 8.56 C ATOM 1217 CG1 VAL A 127 -1.759 -19.345 -1.670 1.00 9.35 C ATOM 1218 CG2 VAL A 127 -0.589 -17.428 -0.573 1.00 11.29 C ATOM 1219 H VAL A 127 -2.068 -18.409 -4.646 1.00 0.00 H ATOM 1220 N GLN A 128 1.269 -17.287 -3.167 1.00 9.49 N ATOM 1221 CA GLN A 128 2.568 -17.888 -3.406 1.00 10.94 C ATOM 1222 C GLN A 128 3.251 -18.112 -2.073 1.00 11.13 C ATOM 1223 O GLN A 128 3.824 -17.202 -1.492 1.00 8.06 O ATOM 1224 CB GLN A 128 3.408 -17.024 -4.338 1.00 11.00 C ATOM 1225 CG GLN A 128 2.758 -16.851 -5.703 1.00 12.67 C ATOM 1226 CD GLN A 128 3.644 -16.124 -6.689 1.00 12.05 C ATOM 1227 OE1 GLN A 128 3.838 -14.918 -6.586 1.00 10.40 O ATOM 1228 NE2 GLN A 128 4.183 -16.856 -7.653 1.00 12.76 N ATOM 1229 HE22 GLN A 128 3.990 -17.877 -7.701 1.00 0.00 H ATOM 1230 HE21 GLN A 128 4.799 -16.410 -8.362 1.00 0.00 H ATOM 1231 H GLN A 128 1.212 -16.327 -2.771 1.00 0.00 H ATOM 1232 N LEU A 129 3.149 -19.347 -1.598 1.00 10.47 N ATOM 1233 CA LEU A 129 3.609 -19.731 -0.273 1.00 11.83 C ATOM 1234 C LEU A 129 5.125 -19.695 -0.158 1.00 11.64 C ATOM 1235 O LEU A 129 5.845 -20.196 -1.017 1.00 10.32 O ATOM 1236 CB LEU A 129 3.096 -21.128 0.085 1.00 10.13 C ATOM 1237 CG LEU A 129 1.597 -21.191 0.378 1.00 15.26 C ATOM 1238 CD1 LEU A 129 1.137 -22.633 0.478 1.00 16.26 C ATOM 1239 CD2 LEU A 129 1.310 -20.440 1.650 1.00 11.19 C ATOM 1240 H LEU A 129 2.719 -20.076 -2.203 1.00 0.00 H ATOM 1241 N ASP A 130 5.591 -19.076 0.914 1.00 9.44 N ATOM 1242 CA ASP A 130 6.999 -19.093 1.284 1.00 9.31 C ATOM 1243 C ASP A 130 7.230 -20.390 2.051 1.00 11.53 C ATOM 1244 O ASP A 130 8.019 -21.247 1.640 1.00 8.54 O ATOM 1245 CB ASP A 130 7.334 -17.858 2.130 1.00 9.88 C ATOM 1246 CG ASP A 130 8.816 -17.734 2.466 1.00 12.77 C ATOM 1247 OD1 ASP A 130 9.532 -18.749 2.529 1.00 12.41 O ATOM 1248 OD2 ASP A 130 9.258 -16.588 2.677 1.00 16.88 O ATOM 1249 H ASP A 130 4.924 -18.555 1.518 1.00 0.00 H ATOM 1250 N SER A 131 6.500 -20.552 3.150 1.00 10.00 N ATOM 1251 CA SER A 131 6.569 -21.793 3.913 1.00 10.15 C ATOM 1252 C SER A 131 5.289 -22.079 4.698 1.00 12.31 C ATOM 1253 O SER A 131 4.550 -21.163 5.082 1.00 9.18 O ATOM 1254 CB SER A 131 7.754 -21.751 4.873 1.00 12.10 C ATOM 1255 OG SER A 131 7.555 -20.763 5.871 1.00 11.61 O ATOM 1256 HG SER A 131 6.734 -20.974 6.383 1.00 0.00 H ATOM 1257 H SER A 131 5.873 -19.786 3.469 1.00 0.00 H ATOM 1258 N VAL A 132 5.042 -23.362 4.929 1.00 8.17 N ATOM 1259 CA VAL A 132 3.981 -23.811 5.821 1.00 11.75 C ATOM 1260 C VAL A 132 4.603 -24.728 6.862 1.00 13.63 C ATOM 1261 O VAL A 132 5.155 -25.780 6.526 1.00 12.23 O ATOM 1262 CB VAL A 132 2.858 -24.556 5.075 1.00 12.46 C ATOM 1263 CG1 VAL A 132 1.826 -25.085 6.059 1.00 11.87 C ATOM 1264 CG2 VAL A 132 2.195 -23.640 4.058 1.00 13.10 C ATOM 1265 H VAL A 132 5.630 -24.076 4.454 1.00 0.00 H ATOM 1266 N ARG A 133 4.534 -24.322 8.122 1.00 10.08 N ATOM 1267 CA ARG A 133 5.108 -25.122 9.193 1.00 12.32 C ATOM 1268 C ARG A 133 4.059 -25.404 10.250 1.00 12.90 C ATOM 1269 O ARG A 133 3.249 -24.536 10.568 1.00 11.86 O ATOM 1270 CB ARG A 133 6.312 -24.403 9.807 1.00 12.98 C ATOM 1271 CG ARG A 133 7.480 -24.195 8.851 1.00 13.86 C ATOM 1272 CD ARG A 133 8.169 -25.517 8.513 1.00 17.17 C ATOM 1273 NE ARG A 133 9.416 -25.309 7.778 1.00 21.04 N ATOM 1274 CZ ARG A 133 9.541 -25.453 6.461 1.00 24.07 C ATOM 1275 NH1 ARG A 133 8.496 -25.815 5.728 1.00 25.83 N ATOM 1276 NH2 ARG A 133 10.714 -25.243 5.875 1.00 22.84 N ATOM 1277 HE ARG A 133 10.259 -25.031 8.319 1.00 0.00 H ATOM 1278 HH12 ARG A 133 8.596 -25.927 4.699 1.00 0.00 H ATOM 1279 HH11 ARG A 133 7.577 -25.987 6.183 1.00 0.00 H ATOM 1280 HH22 ARG A 133 10.809 -25.356 4.846 1.00 0.00 H ATOM 1281 HH21 ARG A 133 11.538 -24.965 6.446 1.00 0.00 H ATOM 1282 H ARG A 133 4.064 -23.422 8.347 1.00 0.00 H ATOM 1283 N ILE A 134 4.061 -26.622 10.784 1.00 12.61 N ATOM 1284 CA ILE A 134 3.139 -26.976 11.861 1.00 11.38 C ATOM 1285 C ILE A 134 3.929 -27.391 13.098 1.00 12.97 C ATOM 1286 O ILE A 134 4.729 -28.323 13.045 1.00 13.36 O ATOM 1287 CB ILE A 134 2.176 -28.125 11.461 1.00 11.15 C ATOM 1288 CG1 ILE A 134 1.414 -27.782 10.177 1.00 18.42 C ATOM 1289 CG2 ILE A 134 1.208 -28.437 12.594 1.00 16.46 C ATOM 1290 CD1 ILE A 134 1.950 -28.481 8.930 1.00 18.35 C ATOM 1291 H ILE A 134 4.730 -27.335 10.429 1.00 0.00 H ATOM 1292 N PHE A 135 3.718 -26.681 14.201 1.00 10.90 N ATOM 1293 CA PHE A 135 4.367 -27.012 15.466 1.00 14.93 C ATOM 1294 C PHE A 135 3.335 -27.421 16.515 1.00 16.71 C ATOM 1295 O PHE A 135 2.573 -26.603 17.025 1.00 15.95 O ATOM 1296 CB PHE A 135 5.191 -25.828 15.971 1.00 13.87 C ATOM 1297 CG PHE A 135 6.042 -25.190 14.913 1.00 11.61 C ATOM 1298 CD1 PHE A 135 7.130 -25.862 14.383 1.00 13.69 C ATOM 1299 CD2 PHE A 135 5.757 -23.915 14.452 1.00 13.56 C ATOM 1300 CE1 PHE A 135 7.919 -25.278 13.410 1.00 14.73 C ATOM 1301 CE2 PHE A 135 6.541 -23.323 13.481 1.00 12.83 C ATOM 1302 CZ PHE A 135 7.625 -24.006 12.960 1.00 13.33 C ATOM 1303 OXT PHE A 135 3.229 -28.585 16.883 1.00 19.44 O ATOM 1304 H PHE A 135 3.072 -25.867 14.162 1.00 0.00 H TER 1305 PHE A 135 ATOM 1306 N PRO B 4 17.504 -7.831 32.154 1.00 32.57 N ATOM 1307 CA PRO B 4 16.544 -8.941 32.185 1.00 29.42 C ATOM 1308 C PRO B 4 15.106 -8.477 31.965 1.00 29.14 C ATOM 1309 O PRO B 4 14.506 -7.848 32.837 1.00 29.67 O ATOM 1310 CB PRO B 4 16.722 -9.521 33.592 1.00 33.33 C ATOM 1311 CG PRO B 4 17.257 -8.391 34.399 1.00 31.76 C ATOM 1312 CD PRO B 4 18.145 -7.623 33.464 1.00 31.10 C ATOM 1313 HN2 PRO B 4 17.004 -6.961 31.882 1.00 0.00 H ATOM 1314 HN1 PRO B 4 18.239 -8.041 31.449 1.00 0.00 H ATOM 1315 N HIS B 5 14.564 -8.798 30.798 1.00 22.33 N ATOM 1316 CA HIS B 5 13.199 -8.438 30.456 1.00 21.74 C ATOM 1317 C HIS B 5 12.160 -9.228 31.255 1.00 21.05 C ATOM 1318 O HIS B 5 12.335 -10.425 31.502 1.00 18.97 O ATOM 1319 CB HIS B 5 12.970 -8.658 28.962 1.00 19.51 C ATOM 1320 CG HIS B 5 11.545 -8.477 28.540 1.00 16.63 C ATOM 1321 ND1 HIS B 5 11.032 -7.254 28.167 1.00 15.62 N ATOM 1322 CD2 HIS B 5 10.523 -9.361 28.444 1.00 16.96 C ATOM 1323 CE1 HIS B 5 9.754 -7.392 27.858 1.00 19.35 C ATOM 1324 NE2 HIS B 5 9.419 -8.661 28.021 1.00 17.12 N ATOM 1325 H HIS B 5 15.134 -9.324 30.106 1.00 0.00 H ATOM 1326 N LYS B 6 11.081 -8.558 31.651 1.00 18.97 N ATOM 1327 CA LYS B 6 9.918 -9.243 32.208 1.00 17.87 C ATOM 1328 C LYS B 6 8.626 -8.761 31.561 1.00 20.01 C ATOM 1329 O LYS B 6 8.417 -7.553 31.391 1.00 18.38 O ATOM 1330 CB LYS B 6 9.820 -9.048 33.724 1.00 19.82 C ATOM 1331 CG LYS B 6 10.964 -9.628 34.527 1.00 23.23 C ATOM 1332 CD LYS B 6 10.549 -9.808 35.978 1.00 27.49 C ATOM 1333 CE LYS B 6 11.751 -9.885 36.901 1.00 31.90 C ATOM 1334 NZ LYS B 6 12.396 -8.555 37.031 1.00 36.78 N ATOM 1335 HZ1 LYS B 6 12.710 -8.230 36.094 1.00 0.00 H ATOM 1336 HZ2 LYS B 6 11.712 -7.876 37.423 1.00 0.00 H ATOM 1337 HZ3 LYS B 6 13.216 -8.629 37.666 1.00 0.00 H ATOM 1338 H LYS B 6 11.066 -7.522 31.562 1.00 0.00 H ATOM 1339 N SER B 7 7.769 -9.716 31.204 1.00 15.33 N ATOM 1340 CA SER B 7 6.426 -9.436 30.701 1.00 19.29 C ATOM 1341 C SER B 7 5.402 -10.309 31.428 1.00 18.14 C ATOM 1342 O SER B 7 5.535 -11.532 31.453 1.00 15.81 O ATOM 1343 CB SER B 7 6.334 -9.689 29.186 1.00 16.95 C ATOM 1344 OG SER B 7 6.908 -8.640 28.426 1.00 22.43 O ATOM 1345 HG SER B 7 6.824 -8.849 27.462 1.00 0.00 H ATOM 1346 H SER B 7 8.070 -10.708 31.287 1.00 0.00 H ATOM 1347 N SER B 8 4.383 -9.687 32.014 1.00 17.88 N ATOM 1348 CA SER B 8 3.291 -10.442 32.619 1.00 18.82 C ATOM 1349 C SER B 8 2.430 -11.103 31.546 1.00 19.96 C ATOM 1350 O SER B 8 2.260 -10.566 30.455 1.00 20.03 O ATOM 1351 CB SER B 8 2.426 -9.538 33.499 1.00 21.55 C ATOM 1352 OG SER B 8 3.184 -8.981 34.553 1.00 26.67 O ATOM 1353 HG SER B 8 2.602 -8.402 35.106 1.00 0.00 H ATOM 1354 H SER B 8 4.364 -8.648 32.041 1.00 0.00 H ATOM 1355 N LEU B 9 1.892 -12.276 31.855 1.00 22.76 N ATOM 1356 CA LEU B 9 0.968 -12.930 30.938 1.00 21.81 C ATOM 1357 C LEU B 9 -0.428 -12.350 31.143 1.00 24.66 C ATOM 1358 O LEU B 9 -0.995 -12.471 32.228 1.00 29.78 O ATOM 1359 CB LEU B 9 0.968 -14.445 31.148 1.00 22.87 C ATOM 1360 CG LEU B 9 2.343 -15.121 31.197 1.00 23.09 C ATOM 1361 CD1 LEU B 9 2.189 -16.624 31.140 1.00 27.69 C ATOM 1362 CD2 LEU B 9 3.251 -14.641 30.081 1.00 24.40 C ATOM 1363 H LEU B 9 2.132 -12.732 32.759 1.00 0.00 H ATOM 1364 N PRO B 10 -0.980 -11.712 30.096 1.00 27.57 N ATOM 1365 CA PRO B 10 -2.247 -10.964 30.136 1.00 29.74 C ATOM 1366 C PRO B 10 -3.458 -11.773 30.612 1.00 34.14 C ATOM 1367 O PRO B 10 -4.306 -11.224 31.315 1.00 35.10 O ATOM 1368 CB PRO B 10 -2.440 -10.516 28.678 1.00 31.47 C ATOM 1369 CG PRO B 10 -1.506 -11.363 27.868 1.00 29.43 C ATOM 1370 CD PRO B 10 -0.354 -11.654 28.764 1.00 25.03 C ATOM 1371 N GLU B 11 -3.549 -13.043 30.238 1.00 33.68 N ATOM 1372 CA GLU B 11 -4.634 -13.884 30.738 1.00 38.43 C ATOM 1373 C GLU B 11 -4.119 -15.205 31.283 1.00 36.07 C ATOM 1374 O GLU B 11 -4.780 -16.236 31.158 1.00 44.04 O ATOM 1375 CB GLU B 11 -5.668 -14.150 29.644 1.00 41.45 C ATOM 1376 CG GLU B 11 -6.744 -13.084 29.534 1.00 47.08 C ATOM 1377 CD GLU B 11 -7.934 -13.550 28.717 1.00 55.14 C ATOM 1378 OE1 GLU B 11 -8.087 -14.779 28.539 1.00 51.47 O ATOM 1379 OE2 GLU B 11 -8.719 -12.691 28.261 1.00 56.55 O ATOM 1380 H GLU B 11 -2.844 -13.442 29.585 1.00 0.00 H ATOM 1381 N GLY B 12 -2.944 -15.173 31.895 1.00 34.10 N ATOM 1382 CA GLY B 12 -2.315 -16.389 32.364 1.00 33.63 C ATOM 1383 C GLY B 12 -1.946 -17.251 31.175 1.00 35.16 C ATOM 1384 O GLY B 12 -1.670 -16.739 30.088 1.00 30.37 O ATOM 1385 H GLY B 12 -2.467 -14.260 32.040 1.00 0.00 H ATOM 1386 N ILE B 13 -1.956 -18.564 31.368 1.00 33.00 N ATOM 1387 CA ILE B 13 -1.534 -19.470 30.312 1.00 28.95 C ATOM 1388 C ILE B 13 -2.375 -20.749 30.305 1.00 31.20 C ATOM 1389 O ILE B 13 -2.752 -21.284 31.352 1.00 31.04 O ATOM 1390 CB ILE B 13 -0.026 -19.794 30.453 1.00 31.46 C ATOM 1391 CG1 ILE B 13 0.514 -20.549 29.240 1.00 29.81 C ATOM 1392 CG2 ILE B 13 0.238 -20.571 31.711 1.00 33.14 C ATOM 1393 CD1 ILE B 13 2.031 -20.507 29.141 1.00 28.75 C ATOM 1394 H ILE B 13 -2.268 -18.948 32.283 1.00 0.00 H ATOM 1395 N ARG B 14 -2.694 -21.205 29.101 1.00 26.52 N ATOM 1396 CA ARG B 14 -3.439 -22.434 28.891 1.00 25.24 C ATOM 1397 C ARG B 14 -2.936 -23.029 27.579 1.00 20.20 C ATOM 1398 O ARG B 14 -2.181 -22.366 26.868 1.00 18.95 O ATOM 1399 CB ARG B 14 -4.946 -22.157 28.859 1.00 28.31 C ATOM 1400 CG ARG B 14 -5.383 -21.201 27.764 1.00 31.61 C ATOM 1401 CD ARG B 14 -6.802 -20.703 27.999 1.00 39.08 C ATOM 1402 NE ARG B 14 -6.953 -20.113 29.327 1.00 43.90 N ATOM 1403 CZ ARG B 14 -6.604 -18.868 29.639 1.00 45.90 C ATOM 1404 NH1 ARG B 14 -6.074 -18.070 28.720 1.00 42.72 N ATOM 1405 NH2 ARG B 14 -6.780 -18.420 30.876 1.00 44.57 N ATOM 1406 HE ARG B 14 -7.360 -20.706 30.078 1.00 0.00 H ATOM 1407 HH12 ARG B 14 -5.803 -17.097 28.970 1.00 0.00 H ATOM 1408 HH11 ARG B 14 -5.930 -18.417 27.750 1.00 0.00 H ATOM 1409 HH22 ARG B 14 -6.507 -17.447 31.120 1.00 0.00 H ATOM 1410 HH21 ARG B 14 -7.191 -19.042 31.601 1.00 0.00 H ATOM 1411 H ARG B 14 -2.397 -20.657 28.269 1.00 0.00 H ATOM 1412 N PRO B 15 -3.315 -24.280 27.260 1.00 21.29 N ATOM 1413 CA PRO B 15 -2.905 -24.773 25.938 1.00 19.28 C ATOM 1414 C PRO B 15 -3.377 -23.842 24.822 1.00 19.01 C ATOM 1415 O PRO B 15 -4.561 -23.511 24.753 1.00 18.93 O ATOM 1416 CB PRO B 15 -3.581 -26.141 25.850 1.00 18.71 C ATOM 1417 CG PRO B 15 -3.697 -26.583 27.274 1.00 24.09 C ATOM 1418 CD PRO B 15 -3.980 -25.329 28.055 1.00 21.49 C ATOM 1419 N GLY B 16 -2.447 -23.403 23.979 1.00 15.78 N ATOM 1420 CA GLY B 16 -2.762 -22.433 22.946 1.00 15.94 C ATOM 1421 C GLY B 16 -2.111 -21.080 23.178 1.00 17.21 C ATOM 1422 O GLY B 16 -2.100 -20.227 22.291 1.00 16.07 O ATOM 1423 H GLY B 16 -1.474 -23.762 24.061 1.00 0.00 H ATOM 1424 N THR B 17 -1.582 -20.862 24.377 1.00 16.74 N ATOM 1425 CA THR B 17 -0.825 -19.639 24.630 1.00 17.00 C ATOM 1426 C THR B 17 0.502 -19.725 23.885 1.00 14.64 C ATOM 1427 O THR B 17 1.201 -20.733 23.968 1.00 13.98 O ATOM 1428 CB THR B 17 -0.562 -19.409 26.133 1.00 19.86 C ATOM 1429 OG1 THR B 17 -1.808 -19.323 26.837 1.00 19.62 O ATOM 1430 CG2 THR B 17 0.239 -18.121 26.353 1.00 18.03 C ATOM 1431 HG1 THR B 17 -2.312 -20.167 26.718 1.00 0.00 H ATOM 1432 H THR B 17 -1.707 -21.562 25.136 1.00 0.00 H ATOM 1433 N VAL B 18 0.836 -18.676 23.140 1.00 13.27 N ATOM 1434 CA VAL B 18 2.064 -18.660 22.354 1.00 13.38 C ATOM 1435 C VAL B 18 2.909 -17.434 22.658 1.00 14.81 C ATOM 1436 O VAL B 18 2.435 -16.301 22.583 1.00 17.09 O ATOM 1437 CB VAL B 18 1.772 -18.682 20.842 1.00 13.14 C ATOM 1438 CG1 VAL B 18 3.070 -18.579 20.045 1.00 9.53 C ATOM 1439 CG2 VAL B 18 1.002 -19.937 20.471 1.00 13.32 C ATOM 1440 H VAL B 18 0.207 -17.848 23.117 1.00 0.00 H ATOM 1441 N LEU B 19 4.165 -17.666 22.999 1.00 13.58 N ATOM 1442 CA LEU B 19 5.103 -16.577 23.204 1.00 11.24 C ATOM 1443 C LEU B 19 6.056 -16.535 22.029 1.00 12.30 C ATOM 1444 O LEU B 19 6.657 -17.549 21.675 1.00 12.82 O ATOM 1445 CB LEU B 19 5.874 -16.753 24.513 1.00 14.64 C ATOM 1446 CG LEU B 19 5.046 -16.682 25.798 1.00 18.93 C ATOM 1447 CD1 LEU B 19 4.487 -18.052 26.187 1.00 20.14 C ATOM 1448 CD2 LEU B 19 5.887 -16.094 26.914 1.00 22.38 C ATOM 1449 H LEU B 19 4.487 -18.647 23.123 1.00 0.00 H ATOM 1450 N ARG B 20 6.174 -15.372 21.406 1.00 12.88 N ATOM 1451 CA ARG B 20 7.103 -15.215 20.300 1.00 14.00 C ATOM 1452 C ARG B 20 8.192 -14.245 20.710 1.00 13.42 C ATOM 1453 O ARG B 20 7.921 -13.100 21.070 1.00 14.01 O ATOM 1454 CB ARG B 20 6.392 -14.732 19.034 1.00 15.12 C ATOM 1455 CG ARG B 20 7.322 -14.583 17.836 1.00 19.35 C ATOM 1456 CD ARG B 20 6.546 -14.594 16.521 1.00 20.04 C ATOM 1457 NE ARG B 20 5.774 -13.371 16.330 1.00 28.83 N ATOM 1458 CZ ARG B 20 4.870 -13.196 15.369 1.00 26.62 C ATOM 1459 NH1 ARG B 20 4.615 -14.170 14.506 1.00 23.91 N ATOM 1460 NH2 ARG B 20 4.220 -12.043 15.274 1.00 28.52 N ATOM 1461 HE ARG B 20 5.941 -12.584 16.989 1.00 0.00 H ATOM 1462 HH12 ARG B 20 3.908 -14.029 13.757 1.00 0.00 H ATOM 1463 HH11 ARG B 20 5.122 -15.075 14.579 1.00 0.00 H ATOM 1464 HH22 ARG B 20 3.513 -11.905 14.524 1.00 0.00 H ATOM 1465 HH21 ARG B 20 4.417 -11.278 15.950 1.00 0.00 H ATOM 1466 H ARG B 20 5.596 -14.563 21.712 1.00 0.00 H ATOM 1467 N ILE B 21 9.428 -14.725 20.671 1.00 10.62 N ATOM 1468 CA ILE B 21 10.560 -13.937 21.125 1.00 13.34 C ATOM 1469 C ILE B 21 11.537 -13.750 19.984 1.00 13.29 C ATOM 1470 O ILE B 21 12.075 -14.726 19.443 1.00 12.41 O ATOM 1471 CB ILE B 21 11.259 -14.603 22.318 1.00 12.12 C ATOM 1472 CG1 ILE B 21 10.236 -14.895 23.416 1.00 16.70 C ATOM 1473 CG2 ILE B 21 12.391 -13.729 22.837 1.00 16.07 C ATOM 1474 CD1 ILE B 21 10.829 -15.476 24.660 1.00 15.23 C ATOM 1475 H ILE B 21 9.590 -15.686 20.308 1.00 0.00 H ATOM 1476 N ARG B 22 11.733 -12.494 19.600 1.00 11.07 N ATOM 1477 CA ARG B 22 12.689 -12.143 18.562 1.00 13.20 C ATOM 1478 C ARG B 22 13.868 -11.419 19.185 1.00 16.41 C ATOM 1479 O ARG B 22 13.702 -10.573 20.063 1.00 14.56 O ATOM 1480 CB ARG B 22 12.049 -11.262 17.492 1.00 15.60 C ATOM 1481 CG ARG B 22 11.034 -11.955 16.611 1.00 16.05 C ATOM 1482 CD ARG B 22 10.306 -10.921 15.761 1.00 20.18 C ATOM 1483 NE ARG B 22 9.304 -11.524 14.889 1.00 25.61 N ATOM 1484 CZ ARG B 22 8.424 -10.831 14.171 1.00 26.17 C ATOM 1485 NH1 ARG B 22 8.414 -9.505 14.223 1.00 27.92 N ATOM 1486 NH2 ARG B 22 7.551 -11.462 13.406 1.00 27.81 N ATOM 1487 HE ARG B 22 9.276 -12.562 14.824 1.00 0.00 H ATOM 1488 HH12 ARG B 22 7.724 -8.968 13.660 1.00 0.00 H ATOM 1489 HH11 ARG B 22 9.096 -9.003 14.827 1.00 0.00 H ATOM 1490 HH22 ARG B 22 6.863 -10.920 12.845 1.00 0.00 H ATOM 1491 HH21 ARG B 22 7.551 -12.501 13.365 1.00 0.00 H ATOM 1492 H ARG B 22 11.185 -11.737 20.056 1.00 0.00 H ATOM 1493 N GLY B 23 15.066 -11.749 18.728 1.00 17.26 N ATOM 1494 CA GLY B 23 16.242 -11.139 19.298 1.00 17.59 C ATOM 1495 C GLY B 23 17.508 -11.434 18.534 1.00 18.77 C ATOM 1496 O GLY B 23 17.487 -12.086 17.490 1.00 17.23 O ATOM 1497 H GLY B 23 15.159 -12.445 17.961 1.00 0.00 H ATOM 1498 N LEU B 24 18.611 -10.945 19.085 1.00 18.22 N ATOM 1499 CA LEU B 24 19.930 -11.082 18.492 1.00 21.47 C ATOM 1500 C LEU B 24 20.883 -11.640 19.540 1.00 18.26 C ATOM 1501 O LEU B 24 20.893 -11.177 20.678 1.00 19.75 O ATOM 1502 CB LEU B 24 20.426 -9.727 17.981 1.00 21.80 C ATOM 1503 CG LEU B 24 21.800 -9.654 17.312 1.00 24.99 C ATOM 1504 CD1 LEU B 24 21.757 -10.267 15.927 1.00 22.18 C ATOM 1505 CD2 LEU B 24 22.268 -8.214 17.243 1.00 29.59 C ATOM 1506 H LEU B 24 18.527 -10.437 19.989 1.00 0.00 H ATOM 1507 N VAL B 25 21.668 -12.645 19.168 1.00 18.00 N ATOM 1508 CA VAL B 25 22.694 -13.153 20.066 1.00 18.31 C ATOM 1509 C VAL B 25 23.958 -12.313 19.898 1.00 21.03 C ATOM 1510 O VAL B 25 24.499 -12.223 18.800 1.00 19.94 O ATOM 1511 CB VAL B 25 23.005 -14.634 19.799 1.00 18.48 C ATOM 1512 CG1 VAL B 25 24.182 -15.081 20.631 1.00 21.55 C ATOM 1513 CG2 VAL B 25 21.789 -15.504 20.096 1.00 17.71 C ATOM 1514 H VAL B 25 21.548 -13.072 18.227 1.00 0.00 H ATOM 1515 N PRO B 26 24.407 -11.659 20.980 1.00 20.41 N ATOM 1516 CA PRO B 26 25.619 -10.831 20.941 1.00 25.31 C ATOM 1517 C PRO B 26 26.847 -11.622 20.496 1.00 22.52 C ATOM 1518 O PRO B 26 26.953 -12.800 20.824 1.00 21.18 O ATOM 1519 CB PRO B 26 25.767 -10.364 22.390 1.00 25.48 C ATOM 1520 CG PRO B 26 24.372 -10.361 22.915 1.00 29.15 C ATOM 1521 CD PRO B 26 23.700 -11.541 22.266 1.00 22.58 C ATOM 1522 N PRO B 27 27.762 -10.980 19.753 1.00 27.49 N ATOM 1523 CA PRO B 27 28.982 -11.628 19.256 1.00 25.41 C ATOM 1524 C PRO B 27 29.779 -12.368 20.334 1.00 29.21 C ATOM 1525 O PRO B 27 30.451 -13.350 20.023 1.00 27.37 O ATOM 1526 CB PRO B 27 29.792 -10.455 18.702 1.00 29.27 C ATOM 1527 CG PRO B 27 28.757 -9.481 18.256 1.00 30.67 C ATOM 1528 CD PRO B 27 27.636 -9.594 19.262 1.00 26.66 C ATOM 1529 N ASN B 28 29.695 -11.903 21.577 1.00 29.93 N ATOM 1530 CA ASN B 28 30.483 -12.463 22.670 1.00 31.53 C ATOM 1531 C ASN B 28 29.655 -13.254 23.679 1.00 31.47 C ATOM 1532 O ASN B 28 30.132 -13.559 24.773 1.00 34.43 O ATOM 1533 CB ASN B 28 31.227 -11.341 23.403 1.00 33.13 C ATOM 1534 CG ASN B 28 30.281 -10.338 24.051 1.00 36.43 C ATOM 1535 OD1 ASN B 28 29.094 -10.284 23.721 1.00 34.20 O ATOM 1536 ND2 ASN B 28 30.805 -9.537 24.975 1.00 31.79 N ATOM 1537 HD22 ASN B 28 31.812 -9.617 25.222 1.00 0.00 H ATOM 1538 HD21 ASN B 28 30.208 -8.830 25.450 1.00 0.00 H ATOM 1539 H ASN B 28 29.047 -11.115 21.777 1.00 0.00 H ATOM 1540 N ALA B 29 28.420 -13.582 23.308 1.00 27.71 N ATOM 1541 CA ALA B 29 27.470 -14.202 24.229 1.00 27.81 C ATOM 1542 C ALA B 29 27.959 -15.514 24.830 1.00 26.02 C ATOM 1543 O ALA B 29 28.523 -16.355 24.131 1.00 24.50 O ATOM 1544 CB ALA B 29 26.141 -14.433 23.524 1.00 25.57 C ATOM 1545 H ALA B 29 28.121 -13.391 22.330 1.00 0.00 H ATOM 1546 N SER B 30 27.727 -15.685 26.127 1.00 23.89 N ATOM 1547 CA SER B 30 28.001 -16.952 26.786 1.00 27.50 C ATOM 1548 C SER B 30 26.735 -17.797 26.784 1.00 27.48 C ATOM 1549 O SER B 30 26.704 -18.894 26.222 1.00 28.61 O ATOM 1550 CB SER B 30 28.503 -16.718 28.213 1.00 29.78 C ATOM 1551 OG SER B 30 29.772 -16.089 28.189 1.00 34.36 O ATOM 1552 HG SER B 30 29.699 -15.218 27.724 1.00 0.00 H ATOM 1553 H SER B 30 27.341 -14.895 26.683 1.00 0.00 H ATOM 1554 N ARG B 31 25.695 -17.267 27.420 1.00 22.40 N ATOM 1555 CA ARG B 31 24.417 -17.948 27.564 1.00 25.61 C ATOM 1556 C ARG B 31 23.283 -16.932 27.663 1.00 23.09 C ATOM 1557 O ARG B 31 23.507 -15.774 28.009 1.00 21.90 O ATOM 1558 CB ARG B 31 24.412 -18.837 28.812 1.00 24.27 C ATOM 1559 CG ARG B 31 25.392 -19.994 28.771 1.00 30.41 C ATOM 1560 CD ARG B 31 25.659 -20.596 30.142 1.00 34.28 C ATOM 1561 NE ARG B 31 26.752 -21.562 30.056 1.00 38.63 N ATOM 1562 CZ ARG B 31 27.131 -22.367 31.041 1.00 37.92 C ATOM 1563 NH1 ARG B 31 26.505 -22.335 32.211 1.00 38.23 N ATOM 1564 NH2 ARG B 31 28.138 -23.209 30.851 1.00 38.68 N ATOM 1565 HE ARG B 31 27.271 -21.623 29.157 1.00 0.00 H ATOM 1566 HH12 ARG B 31 26.806 -22.968 32.979 1.00 0.00 H ATOM 1567 HH11 ARG B 31 25.713 -21.677 32.359 1.00 0.00 H ATOM 1568 HH22 ARG B 31 28.439 -23.842 31.620 1.00 0.00 H ATOM 1569 HH21 ARG B 31 28.627 -23.236 29.933 1.00 0.00 H ATOM 1570 H ARG B 31 25.800 -16.319 27.835 1.00 0.00 H ATOM 1571 N PHE B 32 22.064 -17.360 27.364 1.00 19.39 N ATOM 1572 CA PHE B 32 20.908 -16.544 27.702 1.00 17.94 C ATOM 1573 C PHE B 32 19.757 -17.479 28.015 1.00 18.73 C ATOM 1574 O PHE B 32 19.846 -18.685 27.792 1.00 17.27 O ATOM 1575 CB PHE B 32 20.564 -15.548 26.581 1.00 19.53 C ATOM 1576 CG PHE B 32 19.951 -16.175 25.358 1.00 18.05 C ATOM 1577 CD1 PHE B 32 20.749 -16.651 24.333 1.00 17.86 C ATOM 1578 CD2 PHE B 32 18.574 -16.262 25.223 1.00 20.45 C ATOM 1579 CE1 PHE B 32 20.184 -17.221 23.201 1.00 17.84 C ATOM 1580 CE2 PHE B 32 18.005 -16.831 24.096 1.00 17.57 C ATOM 1581 CZ PHE B 32 18.810 -17.308 23.086 1.00 16.49 C ATOM 1582 H PHE B 32 21.935 -18.276 26.889 1.00 0.00 H ATOM 1583 N HIS B 33 18.682 -16.944 28.568 1.00 18.69 N ATOM 1584 CA HIS B 33 17.603 -17.820 28.976 1.00 17.26 C ATOM 1585 C HIS B 33 16.244 -17.165 28.839 1.00 17.02 C ATOM 1586 O HIS B 33 16.109 -15.942 28.855 1.00 17.06 O ATOM 1587 CB HIS B 33 17.810 -18.291 30.419 1.00 19.22 C ATOM 1588 CG HIS B 33 17.961 -17.175 31.400 1.00 21.80 C ATOM 1589 ND1 HIS B 33 19.191 -16.677 31.781 1.00 23.71 N ATOM 1590 CD2 HIS B 33 17.039 -16.449 32.076 1.00 23.94 C ATOM 1591 CE1 HIS B 33 19.018 -15.700 32.651 1.00 26.50 C ATOM 1592 NE2 HIS B 33 17.719 -15.537 32.844 1.00 23.20 N ATOM 1593 H HIS B 33 18.612 -15.916 28.707 1.00 0.00 H ATOM 1594 N VAL B 34 15.246 -18.019 28.676 1.00 13.80 N ATOM 1595 CA VAL B 34 13.857 -17.625 28.689 1.00 16.55 C ATOM 1596 C VAL B 34 13.214 -18.406 29.817 1.00 15.53 C ATOM 1597 O VAL B 34 13.283 -19.627 29.828 1.00 16.20 O ATOM 1598 CB VAL B 34 13.151 -17.936 27.357 1.00 13.64 C ATOM 1599 CG1 VAL B 34 11.673 -17.599 27.453 1.00 15.10 C ATOM 1600 CG2 VAL B 34 13.815 -17.181 26.207 1.00 14.30 C ATOM 1601 H VAL B 34 15.474 -19.023 28.531 1.00 0.00 H ATOM 1602 N ASN B 35 12.628 -17.704 30.779 1.00 16.09 N ATOM 1603 CA ASN B 35 11.944 -18.352 31.889 1.00 15.88 C ATOM 1604 C ASN B 35 10.447 -18.101 31.879 1.00 17.10 C ATOM 1605 O ASN B 35 9.993 -17.003 31.553 1.00 15.38 O ATOM 1606 CB ASN B 35 12.505 -17.873 33.232 1.00 17.13 C ATOM 1607 CG ASN B 35 13.940 -18.282 33.449 1.00 18.12 C ATOM 1608 OD1 ASN B 35 14.415 -19.265 32.881 1.00 20.17 O ATOM 1609 ND2 ASN B 35 14.646 -17.524 34.278 1.00 19.37 N ATOM 1610 HD22 ASN B 35 14.203 -16.702 34.736 1.00 0.00 H ATOM 1611 HD21 ASN B 35 15.643 -17.752 34.470 1.00 0.00 H ATOM 1612 H ASN B 35 12.658 -16.665 30.739 1.00 0.00 H ATOM 1613 N LEU B 36 9.684 -19.127 32.239 1.00 14.33 N ATOM 1614 CA LEU B 36 8.284 -18.952 32.582 1.00 14.26 C ATOM 1615 C LEU B 36 8.158 -19.081 34.095 1.00 20.74 C ATOM 1616 O LEU B 36 8.361 -20.164 34.645 1.00 17.27 O ATOM 1617 CB LEU B 36 7.408 -19.976 31.864 1.00 13.54 C ATOM 1618 CG LEU B 36 7.379 -19.788 30.347 1.00 14.07 C ATOM 1619 CD1 LEU B 36 6.391 -20.741 29.680 1.00 12.95 C ATOM 1620 CD2 LEU B 36 7.044 -18.338 30.043 1.00 11.36 C ATOM 1621 H LEU B 36 10.100 -20.080 32.276 1.00 0.00 H ATOM 1622 N LEU B 37 7.836 -17.970 34.756 1.00 17.86 N ATOM 1623 CA LEU B 37 7.853 -17.896 36.214 1.00 18.56 C ATOM 1624 C LEU B 37 6.453 -17.871 36.811 1.00 18.38 C ATOM 1625 O LEU B 37 5.490 -17.505 36.142 1.00 18.03 O ATOM 1626 CB LEU B 37 8.624 -16.658 36.671 1.00 17.60 C ATOM 1627 CG LEU B 37 10.085 -16.582 36.230 1.00 20.17 C ATOM 1628 CD1 LEU B 37 10.756 -15.356 36.833 1.00 21.62 C ATOM 1629 CD2 LEU B 37 10.827 -17.858 36.607 1.00 17.47 C ATOM 1630 H LEU B 37 7.563 -17.125 34.214 1.00 0.00 H ATOM 1631 N CYS B 38 6.354 -18.249 38.082 1.00 18.09 N ATOM 1632 CA CYS B 38 5.063 -18.409 38.731 1.00 21.49 C ATOM 1633 C CYS B 38 4.736 -17.260 39.672 1.00 26.31 C ATOM 1634 O CYS B 38 3.743 -17.310 40.396 1.00 26.49 O ATOM 1635 CB CYS B 38 5.017 -19.732 39.495 1.00 23.45 C ATOM 1636 SG CYS B 38 5.163 -21.179 38.433 1.00 24.04 S ATOM 1637 H CYS B 38 7.221 -18.435 38.625 1.00 0.00 H ATOM 1638 N GLY B 39 5.571 -16.227 39.653 1.00 24.57 N ATOM 1639 CA GLY B 39 5.351 -15.055 40.477 1.00 25.52 C ATOM 1640 C GLY B 39 6.378 -13.980 40.190 1.00 31.71 C ATOM 1641 O GLY B 39 7.420 -14.258 39.594 1.00 26.41 O ATOM 1642 H GLY B 39 6.404 -16.260 39.031 1.00 0.00 H ATOM 1643 N GLU B 40 6.088 -12.756 40.627 1.00 29.28 N ATOM 1644 CA GLU B 40 6.931 -11.604 40.324 1.00 33.26 C ATOM 1645 C GLU B 40 8.085 -11.455 41.303 1.00 34.09 C ATOM 1646 O GLU B 40 9.035 -10.716 41.052 1.00 36.48 O ATOM 1647 CB GLU B 40 6.098 -10.320 40.320 1.00 34.62 C ATOM 1648 CG GLU B 40 5.096 -10.239 39.188 1.00 33.90 C ATOM 1649 CD GLU B 40 4.519 -8.852 39.023 1.00 38.49 C ATOM 1650 OE1 GLU B 40 5.109 -7.894 39.564 1.00 39.43 O ATOM 1651 OE2 GLU B 40 3.476 -8.717 38.349 1.00 44.67 O ATOM 1652 H GLU B 40 5.233 -12.617 41.203 1.00 0.00 H ATOM 1653 N GLU B 41 7.994 -12.150 42.426 1.00 34.32 N ATOM 1654 CA GLU B 41 9.026 -12.058 43.447 1.00 37.63 C ATOM 1655 C GLU B 41 10.271 -12.819 43.028 1.00 37.66 C ATOM 1656 O GLU B 41 10.190 -13.803 42.295 1.00 32.60 O ATOM 1657 CB GLU B 41 8.496 -12.580 44.779 1.00 37.47 C ATOM 1658 CG GLU B 41 7.408 -11.693 45.365 1.00 41.92 C ATOM 1659 CD GLU B 41 6.824 -12.239 46.654 1.00 44.54 C ATOM 1660 OE1 GLU B 41 6.801 -13.478 46.824 1.00 45.80 O ATOM 1661 OE2 GLU B 41 6.396 -11.426 47.503 1.00 42.44 O ATOM 1662 H GLU B 41 7.174 -12.770 42.580 1.00 0.00 H ATOM 1663 N GLN B 42 11.425 -12.348 43.490 1.00 41.05 N ATOM 1664 CA GLN B 42 12.695 -12.992 43.185 1.00 38.93 C ATOM 1665 C GLN B 42 12.741 -14.399 43.752 1.00 40.31 C ATOM 1666 O GLN B 42 12.348 -14.626 44.895 1.00 38.90 O ATOM 1667 CB GLN B 42 13.860 -12.175 43.741 1.00 41.91 C ATOM 1668 CG GLN B 42 15.221 -12.452 43.100 1.00 42.59 C ATOM 1669 CD GLN B 42 15.141 -12.763 41.615 1.00 49.47 C ATOM 1670 OE1 GLN B 42 14.883 -13.901 41.217 1.00 54.56 O ATOM 1671 NE2 GLN B 42 15.367 -11.748 40.787 1.00 50.21 N ATOM 1672 HE22 GLN B 42 15.581 -10.804 41.168 1.00 0.00 H ATOM 1673 HE21 GLN B 42 15.330 -11.898 39.759 1.00 0.00 H ATOM 1674 H GLN B 42 11.421 -11.496 44.086 1.00 0.00 H ATOM 1675 N GLY B 43 13.222 -15.340 42.948 1.00 36.94 N ATOM 1676 CA GLY B 43 13.327 -16.721 43.378 1.00 36.94 C ATOM 1677 C GLY B 43 12.056 -17.529 43.176 1.00 35.08 C ATOM 1678 O GLY B 43 11.952 -18.656 43.659 1.00 33.19 O ATOM 1679 H GLY B 43 13.530 -15.081 41.989 1.00 0.00 H ATOM 1680 N SER B 44 11.088 -16.958 42.463 1.00 34.03 N ATOM 1681 CA SER B 44 9.831 -17.651 42.192 1.00 28.96 C ATOM 1682 C SER B 44 10.074 -18.904 41.361 1.00 25.97 C ATOM 1683 O SER B 44 11.054 -18.983 40.621 1.00 24.19 O ATOM 1684 CB SER B 44 8.847 -16.729 41.473 1.00 28.00 C ATOM 1685 OG SER B 44 8.572 -15.579 42.253 1.00 36.39 O ATOM 1686 HG SER B 44 9.413 -15.083 42.416 1.00 0.00 H ATOM 1687 H SER B 44 11.230 -15.997 42.091 1.00 0.00 H ATOM 1688 N ASP B 45 9.182 -19.881 41.494 1.00 25.62 N ATOM 1689 CA ASP B 45 9.321 -21.144 40.781 1.00 23.17 C ATOM 1690 C ASP B 45 9.250 -20.929 39.274 1.00 23.72 C ATOM 1691 O ASP B 45 8.481 -20.095 38.798 1.00 20.18 O ATOM 1692 CB ASP B 45 8.242 -22.134 41.210 1.00 25.79 C ATOM 1693 CG ASP B 45 8.324 -22.485 42.683 1.00 31.04 C ATOM 1694 OD1 ASP B 45 9.427 -22.381 43.266 1.00 29.76 O ATOM 1695 OD2 ASP B 45 7.282 -22.868 43.251 1.00 30.88 O ATOM 1696 H ASP B 45 8.365 -19.740 42.122 1.00 0.00 H ATOM 1697 N ALA B 46 10.066 -21.679 38.538 1.00 21.78 N ATOM 1698 CA ALA B 46 10.079 -21.610 37.083 1.00 19.16 C ATOM 1699 C ALA B 46 9.447 -22.865 36.495 1.00 18.58 C ATOM 1700 O ALA B 46 9.988 -23.963 36.621 1.00 19.26 O ATOM 1701 CB ALA B 46 11.506 -21.431 36.565 1.00 18.25 C ATOM 1702 H ALA B 46 10.715 -22.335 39.017 1.00 0.00 H ATOM 1703 N ALA B 47 8.284 -22.708 35.877 1.00 17.64 N ATOM 1704 CA ALA B 47 7.650 -23.823 35.187 1.00 17.74 C ATOM 1705 C ALA B 47 8.505 -24.254 33.999 1.00 17.94 C ATOM 1706 O ALA B 47 8.512 -25.425 33.619 1.00 18.45 O ATOM 1707 CB ALA B 47 6.261 -23.446 34.731 1.00 18.87 C ATOM 1708 H ALA B 47 7.819 -21.778 35.885 1.00 0.00 H ATOM 1709 N LEU B 48 9.220 -23.301 33.410 1.00 16.24 N ATOM 1710 CA LEU B 48 10.086 -23.595 32.274 1.00 14.80 C ATOM 1711 C LEU B 48 11.311 -22.698 32.264 1.00 15.66 C ATOM 1712 O LEU B 48 11.204 -21.488 32.449 1.00 15.12 O ATOM 1713 CB LEU B 48 9.324 -23.442 30.953 1.00 17.77 C ATOM 1714 CG LEU B 48 10.182 -23.419 29.682 1.00 15.95 C ATOM 1715 CD1 LEU B 48 10.888 -24.751 29.462 1.00 15.93 C ATOM 1716 CD2 LEU B 48 9.330 -23.054 28.468 1.00 14.43 C ATOM 1717 H LEU B 48 9.161 -22.326 33.766 1.00 0.00 H ATOM 1718 N HIS B 49 12.471 -23.313 32.051 1.00 15.48 N ATOM 1719 CA HIS B 49 13.739 -22.612 31.912 1.00 17.09 C ATOM 1720 C HIS B 49 14.404 -23.100 30.625 1.00 18.79 C ATOM 1721 O HIS B 49 14.786 -24.266 30.522 1.00 19.19 O ATOM 1722 CB HIS B 49 14.623 -22.859 33.142 1.00 19.34 C ATOM 1723 CG HIS B 49 15.995 -22.266 33.047 1.00 16.62 C ATOM 1724 ND1 HIS B 49 16.241 -20.922 33.229 1.00 19.75 N ATOM 1725 CD2 HIS B 49 17.199 -22.842 32.822 1.00 18.41 C ATOM 1726 CE1 HIS B 49 17.537 -20.693 33.106 1.00 18.95 C ATOM 1727 NE2 HIS B 49 18.142 -21.842 32.863 1.00 23.48 N ATOM 1728 H HIS B 49 12.472 -24.351 31.980 1.00 0.00 H ATOM 1729 N PHE B 50 14.498 -22.208 29.640 1.00 14.74 N ATOM 1730 CA PHE B 50 15.034 -22.520 28.313 1.00 17.67 C ATOM 1731 C PHE B 50 16.369 -21.813 28.143 1.00 16.70 C ATOM 1732 O PHE B 50 16.423 -20.594 28.036 1.00 15.87 O ATOM 1733 CB PHE B 50 14.032 -22.096 27.225 1.00 17.79 C ATOM 1734 CG PHE B 50 14.570 -22.167 25.819 1.00 16.07 C ATOM 1735 CD1 PHE B 50 15.107 -23.334 25.319 1.00 16.32 C ATOM 1736 CD2 PHE B 50 14.508 -21.060 24.987 1.00 21.30 C ATOM 1737 CE1 PHE B 50 15.585 -23.397 24.016 1.00 19.22 C ATOM 1738 CE2 PHE B 50 14.987 -21.115 23.689 1.00 21.95 C ATOM 1739 CZ PHE B 50 15.521 -22.285 23.202 1.00 16.06 C ATOM 1740 H PHE B 50 14.173 -21.237 29.823 1.00 0.00 H ATOM 1741 N ASN B 51 17.450 -22.584 28.119 1.00 16.62 N ATOM 1742 CA ASN B 51 18.775 -22.017 28.316 1.00 17.43 C ATOM 1743 C ASN B 51 19.787 -22.438 27.250 1.00 19.37 C ATOM 1744 O ASN B 51 20.498 -23.428 27.422 1.00 22.66 O ATOM 1745 CB ASN B 51 19.267 -22.409 29.717 1.00 19.69 C ATOM 1746 CG ASN B 51 20.592 -21.778 30.089 1.00 20.42 C ATOM 1747 OD1 ASN B 51 21.311 -22.303 30.939 1.00 23.01 O ATOM 1748 ND2 ASN B 51 20.916 -20.644 29.479 1.00 20.66 N ATOM 1749 HD22 ASN B 51 20.278 -20.236 28.766 1.00 0.00 H ATOM 1750 HD21 ASN B 51 21.808 -20.164 29.714 1.00 0.00 H ATOM 1751 H ASN B 51 17.348 -23.606 27.957 1.00 0.00 H ATOM 1752 N PRO B 52 19.842 -21.689 26.133 1.00 18.09 N ATOM 1753 CA PRO B 52 20.892 -21.870 25.127 1.00 19.75 C ATOM 1754 C PRO B 52 22.256 -21.481 25.680 1.00 20.81 C ATOM 1755 O PRO B 52 22.416 -20.387 26.218 1.00 19.30 O ATOM 1756 CB PRO B 52 20.469 -20.928 23.992 1.00 19.99 C ATOM 1757 CG PRO B 52 19.018 -20.692 24.213 1.00 18.90 C ATOM 1758 CD PRO B 52 18.820 -20.725 25.689 1.00 18.60 C ATOM 1759 N ARG B 53 23.224 -22.381 25.557 1.00 24.21 N ATOM 1760 CA ARG B 53 24.567 -22.126 26.052 1.00 26.91 C ATOM 1761 C ARG B 53 25.550 -22.140 24.890 1.00 24.45 C ATOM 1762 O ARG B 53 25.917 -23.197 24.384 1.00 24.96 O ATOM 1763 CB ARG B 53 24.953 -23.158 27.120 1.00 26.38 C ATOM 1764 CG ARG B 53 23.954 -23.222 28.278 1.00 28.19 C ATOM 1765 CD ARG B 53 24.425 -24.093 29.444 1.00 24.96 C ATOM 1766 NE ARG B 53 23.422 -24.110 30.507 1.00 25.36 N ATOM 1767 CZ ARG B 53 23.514 -24.815 31.632 1.00 26.99 C ATOM 1768 NH1 ARG B 53 24.572 -25.580 31.863 1.00 28.06 N ATOM 1769 NH2 ARG B 53 22.537 -24.758 32.527 1.00 23.59 N ATOM 1770 HE ARG B 53 22.571 -23.527 30.374 1.00 0.00 H ATOM 1771 HH12 ARG B 53 24.635 -26.127 32.745 1.00 0.00 H ATOM 1772 HH11 ARG B 53 25.339 -25.633 31.162 1.00 0.00 H ATOM 1773 HH22 ARG B 53 22.605 -25.308 33.407 1.00 0.00 H ATOM 1774 HH21 ARG B 53 21.702 -24.164 32.349 1.00 0.00 H ATOM 1775 H ARG B 53 23.017 -23.290 25.096 1.00 0.00 H ATOM 1776 N LEU B 54 25.962 -20.955 24.463 1.00 22.53 N ATOM 1777 CA LEU B 54 26.807 -20.829 23.289 1.00 23.19 C ATOM 1778 C LEU B 54 28.266 -21.151 23.585 1.00 31.06 C ATOM 1779 O LEU B 54 28.992 -21.619 22.707 1.00 28.60 O ATOM 1780 CB LEU B 54 26.685 -19.424 22.716 1.00 25.29 C ATOM 1781 CG LEU B 54 25.241 -19.124 22.320 1.00 27.65 C ATOM 1782 CD1 LEU B 54 24.846 -17.756 22.810 1.00 27.79 C ATOM 1783 CD2 LEU B 54 25.058 -19.245 20.818 1.00 24.02 C ATOM 1784 H LEU B 54 25.675 -20.099 24.979 1.00 0.00 H ATOM 1785 N ASP B 55 28.695 -20.910 24.822 1.00 32.99 N ATOM 1786 CA ASP B 55 30.094 -21.130 25.172 1.00 33.95 C ATOM 1787 C ASP B 55 30.420 -22.622 25.273 1.00 34.71 C ATOM 1788 O ASP B 55 31.568 -23.018 25.077 1.00 39.68 O ATOM 1789 CB ASP B 55 30.459 -20.395 26.473 1.00 33.54 C ATOM 1790 CG ASP B 55 29.620 -20.830 27.665 1.00 35.02 C ATOM 1791 OD1 ASP B 55 28.503 -21.349 27.471 1.00 32.47 O ATOM 1792 OD2 ASP B 55 30.084 -20.632 28.809 1.00 39.91 O ATOM 1793 H ASP B 55 28.030 -20.563 25.542 1.00 0.00 H ATOM 1794 N THR B 56 29.414 -23.450 25.546 1.00 30.28 N ATOM 1795 CA THR B 56 29.620 -24.898 25.581 1.00 32.25 C ATOM 1796 C THR B 56 28.778 -25.650 24.543 1.00 35.86 C ATOM 1797 O THR B 56 28.672 -26.877 24.599 1.00 30.91 O ATOM 1798 CB THR B 56 29.317 -25.480 26.983 1.00 33.31 C ATOM 1799 OG1 THR B 56 28.010 -25.073 27.411 1.00 33.13 O ATOM 1800 CG2 THR B 56 30.348 -24.998 27.994 1.00 34.04 C ATOM 1801 HG1 THR B 56 27.825 -25.450 28.308 1.00 0.00 H ATOM 1802 H THR B 56 28.468 -23.062 25.737 1.00 0.00 H ATOM 1803 N SER B 57 28.191 -24.908 23.603 1.00 32.90 N ATOM 1804 CA SER B 57 27.419 -25.481 22.493 1.00 28.95 C ATOM 1805 C SER B 57 26.384 -26.517 22.924 1.00 31.14 C ATOM 1806 O SER B 57 26.403 -27.661 22.462 1.00 29.89 O ATOM 1807 CB SER B 57 28.361 -26.108 21.461 1.00 33.09 C ATOM 1808 OG SER B 57 29.176 -25.123 20.852 1.00 37.57 O ATOM 1809 HG SER B 57 29.774 -25.554 20.191 1.00 0.00 H ATOM 1810 H SER B 57 28.285 -23.874 23.659 1.00 0.00 H ATOM 1811 N GLU B 58 25.477 -26.111 23.805 1.00 27.87 N ATOM 1812 CA GLU B 58 24.415 -26.993 24.267 1.00 28.28 C ATOM 1813 C GLU B 58 23.156 -26.195 24.581 1.00 25.26 C ATOM 1814 O GLU B 58 23.177 -24.966 24.583 1.00 23.89 O ATOM 1815 CB GLU B 58 24.868 -27.772 25.505 1.00 30.45 C ATOM 1816 CG GLU B 58 25.278 -26.880 26.669 1.00 31.15 C ATOM 1817 CD GLU B 58 26.052 -27.630 27.736 1.00 35.35 C ATOM 1818 OE1 GLU B 58 26.016 -28.878 27.730 1.00 39.06 O ATOM 1819 OE2 GLU B 58 26.699 -26.969 28.579 1.00 38.35 O ATOM 1820 H GLU B 58 25.527 -25.140 24.174 1.00 0.00 H ATOM 1821 N VAL B 59 22.060 -26.898 24.831 1.00 24.79 N ATOM 1822 CA VAL B 59 20.848 -26.264 25.335 1.00 21.54 C ATOM 1823 C VAL B 59 20.391 -27.032 26.566 1.00 23.11 C ATOM 1824 O VAL B 59 20.393 -28.264 26.570 1.00 26.15 O ATOM 1825 CB VAL B 59 19.714 -26.227 24.274 1.00 25.43 C ATOM 1826 CG1 VAL B 59 18.450 -25.599 24.858 1.00 18.77 C ATOM 1827 CG2 VAL B 59 20.159 -25.458 23.038 1.00 21.64 C ATOM 1828 H VAL B 59 22.065 -27.924 24.664 1.00 0.00 H ATOM 1829 N VAL B 60 20.034 -26.307 27.622 1.00 18.64 N ATOM 1830 CA VAL B 60 19.491 -26.936 28.811 1.00 20.81 C ATOM 1831 C VAL B 60 18.047 -26.501 29.029 1.00 18.68 C ATOM 1832 O VAL B 60 17.725 -25.316 28.941 1.00 17.42 O ATOM 1833 CB VAL B 60 20.332 -26.603 30.064 1.00 21.24 C ATOM 1834 CG1 VAL B 60 19.587 -26.991 31.343 1.00 18.09 C ATOM 1835 CG2 VAL B 60 21.685 -27.297 29.986 1.00 23.85 C ATOM 1836 H VAL B 60 20.146 -25.273 27.595 1.00 0.00 H ATOM 1837 N PHE B 61 17.183 -27.480 29.275 1.00 16.57 N ATOM 1838 CA PHE B 61 15.822 -27.237 29.725 1.00 16.67 C ATOM 1839 C PHE B 61 15.712 -27.685 31.177 1.00 19.69 C ATOM 1840 O PHE B 61 16.256 -28.725 31.545 1.00 21.25 O ATOM 1841 CB PHE B 61 14.805 -28.002 28.880 1.00 18.45 C ATOM 1842 CG PHE B 61 14.614 -27.458 27.494 1.00 17.72 C ATOM 1843 CD1 PHE B 61 15.465 -27.827 26.466 1.00 15.87 C ATOM 1844 CD2 PHE B 61 13.552 -26.617 27.209 1.00 17.38 C ATOM 1845 CE1 PHE B 61 15.279 -27.343 25.185 1.00 15.56 C ATOM 1846 CE2 PHE B 61 13.360 -26.130 25.925 1.00 16.50 C ATOM 1847 CZ PHE B 61 14.226 -26.501 24.914 1.00 16.42 C ATOM 1848 H PHE B 61 17.494 -28.463 29.140 1.00 0.00 H ATOM 1849 N ASN B 62 15.009 -26.919 32.000 1.00 19.51 N ATOM 1850 CA ASN B 62 14.790 -27.331 33.385 1.00 21.63 C ATOM 1851 C ASN B 62 13.640 -26.566 34.016 1.00 22.62 C ATOM 1852 O ASN B 62 13.086 -25.644 33.416 1.00 20.19 O ATOM 1853 CB ASN B 62 16.065 -27.138 34.218 1.00 20.32 C ATOM 1854 CG ASN B 62 16.190 -28.153 35.355 1.00 24.44 C ATOM 1855 OD1 ASN B 62 15.210 -28.782 35.763 1.00 22.22 O ATOM 1856 ND2 ASN B 62 17.402 -28.312 35.868 1.00 22.58 N ATOM 1857 HD22 ASN B 62 18.201 -27.761 35.494 1.00 0.00 H ATOM 1858 HD21 ASN B 62 17.554 -28.987 36.644 1.00 0.00 H ATOM 1859 H ASN B 62 14.612 -26.021 31.658 1.00 0.00 H ATOM 1860 N SER B 63 13.276 -26.970 35.227 1.00 20.65 N ATOM 1861 CA SER B 63 12.303 -26.241 36.021 1.00 19.36 C ATOM 1862 C SER B 63 12.913 -25.983 37.386 1.00 26.19 C ATOM 1863 O SER B 63 13.860 -26.663 37.782 1.00 26.82 O ATOM 1864 CB SER B 63 10.995 -27.022 36.149 1.00 26.10 C ATOM 1865 OG SER B 63 11.187 -28.210 36.896 1.00 27.41 O ATOM 1866 HG SER B 63 11.511 -27.980 37.803 1.00 0.00 H ATOM 1867 H SER B 63 13.701 -27.835 35.619 1.00 0.00 H ATOM 1868 N LYS B 64 12.387 -24.989 38.091 1.00 20.19 N ATOM 1869 CA LYS B 64 12.841 -24.681 39.437 1.00 27.02 C ATOM 1870 C LYS B 64 11.658 -24.661 40.393 1.00 30.28 C ATOM 1871 O LYS B 64 10.654 -23.995 40.145 1.00 24.21 O ATOM 1872 CB LYS B 64 13.575 -23.338 39.468 1.00 27.81 C ATOM 1873 CG LYS B 64 14.140 -22.964 40.834 1.00 29.84 C ATOM 1874 CD LYS B 64 15.037 -21.737 40.753 1.00 32.73 C ATOM 1875 CE LYS B 64 14.233 -20.477 40.468 1.00 32.98 C ATOM 1876 NZ LYS B 64 15.068 -19.247 40.557 1.00 40.78 N ATOM 1877 HZ1 LYS B 64 15.466 -19.168 41.515 1.00 0.00 H ATOM 1878 HZ2 LYS B 64 15.840 -19.303 39.863 1.00 0.00 H ATOM 1879 HZ3 LYS B 64 14.479 -18.414 40.355 1.00 0.00 H ATOM 1880 H LYS B 64 11.629 -24.415 37.669 1.00 0.00 H ATOM 1881 N GLU B 65 11.770 -25.401 41.487 1.00 32.96 N ATOM 1882 CA GLU B 65 10.720 -25.409 42.493 1.00 34.80 C ATOM 1883 C GLU B 65 11.334 -25.329 43.883 1.00 41.92 C ATOM 1884 O GLU B 65 12.200 -26.136 44.224 1.00 40.62 O ATOM 1885 CB GLU B 65 9.856 -26.659 42.351 1.00 39.25 C ATOM 1886 CG GLU B 65 8.742 -26.768 43.372 1.00 45.62 C ATOM 1887 CD GLU B 65 7.806 -27.925 43.085 1.00 52.82 C ATOM 1888 OE1 GLU B 65 8.119 -28.742 42.192 1.00 52.12 O ATOM 1889 OE2 GLU B 65 6.752 -28.014 43.749 1.00 59.85 O ATOM 1890 H GLU B 65 12.620 -25.984 41.628 1.00 0.00 H ATOM 1891 N GLN B 66 10.890 -24.349 44.670 1.00 40.07 N ATOM 1892 CA GLN B 66 11.405 -24.144 46.021 1.00 47.66 C ATOM 1893 C GLN B 66 12.936 -23.941 45.911 1.00 47.28 C ATOM 1894 O GLN B 66 13.759 -24.674 46.456 1.00 53.78 O ATOM 1895 CB GLN B 66 10.932 -25.314 46.932 1.00 51.24 C ATOM 1896 CG GLN B 66 11.874 -25.978 47.949 1.00 60.77 C ATOM 1897 CD GLN B 66 12.350 -25.041 49.042 1.00 65.43 C ATOM 1898 OE1 GLN B 66 11.863 -23.918 49.172 1.00 67.34 O ATOM 1899 NE2 GLN B 66 13.311 -25.502 49.836 1.00 68.79 N ATOM 1900 HE22 GLN B 66 13.693 -26.458 49.689 1.00 0.00 H ATOM 1901 HE21 GLN B 66 13.681 -24.907 50.604 1.00 0.00 H ATOM 1902 H GLN B 66 10.153 -23.710 44.310 1.00 0.00 H ATOM 1903 N GLY B 67 13.305 -22.930 45.132 1.00 40.06 N ATOM 1904 CA GLY B 67 14.700 -22.565 44.941 1.00 41.50 C ATOM 1905 C GLY B 67 15.623 -23.667 44.447 1.00 38.77 C ATOM 1906 O GLY B 67 16.840 -23.489 44.411 1.00 41.05 O ATOM 1907 H GLY B 67 12.571 -22.380 44.642 1.00 0.00 H ATOM 1908 N SER B 68 15.052 -24.804 44.061 1.00 38.80 N ATOM 1909 CA SER B 68 15.850 -25.946 43.633 1.00 38.61 C ATOM 1910 C SER B 68 15.527 -26.377 42.206 1.00 33.88 C ATOM 1911 O SER B 68 14.367 -26.603 41.864 1.00 31.39 O ATOM 1912 CB SER B 68 15.642 -27.119 44.590 1.00 38.24 C ATOM 1913 OG SER B 68 16.132 -26.803 45.882 1.00 43.41 O ATOM 1914 HG SER B 68 15.649 -26.013 46.233 1.00 0.00 H ATOM 1915 H SER B 68 14.015 -24.880 44.065 1.00 0.00 H ATOM 1916 N TRP B 69 16.568 -26.499 41.387 1.00 29.96 N ATOM 1917 CA TRP B 69 16.425 -26.940 40.004 1.00 30.75 C ATOM 1918 C TRP B 69 16.082 -28.420 39.919 1.00 28.32 C ATOM 1919 O TRP B 69 16.464 -29.204 40.783 1.00 31.85 O ATOM 1920 CB TRP B 69 17.707 -26.652 39.218 1.00 29.96 C ATOM 1921 CG TRP B 69 17.942 -25.193 39.017 1.00 28.21 C ATOM 1922 CD1 TRP B 69 18.859 -24.412 39.655 1.00 29.71 C ATOM 1923 CD2 TRP B 69 17.230 -24.328 38.122 1.00 28.24 C ATOM 1924 NE1 TRP B 69 18.766 -23.114 39.211 1.00 31.68 N ATOM 1925 CE2 TRP B 69 17.772 -23.037 38.269 1.00 29.14 C ATOM 1926 CE3 TRP B 69 16.186 -24.523 37.209 1.00 27.21 C ATOM 1927 CZ2 TRP B 69 17.310 -21.944 37.537 1.00 27.99 C ATOM 1928 CZ3 TRP B 69 15.726 -23.437 36.484 1.00 25.13 C ATOM 1929 CH2 TRP B 69 16.289 -22.165 36.652 1.00 25.84 C ATOM 1930 HE1 TRP B 69 19.354 -22.320 39.536 1.00 0.00 H ATOM 1931 H TRP B 69 17.518 -26.272 41.745 1.00 0.00 H ATOM 1932 N GLY B 70 15.357 -28.795 38.870 1.00 26.49 N ATOM 1933 CA GLY B 70 14.957 -30.175 38.670 1.00 26.41 C ATOM 1934 C GLY B 70 15.924 -30.947 37.793 1.00 23.99 C ATOM 1935 O GLY B 70 17.085 -30.568 37.643 1.00 25.20 O ATOM 1936 H GLY B 70 15.068 -28.079 38.173 1.00 0.00 H ATOM 1937 N ARG B 71 15.443 -32.042 37.215 1.00 25.47 N ATOM 1938 CA ARG B 71 16.249 -32.830 36.295 1.00 24.38 C ATOM 1939 C ARG B 71 16.460 -32.067 34.990 1.00 25.70 C ATOM 1940 O ARG B 71 15.499 -31.589 34.383 1.00 22.30 O ATOM 1941 CB ARG B 71 15.587 -34.181 36.021 1.00 26.55 C ATOM 1942 CG ARG B 71 16.358 -35.045 35.040 1.00 28.06 C ATOM 1943 CD ARG B 71 15.688 -36.389 34.817 1.00 27.22 C ATOM 1944 NE ARG B 71 16.522 -37.268 33.999 1.00 32.68 N ATOM 1945 CZ ARG B 71 17.292 -38.240 34.483 1.00 34.73 C ATOM 1946 NH1 ARG B 71 17.328 -38.481 35.789 1.00 32.40 N ATOM 1947 NH2 ARG B 71 18.015 -38.985 33.658 1.00 37.29 N ATOM 1948 HE ARG B 71 16.513 -37.124 32.969 1.00 0.00 H ATOM 1949 HH12 ARG B 71 17.932 -39.242 36.161 1.00 0.00 H ATOM 1950 HH11 ARG B 71 16.753 -37.909 36.439 1.00 0.00 H ATOM 1951 HH22 ARG B 71 18.617 -39.745 34.035 1.00 0.00 H ATOM 1952 HH21 ARG B 71 17.980 -38.810 32.633 1.00 0.00 H ATOM 1953 H ARG B 71 14.470 -32.342 37.425 1.00 0.00 H ATOM 1954 N GLU B 72 17.716 -31.941 34.568 1.00 25.06 N ATOM 1955 CA GLU B 72 18.032 -31.254 33.319 1.00 20.87 C ATOM 1956 C GLU B 72 17.681 -32.091 32.098 1.00 26.63 C ATOM 1957 O GLU B 72 18.050 -33.261 32.009 1.00 22.61 O ATOM 1958 CB GLU B 72 19.515 -30.881 33.254 1.00 21.97 C ATOM 1959 CG GLU B 72 19.941 -29.781 34.207 1.00 24.41 C ATOM 1960 CD GLU B 72 21.326 -29.253 33.894 1.00 24.12 C ATOM 1961 OE1 GLU B 72 22.135 -29.998 33.298 1.00 26.56 O ATOM 1962 OE2 GLU B 72 21.607 -28.087 34.238 1.00 27.30 O ATOM 1963 H GLU B 72 18.488 -32.340 35.139 1.00 0.00 H ATOM 1964 N GLU B 73 16.967 -31.486 31.155 1.00 21.50 N ATOM 1965 CA GLU B 73 16.813 -32.083 29.840 1.00 23.93 C ATOM 1966 C GLU B 73 17.752 -31.343 28.910 1.00 25.82 C ATOM 1967 O GLU B 73 17.457 -30.237 28.453 1.00 24.95 O ATOM 1968 CB GLU B 73 15.361 -32.022 29.364 1.00 21.04 C ATOM 1969 CG GLU B 73 14.424 -32.797 30.276 1.00 22.36 C ATOM 1970 CD GLU B 73 12.974 -32.725 29.860 1.00 23.72 C ATOM 1971 OE1 GLU B 73 12.704 -32.492 28.661 1.00 21.96 O ATOM 1972 OE2 GLU B 73 12.101 -32.903 30.740 1.00 22.11 O ATOM 1973 H GLU B 73 16.513 -30.573 31.361 1.00 0.00 H ATOM 1974 N ARG B 74 18.906 -31.952 28.662 1.00 26.72 N ATOM 1975 CA ARG B 74 19.988 -31.288 27.955 1.00 27.01 C ATOM 1976 C ARG B 74 20.492 -32.100 26.778 1.00 27.40 C ATOM 1977 O ARG B 74 20.231 -33.299 26.671 1.00 27.73 O ATOM 1978 CB ARG B 74 21.148 -31.011 28.909 1.00 29.19 C ATOM 1979 CG ARG B 74 21.648 -32.250 29.629 1.00 30.29 C ATOM 1980 CD ARG B 74 23.093 -32.088 30.068 1.00 35.78 C ATOM 1981 NE ARG B 74 23.288 -30.951 30.963 1.00 31.87 N ATOM 1982 CZ ARG B 74 24.175 -29.984 30.755 1.00 30.65 C ATOM 1983 NH1 ARG B 74 24.949 -30.012 29.681 1.00 32.20 N ATOM 1984 NH2 ARG B 74 24.290 -28.989 31.623 1.00 32.42 N ATOM 1985 HE ARG B 74 22.696 -30.895 31.816 1.00 0.00 H ATOM 1986 HH12 ARG B 74 25.643 -29.254 29.520 1.00 0.00 H ATOM 1987 HH11 ARG B 74 24.863 -30.792 28.998 1.00 0.00 H ATOM 1988 HH22 ARG B 74 24.985 -28.233 31.458 1.00 0.00 H ATOM 1989 HH21 ARG B 74 23.685 -28.964 32.469 1.00 0.00 H ATOM 1990 H ARG B 74 19.039 -32.932 28.983 1.00 0.00 H ATOM 1991 N GLY B 75 21.230 -31.437 25.899 1.00 28.63 N ATOM 1992 CA GLY B 75 21.800 -32.092 24.739 1.00 32.69 C ATOM 1993 C GLY B 75 22.816 -31.211 24.044 1.00 31.94 C ATOM 1994 O GLY B 75 22.738 -29.981 24.130 1.00 33.68 O ATOM 1995 H GLY B 75 21.404 -30.422 26.045 1.00 0.00 H ATOM 1996 N PRO B 76 23.781 -31.835 23.355 1.00 32.58 N ATOM 1997 CA PRO B 76 24.795 -31.103 22.589 1.00 33.01 C ATOM 1998 C PRO B 76 24.185 -30.382 21.393 1.00 31.90 C ATOM 1999 O PRO B 76 23.134 -30.786 20.897 1.00 32.53 O ATOM 2000 CB PRO B 76 25.756 -32.206 22.133 1.00 34.50 C ATOM 2001 CG PRO B 76 24.914 -33.440 22.102 1.00 36.38 C ATOM 2002 CD PRO B 76 23.953 -33.295 23.248 1.00 31.20 C ATOM 2003 N GLY B 77 24.846 -29.323 20.940 1.00 33.31 N ATOM 2004 CA GLY B 77 24.351 -28.535 19.827 1.00 33.14 C ATOM 2005 C GLY B 77 23.429 -27.427 20.297 1.00 30.47 C ATOM 2006 O GLY B 77 22.768 -27.549 21.330 1.00 29.51 O ATOM 2007 H GLY B 77 25.741 -29.052 21.395 1.00 0.00 H ATOM 2008 N VAL B 78 23.390 -26.339 19.539 1.00 27.06 N ATOM 2009 CA VAL B 78 22.541 -25.208 19.873 1.00 26.10 C ATOM 2010 C VAL B 78 22.100 -24.510 18.587 1.00 23.17 C ATOM 2011 O VAL B 78 22.931 -24.176 17.739 1.00 22.44 O ATOM 2012 CB VAL B 78 23.267 -24.219 20.826 1.00 23.99 C ATOM 2013 CG1 VAL B 78 24.656 -23.870 20.303 1.00 26.64 C ATOM 2014 CG2 VAL B 78 22.436 -22.969 21.050 1.00 23.69 C ATOM 2015 H VAL B 78 23.982 -26.294 18.685 1.00 0.00 H ATOM 2016 N PRO B 79 20.780 -24.309 18.427 1.00 21.90 N ATOM 2017 CA PRO B 79 20.215 -23.705 17.217 1.00 19.95 C ATOM 2018 C PRO B 79 20.312 -22.183 17.222 1.00 20.06 C ATOM 2019 O PRO B 79 19.429 -21.504 16.694 1.00 20.51 O ATOM 2020 CB PRO B 79 18.757 -24.153 17.265 1.00 22.31 C ATOM 2021 CG PRO B 79 18.453 -24.186 18.726 1.00 17.17 C ATOM 2022 CD PRO B 79 19.725 -24.687 19.387 1.00 22.53 C ATOM 2023 N PHE B 80 21.373 -21.664 17.829 1.00 21.29 N ATOM 2024 CA PHE B 80 21.641 -20.232 17.870 1.00 20.58 C ATOM 2025 C PHE B 80 23.101 -20.012 17.508 1.00 22.15 C ATOM 2026 O PHE B 80 23.928 -20.901 17.700 1.00 21.16 O ATOM 2027 CB PHE B 80 21.347 -19.644 19.254 1.00 16.86 C ATOM 2028 CG PHE B 80 19.921 -19.822 19.710 1.00 19.51 C ATOM 2029 CD1 PHE B 80 18.959 -18.865 19.419 1.00 17.71 C ATOM 2030 CD2 PHE B 80 19.546 -20.938 20.441 1.00 19.15 C ATOM 2031 CE1 PHE B 80 17.656 -19.020 19.838 1.00 15.69 C ATOM 2032 CE2 PHE B 80 18.241 -21.098 20.863 1.00 15.37 C ATOM 2033 CZ PHE B 80 17.296 -20.138 20.564 1.00 16.21 C ATOM 2034 H PHE B 80 22.043 -22.308 18.296 1.00 0.00 H ATOM 2035 N GLN B 81 23.416 -18.835 16.983 1.00 21.16 N ATOM 2036 CA GLN B 81 24.788 -18.498 16.623 1.00 24.13 C ATOM 2037 C GLN B 81 25.124 -17.094 17.114 1.00 21.56 C ATOM 2038 O GLN B 81 24.308 -16.180 16.986 1.00 20.11 O ATOM 2039 CB GLN B 81 25.000 -18.592 15.107 1.00 21.06 C ATOM 2040 CG GLN B 81 24.638 -19.937 14.491 1.00 23.71 C ATOM 2041 CD GLN B 81 23.189 -20.004 14.033 1.00 27.44 C ATOM 2042 OE1 GLN B 81 22.658 -19.048 13.464 1.00 27.68 O ATOM 2043 NE2 GLN B 81 22.542 -21.139 14.281 1.00 26.68 N ATOM 2044 HE22 GLN B 81 23.029 -21.921 14.764 1.00 0.00 H ATOM 2045 HE21 GLN B 81 21.549 -21.245 13.992 1.00 0.00 H ATOM 2046 H GLN B 81 22.664 -18.134 16.824 1.00 0.00 H ATOM 2047 N ARG B 82 26.314 -16.924 17.687 1.00 23.86 N ATOM 2048 CA ARG B 82 26.769 -15.600 18.099 1.00 20.66 C ATOM 2049 C ARG B 82 26.721 -14.644 16.911 1.00 19.32 C ATOM 2050 O ARG B 82 27.167 -14.985 15.822 1.00 20.12 O ATOM 2051 CB ARG B 82 28.188 -15.652 18.670 1.00 22.38 C ATOM 2052 CG ARG B 82 28.354 -16.507 19.917 1.00 28.31 C ATOM 2053 CD ARG B 82 29.813 -16.521 20.356 1.00 28.23 C ATOM 2054 NE ARG B 82 29.988 -17.022 21.715 1.00 31.18 N ATOM 2055 CZ ARG B 82 30.694 -18.105 22.027 1.00 35.42 C ATOM 2056 NH1 ARG B 82 31.293 -18.808 21.074 1.00 36.37 N ATOM 2057 NH2 ARG B 82 30.804 -18.484 23.292 1.00 32.55 N ATOM 2058 HE ARG B 82 29.531 -16.499 22.489 1.00 0.00 H ATOM 2059 HH12 ARG B 82 31.844 -19.654 21.321 1.00 0.00 H ATOM 2060 HH11 ARG B 82 31.211 -18.512 20.080 1.00 0.00 H ATOM 2061 HH22 ARG B 82 31.356 -19.331 23.535 1.00 0.00 H ATOM 2062 HH21 ARG B 82 30.338 -17.934 24.042 1.00 0.00 H ATOM 2063 H ARG B 82 26.929 -17.748 17.843 1.00 0.00 H ATOM 2064 N GLY B 83 26.160 -13.460 17.124 1.00 17.60 N ATOM 2065 CA GLY B 83 26.079 -12.453 16.082 1.00 21.65 C ATOM 2066 C GLY B 83 24.842 -12.549 15.208 1.00 19.86 C ATOM 2067 O GLY B 83 24.578 -11.654 14.409 1.00 22.22 O ATOM 2068 H GLY B 83 25.768 -13.248 18.064 1.00 0.00 H ATOM 2069 N GLN B 84 24.067 -13.620 15.364 1.00 17.43 N ATOM 2070 CA GLN B 84 22.940 -13.867 14.468 1.00 17.56 C ATOM 2071 C GLN B 84 21.582 -13.699 15.152 1.00 18.63 C ATOM 2072 O GLN B 84 21.411 -14.086 16.313 1.00 15.97 O ATOM 2073 CB GLN B 84 23.047 -15.271 13.869 1.00 20.34 C ATOM 2074 CG GLN B 84 24.240 -15.447 12.935 1.00 20.31 C ATOM 2075 CD GLN B 84 24.230 -14.448 11.796 1.00 21.70 C ATOM 2076 OE1 GLN B 84 25.226 -13.767 11.543 1.00 26.37 O ATOM 2077 NE2 GLN B 84 23.101 -14.354 11.100 1.00 23.17 N ATOM 2078 HE22 GLN B 84 22.285 -14.949 11.349 1.00 0.00 H ATOM 2079 HE21 GLN B 84 23.034 -13.686 10.306 1.00 0.00 H ATOM 2080 H GLN B 84 24.267 -14.290 16.134 1.00 0.00 H ATOM 2081 N PRO B 85 20.609 -13.129 14.423 1.00 17.37 N ATOM 2082 CA PRO B 85 19.245 -12.957 14.934 1.00 18.96 C ATOM 2083 C PRO B 85 18.489 -14.280 15.003 1.00 16.75 C ATOM 2084 O PRO B 85 18.860 -15.240 14.329 1.00 16.94 O ATOM 2085 CB PRO B 85 18.602 -12.016 13.914 1.00 20.75 C ATOM 2086 CG PRO B 85 19.347 -12.287 12.647 1.00 20.03 C ATOM 2087 CD PRO B 85 20.761 -12.581 13.061 1.00 19.18 C ATOM 2088 N PHE B 86 17.443 -14.324 15.821 1.00 15.75 N ATOM 2089 CA PHE B 86 16.657 -15.534 15.975 1.00 13.76 C ATOM 2090 C PHE B 86 15.187 -15.207 16.182 1.00 13.24 C ATOM 2091 O PHE B 86 14.826 -14.074 16.512 1.00 12.87 O ATOM 2092 CB PHE B 86 17.177 -16.371 17.154 1.00 16.38 C ATOM 2093 CG PHE B 86 17.048 -15.682 18.493 1.00 15.90 C ATOM 2094 CD1 PHE B 86 15.855 -15.727 19.204 1.00 13.41 C ATOM 2095 CD2 PHE B 86 18.116 -14.986 19.031 1.00 15.43 C ATOM 2096 CE1 PHE B 86 15.733 -15.093 20.426 1.00 14.09 C ATOM 2097 CE2 PHE B 86 18.005 -14.349 20.254 1.00 16.26 C ATOM 2098 CZ PHE B 86 16.811 -14.404 20.954 1.00 17.47 C ATOM 2099 H PHE B 86 17.182 -13.475 16.362 1.00 0.00 H ATOM 2100 N GLU B 87 14.345 -16.214 15.995 1.00 12.55 N ATOM 2101 CA GLU B 87 12.948 -16.127 16.383 1.00 12.82 C ATOM 2102 C GLU B 87 12.557 -17.410 17.093 1.00 13.04 C ATOM 2103 O GLU B 87 12.634 -18.497 16.519 1.00 13.36 O ATOM 2104 CB GLU B 87 12.042 -15.889 15.177 1.00 15.57 C ATOM 2105 CG GLU B 87 10.566 -16.099 15.486 1.00 16.27 C ATOM 2106 CD GLU B 87 9.639 -15.448 14.465 1.00 23.44 C ATOM 2107 OE1 GLU B 87 9.864 -14.275 14.107 1.00 26.86 O ATOM 2108 OE2 GLU B 87 8.673 -16.108 14.032 1.00 29.52 O ATOM 2109 H GLU B 87 14.695 -17.091 15.558 1.00 0.00 H ATOM 2110 N VAL B 88 12.132 -17.273 18.342 1.00 10.57 N ATOM 2111 CA VAL B 88 11.743 -18.414 19.154 1.00 10.70 C ATOM 2112 C VAL B 88 10.251 -18.399 19.444 1.00 12.29 C ATOM 2113 O VAL B 88 9.682 -17.352 19.747 1.00 12.27 O ATOM 2114 CB VAL B 88 12.531 -18.433 20.487 1.00 12.92 C ATOM 2115 CG1 VAL B 88 11.881 -19.363 21.504 1.00 12.50 C ATOM 2116 CG2 VAL B 88 13.974 -18.820 20.235 1.00 12.52 C ATOM 2117 H VAL B 88 12.075 -16.319 18.753 1.00 0.00 H ATOM 2118 N LEU B 89 9.616 -19.562 19.335 1.00 10.89 N ATOM 2119 CA LEU B 89 8.258 -19.726 19.827 1.00 11.48 C ATOM 2120 C LEU B 89 8.227 -20.647 21.039 1.00 12.30 C ATOM 2121 O LEU B 89 8.793 -21.743 21.011 1.00 13.51 O ATOM 2122 CB LEU B 89 7.336 -20.295 18.746 1.00 11.67 C ATOM 2123 CG LEU B 89 7.230 -19.585 17.399 1.00 11.16 C ATOM 2124 CD1 LEU B 89 6.269 -20.368 16.513 1.00 9.51 C ATOM 2125 CD2 LEU B 89 6.758 -18.160 17.587 1.00 13.07 C ATOM 2126 H LEU B 89 10.099 -20.368 18.890 1.00 0.00 H ATOM 2127 N ILE B 90 7.562 -20.200 22.098 1.00 11.93 N ATOM 2128 CA ILE B 90 7.238 -21.074 23.218 1.00 10.74 C ATOM 2129 C ILE B 90 5.738 -21.318 23.213 1.00 11.54 C ATOM 2130 O ILE B 90 4.953 -20.400 23.426 1.00 13.65 O ATOM 2131 CB ILE B 90 7.660 -20.479 24.576 1.00 13.83 C ATOM 2132 CG1 ILE B 90 9.153 -20.126 24.574 1.00 14.11 C ATOM 2133 CG2 ILE B 90 7.313 -21.452 25.714 1.00 12.60 C ATOM 2134 CD1 ILE B 90 10.066 -21.315 24.373 1.00 17.77 C ATOM 2135 H ILE B 90 7.266 -19.204 22.129 1.00 0.00 H ATOM 2136 N ILE B 91 5.343 -22.554 22.953 1.00 10.96 N ATOM 2137 CA ILE B 91 3.937 -22.883 22.774 1.00 12.97 C ATOM 2138 C ILE B 91 3.491 -23.798 23.897 1.00 12.07 C ATOM 2139 O ILE B 91 4.033 -24.887 24.052 1.00 14.10 O ATOM 2140 CB ILE B 91 3.680 -23.583 21.418 1.00 12.39 C ATOM 2141 CG1 ILE B 91 4.193 -22.726 20.253 1.00 12.13 C ATOM 2142 CG2 ILE B 91 2.202 -23.919 21.255 1.00 11.74 C ATOM 2143 CD1 ILE B 91 4.438 -23.521 18.980 1.00 11.38 C ATOM 2144 H ILE B 91 6.055 -23.308 22.875 1.00 0.00 H ATOM 2145 N ALA B 92 2.521 -23.355 24.690 1.00 13.86 N ATOM 2146 CA ALA B 92 1.976 -24.210 25.740 1.00 14.69 C ATOM 2147 C ALA B 92 0.995 -25.203 25.137 1.00 14.79 C ATOM 2148 O ALA B 92 0.037 -24.819 24.462 1.00 14.69 O ATOM 2149 CB ALA B 92 1.296 -23.381 26.828 1.00 14.98 C ATOM 2150 H ALA B 92 2.148 -22.393 24.562 1.00 0.00 H ATOM 2151 N SER B 93 1.242 -26.484 25.377 1.00 17.38 N ATOM 2152 CA SER B 93 0.337 -27.524 24.916 1.00 17.97 C ATOM 2153 C SER B 93 -0.272 -28.214 26.127 1.00 21.55 C ATOM 2154 O SER B 93 0.060 -27.886 27.268 1.00 20.15 O ATOM 2155 CB SER B 93 1.072 -28.523 24.020 1.00 21.10 C ATOM 2156 OG SER B 93 0.178 -29.162 23.123 1.00 24.10 O ATOM 2157 HG SER B 93 0.680 -29.801 22.558 1.00 0.00 H ATOM 2158 H SER B 93 2.098 -26.749 25.904 1.00 0.00 H ATOM 2159 N ASP B 94 -1.162 -29.170 25.891 1.00 24.41 N ATOM 2160 CA ASP B 94 -1.836 -29.828 27.001 1.00 25.97 C ATOM 2161 C ASP B 94 -0.878 -30.701 27.821 1.00 26.74 C ATOM 2162 O ASP B 94 -1.096 -30.901 29.015 1.00 29.90 O ATOM 2163 CB ASP B 94 -3.035 -30.653 26.499 1.00 28.15 C ATOM 2164 CG ASP B 94 -2.696 -31.534 25.306 1.00 30.49 C ATOM 2165 OD1 ASP B 94 -1.702 -31.253 24.604 1.00 26.51 O ATOM 2166 OD2 ASP B 94 -3.441 -32.511 25.063 1.00 34.60 O ATOM 2167 H ASP B 94 -1.378 -29.449 24.913 1.00 0.00 H ATOM 2168 N ASP B 95 0.195 -31.198 27.207 1.00 22.53 N ATOM 2169 CA ASP B 95 1.119 -32.055 27.950 1.00 25.51 C ATOM 2170 C ASP B 95 2.527 -31.477 28.134 1.00 26.00 C ATOM 2171 O ASP B 95 3.368 -32.095 28.788 1.00 21.78 O ATOM 2172 CB ASP B 95 1.209 -33.439 27.289 1.00 29.06 C ATOM 2173 CG ASP B 95 1.548 -33.373 25.811 1.00 32.17 C ATOM 2174 OD1 ASP B 95 2.007 -32.310 25.336 1.00 31.21 O ATOM 2175 OD2 ASP B 95 1.360 -34.400 25.122 1.00 33.24 O ATOM 2176 H ASP B 95 0.374 -30.978 26.206 1.00 0.00 H ATOM 2177 N GLY B 96 2.787 -30.294 27.580 1.00 21.87 N ATOM 2178 CA GLY B 96 4.083 -29.662 27.762 1.00 18.91 C ATOM 2179 C GLY B 96 4.264 -28.352 27.015 1.00 17.99 C ATOM 2180 O GLY B 96 3.306 -27.804 26.477 1.00 18.41 O ATOM 2181 H GLY B 96 2.057 -29.819 27.012 1.00 0.00 H ATOM 2182 N PHE B 97 5.496 -27.848 27.001 1.00 15.12 N ATOM 2183 CA PHE B 97 5.854 -26.679 26.200 1.00 15.96 C ATOM 2184 C PHE B 97 6.630 -27.107 24.965 1.00 15.98 C ATOM 2185 O PHE B 97 7.603 -27.851 25.055 1.00 18.13 O ATOM 2186 CB PHE B 97 6.698 -25.676 26.995 1.00 14.08 C ATOM 2187 CG PHE B 97 6.024 -25.145 28.222 1.00 15.26 C ATOM 2188 CD1 PHE B 97 5.047 -24.171 28.125 1.00 15.13 C ATOM 2189 CD2 PHE B 97 6.378 -25.612 29.478 1.00 15.35 C ATOM 2190 CE1 PHE B 97 4.425 -23.684 29.256 1.00 14.83 C ATOM 2191 CE2 PHE B 97 5.760 -25.128 30.608 1.00 17.50 C ATOM 2192 CZ PHE B 97 4.783 -24.160 30.496 1.00 16.85 C ATOM 2193 H PHE B 97 6.230 -28.302 27.581 1.00 0.00 H ATOM 2194 N LYS B 98 6.196 -26.637 23.807 1.00 15.46 N ATOM 2195 CA LYS B 98 6.954 -26.855 22.596 1.00 16.17 C ATOM 2196 C LYS B 98 7.844 -25.644 22.364 1.00 13.88 C ATOM 2197 O LYS B 98 7.369 -24.502 22.345 1.00 13.59 O ATOM 2198 CB LYS B 98 6.016 -27.113 21.415 1.00 14.98 C ATOM 2199 CG LYS B 98 4.995 -28.189 21.749 1.00 18.79 C ATOM 2200 CD LYS B 98 4.382 -28.837 20.530 1.00 26.33 C ATOM 2201 CE LYS B 98 3.191 -28.064 20.051 1.00 20.95 C ATOM 2202 NZ LYS B 98 2.186 -28.967 19.416 1.00 20.64 N ATOM 2203 HZ1 LYS B 98 2.620 -29.449 18.603 1.00 0.00 H ATOM 2204 HZ2 LYS B 98 1.868 -29.673 20.110 1.00 0.00 H ATOM 2205 HZ3 LYS B 98 1.372 -28.406 19.094 1.00 0.00 H ATOM 2206 H LYS B 98 5.302 -26.106 23.768 1.00 0.00 H ATOM 2207 N ALA B 99 9.140 -25.902 22.237 1.00 12.93 N ATOM 2208 CA ALA B 99 10.117 -24.855 21.971 1.00 10.48 C ATOM 2209 C ALA B 99 10.510 -24.883 20.501 1.00 12.74 C ATOM 2210 O ALA B 99 11.082 -25.860 20.010 1.00 14.68 O ATOM 2211 CB ALA B 99 11.337 -25.019 22.862 1.00 12.72 C ATOM 2212 H ALA B 99 9.469 -26.884 22.331 1.00 0.00 H ATOM 2213 N VAL B 100 10.183 -23.809 19.797 1.00 9.53 N ATOM 2214 CA VAL B 100 10.442 -23.717 18.370 1.00 11.12 C ATOM 2215 C VAL B 100 11.549 -22.700 18.121 1.00 11.35 C ATOM 2216 O VAL B 100 11.524 -21.605 18.675 1.00 10.02 O ATOM 2217 CB VAL B 100 9.170 -23.300 17.588 1.00 11.54 C ATOM 2218 CG1 VAL B 100 9.479 -23.107 16.096 1.00 13.17 C ATOM 2219 CG2 VAL B 100 8.039 -24.310 17.797 1.00 13.09 C ATOM 2220 H VAL B 100 9.728 -23.008 20.280 1.00 0.00 H ATOM 2221 N VAL B 101 12.533 -23.071 17.311 1.00 11.57 N ATOM 2222 CA VAL B 101 13.591 -22.143 16.925 1.00 10.61 C ATOM 2223 C VAL B 101 13.710 -22.153 15.405 1.00 13.49 C ATOM 2224 O VAL B 101 13.802 -23.215 14.796 1.00 14.14 O ATOM 2225 CB VAL B 101 14.949 -22.510 17.560 1.00 13.95 C ATOM 2226 CG1 VAL B 101 15.991 -21.454 17.224 1.00 14.53 C ATOM 2227 CG2 VAL B 101 14.812 -22.664 19.079 1.00 10.83 C ATOM 2228 H VAL B 101 12.550 -24.044 16.944 1.00 0.00 H ATOM 2229 N GLY B 102 13.687 -20.975 14.791 1.00 14.43 N ATOM 2230 CA GLY B 102 13.708 -20.901 13.341 1.00 15.69 C ATOM 2231 C GLY B 102 12.488 -21.565 12.719 1.00 14.73 C ATOM 2232 O GLY B 102 11.351 -21.153 12.956 1.00 13.77 O ATOM 2233 H GLY B 102 13.654 -20.100 15.353 1.00 0.00 H ATOM 2234 N ASP B 103 12.718 -22.617 11.940 1.00 15.00 N ATOM 2235 CA ASP B 103 11.628 -23.257 11.212 1.00 15.93 C ATOM 2236 C ASP B 103 11.253 -24.629 11.752 1.00 15.83 C ATOM 2237 O ASP B 103 10.461 -25.337 11.133 1.00 17.53 O ATOM 2238 CB ASP B 103 11.995 -23.394 9.732 1.00 20.38 C ATOM 2239 CG ASP B 103 12.275 -22.065 9.079 1.00 19.99 C ATOM 2240 OD1 ASP B 103 11.446 -21.142 9.223 1.00 21.96 O ATOM 2241 OD2 ASP B 103 13.332 -21.938 8.427 1.00 23.07 O ATOM 2242 H ASP B 103 13.685 -22.988 11.849 1.00 0.00 H ATOM 2243 N ALA B 104 11.813 -25.013 12.894 1.00 12.72 N ATOM 2244 CA ALA B 104 11.634 -26.375 13.384 1.00 15.39 C ATOM 2245 C ALA B 104 11.457 -26.438 14.894 1.00 15.45 C ATOM 2246 O ALA B 104 12.102 -25.694 15.634 1.00 15.35 O ATOM 2247 CB ALA B 104 12.816 -27.236 12.965 1.00 20.51 C ATOM 2248 H ALA B 104 12.383 -24.338 13.442 1.00 0.00 H ATOM 2249 N GLN B 105 10.588 -27.333 15.350 1.00 15.54 N ATOM 2250 CA GLN B 105 10.434 -27.547 16.783 1.00 16.58 C ATOM 2251 C GLN B 105 11.713 -28.157 17.322 1.00 17.00 C ATOM 2252 O GLN B 105 12.148 -29.206 16.852 1.00 17.37 O ATOM 2253 CB GLN B 105 9.241 -28.448 17.090 1.00 19.03 C ATOM 2254 CG GLN B 105 9.047 -28.707 18.580 1.00 17.84 C ATOM 2255 CD GLN B 105 7.692 -29.310 18.882 1.00 20.28 C ATOM 2256 OE1 GLN B 105 6.660 -28.759 18.499 1.00 19.72 O ATOM 2257 NE2 GLN B 105 7.687 -30.457 19.556 1.00 18.73 N ATOM 2258 HE22 GLN B 105 8.585 -30.886 19.859 1.00 0.00 H ATOM 2259 HE21 GLN B 105 6.785 -30.925 19.779 1.00 0.00 H ATOM 2260 H GLN B 105 10.014 -27.884 14.680 1.00 0.00 H ATOM 2261 N TYR B 106 12.325 -27.493 18.297 1.00 16.06 N ATOM 2262 CA TYR B 106 13.612 -27.943 18.811 1.00 16.84 C ATOM 2263 C TYR B 106 13.458 -28.932 19.966 1.00 16.12 C ATOM 2264 O TYR B 106 14.262 -29.852 20.117 1.00 16.19 O ATOM 2265 CB TYR B 106 14.460 -26.752 19.259 1.00 16.96 C ATOM 2266 CG TYR B 106 15.862 -27.149 19.661 1.00 19.62 C ATOM 2267 CD1 TYR B 106 16.822 -27.435 18.700 1.00 22.63 C ATOM 2268 CD2 TYR B 106 16.223 -27.245 20.997 1.00 22.05 C ATOM 2269 CE1 TYR B 106 18.103 -27.805 19.058 1.00 24.97 C ATOM 2270 CE2 TYR B 106 17.502 -27.611 21.364 1.00 25.45 C ATOM 2271 CZ TYR B 106 18.437 -27.890 20.390 1.00 25.66 C ATOM 2272 OH TYR B 106 19.714 -28.257 20.749 1.00 35.28 O ATOM 2273 HH TYR B 106 19.678 -29.084 21.292 1.00 0.00 H ATOM 2274 H TYR B 106 11.880 -26.643 18.698 1.00 0.00 H ATOM 2275 N HIS B 107 12.428 -28.739 20.780 1.00 16.67 N ATOM 2276 CA HIS B 107 12.193 -29.631 21.905 1.00 16.85 C ATOM 2277 C HIS B 107 10.768 -29.520 22.415 1.00 19.02 C ATOM 2278 O HIS B 107 10.099 -28.502 22.220 1.00 15.99 O ATOM 2279 CB HIS B 107 13.179 -29.342 23.046 1.00 15.92 C ATOM 2280 CG HIS B 107 13.114 -30.336 24.166 1.00 19.92 C ATOM 2281 ND1 HIS B 107 13.198 -31.697 23.958 1.00 22.00 N ATOM 2282 CD2 HIS B 107 12.978 -30.169 25.503 1.00 16.84 C ATOM 2283 CE1 HIS B 107 13.113 -32.324 25.118 1.00 22.79 C ATOM 2284 NE2 HIS B 107 12.980 -31.420 26.071 1.00 16.77 N ATOM 2285 H HIS B 107 11.782 -27.942 20.612 1.00 0.00 H ATOM 2286 N HIS B 108 10.306 -30.594 23.046 1.00 18.50 N ATOM 2287 CA HIS B 108 9.018 -30.623 23.720 1.00 17.63 C ATOM 2288 C HIS B 108 9.267 -30.922 25.199 1.00 18.01 C ATOM 2289 O HIS B 108 9.690 -32.020 25.548 1.00 19.03 O ATOM 2290 CB HIS B 108 8.095 -31.669 23.088 1.00 15.47 C ATOM 2291 CG HIS B 108 6.749 -31.760 23.737 1.00 21.72 C ATOM 2292 ND1 HIS B 108 6.516 -32.519 24.864 1.00 21.95 N ATOM 2293 CD2 HIS B 108 5.564 -31.186 23.419 1.00 22.01 C ATOM 2294 CE1 HIS B 108 5.247 -32.407 25.214 1.00 24.98 C ATOM 2295 NE2 HIS B 108 4.646 -31.603 24.353 1.00 26.86 N ATOM 2296 H HIS B 108 10.892 -31.453 23.058 1.00 0.00 H ATOM 2297 N PHE B 109 9.031 -29.930 26.052 1.00 17.57 N ATOM 2298 CA PHE B 109 9.330 -30.022 27.481 1.00 14.61 C ATOM 2299 C PHE B 109 8.064 -30.343 28.257 1.00 19.21 C ATOM 2300 O PHE B 109 7.215 -29.481 28.443 1.00 16.89 O ATOM 2301 CB PHE B 109 9.954 -28.708 27.973 1.00 17.83 C ATOM 2302 CG PHE B 109 10.371 -28.717 29.424 1.00 18.01 C ATOM 2303 CD1 PHE B 109 11.604 -29.227 29.803 1.00 17.37 C ATOM 2304 CD2 PHE B 109 9.541 -28.189 30.406 1.00 17.15 C ATOM 2305 CE1 PHE B 109 11.999 -29.224 31.138 1.00 19.86 C ATOM 2306 CE2 PHE B 109 9.930 -28.182 31.740 1.00 20.13 C ATOM 2307 CZ PHE B 109 11.160 -28.700 32.106 1.00 17.59 C ATOM 2308 H PHE B 109 8.615 -29.049 25.687 1.00 0.00 H ATOM 2309 N ARG B 110 7.924 -31.588 28.704 1.00 17.88 N ATOM 2310 CA ARG B 110 6.695 -31.987 29.379 1.00 17.57 C ATOM 2311 C ARG B 110 6.511 -31.231 30.689 1.00 16.46 C ATOM 2312 O ARG B 110 7.478 -30.921 31.377 1.00 19.04 O ATOM 2313 CB ARG B 110 6.684 -33.501 29.607 1.00 23.58 C ATOM 2314 CG ARG B 110 6.546 -34.269 28.305 1.00 24.67 C ATOM 2315 CD ARG B 110 6.497 -35.766 28.507 1.00 27.90 C ATOM 2316 NE ARG B 110 6.075 -36.440 27.282 1.00 27.62 N ATOM 2317 CZ ARG B 110 4.804 -36.652 26.956 1.00 27.84 C ATOM 2318 NH1 ARG B 110 3.836 -36.246 27.769 1.00 30.65 N ATOM 2319 NH2 ARG B 110 4.500 -37.267 25.821 1.00 31.86 N ATOM 2320 HE ARG B 110 6.811 -36.773 26.627 1.00 0.00 H ATOM 2321 HH12 ARG B 110 2.841 -36.411 27.516 1.00 0.00 H ATOM 2322 HH11 ARG B 110 4.073 -35.763 28.659 1.00 0.00 H ATOM 2323 HH22 ARG B 110 3.504 -37.431 25.569 1.00 0.00 H ATOM 2324 HH21 ARG B 110 5.257 -37.585 25.183 1.00 0.00 H ATOM 2325 H ARG B 110 8.692 -32.277 28.572 1.00 0.00 H ATOM 2326 N HIS B 111 5.262 -30.905 31.004 1.00 19.31 N ATOM 2327 CA HIS B 111 4.956 -30.089 32.177 1.00 20.21 C ATOM 2328 C HIS B 111 5.430 -30.733 33.473 1.00 22.18 C ATOM 2329 O HIS B 111 5.295 -31.939 33.666 1.00 24.99 O ATOM 2330 CB HIS B 111 3.453 -29.823 32.273 1.00 19.99 C ATOM 2331 CG HIS B 111 2.931 -28.897 31.221 1.00 19.24 C ATOM 2332 ND1 HIS B 111 3.460 -27.643 31.003 1.00 20.09 N ATOM 2333 CD2 HIS B 111 1.914 -29.035 30.338 1.00 22.04 C ATOM 2334 CE1 HIS B 111 2.799 -27.053 30.024 1.00 18.71 C ATOM 2335 NE2 HIS B 111 1.856 -27.877 29.602 1.00 22.86 N ATOM 2336 H HIS B 111 4.483 -31.239 30.401 1.00 0.00 H ATOM 2337 N ARG B 112 5.988 -29.917 34.358 1.00 21.38 N ATOM 2338 CA ARG B 112 6.361 -30.377 35.686 1.00 24.81 C ATOM 2339 C ARG B 112 5.521 -29.654 36.732 1.00 29.14 C ATOM 2340 O ARG B 112 4.912 -30.284 37.598 1.00 27.28 O ATOM 2341 CB ARG B 112 7.846 -30.148 35.927 1.00 24.73 C ATOM 2342 CG ARG B 112 8.712 -30.756 34.848 1.00 22.54 C ATOM 2343 CD ARG B 112 10.161 -30.627 35.203 1.00 23.26 C ATOM 2344 NE ARG B 112 11.023 -31.260 34.216 1.00 23.40 N ATOM 2345 CZ ARG B 112 12.346 -31.248 34.292 1.00 22.32 C ATOM 2346 NH1 ARG B 112 12.937 -30.641 35.310 1.00 26.52 N ATOM 2347 NH2 ARG B 112 13.074 -31.844 33.360 1.00 24.50 N ATOM 2348 HE ARG B 112 10.579 -31.746 33.411 1.00 0.00 H ATOM 2349 HH12 ARG B 112 13.975 -30.628 35.376 1.00 0.00 H ATOM 2350 HH11 ARG B 112 12.363 -30.178 36.043 1.00 0.00 H ATOM 2351 HH22 ARG B 112 14.112 -31.832 33.424 1.00 0.00 H ATOM 2352 HH21 ARG B 112 12.608 -32.324 32.564 1.00 0.00 H ATOM 2353 H ARG B 112 6.163 -28.926 34.096 1.00 0.00 H ATOM 2354 N LEU B 113 5.484 -28.329 36.634 1.00 22.70 N ATOM 2355 CA LEU B 113 4.656 -27.511 37.509 1.00 24.64 C ATOM 2356 C LEU B 113 3.286 -27.352 36.863 1.00 23.68 C ATOM 2357 O LEU B 113 3.149 -27.541 35.654 1.00 26.22 O ATOM 2358 CB LEU B 113 5.306 -26.142 37.765 1.00 21.73 C ATOM 2359 CG LEU B 113 6.525 -26.036 38.692 1.00 28.85 C ATOM 2360 CD1 LEU B 113 7.712 -26.856 38.200 1.00 28.28 C ATOM 2361 CD2 LEU B 113 6.934 -24.584 38.869 1.00 23.99 C ATOM 2362 H LEU B 113 6.065 -27.861 35.909 1.00 0.00 H ATOM 2363 N PRO B 114 2.257 -27.023 37.659 1.00 24.99 N ATOM 2364 CA PRO B 114 0.943 -26.805 37.042 1.00 25.83 C ATOM 2365 C PRO B 114 0.963 -25.612 36.094 1.00 27.97 C ATOM 2366 O PRO B 114 1.429 -24.539 36.474 1.00 27.72 O ATOM 2367 CB PRO B 114 0.024 -26.539 38.240 1.00 28.68 C ATOM 2368 CG PRO B 114 0.735 -27.146 39.410 1.00 33.28 C ATOM 2369 CD PRO B 114 2.197 -26.948 39.128 1.00 26.29 C ATOM 2370 N LEU B 115 0.470 -25.810 34.875 1.00 25.53 N ATOM 2371 CA LEU B 115 0.447 -24.759 33.866 1.00 29.52 C ATOM 2372 C LEU B 115 -0.196 -23.484 34.405 1.00 31.05 C ATOM 2373 O LEU B 115 0.278 -22.383 34.141 1.00 30.18 O ATOM 2374 CB LEU B 115 -0.295 -25.244 32.618 1.00 25.40 C ATOM 2375 CG LEU B 115 -0.181 -24.418 31.337 1.00 26.81 C ATOM 2376 CD1 LEU B 115 1.261 -23.984 31.078 1.00 27.31 C ATOM 2377 CD2 LEU B 115 -0.715 -25.225 30.162 1.00 25.26 C ATOM 2378 H LEU B 115 0.088 -26.747 34.634 1.00 0.00 H ATOM 2379 N ALA B 116 -1.251 -23.644 35.198 1.00 25.39 N ATOM 2380 CA ALA B 116 -2.010 -22.509 35.713 1.00 28.52 C ATOM 2381 C ALA B 116 -1.227 -21.615 36.680 1.00 28.12 C ATOM 2382 O ALA B 116 -1.703 -20.540 37.049 1.00 31.17 O ATOM 2383 CB ALA B 116 -3.275 -23.006 36.387 1.00 28.58 C ATOM 2384 H ALA B 116 -1.544 -24.607 35.459 1.00 0.00 H ATOM 2385 N ARG B 117 -0.040 -22.043 37.096 1.00 25.71 N ATOM 2386 CA ARG B 117 0.743 -21.242 38.036 1.00 26.98 C ATOM 2387 C ARG B 117 1.649 -20.220 37.344 1.00 24.79 C ATOM 2388 O ARG B 117 2.205 -19.340 38.003 1.00 24.33 O ATOM 2389 CB ARG B 117 1.589 -22.142 38.943 1.00 28.78 C ATOM 2390 CG ARG B 117 0.803 -22.803 40.072 1.00 30.17 C ATOM 2391 CD ARG B 117 1.732 -23.411 41.115 1.00 29.14 C ATOM 2392 NE ARG B 117 2.602 -22.403 41.717 1.00 29.38 N ATOM 2393 CZ ARG B 117 3.884 -22.598 42.006 1.00 27.27 C ATOM 2394 NH1 ARG B 117 4.455 -23.769 41.749 1.00 28.38 N ATOM 2395 NH2 ARG B 117 4.596 -21.621 42.549 1.00 25.36 N ATOM 2396 HE ARG B 117 2.191 -21.472 41.933 1.00 0.00 H ATOM 2397 HH12 ARG B 117 5.459 -23.919 41.976 1.00 0.00 H ATOM 2398 HH11 ARG B 117 3.898 -24.536 41.321 1.00 0.00 H ATOM 2399 HH22 ARG B 117 5.600 -21.773 42.776 1.00 0.00 H ATOM 2400 HH21 ARG B 117 4.151 -20.702 42.749 1.00 0.00 H ATOM 2401 H ARG B 117 0.333 -22.951 36.752 1.00 0.00 H ATOM 2402 N VAL B 118 1.794 -20.324 36.026 1.00 22.90 N ATOM 2403 CA VAL B 118 2.692 -19.429 35.287 1.00 20.65 C ATOM 2404 C VAL B 118 2.119 -18.018 35.174 1.00 19.55 C ATOM 2405 O VAL B 118 0.997 -17.836 34.702 1.00 19.94 O ATOM 2406 CB VAL B 118 2.981 -19.961 33.871 1.00 20.12 C ATOM 2407 CG1 VAL B 118 3.915 -19.016 33.128 1.00 18.73 C ATOM 2408 CG2 VAL B 118 3.566 -21.353 33.941 1.00 20.76 C ATOM 2409 H VAL B 118 1.261 -21.053 35.510 1.00 0.00 H ATOM 2410 N ARG B 119 2.900 -17.023 35.590 1.00 20.26 N ATOM 2411 CA ARG B 119 2.416 -15.644 35.646 1.00 21.75 C ATOM 2412 C ARG B 119 3.174 -14.674 34.744 1.00 20.05 C ATOM 2413 O ARG B 119 2.623 -13.664 34.319 1.00 19.42 O ATOM 2414 CB ARG B 119 2.477 -15.121 37.084 1.00 25.48 C ATOM 2415 CG ARG B 119 1.592 -15.865 38.064 1.00 28.93 C ATOM 2416 CD ARG B 119 0.134 -15.796 37.654 1.00 30.97 C ATOM 2417 NE ARG B 119 -0.752 -16.025 38.795 1.00 40.85 N ATOM 2418 CZ ARG B 119 -1.112 -17.225 39.237 1.00 39.44 C ATOM 2419 NH1 ARG B 119 -0.664 -18.319 38.638 1.00 41.48 N ATOM 2420 NH2 ARG B 119 -1.924 -17.332 40.280 1.00 40.11 N ATOM 2421 HE ARG B 119 -1.125 -15.192 39.294 1.00 0.00 H ATOM 2422 HH12 ARG B 119 -0.948 -19.257 38.987 1.00 0.00 H ATOM 2423 HH11 ARG B 119 -0.028 -18.240 37.819 1.00 0.00 H ATOM 2424 HH22 ARG B 119 -2.206 -18.272 40.626 1.00 0.00 H ATOM 2425 HH21 ARG B 119 -2.279 -16.476 40.752 1.00 0.00 H ATOM 2426 H ARG B 119 3.876 -17.231 35.882 1.00 0.00 H ATOM 2427 N LEU B 120 4.441 -14.956 34.466 1.00 18.15 N ATOM 2428 CA LEU B 120 5.213 -14.037 33.643 1.00 18.24 C ATOM 2429 C LEU B 120 6.320 -14.721 32.869 1.00 19.42 C ATOM 2430 O LEU B 120 6.724 -15.844 33.184 1.00 18.38 O ATOM 2431 CB LEU B 120 5.812 -12.926 34.505 1.00 19.68 C ATOM 2432 CG LEU B 120 6.855 -13.318 35.551 1.00 20.97 C ATOM 2433 CD1 LEU B 120 8.262 -13.263 34.974 1.00 22.89 C ATOM 2434 CD2 LEU B 120 6.741 -12.399 36.752 1.00 26.41 C ATOM 2435 H LEU B 120 4.878 -15.826 34.833 1.00 0.00 H ATOM 2436 N VAL B 121 6.821 -14.012 31.867 1.00 13.87 N ATOM 2437 CA VAL B 121 7.964 -14.476 31.112 1.00 14.46 C ATOM 2438 C VAL B 121 9.154 -13.576 31.415 1.00 16.53 C ATOM 2439 O VAL B 121 9.030 -12.354 31.508 1.00 17.12 O ATOM 2440 CB VAL B 121 7.676 -14.509 29.596 1.00 15.86 C ATOM 2441 CG1 VAL B 121 7.146 -13.174 29.113 1.00 14.39 C ATOM 2442 CG2 VAL B 121 8.918 -14.914 28.821 1.00 13.89 C ATOM 2443 H VAL B 121 6.383 -13.102 31.618 1.00 0.00 H ATOM 2444 N GLU B 122 10.307 -14.203 31.592 1.00 15.71 N ATOM 2445 CA GLU B 122 11.534 -13.491 31.868 1.00 17.71 C ATOM 2446 C GLU B 122 12.582 -13.877 30.838 1.00 18.71 C ATOM 2447 O GLU B 122 12.771 -15.057 30.545 1.00 17.03 O ATOM 2448 CB GLU B 122 12.015 -13.801 33.282 1.00 18.13 C ATOM 2449 CG GLU B 122 13.350 -13.202 33.638 1.00 20.21 C ATOM 2450 CD GLU B 122 13.700 -13.457 35.086 1.00 29.07 C ATOM 2451 OE1 GLU B 122 14.133 -14.587 35.404 1.00 27.76 O ATOM 2452 OE2 GLU B 122 13.519 -12.533 35.909 1.00 32.29 O ATOM 2453 H GLU B 122 10.330 -15.241 31.530 1.00 0.00 H ATOM 2454 N VAL B 123 13.244 -12.876 30.272 1.00 17.51 N ATOM 2455 CA VAL B 123 14.299 -13.114 29.304 1.00 16.32 C ATOM 2456 C VAL B 123 15.579 -12.467 29.820 1.00 19.80 C ATOM 2457 O VAL B 123 15.645 -11.245 29.957 1.00 19.98 O ATOM 2458 CB VAL B 123 13.942 -12.549 27.916 1.00 17.52 C ATOM 2459 CG1 VAL B 123 15.051 -12.852 26.913 1.00 16.24 C ATOM 2460 CG2 VAL B 123 12.603 -13.106 27.439 1.00 15.47 C ATOM 2461 H VAL B 123 13.001 -11.898 30.528 1.00 0.00 H ATOM 2462 N GLY B 124 16.587 -13.285 30.118 1.00 19.78 N ATOM 2463 CA GLY B 124 17.826 -12.778 30.686 1.00 22.43 C ATOM 2464 C GLY B 124 19.084 -13.376 30.080 1.00 24.69 C ATOM 2465 O GLY B 124 19.024 -14.176 29.144 1.00 21.88 O ATOM 2466 H GLY B 124 16.486 -14.305 29.941 1.00 0.00 H ATOM 2467 N GLY B 125 20.235 -12.984 30.617 1.00 23.35 N ATOM 2468 CA GLY B 125 21.507 -13.460 30.108 1.00 24.16 C ATOM 2469 C GLY B 125 22.014 -12.618 28.951 1.00 22.89 C ATOM 2470 O GLY B 125 21.650 -11.452 28.818 1.00 23.97 O ATOM 2471 H GLY B 125 20.223 -12.322 31.419 1.00 0.00 H ATOM 2472 N ASP B 126 22.844 -13.218 28.104 1.00 20.09 N ATOM 2473 CA ASP B 126 23.482 -12.499 27.005 1.00 22.86 C ATOM 2474 C ASP B 126 22.639 -12.518 25.737 1.00 22.02 C ATOM 2475 O ASP B 126 22.825 -13.375 24.869 1.00 20.17 O ATOM 2476 CB ASP B 126 24.857 -13.092 26.708 1.00 21.33 C ATOM 2477 CG ASP B 126 25.796 -13.024 27.899 1.00 28.05 C ATOM 2478 OD1 ASP B 126 25.678 -12.077 28.705 1.00 25.47 O ATOM 2479 OD2 ASP B 126 26.653 -13.924 28.031 1.00 29.37 O ATOM 2480 H ASP B 126 23.045 -14.231 28.228 1.00 0.00 H ATOM 2481 N VAL B 127 21.729 -11.559 25.620 1.00 19.45 N ATOM 2482 CA VAL B 127 20.833 -11.508 24.472 1.00 18.52 C ATOM 2483 C VAL B 127 20.354 -10.080 24.234 1.00 20.23 C ATOM 2484 O VAL B 127 20.110 -9.329 25.181 1.00 21.18 O ATOM 2485 CB VAL B 127 19.620 -12.468 24.669 1.00 18.68 C ATOM 2486 CG1 VAL B 127 18.825 -12.092 25.904 1.00 18.20 C ATOM 2487 CG2 VAL B 127 18.727 -12.494 23.431 1.00 19.54 C ATOM 2488 H VAL B 127 21.654 -10.832 26.360 1.00 0.00 H ATOM 2489 N GLN B 128 20.265 -9.700 22.964 1.00 20.01 N ATOM 2490 CA GLN B 128 19.622 -8.456 22.570 1.00 21.51 C ATOM 2491 C GLN B 128 18.178 -8.757 22.195 1.00 19.97 C ATOM 2492 O GLN B 128 17.921 -9.386 21.173 1.00 20.62 O ATOM 2493 CB GLN B 128 20.351 -7.803 21.394 1.00 21.53 C ATOM 2494 CG GLN B 128 19.591 -6.641 20.760 1.00 27.32 C ATOM 2495 CD GLN B 128 20.253 -6.123 19.494 1.00 31.81 C ATOM 2496 OE1 GLN B 128 19.635 -6.085 18.429 1.00 32.59 O ATOM 2497 NE2 GLN B 128 21.517 -5.721 19.606 1.00 32.36 N ATOM 2498 HE22 GLN B 128 21.999 -5.771 20.526 1.00 0.00 H ATOM 2499 HE21 GLN B 128 22.022 -5.357 18.773 1.00 0.00 H ATOM 2500 H GLN B 128 20.669 -10.313 22.227 1.00 0.00 H ATOM 2501 N LEU B 129 17.241 -8.317 23.024 1.00 18.17 N ATOM 2502 CA LEU B 129 15.836 -8.616 22.799 1.00 18.03 C ATOM 2503 C LEU B 129 15.209 -7.584 21.870 1.00 20.67 C ATOM 2504 O LEU B 129 15.302 -6.379 22.111 1.00 21.57 O ATOM 2505 CB LEU B 129 15.087 -8.666 24.133 1.00 20.74 C ATOM 2506 CG LEU B 129 13.584 -8.919 24.075 1.00 19.31 C ATOM 2507 CD1 LEU B 129 13.301 -10.314 23.557 1.00 18.17 C ATOM 2508 CD2 LEU B 129 12.973 -8.721 25.447 1.00 19.61 C ATOM 2509 H LEU B 129 17.516 -7.748 23.850 1.00 0.00 H ATOM 2510 N ASP B 130 14.587 -8.055 20.795 1.00 18.28 N ATOM 2511 CA ASP B 130 13.911 -7.151 19.872 1.00 17.76 C ATOM 2512 C ASP B 130 12.441 -6.993 20.265 1.00 19.84 C ATOM 2513 O ASP B 130 11.932 -5.872 20.362 1.00 17.68 O ATOM 2514 CB ASP B 130 14.038 -7.655 18.433 1.00 20.33 C ATOM 2515 CG ASP B 130 15.486 -7.760 17.977 1.00 26.80 C ATOM 2516 OD1 ASP B 130 16.338 -6.982 18.472 1.00 26.37 O ATOM 2517 OD2 ASP B 130 15.776 -8.627 17.125 1.00 27.89 O ATOM 2518 H ASP B 130 14.582 -9.078 20.610 1.00 0.00 H ATOM 2519 N SER B 131 11.769 -8.115 20.508 1.00 15.68 N ATOM 2520 CA SER B 131 10.373 -8.076 20.926 1.00 16.42 C ATOM 2521 C SER B 131 9.896 -9.368 21.594 1.00 15.35 C ATOM 2522 O SER B 131 10.381 -10.462 21.302 1.00 12.71 O ATOM 2523 CB SER B 131 9.478 -7.761 19.728 1.00 16.75 C ATOM 2524 OG SER B 131 9.543 -8.785 18.753 1.00 16.19 O ATOM 2525 HG SER B 131 9.244 -9.640 19.153 1.00 0.00 H ATOM 2526 H SER B 131 12.246 -9.033 20.398 1.00 0.00 H ATOM 2527 N VAL B 132 8.945 -9.214 22.505 1.00 15.36 N ATOM 2528 CA VAL B 132 8.221 -10.334 23.089 1.00 14.18 C ATOM 2529 C VAL B 132 6.735 -10.123 22.832 1.00 16.20 C ATOM 2530 O VAL B 132 6.158 -9.128 23.267 1.00 16.99 O ATOM 2531 CB VAL B 132 8.463 -10.466 24.610 1.00 18.01 C ATOM 2532 CG1 VAL B 132 7.624 -11.599 25.181 1.00 16.57 C ATOM 2533 CG2 VAL B 132 9.938 -10.689 24.910 1.00 17.58 C ATOM 2534 H VAL B 132 8.706 -8.251 22.816 1.00 0.00 H ATOM 2535 N ARG B 133 6.120 -11.046 22.105 1.00 15.22 N ATOM 2536 CA ARG B 133 4.691 -10.970 21.837 1.00 16.23 C ATOM 2537 C ARG B 133 4.018 -12.193 22.424 1.00 18.92 C ATOM 2538 O ARG B 133 4.572 -13.296 22.384 1.00 16.25 O ATOM 2539 CB ARG B 133 4.412 -10.877 20.334 1.00 21.45 C ATOM 2540 CG ARG B 133 5.022 -9.666 19.643 1.00 23.08 C ATOM 2541 CD ARG B 133 4.067 -8.479 19.643 1.00 26.50 C ATOM 2542 NE ARG B 133 4.683 -7.289 19.067 1.00 28.58 N ATOM 2543 CZ ARG B 133 5.412 -6.427 19.766 1.00 24.46 C ATOM 2544 NH1 ARG B 133 5.608 -6.637 21.058 1.00 18.78 N ATOM 2545 NH2 ARG B 133 5.946 -5.362 19.178 1.00 26.74 N ATOM 2546 HE ARG B 133 4.544 -7.106 18.053 1.00 0.00 H ATOM 2547 HH12 ARG B 133 6.178 -5.967 21.613 1.00 0.00 H ATOM 2548 HH11 ARG B 133 5.192 -7.472 21.518 1.00 0.00 H ATOM 2549 HH22 ARG B 133 6.516 -4.692 19.733 1.00 0.00 H ATOM 2550 HH21 ARG B 133 5.794 -5.198 18.162 1.00 0.00 H ATOM 2551 H ARG B 133 6.669 -11.840 21.719 1.00 0.00 H ATOM 2552 N ILE B 134 2.829 -12.003 22.982 1.00 14.72 N ATOM 2553 CA ILE B 134 2.085 -13.126 23.525 1.00 17.86 C ATOM 2554 C ILE B 134 0.751 -13.258 22.797 1.00 18.71 C ATOM 2555 O ILE B 134 -0.048 -12.325 22.770 1.00 19.49 O ATOM 2556 CB ILE B 134 1.864 -12.968 25.044 1.00 17.19 C ATOM 2557 CG1 ILE B 134 3.212 -12.793 25.746 1.00 19.88 C ATOM 2558 CG2 ILE B 134 1.125 -14.177 25.607 1.00 18.64 C ATOM 2559 CD1 ILE B 134 3.115 -12.554 27.233 1.00 22.41 C ATOM 2560 H ILE B 134 2.428 -11.045 23.031 1.00 0.00 H ATOM 2561 N PHE B 135 0.521 -14.417 22.192 1.00 18.32 N ATOM 2562 CA PHE B 135 -0.717 -14.651 21.458 1.00 18.61 C ATOM 2563 C PHE B 135 -1.549 -15.733 22.129 1.00 22.17 C ATOM 2564 O PHE B 135 -1.033 -16.535 22.911 1.00 18.77 O ATOM 2565 CB PHE B 135 -0.422 -15.043 20.009 1.00 18.65 C ATOM 2566 CG PHE B 135 0.391 -14.029 19.260 1.00 18.50 C ATOM 2567 CD1 PHE B 135 -0.146 -12.793 18.934 1.00 19.07 C ATOM 2568 CD2 PHE B 135 1.683 -14.318 18.861 1.00 20.73 C ATOM 2569 CE1 PHE B 135 0.594 -11.865 18.240 1.00 20.43 C ATOM 2570 CE2 PHE B 135 2.427 -13.390 18.162 1.00 19.56 C ATOM 2571 CZ PHE B 135 1.883 -12.163 17.855 1.00 22.08 C ATOM 2572 OXT PHE B 135 -2.756 -15.829 21.901 1.00 25.81 O ATOM 2573 H PHE B 135 1.236 -15.171 22.242 1.00 0.00 H TER 2574 PHE B 135 HETATM 2575 O HOH 1 5.070 -15.838 -12.719 1.00 33.53 O HETATM 2576 O HOH 2 -3.836 -13.852 20.131 1.00 24.70 O HETATM 2577 O HOH 3 0.162 -36.725 19.846 1.00 32.57 O HETATM 2578 O HOH 4 -11.139 -28.433 22.287 1.00 32.75 O HETATM 2579 O HOH 5 2.245 -41.184 15.923 1.00 24.04 O HETATM 2580 O HOH 6 4.682 -26.455 1.978 1.00 28.42 O HETATM 2581 O HOH 7 -2.352 -16.174 -8.391 1.00 34.82 O HETATM 2582 O HOH 8 -9.668 -29.398 24.333 1.00 33.91 O HETATM 2583 O HOH 9 -6.931 -33.718 15.155 1.00 17.32 O HETATM 2584 O HOH 10 -20.023 -17.807 15.090 1.00 25.71 O HETATM 2585 O HOH 11 -6.946 -33.098 19.330 1.00 27.40 O HETATM 2586 O HOH 12 -17.857 -32.708 3.788 1.00 22.06 O HETATM 2587 O HOH 13 -4.548 -37.566 6.941 1.00 28.69 O HETATM 2588 O HOH 14 -0.658 -8.840 6.726 1.00 19.75 O HETATM 2589 O HOH 15 9.488 -19.170 5.853 1.00 23.30 O HETATM 2590 O HOH 16 -12.724 -37.125 6.608 1.00 20.93 O HETATM 2591 O HOH 17 -1.740 -41.704 13.132 1.00 27.74 O HETATM 2592 O HOH 18 -10.943 -2.741 0.311 1.00 28.35 O HETATM 2593 O HOH 19 -16.926 -11.714 0.189 1.00 8.36 O HETATM 2594 O HOH 20 -26.094 -28.502 2.671 1.00 22.18 O HETATM 2595 O HOH 21 5.220 -39.574 17.570 1.00 26.88 O HETATM 2596 O HOH 22 -10.610 -37.395 10.665 1.00 15.91 O HETATM 2597 O HOH 23 -7.322 -36.930 13.365 1.00 19.80 O HETATM 2598 O HOH 24 6.554 -29.770 14.175 1.00 21.64 O HETATM 2599 O HOH 25 -22.052 -27.205 8.742 1.00 25.41 O HETATM 2600 O HOH 26 6.026 -20.861 7.968 1.00 11.48 O HETATM 2601 O HOH 27 -12.946 -6.925 -6.944 1.00 28.22 O HETATM 2602 O HOH 28 -14.920 -9.466 13.009 1.00 26.41 O HETATM 2603 O HOH 29 -3.441 -36.312 18.986 1.00 33.89 O HETATM 2604 O HOH 30 5.178 -28.395 6.491 1.00 27.57 O HETATM 2605 O HOH 31 -20.188 -26.915 10.629 1.00 18.66 O HETATM 2606 O HOH 32 5.060 -11.460 11.492 1.00 26.06 O HETATM 2607 O HOH 33 -13.564 -9.358 6.798 1.00 14.68 O HETATM 2608 O HOH 34 -25.658 -31.503 6.485 1.00 32.38 O HETATM 2609 O HOH 35 -19.691 -30.952 15.708 1.00 32.83 O HETATM 2610 O HOH 36 -18.168 -20.172 3.506 1.00 10.13 O HETATM 2611 O HOH 37 -15.158 -35.590 5.539 1.00 19.71 O HETATM 2612 O HOH 38 -15.010 -14.390 17.501 1.00 24.07 O HETATM 2613 O HOH 39 -1.171 -41.621 9.014 1.00 24.43 O HETATM 2614 O HOH 40 -13.232 -10.668 15.391 1.00 27.91 O HETATM 2615 O HOH 41 -9.438 -33.346 1.438 1.00 19.45 O HETATM 2616 O HOH 42 6.055 -13.722 4.616 1.00 17.55 O HETATM 2617 O HOH 43 -12.185 -27.631 15.404 1.00 11.46 O HETATM 2618 O HOH 44 -17.390 -20.813 15.534 1.00 15.55 O HETATM 2619 O HOH 45 -19.143 -23.572 18.311 1.00 28.85 O HETATM 2620 O HOH 46 -0.147 -34.655 13.556 1.00 24.28 O HETATM 2621 O HOH 47 -1.045 -20.896 -10.443 1.00 25.40 O HETATM 2622 O HOH 48 -20.094 -15.226 1.392 1.00 11.40 O HETATM 2623 O HOH 49 -6.478 -5.808 0.121 1.00 17.88 O HETATM 2624 O HOH 50 3.758 -32.015 1.975 1.00 26.65 O HETATM 2625 O HOH 51 -24.664 -26.620 7.916 1.00 26.00 O HETATM 2626 O HOH 52 -14.184 -26.489 14.208 1.00 12.22 O HETATM 2627 O HOH 53 -16.141 -18.008 16.827 1.00 16.36 O HETATM 2628 O HOH 54 -13.588 -29.563 1.617 1.00 24.25 O HETATM 2629 O HOH 55 5.989 -28.450 9.907 1.00 19.81 O HETATM 2630 O HOH 56 -9.925 -3.791 5.314 1.00 21.85 O HETATM 2631 O HOH 57 -16.387 -34.408 10.654 1.00 25.98 O HETATM 2632 O HOH 58 2.081 -13.073 12.388 1.00 23.12 O HETATM 2633 O HOH 59 4.295 -36.695 19.055 1.00 29.57 O HETATM 2634 O HOH 60 -3.962 -8.819 12.223 1.00 27.45 O HETATM 2635 O HOH 61 0.481 -8.221 4.221 1.00 17.05 O HETATM 2636 O HOH 62 -15.264 -24.279 22.163 1.00 27.58 O HETATM 2637 O HOH 63 -5.108 -5.674 -2.167 1.00 17.62 O HETATM 2638 O HOH 64 -8.896 -6.426 -0.645 1.00 20.80 O HETATM 2639 O HOH 65 -15.788 -19.635 1.470 1.00 16.70 O HETATM 2640 O HOH 66 -20.557 -28.965 -0.089 1.00 31.15 O HETATM 2641 O HOH 67 -20.194 -13.350 8.441 1.00 21.51 O HETATM 2642 O HOH 68 6.515 -25.274 3.360 1.00 14.56 O HETATM 2643 O HOH 69 -11.888 -38.040 -3.265 1.00 31.90 O HETATM 2644 O HOH 70 -16.253 -7.989 6.093 1.00 26.36 O HETATM 2645 O HOH 71 -22.631 -22.532 11.878 1.00 15.11 O HETATM 2646 O HOH 72 7.585 -14.281 2.214 1.00 21.56 O HETATM 2647 O HOH 73 -3.909 -21.854 -8.110 1.00 28.51 O HETATM 2648 O HOH 74 -11.054 -7.964 -7.890 1.00 27.13 O HETATM 2649 O HOH 75 -19.728 -18.585 0.371 1.00 23.57 O HETATM 2650 O HOH 76 -11.118 -33.170 20.025 1.00 21.01 O HETATM 2651 O HOH 77 -0.654 -9.579 2.197 1.00 10.83 O HETATM 2652 O HOH 78 1.348 -10.407 7.965 1.00 10.66 O HETATM 2653 O HOH 79 -16.523 -8.452 10.670 1.00 32.79 O HETATM 2654 O HOH 80 -10.169 -26.273 -1.616 1.00 30.35 O HETATM 2655 O HOH 81 -13.457 -19.572 -1.389 1.00 26.17 O HETATM 2656 O HOH 82 -7.868 -32.152 -0.173 1.00 30.07 O HETATM 2657 O HOH 83 -12.022 -12.476 17.902 1.00 26.22 O HETATM 2658 O HOH 84 2.872 -29.599 0.342 1.00 26.77 O HETATM 2659 O HOH 85 -11.414 -24.359 -0.208 1.00 21.64 O HETATM 2660 O HOH 86 -13.219 -5.097 -2.704 1.00 22.38 O HETATM 2661 O HOH 87 -12.446 -29.903 20.198 1.00 24.62 O HETATM 2662 O HOH 88 -1.527 -21.836 -4.029 1.00 20.19 O HETATM 2663 O HOH 89 -6.366 -4.001 -5.257 1.00 29.59 O HETATM 2664 O HOH 90 -4.464 -23.959 -5.519 1.00 20.85 O HETATM 2665 O HOH 91 -14.855 -19.018 -3.101 1.00 26.74 O HETATM 2666 O HOH 92 9.959 -16.462 5.673 1.00 25.86 O HETATM 2667 O HOH 93 -6.319 -34.377 -0.812 1.00 31.75 O HETATM 2668 O HOH 94 -17.134 -26.129 20.886 1.00 35.32 O HETATM 2669 O HOH 95 -18.781 -26.016 -1.813 1.00 29.93 O HETATM 2670 O HOH 96 -9.727 -11.704 18.258 1.00 26.54 O HETATM 2671 O HOH 97 -12.855 -4.389 4.610 1.00 27.51 O HETATM 2672 O HOH 98 11.411 -17.779 11.968 1.00 27.06 O HETATM 2673 O HOH 99 6.646 -23.246 -0.804 1.00 25.92 O HETATM 2674 O HOH 100 5.502 -30.568 10.949 1.00 28.82 O HETATM 2675 O HOH 101 -24.316 -35.260 2.900 1.00 42.49 O HETATM 2676 O HOH 102 -5.169 -20.129 24.356 1.00 29.99 O HETATM 2677 O HOH 103 -3.124 -13.818 -8.956 1.00 23.49 O HETATM 2678 O HOH 104 -8.063 -20.308 24.821 1.00 37.06 O HETATM 2679 O HOH 105 -12.850 -26.791 1.970 1.00 24.61 O HETATM 2680 O HOH 106 -0.808 -4.255 -6.149 1.00 30.52 O HETATM 2681 O HOH 107 -8.656 -4.749 -2.205 1.00 46.39 O HETATM 2682 O HOH 108 4.559 -17.771 -14.875 1.00 37.46 O HETATM 2683 O HOH 109 3.346 -35.860 7.934 1.00 35.86 O HETATM 2684 O HOH 110 0.270 -33.606 17.623 1.00 29.64 O HETATM 2685 O HOH 111 4.037 -28.435 -2.332 1.00 38.71 O HETATM 2686 O HOH 112 -22.265 -20.766 14.099 1.00 28.31 O HETATM 2687 O HOH 113 7.827 -6.026 15.917 1.00 32.10 O HETATM 2688 O HOH 114 -1.185 -7.160 8.597 1.00 24.50 O HETATM 2689 O HOH 115 -6.166 -6.952 13.370 1.00 27.66 O HETATM 2690 O HOH 116 -0.382 -39.334 7.540 1.00 28.23 O HETATM 2691 O HOH 117 -14.981 -22.537 -0.575 1.00 29.02 O HETATM 2692 O HOH 118 1.267 -10.430 -12.185 1.00 25.88 O HETATM 2693 O HOH 119 -13.506 -25.140 0.586 1.00 26.04 O HETATM 2694 O HOH 120 -19.066 -21.501 1.440 1.00 20.03 O HETATM 2695 O HOH 121 4.071 -33.914 17.309 1.00 29.87 O HETATM 2696 O HOH 122 -19.200 -21.299 16.927 1.00 22.25 O HETATM 2697 O HOH 123 -9.057 -3.586 -4.220 1.00 36.48 O HETATM 2698 O HOH 124 0.773 -5.762 4.164 1.00 30.82 O HETATM 2699 O HOH 125 2.087 -33.208 18.989 1.00 34.09 O HETATM 2700 O HOH 126 -23.707 -40.557 4.625 1.00 35.63 O HETATM 2701 O HOH 127 -12.588 -22.257 -1.314 1.00 30.30 O HETATM 2702 O HOH 128 6.501 -10.944 5.722 1.00 28.64 O HETATM 2703 O HOH 129 -4.799 -3.964 -3.687 1.00 31.08 O HETATM 2704 O HOH 130 9.635 -12.409 2.360 1.00 26.80 O HETATM 2705 O HOH 131 -22.305 -25.080 12.102 1.00 23.50 O HETATM 2706 O HOH 132 3.527 -8.941 8.305 1.00 26.94 O HETATM 2707 O HOH 133 -16.017 -6.765 12.869 1.00 35.59 O HETATM 2708 O HOH 134 -17.018 -21.095 -0.432 1.00 25.74 O HETATM 2709 O HOH 135 2.086 -32.445 13.851 1.00 28.57 O HETATM 2710 O HOH 136 4.739 -15.703 -15.784 1.00 32.55 O HETATM 2711 O HOH 137 3.249 -35.408 12.929 1.00 31.20 O HETATM 2712 O HOH 138 4.139 -33.586 11.538 1.00 33.87 O HETATM 2713 O HOH 139 -9.490 -1.920 -5.714 1.00 45.59 O HETATM 2714 O HOH 140 4.797 -34.643 14.146 1.00 31.57 O HETATM 2715 O HOH 141 -25.121 -19.536 14.314 1.00 29.84 O HETATM 2716 O HOH 142 -24.539 -25.898 11.191 1.00 26.82 O HETATM 2717 O HOH 143 -12.885 -36.501 19.946 1.00 32.32 O HETATM 2718 O HOH 144 -7.579 -28.638 31.539 1.00 45.99 O HETATM 2719 O HOH 145 -17.693 -24.219 -4.027 1.00 40.35 O HETATM 2720 O HOH 146 -15.169 -4.943 14.669 1.00 38.14 O HETATM 2721 O HOH 147 9.041 -10.479 4.497 1.00 32.61 O HETATM 2722 O HOH 148 7.671 -13.628 12.820 1.00 30.33 O HETATM 2723 O HOH 149 12.004 -19.101 10.079 1.00 26.71 O HETATM 2724 O HOH 150 19.990 -39.461 32.613 1.00 33.88 O HETATM 2725 O HOH 151 2.648 -30.730 37.565 1.00 34.17 O HETATM 2726 O HOH 152 10.945 -29.018 39.165 1.00 31.82 O HETATM 2727 O HOH 153 6.564 -11.144 16.857 1.00 25.82 O HETATM 2728 O HOH 154 28.604 -29.885 38.033 1.00 25.39 O HETATM 2729 O HOH 155 10.081 -14.005 39.861 1.00 30.87 O HETATM 2730 O HOH 156 20.553 -30.071 22.158 1.00 36.91 O HETATM 2731 O HOH 157 1.938 -8.750 28.830 1.00 28.87 O HETATM 2732 O HOH 158 11.717 -21.487 43.279 1.00 34.56 O HETATM 2733 O HOH 159 -6.752 -24.146 25.684 1.00 26.49 O HETATM 2734 O HOH 160 15.438 -10.012 15.105 1.00 25.37 O HETATM 2735 O HOH 161 14.714 -19.889 8.777 1.00 26.43 O HETATM 2736 O HOH 162 9.885 -32.294 31.722 1.00 19.47 O HETATM 2737 O HOH 163 6.395 -6.287 29.183 1.00 26.85 O HETATM 2738 O HOH 164 15.936 -4.483 18.683 1.00 31.02 O HETATM 2739 O HOH 165 3.058 -33.898 30.552 1.00 30.72 O HETATM 2740 O HOH 166 26.399 -21.492 18.085 1.00 26.41 O HETATM 2741 O HOH 167 -1.721 -14.552 28.700 1.00 30.01 O HETATM 2742 O HOH 168 8.260 -18.680 14.045 1.00 22.19 O HETATM 2743 O HOH 169 6.096 -16.496 13.964 1.00 22.01 O HETATM 2744 O HOH 170 24.611 -25.226 39.495 1.00 30.67 O HETATM 2745 O HOH 171 6.109 -30.282 16.445 1.00 25.37 O HETATM 2746 O HOH 172 -1.237 -10.477 21.349 1.00 32.88 O HETATM 2747 O HOH 173 24.606 -9.709 29.082 1.00 32.65 O HETATM 2748 O HOH 174 4.167 -26.314 33.161 1.00 21.02 O HETATM 2749 O HOH 175 9.796 -7.625 16.375 1.00 28.38 O HETATM 2750 O HOH 176 4.651 -9.734 48.632 1.00 40.89 O HETATM 2751 O HOH 177 -2.739 -16.227 24.955 1.00 28.44 O HETATM 2752 O HOH 178 -1.331 -19.045 34.122 1.00 32.21 O HETATM 2753 O HOH 179 9.245 -28.936 13.662 1.00 15.86 O HETATM 2754 O HOH 180 15.662 -19.053 43.172 1.00 41.78 O HETATM 2755 O HOH 181 1.728 -31.276 22.515 1.00 29.54 O HETATM 2756 O HOH 182 11.546 -19.910 6.821 1.00 24.13 O HETATM 2757 O HOH 183 8.346 -11.209 18.902 1.00 15.11 O HETATM 2758 O HOH 184 9.952 -31.959 19.414 1.00 21.88 O HETATM 2759 O HOH 185 18.999 -40.419 36.778 1.00 19.43 O HETATM 2760 O HOH 186 6.446 -27.220 34.044 1.00 19.90 O HETATM 2761 O HOH 187 0.183 -12.940 35.387 1.00 29.27 O HETATM 2762 O HOH 188 5.840 -34.161 35.217 1.00 30.92 O HETATM 2763 O HOH 189 15.317 -10.542 36.597 1.00 34.18 O HETATM 2764 O HOH 190 22.704 -20.461 32.470 1.00 30.60 O HETATM 2765 O HOH 191 14.461 -12.054 14.650 1.00 22.27 O HETATM 2766 O HOH 192 10.438 -19.693 15.132 1.00 17.84 O HETATM 2767 O HOH 193 18.130 -19.338 15.539 1.00 21.72 O HETATM 2768 O HOH 194 31.262 -13.911 27.316 1.00 33.85 O HETATM 2769 O HOH 195 10.004 -33.416 28.341 1.00 21.15 O HETATM 2770 O HOH 196 -0.914 -10.212 24.396 1.00 27.59 O HETATM 2771 O HOH 197 8.592 -6.557 23.355 1.00 17.89 O HETATM 2772 O HOH 198 16.576 -37.788 38.430 1.00 26.80 O HETATM 2773 O HOH 199 15.350 -23.769 11.830 1.00 20.05 O HETATM 2774 O HOH 200 21.213 -16.959 16.954 1.00 18.81 O HETATM 2775 O HOH 201 27.711 -13.980 13.022 1.00 26.45 O HETATM 2776 O HOH 202 12.058 -34.801 32.934 1.00 27.86 O HETATM 2777 O HOH 203 28.143 -19.168 17.942 1.00 27.71 O HETATM 2778 O HOH 204 -5.008 -34.118 23.210 1.00 29.86 O HETATM 2779 O HOH 205 15.123 -25.694 15.562 1.00 22.52 O HETATM 2780 O HOH 206 13.875 -33.015 21.446 1.00 21.74 O HETATM 2781 O HOH 207 9.388 -28.031 10.696 1.00 27.50 O HETATM 2782 O HOH 208 21.904 -17.693 31.300 1.00 25.43 O HETATM 2783 O HOH 209 6.840 -19.812 43.273 1.00 30.04 O HETATM 2784 O HOH 210 -4.356 -20.171 33.561 1.00 30.83 O HETATM 2785 O HOH 211 12.769 -28.981 41.162 1.00 36.58 O HETATM 2786 O HOH 212 19.825 -18.020 14.619 1.00 24.91 O HETATM 2787 O HOH 213 25.472 -26.701 17.462 1.00 32.50 O HETATM 2788 O HOH 214 18.016 -22.056 14.148 1.00 29.28 O HETATM 2789 O HOH 215 13.604 -34.964 27.275 1.00 27.32 O HETATM 2790 O HOH 216 15.615 -18.541 14.590 1.00 12.35 O HETATM 2791 O HOH 217 20.910 -27.199 37.634 1.00 28.29 O HETATM 2792 O HOH 218 7.406 -37.516 24.807 1.00 30.70 O HETATM 2793 O HOH 219 13.094 -4.598 17.880 1.00 27.61 O HETATM 2794 O HOH 220 -7.694 -15.682 31.816 1.00 43.40 O HETATM 2795 O HOH 221 17.791 -7.119 25.780 1.00 26.20 O HETATM 2796 O HOH 222 20.529 -11.389 33.249 1.00 32.98 O HETATM 2797 O HOH 223 -0.547 -28.542 33.837 1.00 29.88 O HETATM 2798 O HOH 224 2.389 -39.051 24.412 1.00 29.96 O HETATM 2799 O HOH 225 19.328 -9.459 29.336 1.00 32.04 O HETATM 2800 O HOH 226 17.213 -9.288 28.061 1.00 27.01 O HETATM 2801 O HOH 227 5.849 -3.114 16.925 1.00 29.06 O HETATM 2802 O HOH 228 16.683 -24.431 14.182 1.00 25.46 O HETATM 2803 O HOH 229 0.604 -31.536 18.287 1.00 28.48 O HETATM 2804 O HOH 230 13.517 -5.189 24.564 1.00 19.44 O HETATM 2805 O HOH 231 18.658 -29.949 24.316 1.00 27.77 O HETATM 2806 O HOH 232 19.398 -25.521 42.851 1.00 39.30 O HETATM 2807 O HOH 233 3.718 -35.420 22.969 1.00 31.92 O HETATM 2808 O HOH 234 8.149 -33.648 18.356 1.00 23.90 O HETATM 2809 O HOH 235 17.205 -31.625 25.008 1.00 34.76 O HETATM 2810 O HOH 236 19.685 -32.137 21.983 1.00 34.81 O HETATM 2811 O HOH 237 15.703 -28.257 15.407 1.00 26.81 O HETATM 2812 O HOH 238 17.711 -31.663 19.274 1.00 33.52 O HETATM 2813 O HOH 239 12.017 -32.852 18.757 1.00 28.00 O HETATM 2814 O HOH 240 11.229 -10.253 11.499 1.00 39.83 O HETATM 2815 O HOH 241 8.980 -34.852 32.478 1.00 25.54 O HETATM 2816 O HOH 242 8.727 -34.341 20.335 1.00 23.18 O HETATM 2817 O HOH 243 19.947 -27.219 44.373 1.00 40.28 O HETATM 2818 O HOH 244 15.994 -35.008 27.478 1.00 35.51 O HETATM 2819 O HOH 245 23.605 -35.250 30.838 1.00 43.87 O HETATM 2820 O HOH 246 -5.250 -25.175 31.056 1.00 34.84 O HETATM 2821 O HOH 247 5.804 -35.747 21.729 1.00 33.31 O HETATM 2822 O HOH 248 8.911 -33.019 15.978 1.00 30.43 O HETATM 2823 O HOH 249 11.457 -6.006 15.605 1.00 35.49 O HETATM 2824 O HOH 250 24.916 -25.582 42.601 1.00 30.82 O HETATM 2825 O HOH 251 19.962 -35.131 21.916 1.00 35.41 O HETATM 2826 O HOH 252 21.544 -35.656 19.843 1.00 36.17 O HETATM 2827 O HOH 253 12.119 -12.078 9.457 1.00 50.02 O HETATM 2828 O HOH 254 10.491 -25.719 54.750 1.00 44.57 O HETATM 2829 O HOH 255 18.000 -34.361 21.024 1.00 47.33 O HETATM 2830 O HOH 256 20.377 -38.044 19.362 1.00 36.34 O HETATM 2831 C1 TD A 2 24.094 -26.675 36.075 1.00 0.14 C HETATM 2832 C2 TD A 2 24.824 -27.531 35.062 1.00 0.13 C HETATM 2833 C3 TD A 2 24.951 -28.940 35.483 1.00 0.15 C HETATM 2834 C4 TD A 2 25.473 -29.113 36.851 1.00 0.12 C HETATM 2835 C5 TD A 2 24.710 -28.293 37.873 1.00 0.11 C HETATM 2836 C6 TD A 2 25.366 -28.341 39.190 1.00 0.07 C HETATM 2837 O6 TD A 2 24.954 -29.496 39.827 1.00 -0.39 O HETATM 2838 H13 TD A 2 25.366 -29.549 40.682 1.00 0.21 H HETATM 2839 H6 TD A 2 25.076 -27.462 39.785 1.00 0.06 H HETATM 2840 H7 TD A 2 26.459 -28.353 39.063 1.00 0.06 H HETATM 2841 O5 TD A 2 24.453 -26.894 37.488 1.00 -0.36 O HETATM 2842 H5 TD A 2 23.726 -28.773 37.980 1.00 0.06 H HETATM 2843 O4 TD A 2 26.830 -28.705 36.876 1.00 -0.39 O HETATM 2844 H16 TD A 2 27.188 -28.851 37.744 1.00 0.21 H HETATM 2845 H4 TD A 2 25.402 -30.176 37.124 1.00 0.07 H HETATM 2846 N71 TD A 2 25.735 -29.697 34.493 1.00 -0.16 N HETATM 2847 N8 TD A 2 26.770 -29.200 33.781 1.00 -0.09 N HETATM 2848 N9 TD A 2 27.257 -30.109 32.986 1.00 -0.22 N HETATM 2849 C10 TD A 2 26.547 -31.256 33.146 1.00 0.07 C HETATM 2850 C71 TD A 2 25.533 -30.967 34.152 1.00 0.09 C HETATM 2851 H23 TD A 2 24.774 -31.644 34.541 1.00 0.11 H HETATM 2852 C22 TD A 2 26.777 -32.562 32.417 1.00 -0.02 C HETATM 2853 C23 TD A 2 26.364 -33.785 32.994 1.00 -0.06 C HETATM 2854 C24 TD A 2 26.585 -34.994 32.309 1.00 -0.07 C HETATM 2855 C25 TD A 2 27.205 -34.983 31.077 1.00 -0.03 C HETATM 2856 C26 TD A 2 27.612 -33.778 30.512 1.00 0.13 C HETATM 2857 C27 TD A 2 27.386 -32.552 31.207 1.00 -0.03 C HETATM 2858 H30 TD A 2 27.702 -31.613 30.767 1.00 0.06 H HETATM 2859 F28 TD A 2 28.221 -33.761 29.304 1.00 -0.18 F HETATM 2860 H29 TD A 2 27.375 -35.914 30.548 1.00 0.06 H HETATM 2861 H28 TD A 2 26.268 -35.933 32.749 1.00 0.06 H HETATM 2862 H27 TD A 2 25.878 -33.791 33.963 1.00 0.05 H HETATM 2863 H3 TD A 2 23.936 -29.363 35.483 1.00 0.07 H HETATM 2864 O21 TD A 2 24.188 -27.455 33.793 1.00 -0.38 O HETATM 2865 H21 TD A 2 23.323 -27.843 33.850 1.00 0.21 H HETATM 2866 H2 TD A 2 25.840 -27.124 34.958 1.00 0.07 H HETATM 2867 S1 TD A 2 24.282 -24.975 35.691 1.00 -0.09 S HETATM 2868 C11 TD A 2 22.729 -24.270 36.147 1.00 0.14 C HETATM 2869 O51 TD A 2 21.667 -24.988 35.382 1.00 -0.36 O HETATM 2870 C51 TD A 2 20.328 -24.475 35.704 1.00 0.11 C HETATM 2871 C61 TD A 2 19.345 -25.182 34.821 1.00 0.07 C HETATM 2872 O61 TD A 2 19.443 -26.557 35.093 1.00 -0.39 O HETATM 2873 H14 TD A 2 20.327 -26.853 34.909 1.00 0.21 H HETATM 2874 H11 TD A 2 19.584 -24.991 33.764 1.00 0.06 H HETATM 2875 H12 TD A 2 18.326 -24.829 35.036 1.00 0.06 H HETATM 2876 C41 TD A 2 20.286 -22.983 35.505 1.00 0.12 C HETATM 2877 O41 TD A 2 20.560 -22.676 34.092 1.00 -0.39 O HETATM 2878 H17 TD A 2 19.902 -23.090 33.546 1.00 0.21 H HETATM 2879 C31 TD A 2 21.324 -22.330 36.339 1.00 0.15 C HETATM 2880 C21 TD A 2 22.686 -22.789 35.964 1.00 0.13 C HETATM 2881 O2 TD A 2 23.662 -22.185 36.871 1.00 -0.38 O HETATM 2882 H20 TD A 2 23.613 -21.239 36.802 1.00 0.21 H HETATM 2883 H19 TD A 2 22.912 -22.519 34.922 1.00 0.07 H HETATM 2884 N7 TD A 2 21.151 -20.850 36.380 1.00 -0.16 N HETATM 2885 C8 TD A 2 21.751 -19.889 35.583 1.00 0.09 C HETATM 2886 C9 TD A 2 21.229 -18.661 36.048 1.00 0.07 C HETATM 2887 C12 TD A 2 21.511 -17.246 35.572 1.00 -0.02 C HETATM 2888 C13 TD A 2 22.645 -16.944 34.866 1.00 -0.03 C HETATM 2889 C14 TD A 2 22.868 -15.609 34.444 1.00 0.13 C HETATM 2890 C15 TD A 2 21.923 -14.583 34.754 1.00 -0.03 C HETATM 2891 C16 TD A 2 20.807 -14.880 35.455 1.00 -0.07 C HETATM 2892 C17 TD A 2 20.579 -16.228 35.882 1.00 -0.06 C HETATM 2893 H26 TD A 2 19.686 -16.470 36.447 1.00 0.05 H HETATM 2894 H25 TD A 2 20.089 -14.103 35.693 1.00 0.06 H HETATM 2895 H24 TD A 2 22.102 -13.565 34.426 1.00 0.06 H HETATM 2896 F18 TD A 2 23.975 -15.303 33.747 1.00 -0.18 F HETATM 2897 H8 TD A 2 23.366 -17.719 34.632 1.00 0.06 H HETATM 2898 N10 TD A 2 20.376 -18.969 37.065 1.00 -0.22 N HETATM 2899 N11 TD A 2 20.362 -20.272 37.220 1.00 -0.09 N HETATM 2900 H22 TD A 2 22.466 -20.045 34.777 1.00 0.11 H HETATM 2901 H18 TD A 2 21.162 -22.679 37.369 1.00 0.07 H HETATM 2902 H15 TD A 2 19.293 -22.602 35.784 1.00 0.07 H HETATM 2903 H10 TD A 2 20.093 -24.697 36.755 1.00 0.06 H HETATM 2904 H9 TD A 2 22.567 -24.465 37.217 1.00 0.07 H HETATM 2905 H1 TD A 2 23.027 -26.924 35.979 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1306 1307 1312 1313 1314 CONECT 1313 1306 CONECT 1314 1306 CONECT 2831 2832 2841 2867 2905 CONECT 2832 2831 2833 2864 2866 CONECT 2833 2832 2834 2846 2863 CONECT 2834 2833 2835 2843 2845 CONECT 2835 2834 2836 2841 2842 CONECT 2836 2835 2837 2839 2840 CONECT 2837 2836 2838 CONECT 2838 2837 CONECT 2839 2836 CONECT 2840 2836 CONECT 2841 2831 2835 CONECT 2842 2835 CONECT 2843 2834 2844 CONECT 2844 2843 CONECT 2845 2834 CONECT 2846 2833 2847 2850 CONECT 2847 2846 2848 CONECT 2848 2847 2849 CONECT 2849 2848 2850 2852 CONECT 2850 2846 2849 2851 CONECT 2851 2850 CONECT 2852 2849 2853 2857 CONECT 2853 2852 2854 2862 CONECT 2854 2853 2855 2861 CONECT 2855 2854 2856 2860 CONECT 2856 2855 2857 2859 CONECT 2857 2852 2856 2858 CONECT 2858 2857 CONECT 2859 2856 CONECT 2860 2855 CONECT 2861 2854 CONECT 2862 2853 CONECT 2863 2833 CONECT 2864 2832 2865 CONECT 2865 2864 CONECT 2866 2832 CONECT 2867 2831 2868 CONECT 2868 2867 2869 2880 2904 CONECT 2869 2868 2870 CONECT 2870 2869 2871 2876 2903 CONECT 2871 2870 2872 2874 2875 CONECT 2872 2871 2873 CONECT 2873 2872 CONECT 2874 2871 CONECT 2875 2871 CONECT 2876 2870 2877 2879 2902 CONECT 2877 2876 2878 CONECT 2878 2877 CONECT 2879 2876 2880 2884 2901 CONECT 2880 2868 2879 2881 2883 CONECT 2881 2880 2882 CONECT 2882 2881 CONECT 2883 2880 CONECT 2884 2879 2885 2899 CONECT 2885 2884 2886 2900 CONECT 2886 2885 2887 2898 CONECT 2887 2886 2888 2892 CONECT 2888 2887 2889 2897 CONECT 2889 2888 2890 2896 CONECT 2890 2889 2891 2895 CONECT 2891 2890 2892 2894 CONECT 2892 2887 2891 2893 CONECT 2893 2892 CONECT 2894 2891 CONECT 2895 2890 CONECT 2896 2889 CONECT 2897 2888 CONECT 2898 2886 2899 CONECT 2899 2884 2898 CONECT 2900 2885 CONECT 2901 2879 CONECT 2902 2876 CONECT 2903 2870 CONECT 2904 2868 CONECT 2905 2831 MASTER 0 0 0 0 0 0 0 0 2903 2 82 22 END
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Structure:
Ligand 2D
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Protein
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Protein-Ligand
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Related entries of code: 5h9q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3zxe
RCSB PDB
PDBbind
133aa, >3ZXE_1|Chains... at 100%
5h9s
RCSB PDB
PDBbind
155aa, >5H9S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4y24
RCSB PDB
PDBbind
TD2
5e89
RCSB PDB
PDBbind
TD2
5h9p
RCSB PDB
PDBbind
TD2
Entry Information
PDB ID
5h9q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Galectin-7
Ligand Name
TD2
EC.Number
E.C.-.-.-.-
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=38.0uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 29457-29457
Ligand Properties
Formula
C
2
8
H
3
0
F
2
N
6
O
8
S
Molecular Weight
648.635
Exact Mass
648.181
No. of atoms
75
No. of bonds
80
Polar Surface Area
226.56
LOGP Value
0.24 (
Computed with XLOGP3
)
-0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 6
Canonical SMILES
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cccc(c2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O
InChI String
InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P47929
Entrez Gene ID
NCBI Entrez Gene ID:
3963
653499
ASD
Information of known allosteric effects of PDB entries
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