Browse entries in the PDBbind-CN Database
HEADER 5ETP_COMPLEX COMPND 5ETP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 160 ALA MET THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU SEQRES 2 A 160 ALA SER PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA SEQRES 3 A 160 LEU GLY ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SEQRES 4 A 160 SER PHE TYR ARG THR PRO PRO LEU GLY PRO GLN ASP GLN SEQRES 5 A 160 PRO ASP TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER SEQRES 6 A 160 LEU ALA PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE SEQRES 7 A 160 GLU LEU GLN GLN GLY ARG VAL ARG LYS ALA GLU ARG TRP SEQRES 8 A 160 GLY PRO ARG THR LEU ASP LEU ASP ILE MET LEU PHE GLY SEQRES 9 A 160 ASN GLU VAL ILE ASN THR GLU ARG LEU THR VAL PRO HIS SEQRES 10 A 160 TYR ASP MET LYS ASN ARG GLY PHE MET LEU TRP PRO LEU SEQRES 11 A 160 PHE GLU ILE ALA PRO GLU LEU VAL PHE PRO ASP GLY GLU SEQRES 12 A 160 MET LEU ARG GLN ILE LEU HIS THR ARG ALA PHE ASP LYS SEQRES 13 A 160 LEU ASN LYS TRP HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET NA A 5 1 HET NA A 6 1 HET NA A 7 1 HET UNN A 449 33 ATOM 1 N ALA A -1 -8.070 5.311 9.640 1.00 25.16 N ATOM 2 CA ALA A -1 -9.295 5.838 9.035 1.00 20.52 C ATOM 3 C ALA A -1 -9.091 5.969 7.493 1.00 13.25 C ATOM 4 O ALA A -1 -8.077 6.472 6.980 1.00 12.80 O ATOM 5 CB ALA A -1 -9.750 7.170 9.656 1.00 23.55 C ATOM 6 HN3 ALA A -1 -7.282 5.961 9.446 1.00 0.00 H ATOM 7 HN2 ALA A -1 -7.859 4.377 9.235 1.00 0.00 H ATOM 8 HN1 ALA A -1 -8.203 5.222 10.668 1.00 0.00 H ATOM 9 N MET A 0 -10.126 5.540 6.780 1.00 11.15 N ATOM 10 CA MET A 0 -10.122 5.601 5.310 1.00 9.42 C ATOM 11 C MET A 0 -11.000 6.749 4.878 1.00 7.41 C ATOM 12 O MET A 0 -12.023 6.965 5.455 1.00 10.38 O ATOM 13 CB MET A 0 -10.698 4.324 4.700 1.00 11.90 C ATOM 14 CG MET A 0 -10.228 3.072 5.362 1.00 14.89 C ATOM 15 SD MET A 0 -8.482 3.026 5.251 1.00 17.28 S ATOM 16 CE MET A 0 -8.334 3.060 3.550 1.00 10.39 C ATOM 17 H MET A 0 -10.957 5.153 7.271 1.00 0.00 H ATOM 18 N THR A 1 -10.559 7.427 3.811 1.00 5.62 N ATOM 19 CA THR A 1 -11.288 8.495 3.176 1.00 5.93 C ATOM 20 C THR A 1 -11.385 8.189 1.711 1.00 5.49 C ATOM 21 O THR A 1 -10.429 7.747 1.101 1.00 6.21 O ATOM 22 CB THR A 1 -10.540 9.821 3.375 1.00 7.33 C ATOM 23 OG1 THR A 1 -10.448 10.070 4.776 1.00 9.25 O ATOM 24 CG2 THR A 1 -11.318 10.984 2.782 1.00 10.80 C ATOM 25 HG1 THR A 1 -9.954 9.330 5.210 1.00 0.00 H ATOM 26 H THR A 1 -9.633 7.166 3.416 1.00 0.00 H ATOM 27 N VAL A 2 -12.520 8.534 1.085 1.00 5.63 N ATOM 28 CA VAL A 2 -12.614 8.441 -0.367 1.00 5.80 C ATOM 29 C VAL A 2 -12.176 9.765 -0.980 1.00 5.88 C ATOM 30 O VAL A 2 -12.792 10.817 -0.746 1.00 7.25 O ATOM 31 CB VAL A 2 -14.000 8.013 -0.865 1.00 7.50 C ATOM 32 CG1 VAL A 2 -13.999 7.886 -2.380 1.00 8.10 C ATOM 33 CG2 VAL A 2 -14.437 6.722 -0.240 1.00 8.88 C ATOM 34 H VAL A 2 -13.335 8.869 1.637 1.00 0.00 H ATOM 35 N ALA A 3 -11.116 9.706 -1.763 1.00 5.53 N ATOM 36 CA ALA A 3 -10.650 10.803 -2.600 1.00 5.70 C ATOM 37 C ALA A 3 -11.280 10.621 -3.988 1.00 4.58 C ATOM 38 O ALA A 3 -11.316 9.521 -4.524 1.00 8.68 O ATOM 39 CB ALA A 3 -9.164 10.814 -2.682 1.00 6.51 C ATOM 40 H ALA A 3 -10.577 8.817 -1.784 1.00 0.00 H ATOM 41 N TYR A 4 -11.724 11.720 -4.583 1.00 3.03 N ATOM 42 CA TYR A 4 -12.242 11.689 -5.927 1.00 2.92 C ATOM 43 C TYR A 4 -11.250 12.431 -6.798 1.00 2.82 C ATOM 44 O TYR A 4 -10.921 13.621 -6.517 1.00 3.63 O ATOM 45 CB TYR A 4 -13.638 12.319 -6.009 1.00 3.82 C ATOM 46 CG TYR A 4 -14.653 11.469 -5.272 1.00 4.68 C ATOM 47 CD1 TYR A 4 -15.194 10.329 -5.850 1.00 5.47 C ATOM 48 CD2 TYR A 4 -15.040 11.790 -3.997 1.00 6.30 C ATOM 49 CE1 TYR A 4 -16.127 9.565 -5.162 1.00 6.70 C ATOM 50 CE2 TYR A 4 -15.995 11.009 -3.340 1.00 8.41 C ATOM 51 CZ TYR A 4 -16.521 9.919 -3.946 1.00 8.05 C ATOM 52 OH TYR A 4 -17.465 9.153 -3.249 1.00 12.24 O ATOM 53 HH TYR A 4 -17.756 8.395 -3.815 1.00 0.00 H ATOM 54 H TYR A 4 -11.698 12.623 -4.068 1.00 0.00 H ATOM 55 N ILE A 5 -10.690 11.736 -7.778 1.00 2.63 N ATOM 56 CA ILE A 5 -9.627 12.229 -8.621 1.00 2.97 C ATOM 57 C ILE A 5 -10.129 12.402 -10.030 1.00 2.77 C ATOM 58 O ILE A 5 -10.703 11.480 -10.597 1.00 3.63 O ATOM 59 CB ILE A 5 -8.397 11.277 -8.571 1.00 3.97 C ATOM 60 CG1 ILE A 5 -7.867 11.188 -7.136 1.00 5.28 C ATOM 61 CG2 ILE A 5 -7.315 11.704 -9.551 1.00 5.27 C ATOM 62 CD1 ILE A 5 -6.841 10.111 -6.917 1.00 6.45 C ATOM 63 H ILE A 5 -11.040 10.772 -7.951 1.00 0.00 H ATOM 64 N ALA A 6 -9.935 13.592 -10.584 1.00 2.61 N ATOM 65 CA ALA A 6 -10.229 13.846 -12.000 1.00 2.90 C ATOM 66 C ALA A 6 -9.028 13.505 -12.840 1.00 3.00 C ATOM 67 O ALA A 6 -7.871 13.739 -12.432 1.00 4.43 O ATOM 68 CB ALA A 6 -10.585 15.302 -12.203 1.00 3.36 C ATOM 69 H ALA A 6 -9.564 14.367 -9.998 1.00 0.00 H ATOM 70 N ILE A 7 -9.287 12.908 -13.995 1.00 2.76 N ATOM 71 CA ILE A 7 -8.250 12.551 -14.938 1.00 2.88 C ATOM 72 C ILE A 7 -8.505 13.306 -16.235 1.00 2.80 C ATOM 73 O ILE A 7 -9.651 13.311 -16.740 1.00 3.25 O ATOM 74 CB ILE A 7 -8.251 11.027 -15.215 1.00 4.14 C ATOM 75 CG1 ILE A 7 -8.150 10.244 -13.913 1.00 4.76 C ATOM 76 CG2 ILE A 7 -7.070 10.684 -16.130 1.00 5.65 C ATOM 77 CD1 ILE A 7 -8.182 8.732 -14.062 1.00 7.24 C ATOM 78 H ILE A 7 -10.275 12.688 -14.233 1.00 0.00 H ATOM 79 N GLY A 8 -7.462 13.894 -16.797 1.00 2.93 N ATOM 80 CA GLY A 8 -7.511 14.484 -18.118 1.00 3.04 C ATOM 81 C GLY A 8 -6.272 14.133 -18.894 1.00 2.82 C ATOM 82 O GLY A 8 -5.173 14.047 -18.343 1.00 3.47 O ATOM 83 H GLY A 8 -6.568 13.934 -16.267 1.00 0.00 H ATOM 84 N SER A 9 -6.438 14.001 -20.215 1.00 2.65 N ATOM 85 CA SER A 9 -5.295 13.778 -21.124 1.00 2.67 C ATOM 86 C SER A 9 -5.703 14.236 -22.495 1.00 2.57 C ATOM 87 O SER A 9 -6.792 13.881 -22.967 1.00 2.75 O ATOM 88 CB SER A 9 -4.943 12.303 -21.198 1.00 3.36 C ATOM 89 OG SER A 9 -3.972 12.045 -22.183 1.00 3.85 O ATOM 90 HG SER A 9 -3.148 12.551 -21.973 1.00 0.00 H ATOM 91 H SER A 9 -7.397 14.057 -20.613 1.00 0.00 H ATOM 92 N ASN A 10 -4.819 14.960 -23.193 1.00 2.66 N ATOM 93 CA ASN A 10 -5.090 15.282 -24.607 1.00 3.02 C ATOM 94 C ASN A 10 -3.850 15.157 -25.476 1.00 3.43 C ATOM 95 O ASN A 10 -3.889 15.659 -26.606 1.00 5.01 O ATOM 96 CB ASN A 10 -5.818 16.594 -24.819 1.00 3.29 C ATOM 97 CG ASN A 10 -4.972 17.804 -24.546 1.00 3.29 C ATOM 98 OD1 ASN A 10 -3.977 17.736 -23.828 1.00 4.00 O ATOM 99 ND2 ASN A 10 -5.402 18.930 -25.119 1.00 3.94 N ATOM 100 HD22 ASN A 10 -6.253 18.917 -25.716 1.00 0.00 H ATOM 101 HD21 ASN A 10 -4.886 19.820 -24.968 1.00 0.00 H ATOM 102 H ASN A 10 -3.945 15.294 -22.740 1.00 0.00 H ATOM 103 N LEU A 11 -2.806 14.478 -25.017 1.00 3.75 N ATOM 104 CA LEU A 11 -1.578 14.278 -25.788 1.00 3.81 C ATOM 105 C LEU A 11 -1.170 12.809 -25.712 1.00 4.21 C ATOM 106 O LEU A 11 -1.376 12.137 -24.717 1.00 4.86 O ATOM 107 CB LEU A 11 -0.403 15.088 -25.272 1.00 4.34 C ATOM 108 CG LEU A 11 -0.514 16.599 -25.400 1.00 4.99 C ATOM 109 CD1 LEU A 11 0.736 17.227 -24.771 1.00 6.00 C ATOM 110 CD2 LEU A 11 -0.636 17.033 -26.835 1.00 6.04 C ATOM 111 H LEU A 11 -2.863 14.068 -24.063 1.00 0.00 H ATOM 112 N ALA A 12 -0.481 12.371 -26.778 1.00 4.59 N ATOM 113 CA ALA A 12 0.266 11.128 -26.792 1.00 4.81 C ATOM 114 C ALA A 12 -0.629 9.922 -26.448 1.00 4.60 C ATOM 115 O ALA A 12 -0.331 9.101 -25.590 1.00 5.05 O ATOM 116 CB ALA A 12 1.474 11.204 -25.933 1.00 5.40 C ATOM 117 H ALA A 12 -0.483 12.954 -27.639 1.00 0.00 H ATOM 118 N SER A 13 -1.728 9.848 -27.205 1.00 4.67 N ATOM 119 CA SER A 13 -2.703 8.755 -27.122 1.00 4.95 C ATOM 120 C SER A 13 -3.428 8.737 -25.776 1.00 4.20 C ATOM 121 O SER A 13 -3.151 7.879 -24.914 1.00 4.46 O ATOM 122 CB SER A 13 -2.117 7.403 -27.447 1.00 5.80 C ATOM 123 OG SER A 13 -1.507 7.370 -28.722 1.00 8.67 O ATOM 124 HG SER A 13 -0.775 8.036 -28.754 1.00 0.00 H ATOM 125 H SER A 13 -1.902 10.609 -27.892 1.00 0.00 H ATOM 126 N PRO A 14 -4.376 9.654 -25.584 1.00 4.13 N ATOM 127 CA PRO A 14 -5.075 9.746 -24.294 1.00 4.05 C ATOM 128 C PRO A 14 -5.647 8.468 -23.761 1.00 3.67 C ATOM 129 O PRO A 14 -5.603 8.268 -22.538 1.00 4.13 O ATOM 130 CB PRO A 14 -6.169 10.779 -24.584 1.00 4.38 C ATOM 131 CG PRO A 14 -5.518 11.713 -25.609 1.00 4.68 C ATOM 132 CD PRO A 14 -4.765 10.734 -26.500 1.00 4.66 C ATOM 133 N LEU A 15 -6.214 7.578 -24.587 1.00 3.93 N ATOM 134 CA LEU A 15 -6.716 6.323 -24.035 1.00 4.68 C ATOM 135 C LEU A 15 -5.615 5.510 -23.371 1.00 4.26 C ATOM 136 O LEU A 15 -5.786 4.914 -22.302 1.00 4.90 O ATOM 137 CB LEU A 15 -7.428 5.527 -25.117 1.00 5.67 C ATOM 138 CG LEU A 15 -8.026 4.204 -24.653 1.00 7.45 C ATOM 139 CD1 LEU A 15 -9.036 4.391 -23.570 1.00 9.61 C ATOM 140 CD2 LEU A 15 -8.591 3.445 -25.834 1.00 9.87 C ATOM 141 H LEU A 15 -6.295 7.778 -25.604 1.00 0.00 H ATOM 142 N GLU A 16 -4.448 5.441 -24.052 1.00 4.25 N ATOM 143 CA GLU A 16 -3.303 4.740 -23.452 1.00 4.60 C ATOM 144 C GLU A 16 -2.869 5.434 -22.164 1.00 4.22 C ATOM 145 O GLU A 16 -2.535 4.748 -21.184 1.00 4.69 O ATOM 146 CB GLU A 16 -2.149 4.675 -24.438 1.00 5.55 C ATOM 147 CG GLU A 16 -2.382 3.801 -25.600 1.00 8.57 C ATOM 148 CD GLU A 16 -1.159 3.613 -26.467 1.00 10.80 C ATOM 149 OE1 GLU A 16 -0.234 4.466 -26.462 1.00 12.77 O ATOM 150 OE2 GLU A 16 -1.156 2.666 -27.257 1.00 15.06 O ATOM 151 H GLU A 16 -4.362 5.880 -24.991 1.00 0.00 H ATOM 152 N GLN A 17 -2.839 6.765 -22.163 1.00 3.90 N ATOM 153 CA GLN A 17 -2.390 7.488 -20.976 1.00 4.07 C ATOM 154 C GLN A 17 -3.320 7.201 -19.807 1.00 3.78 C ATOM 155 O GLN A 17 -2.872 7.005 -18.671 1.00 4.13 O ATOM 156 CB GLN A 17 -2.364 9.008 -21.216 1.00 4.03 C ATOM 157 CG GLN A 17 -1.388 9.439 -22.285 1.00 4.13 C ATOM 158 CD GLN A 17 0.044 9.268 -21.922 1.00 4.76 C ATOM 159 OE1 GLN A 17 0.395 9.070 -20.748 1.00 5.59 O ATOM 160 NE2 GLN A 17 0.906 9.377 -22.916 1.00 5.91 N ATOM 161 HE22 GLN A 17 0.565 9.543 -23.884 1.00 0.00 H ATOM 162 HE21 GLN A 17 1.926 9.297 -22.731 1.00 0.00 H ATOM 163 H GLN A 17 -3.136 7.291 -23.009 1.00 0.00 H ATOM 164 N VAL A 18 -4.626 7.248 -20.050 1.00 3.66 N ATOM 165 CA VAL A 18 -5.573 7.042 -18.946 1.00 3.69 C ATOM 166 C VAL A 18 -5.551 5.603 -18.411 1.00 3.93 C ATOM 167 O VAL A 18 -5.572 5.392 -17.180 1.00 4.20 O ATOM 168 CB VAL A 18 -6.947 7.586 -19.320 1.00 3.64 C ATOM 169 CG1 VAL A 18 -7.987 7.304 -18.256 1.00 4.16 C ATOM 170 CG2 VAL A 18 -6.797 9.098 -19.603 1.00 3.04 C ATOM 171 H VAL A 18 -4.974 7.429 -21.013 1.00 0.00 H ATOM 172 N ASN A 19 -5.410 4.620 -19.319 1.00 4.11 N ATOM 173 CA ASN A 19 -5.268 3.249 -18.831 1.00 4.30 C ATOM 174 C ASN A 19 -3.980 3.093 -18.019 1.00 4.17 C ATOM 175 O ASN A 19 -3.998 2.445 -16.954 1.00 4.85 O ATOM 176 CB ASN A 19 -5.293 2.267 -19.974 1.00 4.92 C ATOM 177 CG ASN A 19 -6.689 2.107 -20.566 1.00 5.68 C ATOM 178 OD1 ASN A 19 -7.705 2.260 -19.893 1.00 6.87 O ATOM 179 ND2 ASN A 19 -6.705 1.741 -21.846 1.00 6.64 N ATOM 180 HD22 ASN A 19 -5.811 1.627 -22.365 1.00 0.00 H ATOM 181 HD21 ASN A 19 -7.611 1.569 -22.326 1.00 0.00 H ATOM 182 H ASN A 19 -5.402 4.829 -20.338 1.00 0.00 H ATOM 183 N ALA A 20 -2.875 3.654 -18.487 1.00 4.00 N ATOM 184 CA ALA A 20 -1.650 3.554 -17.713 1.00 4.45 C ATOM 185 C ALA A 20 -1.834 4.246 -16.355 1.00 3.89 C ATOM 186 O ALA A 20 -1.328 3.737 -15.328 1.00 4.28 O ATOM 187 CB ALA A 20 -0.490 4.174 -18.479 1.00 4.82 C ATOM 188 H ALA A 20 -2.884 4.159 -19.396 1.00 0.00 H ATOM 189 N ALA A 21 -2.549 5.352 -16.321 1.00 3.71 N ATOM 190 CA ALA A 21 -2.757 6.049 -15.066 1.00 3.74 C ATOM 191 C ALA A 21 -3.578 5.202 -14.103 1.00 3.36 C ATOM 192 O ALA A 21 -3.332 5.217 -12.903 1.00 3.97 O ATOM 193 CB ALA A 21 -3.451 7.397 -15.314 1.00 4.32 C ATOM 194 H ALA A 21 -2.966 5.727 -17.197 1.00 0.00 H ATOM 195 N LEU A 22 -4.593 4.496 -14.614 1.00 3.79 N ATOM 196 CA LEU A 22 -5.381 3.625 -13.748 1.00 4.07 C ATOM 197 C LEU A 22 -4.554 2.520 -13.126 1.00 3.88 C ATOM 198 O LEU A 22 -4.733 2.189 -11.942 1.00 4.22 O ATOM 199 CB LEU A 22 -6.566 3.043 -14.523 1.00 4.76 C ATOM 200 CG LEU A 22 -7.635 4.006 -14.949 1.00 5.77 C ATOM 201 CD1 LEU A 22 -8.642 3.294 -15.845 1.00 7.03 C ATOM 202 CD2 LEU A 22 -8.340 4.691 -13.798 1.00 7.02 C ATOM 203 H LEU A 22 -4.820 4.568 -15.626 1.00 0.00 H ATOM 204 N LYS A 23 -3.642 1.934 -13.898 1.00 4.23 N ATOM 205 CA LYS A 23 -2.722 0.940 -13.311 1.00 4.39 C ATOM 206 C LYS A 23 -1.889 1.571 -12.226 1.00 4.29 C ATOM 207 O LYS A 23 -1.737 0.998 -11.142 1.00 4.87 O ATOM 208 CB LYS A 23 -1.811 0.260 -14.351 1.00 3.95 C ATOM 209 CG LYS A 23 -2.572 -0.761 -15.175 1.00 3.91 C ATOM 210 CD LYS A 23 -1.830 -1.331 -16.365 1.00 3.99 C ATOM 211 CE LYS A 23 -0.496 -1.988 -16.032 1.00 4.03 C ATOM 212 NZ LYS A 23 0.100 -2.712 -17.199 1.00 3.77 N ATOM 213 HZ1 LYS A 23 -0.553 -3.458 -17.513 1.00 0.00 H ATOM 214 HZ2 LYS A 23 0.261 -2.040 -17.977 1.00 0.00 H ATOM 215 HZ3 LYS A 23 1.005 -3.139 -16.915 1.00 0.00 H ATOM 216 H LYS A 23 -3.578 2.175 -14.908 1.00 0.00 H ATOM 217 N ALA A 24 -1.336 2.750 -12.505 1.00 3.80 N ATOM 218 CA ALA A 24 -0.480 3.423 -11.532 1.00 4.06 C ATOM 219 C ALA A 24 -1.263 3.821 -10.282 1.00 3.87 C ATOM 220 O ALA A 24 -0.764 3.709 -9.160 1.00 4.30 O ATOM 221 CB ALA A 24 0.171 4.619 -12.162 1.00 4.55 C ATOM 222 H ALA A 24 -1.516 3.197 -13.427 1.00 0.00 H ATOM 223 N LEU A 25 -2.507 4.306 -10.454 1.00 3.76 N ATOM 224 CA LEU A 25 -3.337 4.631 -9.293 1.00 3.92 C ATOM 225 C LEU A 25 -3.551 3.388 -8.426 1.00 3.60 C ATOM 226 O LEU A 25 -3.568 3.464 -7.199 1.00 4.16 O ATOM 227 CB LEU A 25 -4.663 5.241 -9.738 1.00 4.33 C ATOM 228 CG LEU A 25 -4.598 6.665 -10.316 1.00 4.98 C ATOM 229 CD1 LEU A 25 -5.862 7.001 -11.057 1.00 7.31 C ATOM 230 CD2 LEU A 25 -4.275 7.705 -9.286 1.00 6.75 C ATOM 231 H LEU A 25 -2.879 4.450 -11.414 1.00 0.00 H ATOM 232 N GLY A 26 -3.718 2.231 -9.071 1.00 4.06 N ATOM 233 CA GLY A 26 -3.888 0.995 -8.325 1.00 4.03 C ATOM 234 C GLY A 26 -2.697 0.678 -7.442 1.00 4.05 C ATOM 235 O GLY A 26 -2.817 0.083 -6.344 1.00 4.84 O ATOM 236 H GLY A 26 -3.726 2.214 -10.111 1.00 0.00 H ATOM 237 N ASP A 27 -1.504 1.048 -7.918 1.00 4.01 N ATOM 238 CA ASP A 27 -0.263 0.787 -7.215 1.00 4.69 C ATOM 239 C ASP A 27 0.046 1.836 -6.149 1.00 4.83 C ATOM 240 O ASP A 27 1.061 1.675 -5.454 1.00 6.51 O ATOM 241 CB ASP A 27 0.893 0.740 -8.222 1.00 6.43 C ATOM 242 CG ASP A 27 0.912 -0.482 -9.062 1.00 8.83 C ATOM 243 OD1 ASP A 27 0.279 -1.488 -8.716 1.00 12.51 O ATOM 244 OD2 ASP A 27 1.563 -0.453 -10.088 1.00 15.14 O ATOM 245 H ASP A 27 -1.464 1.544 -8.831 1.00 0.00 H ATOM 246 N ILE A 28 -0.764 2.866 -5.974 1.00 4.35 N ATOM 247 CA ILE A 28 -0.548 3.802 -4.857 1.00 4.70 C ATOM 248 C ILE A 28 -0.787 3.014 -3.576 1.00 4.57 C ATOM 249 O ILE A 28 -1.823 2.333 -3.460 1.00 4.60 O ATOM 250 CB ILE A 28 -1.466 5.017 -4.975 1.00 4.44 C ATOM 251 CG1 ILE A 28 -1.121 5.827 -6.203 1.00 4.76 C ATOM 252 CG2 ILE A 28 -1.424 5.867 -3.714 1.00 4.96 C ATOM 253 CD1 ILE A 28 -2.000 7.027 -6.431 1.00 4.83 C ATOM 254 H ILE A 28 -1.558 3.016 -6.628 1.00 0.00 H ATOM 255 N PRO A 29 0.119 3.104 -2.593 1.00 5.58 N ATOM 256 CA PRO A 29 -0.037 2.363 -1.346 1.00 5.45 C ATOM 257 C PRO A 29 -1.145 2.973 -0.473 1.00 5.11 C ATOM 258 O PRO A 29 -1.518 4.143 -0.629 1.00 5.33 O ATOM 259 CB PRO A 29 1.346 2.495 -0.700 1.00 7.18 C ATOM 260 CG PRO A 29 1.834 3.807 -1.201 1.00 7.65 C ATOM 261 CD PRO A 29 1.370 3.889 -2.622 1.00 6.91 C ATOM 262 N GLU A 30 -1.594 2.155 0.483 1.00 4.99 N ATOM 263 CA GLU A 30 -2.622 2.571 1.444 1.00 5.37 C ATOM 264 C GLU A 30 -3.931 2.948 0.769 1.00 4.81 C ATOM 265 O GLU A 30 -4.721 3.717 1.331 1.00 5.72 O ATOM 266 CB GLU A 30 -2.143 3.651 2.410 1.00 5.72 C ATOM 267 CG GLU A 30 -1.068 3.211 3.359 1.00 7.62 C ATOM 268 CD GLU A 30 -0.676 4.301 4.275 1.00 8.76 C ATOM 269 OE1 GLU A 30 -1.574 4.849 5.000 1.00 10.54 O ATOM 270 OE2 GLU A 30 0.556 4.682 4.340 1.00 10.71 O ATOM 271 H GLU A 30 -1.203 1.194 0.548 1.00 0.00 H ATOM 272 N SER A 31 -4.157 2.434 -0.429 1.00 4.55 N ATOM 273 CA SER A 31 -5.237 2.984 -1.288 1.00 4.58 C ATOM 274 C SER A 31 -5.820 1.885 -2.147 1.00 4.34 C ATOM 275 O SER A 31 -5.112 0.962 -2.559 1.00 4.79 O ATOM 276 CB SER A 31 -4.675 4.093 -2.172 1.00 4.67 C ATOM 277 OG SER A 31 -4.007 5.097 -1.417 1.00 4.97 O ATOM 278 HG SER A 31 -3.255 4.689 -0.920 1.00 0.00 H ATOM 279 H SER A 31 -3.576 1.642 -0.771 1.00 0.00 H ATOM 280 N HIS A 32 -7.111 2.044 -2.482 1.00 4.82 N ATOM 281 CA HIS A 32 -7.758 1.085 -3.406 1.00 4.40 C ATOM 282 C HIS A 32 -8.695 1.916 -4.290 1.00 3.82 C ATOM 283 O HIS A 32 -9.478 2.741 -3.771 1.00 4.29 O ATOM 284 CB HIS A 32 -8.669 0.032 -2.718 1.00 6.13 C ATOM 285 CG HIS A 32 -7.957 -1.053 -2.024 1.00 7.92 C ATOM 286 ND1 HIS A 32 -7.332 -0.858 -0.801 1.00 10.32 N ATOM 287 CD2 HIS A 32 -7.815 -2.377 -2.321 1.00 12.98 C ATOM 288 CE1 HIS A 32 -6.761 -2.005 -0.424 1.00 11.45 C ATOM 289 NE2 HIS A 32 -7.049 -2.944 -1.311 1.00 13.33 N ATOM 290 H HIS A 32 -7.656 2.840 -2.093 1.00 0.00 H ATOM 291 N ILE A 33 -8.662 1.644 -5.600 1.00 3.35 N ATOM 292 CA ILE A 33 -9.644 2.210 -6.502 1.00 3.23 C ATOM 293 C ILE A 33 -11.009 1.527 -6.234 1.00 3.11 C ATOM 294 O ILE A 33 -11.132 0.302 -6.358 1.00 3.80 O ATOM 295 CB ILE A 33 -9.280 2.029 -7.966 1.00 3.87 C ATOM 296 CG1 ILE A 33 -7.950 2.739 -8.292 1.00 4.96 C ATOM 297 CG2 ILE A 33 -10.385 2.489 -8.884 1.00 3.94 C ATOM 298 CD1 ILE A 33 -7.361 2.316 -9.602 1.00 6.86 C ATOM 299 H ILE A 33 -7.921 1.018 -5.975 1.00 0.00 H ATOM 300 N LEU A 34 -12.024 2.325 -5.923 1.00 3.14 N ATOM 301 CA LEU A 34 -13.376 1.802 -5.747 1.00 3.31 C ATOM 302 C LEU A 34 -14.185 1.851 -7.017 1.00 3.44 C ATOM 303 O LEU A 34 -15.038 1.007 -7.229 1.00 4.02 O ATOM 304 CB LEU A 34 -14.140 2.557 -4.661 1.00 3.91 C ATOM 305 CG LEU A 34 -13.486 2.635 -3.301 1.00 4.94 C ATOM 306 CD1 LEU A 34 -14.442 3.268 -2.312 1.00 6.48 C ATOM 307 CD2 LEU A 34 -13.064 1.253 -2.796 1.00 5.65 C ATOM 308 H LEU A 34 -11.852 3.344 -5.802 1.00 0.00 H ATOM 309 N THR A 35 -13.969 2.867 -7.842 1.00 3.29 N ATOM 310 CA THR A 35 -14.881 3.071 -8.989 1.00 3.32 C ATOM 311 C THR A 35 -14.135 3.839 -10.027 1.00 3.10 C ATOM 312 O THR A 35 -13.396 4.802 -9.714 1.00 3.56 O ATOM 313 CB THR A 35 -16.124 3.900 -8.590 1.00 4.00 C ATOM 314 OG1 THR A 35 -16.442 3.639 -7.178 1.00 5.11 O ATOM 315 CG2 THR A 35 -17.318 3.588 -9.491 1.00 4.74 C ATOM 316 HG1 THR A 35 -16.630 2.675 -7.056 1.00 0.00 H ATOM 317 H THR A 35 -13.169 3.512 -7.685 1.00 0.00 H ATOM 318 N VAL A 36 -14.403 3.489 -11.307 1.00 3.20 N ATOM 319 CA VAL A 36 -13.865 4.185 -12.471 1.00 3.32 C ATOM 320 C VAL A 36 -15.061 4.636 -13.317 1.00 2.88 C ATOM 321 O VAL A 36 -15.932 3.834 -13.623 1.00 3.58 O ATOM 322 CB VAL A 36 -12.934 3.278 -13.292 1.00 4.45 C ATOM 323 CG1 VAL A 36 -12.328 4.060 -14.473 1.00 4.74 C ATOM 324 CG2 VAL A 36 -11.859 2.658 -12.430 1.00 5.32 C ATOM 325 H VAL A 36 -15.030 2.675 -11.470 1.00 0.00 H ATOM 326 N SER A 37 -15.086 5.923 -13.709 1.00 2.81 N ATOM 327 CA SER A 37 -16.122 6.398 -14.567 1.00 3.03 C ATOM 328 C SER A 37 -15.917 5.880 -16.008 1.00 2.85 C ATOM 329 O SER A 37 -14.895 5.295 -16.357 1.00 3.31 O ATOM 330 CB SER A 37 -16.140 7.933 -14.616 1.00 3.28 C ATOM 331 OG SER A 37 -15.039 8.464 -15.304 1.00 3.25 O ATOM 332 HG SER A 37 -15.041 8.130 -16.236 1.00 0.00 H ATOM 333 H SER A 37 -14.345 6.576 -13.384 1.00 0.00 H ATOM 334 N SER A 38 -16.899 6.149 -16.866 1.00 3.17 N ATOM 335 CA SER A 38 -16.672 6.087 -18.293 1.00 3.21 C ATOM 336 C SER A 38 -15.597 7.112 -18.686 1.00 3.07 C ATOM 337 O SER A 38 -15.287 8.057 -17.958 1.00 3.23 O ATOM 338 CB SER A 38 -17.969 6.380 -19.037 1.00 3.75 C ATOM 339 OG SER A 38 -18.961 5.416 -18.773 1.00 4.69 O ATOM 340 HG SER A 38 -19.158 5.404 -17.803 1.00 0.00 H ATOM 341 H SER A 38 -17.840 6.407 -16.506 1.00 0.00 H ATOM 342 N PHE A 39 -15.046 6.894 -19.873 1.00 3.16 N ATOM 343 CA PHE A 39 -14.180 7.910 -20.491 1.00 3.01 C ATOM 344 C PHE A 39 -15.043 8.805 -21.375 1.00 2.89 C ATOM 345 O PHE A 39 -15.913 8.307 -22.076 1.00 3.93 O ATOM 346 CB PHE A 39 -13.095 7.214 -21.314 1.00 3.67 C ATOM 347 CG PHE A 39 -12.187 6.285 -20.516 1.00 4.08 C ATOM 348 CD1 PHE A 39 -11.977 6.428 -19.139 1.00 4.66 C ATOM 349 CD2 PHE A 39 -11.503 5.272 -21.158 1.00 5.39 C ATOM 350 CE1 PHE A 39 -11.103 5.587 -18.470 1.00 5.96 C ATOM 351 CE2 PHE A 39 -10.648 4.430 -20.460 1.00 7.03 C ATOM 352 CZ PHE A 39 -10.448 4.582 -19.130 1.00 6.95 C ATOM 353 H PHE A 39 -15.228 5.999 -20.370 1.00 0.00 H ATOM 354 N TYR A 40 -14.741 10.100 -21.346 1.00 2.73 N ATOM 355 CA TYR A 40 -15.489 11.100 -22.079 1.00 2.79 C ATOM 356 C TYR A 40 -14.569 11.876 -22.975 1.00 3.04 C ATOM 357 O TYR A 40 -13.436 12.191 -22.601 1.00 3.80 O ATOM 358 CB TYR A 40 -16.194 12.052 -21.103 1.00 3.16 C ATOM 359 CG TYR A 40 -17.231 11.391 -20.241 1.00 3.55 C ATOM 360 CD1 TYR A 40 -16.889 10.759 -19.063 1.00 3.54 C ATOM 361 CD2 TYR A 40 -18.559 11.365 -20.637 1.00 4.83 C ATOM 362 CE1 TYR A 40 -17.843 10.116 -18.274 1.00 3.90 C ATOM 363 CE2 TYR A 40 -19.510 10.744 -19.845 1.00 5.37 C ATOM 364 CZ TYR A 40 -19.154 10.121 -18.682 1.00 4.76 C ATOM 365 OH TYR A 40 -20.133 9.487 -17.955 1.00 6.38 O ATOM 366 HH TYR A 40 -19.732 9.084 -17.145 1.00 0.00 H ATOM 367 H TYR A 40 -13.931 10.408 -20.771 1.00 0.00 H ATOM 368 N ARG A 41 -15.064 12.219 -24.169 1.00 3.19 N ATOM 369 CA ARG A 41 -14.312 13.066 -25.124 1.00 3.30 C ATOM 370 C ARG A 41 -14.883 14.457 -25.037 1.00 3.33 C ATOM 371 O ARG A 41 -16.067 14.641 -25.392 1.00 4.82 O ATOM 372 CB ARG A 41 -14.445 12.501 -26.545 1.00 4.03 C ATOM 373 CG ARG A 41 -13.785 13.378 -27.579 1.00 5.33 C ATOM 374 CD ARG A 41 -13.932 12.876 -28.987 1.00 6.37 C ATOM 375 NE ARG A 41 -13.058 11.766 -29.189 1.00 8.08 N ATOM 376 CZ ARG A 41 -13.455 10.478 -29.178 1.00 7.98 C ATOM 377 NH1 ARG A 41 -14.711 10.170 -29.004 1.00 8.81 N ATOM 378 NH2 ARG A 41 -12.548 9.539 -29.304 1.00 11.24 N ATOM 379 HE ARG A 41 -12.051 11.964 -29.355 1.00 0.00 H ATOM 380 HH12 ARG A 41 -15.006 9.173 -28.997 1.00 0.00 H ATOM 381 HH11 ARG A 41 -15.417 10.922 -28.872 1.00 0.00 H ATOM 382 HH22 ARG A 41 -12.831 8.538 -29.298 1.00 0.00 H ATOM 383 HH21 ARG A 41 -11.546 9.795 -29.410 1.00 0.00 H ATOM 384 H ARG A 41 -16.010 11.879 -24.437 1.00 0.00 H ATOM 385 N THR A 42 -14.097 15.424 -24.573 1.00 3.10 N ATOM 386 CA THR A 42 -14.642 16.708 -24.198 1.00 3.42 C ATOM 387 C THR A 42 -13.925 17.840 -24.929 1.00 3.22 C ATOM 388 O THR A 42 -12.692 17.830 -25.117 1.00 4.10 O ATOM 389 CB THR A 42 -14.553 16.890 -22.660 1.00 3.88 C ATOM 390 OG1 THR A 42 -13.178 16.972 -22.308 1.00 3.87 O ATOM 391 CG2 THR A 42 -15.214 15.755 -21.949 1.00 4.52 C ATOM 392 HG1 THR A 42 -13.096 17.089 -21.328 1.00 0.00 H ATOM 393 H THR A 42 -13.075 15.253 -24.479 1.00 0.00 H ATOM 394 N PRO A 43 -14.653 18.871 -25.328 1.00 3.86 N ATOM 395 CA PRO A 43 -14.018 20.016 -25.995 1.00 3.98 C ATOM 396 C PRO A 43 -13.230 20.821 -24.987 1.00 3.65 C ATOM 397 O PRO A 43 -13.625 20.950 -23.833 1.00 4.04 O ATOM 398 CB PRO A 43 -15.236 20.786 -26.543 1.00 5.48 C ATOM 399 CG PRO A 43 -16.375 20.432 -25.601 1.00 6.99 C ATOM 400 CD PRO A 43 -16.138 19.008 -25.276 1.00 5.09 C ATOM 401 N PRO A 44 -12.117 21.408 -25.422 1.00 3.69 N ATOM 402 CA PRO A 44 -11.256 22.093 -24.467 1.00 4.10 C ATOM 403 C PRO A 44 -11.868 23.383 -23.922 1.00 4.55 C ATOM 404 O PRO A 44 -12.437 24.191 -24.664 1.00 6.07 O ATOM 405 CB PRO A 44 -10.014 22.430 -25.272 1.00 4.86 C ATOM 406 CG PRO A 44 -10.449 22.429 -26.739 1.00 5.92 C ATOM 407 CD PRO A 44 -11.492 21.340 -26.760 1.00 4.15 C ATOM 408 N LEU A 45 -11.747 23.550 -22.600 1.00 4.73 N ATOM 409 CA LEU A 45 -12.027 24.792 -21.927 1.00 5.90 C ATOM 410 C LEU A 45 -10.725 25.586 -21.736 1.00 6.51 C ATOM 411 O LEU A 45 -9.699 25.000 -21.529 1.00 8.10 O ATOM 412 CB LEU A 45 -12.689 24.604 -20.557 1.00 7.13 C ATOM 413 CG LEU A 45 -14.054 23.946 -20.604 1.00 10.29 C ATOM 414 CD1 LEU A 45 -14.682 23.975 -19.237 1.00 11.51 C ATOM 415 CD2 LEU A 45 -14.963 24.427 -21.720 1.00 12.83 C ATOM 416 H LEU A 45 -11.434 22.740 -22.028 1.00 0.00 H ATOM 417 N GLY A 46 -10.822 26.902 -21.732 1.00 8.01 N ATOM 418 CA GLY A 46 -9.602 27.724 -21.731 1.00 9.21 C ATOM 419 C GLY A 46 -9.123 27.920 -23.146 1.00 7.18 C ATOM 420 O GLY A 46 -9.958 28.219 -24.002 1.00 8.10 O ATOM 421 H GLY A 46 -11.757 27.356 -21.730 1.00 0.00 H ATOM 422 N PRO A 47 -7.839 27.730 -23.443 1.00 7.19 N ATOM 423 CA PRO A 47 -7.417 27.782 -24.848 1.00 6.49 C ATOM 424 C PRO A 47 -8.029 26.639 -25.619 1.00 5.10 C ATOM 425 O PRO A 47 -8.177 25.516 -25.124 1.00 7.18 O ATOM 426 CB PRO A 47 -5.918 27.691 -24.773 1.00 9.51 C ATOM 427 CG PRO A 47 -5.634 27.096 -23.501 1.00 13.09 C ATOM 428 CD PRO A 47 -6.755 27.323 -22.557 1.00 9.80 C ATOM 429 N GLN A 48 -8.444 26.949 -26.854 1.00 3.98 N ATOM 430 CA GLN A 48 -9.138 25.998 -27.696 1.00 3.86 C ATOM 431 C GLN A 48 -8.293 25.414 -28.797 1.00 3.69 C ATOM 432 O GLN A 48 -8.741 24.498 -29.493 1.00 4.90 O ATOM 433 CB GLN A 48 -10.400 26.633 -28.296 1.00 3.83 C ATOM 434 CG GLN A 48 -11.390 27.035 -27.206 1.00 3.73 C ATOM 435 CD GLN A 48 -12.573 27.763 -27.815 1.00 3.58 C ATOM 436 OE1 GLN A 48 -12.433 28.877 -28.334 1.00 4.05 O ATOM 437 NE2 GLN A 48 -13.747 27.150 -27.767 1.00 4.05 N ATOM 438 HE22 GLN A 48 -13.827 26.213 -27.322 1.00 0.00 H ATOM 439 HE21 GLN A 48 -14.589 27.606 -28.174 1.00 0.00 H ATOM 440 H GLN A 48 -8.262 27.905 -27.220 1.00 0.00 H ATOM 441 N ASP A 49 -7.074 25.921 -28.967 1.00 3.72 N ATOM 442 CA ASP A 49 -6.157 25.458 -30.036 1.00 3.54 C ATOM 443 C ASP A 49 -5.366 24.260 -29.549 1.00 3.26 C ATOM 444 O ASP A 49 -4.129 24.268 -29.515 1.00 3.83 O ATOM 445 CB ASP A 49 -5.271 26.582 -30.510 1.00 4.17 C ATOM 446 CG ASP A 49 -4.364 27.170 -29.430 1.00 4.61 C ATOM 447 OD1 ASP A 49 -4.662 27.052 -28.250 1.00 4.97 O ATOM 448 OD2 ASP A 49 -3.332 27.781 -29.845 1.00 6.05 O ATOM 449 H ASP A 49 -6.752 26.672 -28.324 1.00 0.00 H ATOM 450 N GLN A 50 -6.091 23.199 -29.191 1.00 3.46 N ATOM 451 CA GLN A 50 -5.494 21.974 -28.687 1.00 3.44 C ATOM 452 C GLN A 50 -6.489 20.855 -28.938 1.00 3.54 C ATOM 453 O GLN A 50 -7.682 21.101 -29.156 1.00 3.89 O ATOM 454 CB GLN A 50 -5.151 22.082 -27.197 1.00 3.98 C ATOM 455 CG GLN A 50 -6.322 22.372 -26.290 1.00 4.38 C ATOM 456 CD GLN A 50 -5.918 22.501 -24.826 1.00 4.46 C ATOM 457 OE1 GLN A 50 -5.115 21.695 -24.328 1.00 4.88 O ATOM 458 NE2 GLN A 50 -6.506 23.409 -24.124 1.00 6.99 N ATOM 459 HE22 GLN A 50 -7.173 24.066 -24.577 1.00 0.00 H ATOM 460 HE21 GLN A 50 -6.314 23.484 -23.105 1.00 0.00 H ATOM 461 H GLN A 50 -7.126 23.251 -29.276 1.00 0.00 H ATOM 462 N PRO A 51 -6.041 19.607 -28.904 1.00 3.70 N ATOM 463 CA PRO A 51 -6.945 18.469 -29.088 1.00 3.74 C ATOM 464 C PRO A 51 -8.015 18.373 -28.001 1.00 3.34 C ATOM 465 O PRO A 51 -7.835 18.846 -26.880 1.00 3.45 O ATOM 466 CB PRO A 51 -6.007 17.255 -29.088 1.00 4.72 C ATOM 467 CG PRO A 51 -4.649 17.769 -29.418 1.00 5.61 C ATOM 468 CD PRO A 51 -4.636 19.148 -28.797 1.00 4.38 C ATOM 469 N ASP A 52 -9.105 17.709 -28.349 1.00 3.43 N ATOM 470 CA ASP A 52 -10.088 17.358 -27.330 1.00 3.42 C ATOM 471 C ASP A 52 -9.458 16.481 -26.252 1.00 3.09 C ATOM 472 O ASP A 52 -8.514 15.728 -26.497 1.00 3.63 O ATOM 473 CB ASP A 52 -11.276 16.635 -27.952 1.00 4.32 C ATOM 474 CG ASP A 52 -12.191 17.501 -28.795 1.00 5.48 C ATOM 475 OD1 ASP A 52 -12.059 18.733 -28.841 1.00 4.75 O ATOM 476 OD2 ASP A 52 -13.051 16.864 -29.455 1.00 10.25 O ATOM 477 H ASP A 52 -9.260 17.439 -29.341 1.00 0.00 H ATOM 478 N TYR A 53 -10.039 16.580 -25.063 1.00 3.02 N ATOM 479 CA TYR A 53 -9.596 15.807 -23.925 1.00 2.87 C ATOM 480 C TYR A 53 -10.334 14.490 -23.764 1.00 2.72 C ATOM 481 O TYR A 53 -11.520 14.373 -24.092 1.00 3.52 O ATOM 482 CB TYR A 53 -9.792 16.622 -22.628 1.00 3.41 C ATOM 483 CG TYR A 53 -8.727 17.667 -22.393 1.00 3.36 C ATOM 484 CD1 TYR A 53 -8.724 18.873 -23.066 1.00 3.93 C ATOM 485 CD2 TYR A 53 -7.704 17.449 -21.514 1.00 4.35 C ATOM 486 CE1 TYR A 53 -7.727 19.797 -22.899 1.00 4.75 C ATOM 487 CE2 TYR A 53 -6.668 18.369 -21.338 1.00 5.15 C ATOM 488 CZ TYR A 53 -6.683 19.543 -22.052 1.00 5.10 C ATOM 489 OH TYR A 53 -5.631 20.424 -21.890 1.00 6.81 O ATOM 490 HH TYR A 53 -5.777 21.219 -22.462 1.00 0.00 H ATOM 491 H TYR A 53 -10.839 17.235 -24.946 1.00 0.00 H ATOM 492 N LEU A 54 -9.611 13.508 -23.209 1.00 2.51 N ATOM 493 CA LEU A 54 -10.257 12.369 -22.586 1.00 2.58 C ATOM 494 C LEU A 54 -10.324 12.775 -21.073 1.00 2.53 C ATOM 495 O LEU A 54 -9.292 13.067 -20.443 1.00 3.35 O ATOM 496 CB LEU A 54 -9.443 11.087 -22.730 1.00 2.95 C ATOM 497 CG LEU A 54 -10.150 9.829 -22.305 1.00 3.79 C ATOM 498 CD1 LEU A 54 -9.402 8.607 -22.884 1.00 4.85 C ATOM 499 CD2 LEU A 54 -10.393 9.659 -20.799 1.00 4.71 C ATOM 500 H LEU A 54 -8.573 13.563 -23.225 1.00 0.00 H ATOM 501 N ASN A 55 -11.550 12.862 -20.537 1.00 2.53 N ATOM 502 CA ASN A 55 -11.768 13.123 -19.107 1.00 2.65 C ATOM 503 C ASN A 55 -12.469 11.938 -18.449 1.00 2.59 C ATOM 504 O ASN A 55 -13.316 11.258 -19.049 1.00 3.29 O ATOM 505 CB ASN A 55 -12.567 14.405 -18.885 1.00 3.20 C ATOM 506 CG ASN A 55 -11.773 15.667 -19.068 1.00 3.00 C ATOM 507 OD1 ASN A 55 -12.062 16.493 -19.936 1.00 3.73 O ATOM 508 ND2 ASN A 55 -10.737 15.840 -18.254 1.00 4.08 N ATOM 509 HD22 ASN A 55 -10.518 15.125 -17.531 1.00 0.00 H ATOM 510 HD21 ASN A 55 -10.145 16.691 -18.340 1.00 0.00 H ATOM 511 H ASN A 55 -12.377 12.740 -21.156 1.00 0.00 H ATOM 512 N ALA A 56 -12.156 11.749 -17.182 1.00 2.71 N ATOM 513 CA ALA A 56 -12.740 10.668 -16.386 1.00 2.73 C ATOM 514 C ALA A 56 -12.631 11.071 -14.904 1.00 2.70 C ATOM 515 O ALA A 56 -12.040 12.117 -14.554 1.00 3.28 O ATOM 516 CB ALA A 56 -12.023 9.360 -16.647 1.00 3.43 C ATOM 517 H ALA A 56 -11.471 12.390 -16.733 1.00 0.00 H ATOM 518 N ALA A 57 -13.199 10.235 -14.047 1.00 2.98 N ATOM 519 CA ALA A 57 -13.068 10.398 -12.600 1.00 3.54 C ATOM 520 C ALA A 57 -12.896 9.024 -11.976 1.00 3.02 C ATOM 521 O ALA A 57 -13.442 8.027 -12.477 1.00 3.21 O ATOM 522 CB ALA A 57 -14.271 11.091 -11.990 1.00 4.81 C ATOM 523 H ALA A 57 -13.756 9.438 -14.415 1.00 0.00 H ATOM 524 N VAL A 58 -12.142 8.984 -10.875 1.00 2.92 N ATOM 525 CA VAL A 58 -12.008 7.771 -10.099 1.00 3.16 C ATOM 526 C VAL A 58 -12.252 8.070 -8.631 1.00 2.76 C ATOM 527 O VAL A 58 -11.956 9.177 -8.129 1.00 3.91 O ATOM 528 CB VAL A 58 -10.627 7.099 -10.248 1.00 5.31 C ATOM 529 CG1 VAL A 58 -10.320 6.760 -11.694 1.00 5.84 C ATOM 530 CG2 VAL A 58 -9.529 7.905 -9.594 1.00 4.58 C ATOM 531 H VAL A 58 -11.641 9.842 -10.569 1.00 0.00 H ATOM 532 N ALA A 59 -12.814 7.086 -7.937 1.00 2.79 N ATOM 533 CA ALA A 59 -12.929 7.090 -6.468 1.00 2.95 C ATOM 534 C ALA A 59 -11.795 6.224 -5.920 1.00 2.88 C ATOM 535 O ALA A 59 -11.700 5.052 -6.301 1.00 3.76 O ATOM 536 CB ALA A 59 -14.280 6.525 -6.049 1.00 3.65 C ATOM 537 H ALA A 59 -13.193 6.270 -8.458 1.00 0.00 H ATOM 538 N LEU A 60 -10.987 6.790 -5.057 1.00 3.48 N ATOM 539 CA LEU A 60 -9.814 6.136 -4.482 1.00 3.85 C ATOM 540 C LEU A 60 -9.949 6.198 -2.974 1.00 3.89 C ATOM 541 O LEU A 60 -9.833 7.281 -2.390 1.00 5.14 O ATOM 542 CB LEU A 60 -8.520 6.819 -4.918 1.00 4.36 C ATOM 543 CG LEU A 60 -7.224 6.105 -4.482 1.00 4.42 C ATOM 544 CD1 LEU A 60 -6.902 4.946 -5.345 1.00 4.97 C ATOM 545 CD2 LEU A 60 -6.067 7.091 -4.432 1.00 5.56 C ATOM 546 H LEU A 60 -11.194 7.766 -4.763 1.00 0.00 H ATOM 547 N GLU A 61 -10.188 5.034 -2.331 1.00 4.05 N ATOM 548 CA GLU A 61 -10.265 5.004 -0.862 1.00 4.67 C ATOM 549 C GLU A 61 -8.854 4.881 -0.313 1.00 5.07 C ATOM 550 O GLU A 61 -8.104 3.989 -0.736 1.00 8.56 O ATOM 551 CB GLU A 61 -11.120 3.852 -0.367 1.00 6.87 C ATOM 552 CG GLU A 61 -11.464 4.026 1.116 1.00 9.54 C ATOM 553 CD GLU A 61 -12.572 3.116 1.575 1.00 12.35 C ATOM 554 OE1 GLU A 61 -12.449 1.967 1.227 1.00 14.29 O ATOM 555 OE2 GLU A 61 -13.540 3.598 2.209 1.00 18.07 O ATOM 556 H GLU A 61 -10.318 4.157 -2.875 1.00 0.00 H ATOM 557 N THR A 62 -8.496 5.796 0.585 1.00 4.36 N ATOM 558 CA THR A 62 -7.139 5.808 1.054 1.00 4.54 C ATOM 559 C THR A 62 -6.982 6.177 2.517 1.00 4.51 C ATOM 560 O THR A 62 -7.822 6.883 3.089 1.00 5.24 O ATOM 561 CB THR A 62 -6.353 6.872 0.210 1.00 4.47 C ATOM 562 OG1 THR A 62 -4.947 6.846 0.522 1.00 4.68 O ATOM 563 CG2 THR A 62 -6.877 8.280 0.448 1.00 5.33 C ATOM 564 HG1 THR A 62 -4.582 5.948 0.320 1.00 0.00 H ATOM 565 H THR A 62 -9.186 6.489 0.940 1.00 0.00 H ATOM 566 N SER A 63 -5.894 5.685 3.123 1.00 4.35 N ATOM 567 CA SER A 63 -5.479 6.139 4.427 1.00 4.67 C ATOM 568 C SER A 63 -4.274 7.046 4.368 1.00 5.08 C ATOM 569 O SER A 63 -3.788 7.466 5.395 1.00 8.33 O ATOM 570 CB SER A 63 -5.214 4.962 5.387 1.00 6.32 C ATOM 571 OG SER A 63 -4.257 4.072 4.871 1.00 7.91 O ATOM 572 HG SER A 63 -3.404 4.554 4.726 1.00 0.00 H ATOM 573 H SER A 63 -5.333 4.955 2.640 1.00 0.00 H ATOM 574 N LEU A 64 -3.826 7.422 3.164 1.00 4.26 N ATOM 575 CA LEU A 64 -2.789 8.430 3.037 1.00 4.13 C ATOM 576 C LEU A 64 -3.259 9.777 3.500 1.00 4.23 C ATOM 577 O LEU A 64 -4.432 10.134 3.347 1.00 5.10 O ATOM 578 CB LEU A 64 -2.344 8.557 1.589 1.00 4.01 C ATOM 579 CG LEU A 64 -1.661 7.357 0.962 1.00 4.62 C ATOM 580 CD1 LEU A 64 -1.411 7.637 -0.499 1.00 5.70 C ATOM 581 CD2 LEU A 64 -0.387 7.005 1.681 1.00 5.72 C ATOM 582 H LEU A 64 -4.226 6.986 2.308 1.00 0.00 H ATOM 583 N ALA A 65 -2.314 10.583 3.986 1.00 4.35 N ATOM 584 CA ALA A 65 -2.575 12.008 4.146 1.00 4.88 C ATOM 585 C ALA A 65 -2.790 12.633 2.780 1.00 4.32 C ATOM 586 O ALA A 65 -2.162 12.197 1.797 1.00 4.37 O ATOM 587 CB ALA A 65 -1.369 12.654 4.837 1.00 6.32 C ATOM 588 H ALA A 65 -1.387 10.193 4.252 1.00 0.00 H ATOM 589 N PRO A 66 -3.573 13.703 2.677 1.00 4.65 N ATOM 590 CA PRO A 66 -3.826 14.296 1.359 1.00 4.79 C ATOM 591 C PRO A 66 -2.611 14.691 0.579 1.00 3.82 C ATOM 592 O PRO A 66 -2.558 14.448 -0.625 1.00 3.84 O ATOM 593 CB PRO A 66 -4.775 15.456 1.698 1.00 6.35 C ATOM 594 CG PRO A 66 -5.216 15.261 3.035 1.00 8.88 C ATOM 595 CD PRO A 66 -4.408 14.304 3.745 1.00 5.70 C ATOM 596 N GLU A 67 -1.631 15.327 1.234 1.00 4.13 N ATOM 597 CA GLU A 67 -0.411 15.726 0.519 1.00 4.41 C ATOM 598 C GLU A 67 0.414 14.502 0.095 1.00 4.10 C ATOM 599 O GLU A 67 1.143 14.554 -0.909 1.00 4.80 O ATOM 600 CB GLU A 67 0.372 16.807 1.249 1.00 5.46 C ATOM 601 CG GLU A 67 -0.435 18.088 1.233 1.00 7.50 C ATOM 602 CD GLU A 67 0.176 19.249 1.977 1.00 10.59 C ATOM 603 OE1 GLU A 67 1.399 19.361 2.043 1.00 13.72 O ATOM 604 OE2 GLU A 67 -0.596 20.081 2.496 1.00 16.16 O ATOM 605 H GLU A 67 -1.733 15.538 2.247 1.00 0.00 H ATOM 606 N GLU A 68 0.350 13.423 0.887 1.00 4.09 N ATOM 607 CA GLU A 68 1.018 12.214 0.479 1.00 4.03 C ATOM 608 C GLU A 68 0.391 11.612 -0.748 1.00 3.86 C ATOM 609 O GLU A 68 1.083 11.061 -1.618 1.00 4.79 O ATOM 610 CB GLU A 68 1.097 11.203 1.638 1.00 5.74 C ATOM 611 CG GLU A 68 1.958 11.615 2.792 1.00 7.49 C ATOM 612 CD GLU A 68 3.385 11.691 2.441 1.00 8.39 C ATOM 613 OE1 GLU A 68 3.969 10.679 1.984 1.00 10.79 O ATOM 614 OE2 GLU A 68 3.945 12.751 2.591 1.00 12.71 O ATOM 615 H GLU A 68 -0.175 13.458 1.784 1.00 0.00 H ATOM 616 N LEU A 69 -0.931 11.695 -0.873 1.00 3.72 N ATOM 617 CA LEU A 69 -1.614 11.291 -2.125 1.00 3.57 C ATOM 618 C LEU A 69 -1.159 12.189 -3.270 1.00 3.08 C ATOM 619 O LEU A 69 -0.854 11.667 -4.372 1.00 3.46 O ATOM 620 CB LEU A 69 -3.121 11.345 -1.919 1.00 3.78 C ATOM 621 CG LEU A 69 -3.941 11.033 -3.195 1.00 4.17 C ATOM 622 CD1 LEU A 69 -3.619 9.661 -3.778 1.00 4.57 C ATOM 623 CD2 LEU A 69 -5.422 11.160 -2.898 1.00 5.31 C ATOM 624 H LEU A 69 -1.497 12.051 -0.076 1.00 0.00 H ATOM 625 N LEU A 70 -1.100 13.505 -3.074 1.00 2.90 N ATOM 626 CA LEU A 70 -0.633 14.405 -4.112 1.00 3.02 C ATOM 627 C LEU A 70 0.768 14.028 -4.594 1.00 2.94 C ATOM 628 O LEU A 70 1.078 14.124 -5.789 1.00 3.27 O ATOM 629 CB LEU A 70 -0.622 15.843 -3.588 1.00 3.15 C ATOM 630 CG LEU A 70 -0.163 16.882 -4.588 1.00 3.80 C ATOM 631 CD1 LEU A 70 -1.124 17.035 -5.762 1.00 4.23 C ATOM 632 CD2 LEU A 70 0.076 18.213 -3.911 1.00 4.20 C ATOM 633 H LEU A 70 -1.395 13.896 -2.157 1.00 0.00 H ATOM 634 N ASN A 71 1.647 13.622 -3.676 1.00 2.89 N ATOM 635 CA ASN A 71 2.977 13.229 -4.124 1.00 3.13 C ATOM 636 C ASN A 71 2.901 12.129 -5.174 1.00 3.16 C ATOM 637 O ASN A 71 3.629 12.151 -6.165 1.00 3.76 O ATOM 638 CB ASN A 71 3.788 12.703 -2.935 1.00 3.89 C ATOM 639 CG ASN A 71 4.151 13.737 -1.942 1.00 4.62 C ATOM 640 OD1 ASN A 71 4.125 14.907 -2.220 1.00 5.42 O ATOM 641 ND2 ASN A 71 4.555 13.276 -0.758 1.00 6.17 N ATOM 642 HD22 ASN A 71 4.557 12.253 -0.571 1.00 0.00 H ATOM 643 HD21 ASN A 71 4.868 13.940 -0.021 1.00 0.00 H ATOM 644 H ASN A 71 1.390 13.587 -2.669 1.00 0.00 H ATOM 645 N HIS A 72 2.051 11.125 -4.919 1.00 3.19 N ATOM 646 CA HIS A 72 1.888 10.034 -5.878 1.00 3.44 C ATOM 647 C HIS A 72 1.272 10.485 -7.186 1.00 3.03 C ATOM 648 O HIS A 72 1.712 10.056 -8.255 1.00 3.60 O ATOM 649 CB HIS A 72 1.054 8.911 -5.258 1.00 3.80 C ATOM 650 CG HIS A 72 1.774 8.153 -4.213 1.00 3.91 C ATOM 651 ND1 HIS A 72 2.708 7.192 -4.518 1.00 5.37 N ATOM 652 CD2 HIS A 72 1.643 8.188 -2.868 1.00 4.76 C ATOM 653 CE1 HIS A 72 3.165 6.714 -3.386 1.00 6.31 C ATOM 654 NE2 HIS A 72 2.535 7.282 -2.372 1.00 5.86 N ATOM 655 H HIS A 72 1.504 11.122 -4.034 1.00 0.00 H ATOM 656 N THR A 73 0.227 11.333 -7.135 1.00 2.86 N ATOM 657 CA THR A 73 -0.370 11.758 -8.391 1.00 3.17 C ATOM 658 C THR A 73 0.583 12.580 -9.237 1.00 2.84 C ATOM 659 O THR A 73 0.632 12.406 -10.464 1.00 3.24 O ATOM 660 CB THR A 73 -1.748 12.457 -8.158 1.00 3.35 C ATOM 661 OG1 THR A 73 -1.567 13.645 -7.403 1.00 3.50 O ATOM 662 CG2 THR A 73 -2.725 11.561 -7.459 1.00 3.98 C ATOM 663 HG1 THR A 73 -0.968 14.260 -7.896 1.00 0.00 H ATOM 664 H THR A 73 -0.142 11.674 -6.224 1.00 0.00 H ATOM 665 N GLN A 74 1.364 13.447 -8.609 1.00 2.63 N ATOM 666 CA GLN A 74 2.359 14.226 -9.351 1.00 2.88 C ATOM 667 C GLN A 74 3.428 13.314 -9.946 1.00 2.87 C ATOM 668 O GLN A 74 3.845 13.483 -11.087 1.00 3.21 O ATOM 669 CB GLN A 74 3.015 15.265 -8.448 1.00 3.05 C ATOM 670 CG GLN A 74 2.068 16.403 -8.104 1.00 3.33 C ATOM 671 CD GLN A 74 2.722 17.456 -7.264 1.00 4.06 C ATOM 672 OE1 GLN A 74 3.729 17.197 -6.563 1.00 5.20 O ATOM 673 NE2 GLN A 74 2.184 18.665 -7.290 1.00 4.67 N ATOM 674 HE22 GLN A 74 1.349 18.850 -7.881 1.00 0.00 H ATOM 675 HE21 GLN A 74 2.597 19.430 -6.719 1.00 0.00 H ATOM 676 H GLN A 74 1.270 13.576 -7.581 1.00 0.00 H ATOM 677 N ARG A 75 3.849 12.314 -9.176 1.00 3.04 N ATOM 678 CA ARG A 75 4.852 11.380 -9.678 1.00 3.16 C ATOM 679 C ARG A 75 4.325 10.661 -10.919 1.00 2.97 C ATOM 680 O ARG A 75 5.039 10.532 -11.938 1.00 3.31 O ATOM 681 CB ARG A 75 5.207 10.331 -8.619 1.00 3.54 C ATOM 682 CG ARG A 75 6.116 9.233 -9.138 1.00 3.85 C ATOM 683 CD ARG A 75 6.389 8.148 -8.097 1.00 4.48 C ATOM 684 NE ARG A 75 5.186 7.616 -7.443 1.00 5.34 N ATOM 685 CZ ARG A 75 4.327 6.749 -7.992 1.00 4.97 C ATOM 686 NH1 ARG A 75 4.529 6.248 -9.218 1.00 5.55 N ATOM 687 NH2 ARG A 75 3.271 6.365 -7.274 1.00 5.77 N ATOM 688 HE ARG A 75 4.986 7.939 -6.475 1.00 0.00 H ATOM 689 HH12 ARG A 75 3.847 5.576 -9.624 1.00 0.00 H ATOM 690 HH11 ARG A 75 5.368 6.532 -9.764 1.00 0.00 H ATOM 691 HH22 ARG A 75 2.587 5.692 -7.675 1.00 0.00 H ATOM 692 HH21 ARG A 75 3.132 6.738 -6.313 1.00 0.00 H ATOM 693 H ARG A 75 3.464 12.198 -8.217 1.00 0.00 H ATOM 694 N ILE A 76 3.065 10.216 -10.871 1.00 2.81 N ATOM 695 CA ILE A 76 2.503 9.500 -12.000 1.00 2.97 C ATOM 696 C ILE A 76 2.442 10.403 -13.251 1.00 2.68 C ATOM 697 O ILE A 76 2.804 9.978 -14.339 1.00 3.17 O ATOM 698 CB ILE A 76 1.116 8.933 -11.628 1.00 3.26 C ATOM 699 CG1 ILE A 76 1.257 7.865 -10.543 1.00 3.57 C ATOM 700 CG2 ILE A 76 0.415 8.364 -12.860 1.00 3.45 C ATOM 701 CD1 ILE A 76 -0.045 7.502 -9.872 1.00 4.19 C ATOM 702 H ILE A 76 2.487 10.384 -10.023 1.00 0.00 H ATOM 703 N GLU A 77 1.993 11.646 -13.077 1.00 2.61 N ATOM 704 CA GLU A 77 2.000 12.580 -14.196 1.00 2.85 C ATOM 705 C GLU A 77 3.391 12.698 -14.815 1.00 2.84 C ATOM 706 O GLU A 77 3.564 12.641 -16.054 1.00 3.31 O ATOM 707 CB GLU A 77 1.524 13.949 -13.730 1.00 3.24 C ATOM 708 CG GLU A 77 0.046 13.996 -13.332 1.00 3.40 C ATOM 709 CD GLU A 77 -0.308 15.295 -12.625 1.00 4.20 C ATOM 710 OE1 GLU A 77 0.441 15.677 -11.628 1.00 5.75 O ATOM 711 OE2 GLU A 77 -1.377 15.842 -12.794 1.00 5.26 O ATOM 712 H GLU A 77 1.639 11.948 -12.147 1.00 0.00 H ATOM 713 N LEU A 78 4.404 12.930 -13.983 1.00 2.80 N ATOM 714 CA LEU A 78 5.758 13.089 -14.463 1.00 3.01 C ATOM 715 C LEU A 78 6.283 11.827 -15.123 1.00 3.03 C ATOM 716 O LEU A 78 7.010 11.906 -16.140 1.00 4.14 O ATOM 717 CB LEU A 78 6.689 13.523 -13.322 1.00 3.30 C ATOM 718 CG LEU A 78 6.389 14.899 -12.755 1.00 4.01 C ATOM 719 CD1 LEU A 78 7.162 15.112 -11.480 1.00 5.26 C ATOM 720 CD2 LEU A 78 6.707 16.000 -13.747 1.00 4.69 C ATOM 721 H LEU A 78 4.216 12.999 -12.962 1.00 0.00 H ATOM 722 N GLN A 79 5.955 10.672 -14.575 1.00 2.98 N ATOM 723 CA GLN A 79 6.400 9.387 -15.160 1.00 3.53 C ATOM 724 C GLN A 79 5.666 9.082 -16.452 1.00 4.04 C ATOM 725 O GLN A 79 6.179 8.276 -17.239 1.00 8.41 O ATOM 726 CB GLN A 79 6.230 8.284 -14.134 1.00 3.78 C ATOM 727 CG GLN A 79 7.244 8.404 -13.020 1.00 3.96 C ATOM 728 CD GLN A 79 7.142 7.355 -11.930 1.00 4.17 C ATOM 729 OE1 GLN A 79 6.084 6.758 -11.708 1.00 5.58 O ATOM 730 NE2 GLN A 79 8.202 7.189 -11.186 1.00 4.70 N ATOM 731 HE22 GLN A 79 9.076 7.709 -11.403 1.00 0.00 H ATOM 732 HE21 GLN A 79 8.172 6.537 -10.376 1.00 0.00 H ATOM 733 H GLN A 79 5.372 10.664 -13.714 1.00 0.00 H ATOM 734 N GLN A 80 4.545 9.740 -16.742 1.00 3.36 N ATOM 735 CA GLN A 80 3.841 9.663 -18.006 1.00 3.77 C ATOM 736 C GLN A 80 4.153 10.844 -18.904 1.00 3.89 C ATOM 737 O GLN A 80 3.381 11.171 -19.827 1.00 5.40 O ATOM 738 CB GLN A 80 2.348 9.440 -17.800 1.00 4.01 C ATOM 739 CG GLN A 80 2.079 8.134 -17.120 1.00 4.59 C ATOM 740 CD GLN A 80 0.647 7.646 -17.069 1.00 4.11 C ATOM 741 OE1 GLN A 80 0.295 6.869 -16.161 1.00 5.11 O ATOM 742 NE2 GLN A 80 -0.172 8.024 -18.019 1.00 4.57 N ATOM 743 HE22 GLN A 80 0.157 8.674 -18.761 1.00 0.00 H ATOM 744 HE21 GLN A 80 -1.151 7.674 -18.031 1.00 0.00 H ATOM 745 H GLN A 80 4.145 10.356 -16.006 1.00 0.00 H ATOM 746 N GLY A 81 5.286 11.464 -18.695 1.00 4.05 N ATOM 747 CA GLY A 81 5.797 12.409 -19.675 1.00 4.71 C ATOM 748 C GLY A 81 5.252 13.787 -19.590 1.00 4.81 C ATOM 749 O GLY A 81 5.520 14.571 -20.541 1.00 6.35 O ATOM 750 H GLY A 81 5.824 11.280 -17.824 1.00 0.00 H ATOM 751 N ARG A 82 4.555 14.148 -18.535 1.00 4.32 N ATOM 752 CA ARG A 82 4.069 15.515 -18.467 1.00 5.05 C ATOM 753 C ARG A 82 5.259 16.505 -18.402 1.00 4.93 C ATOM 754 O ARG A 82 6.195 16.353 -17.580 1.00 5.64 O ATOM 755 CB ARG A 82 3.168 15.748 -17.272 1.00 6.29 C ATOM 756 CG ARG A 82 2.611 17.145 -17.342 1.00 8.40 C ATOM 757 CD ARG A 82 1.433 17.273 -16.476 1.00 10.01 C ATOM 758 NE ARG A 82 0.846 18.606 -16.619 1.00 8.10 N ATOM 759 CZ ARG A 82 -0.181 18.927 -15.844 1.00 7.39 C ATOM 760 NH1 ARG A 82 -0.815 17.982 -15.141 1.00 8.46 N ATOM 761 NH2 ARG A 82 -0.584 20.169 -15.816 1.00 11.01 N ATOM 762 HE ARG A 82 1.225 19.284 -17.311 1.00 0.00 H ATOM 763 HH12 ARG A 82 -1.620 18.237 -14.534 1.00 0.00 H ATOM 764 HH11 ARG A 82 -0.503 16.992 -15.201 1.00 0.00 H ATOM 765 HH22 ARG A 82 -1.388 20.441 -15.215 1.00 0.00 H ATOM 766 HH21 ARG A 82 -0.101 20.886 -16.395 1.00 0.00 H ATOM 767 H ARG A 82 4.357 13.472 -17.769 1.00 0.00 H ATOM 768 N VAL A 83 5.182 17.530 -19.266 1.00 5.49 N ATOM 769 CA VAL A 83 6.200 18.568 -19.426 1.00 6.46 C ATOM 770 C VAL A 83 5.551 19.903 -19.221 1.00 5.56 C ATOM 771 O VAL A 83 4.430 20.153 -19.692 1.00 7.94 O ATOM 772 CB VAL A 83 6.834 18.470 -20.854 1.00 9.02 C ATOM 773 CG1 VAL A 83 7.576 19.698 -21.301 1.00 9.90 C ATOM 774 CG2 VAL A 83 7.741 17.272 -20.873 1.00 10.54 C ATOM 775 H VAL A 83 4.335 17.590 -19.866 1.00 0.00 H ATOM 776 N ARG A 84 6.237 20.785 -18.525 1.00 5.57 N ATOM 777 CA ARG A 84 5.775 22.120 -18.274 1.00 5.66 C ATOM 778 C ARG A 84 6.338 23.052 -19.326 1.00 6.14 C ATOM 779 O ARG A 84 7.589 23.229 -19.446 1.00 7.64 O ATOM 780 CB ARG A 84 6.267 22.572 -16.898 1.00 5.99 C ATOM 781 CG ARG A 84 5.878 24.004 -16.563 1.00 6.37 C ATOM 782 CD ARG A 84 4.410 24.238 -16.404 1.00 6.37 C ATOM 783 NE ARG A 84 3.863 23.482 -15.285 1.00 5.99 N ATOM 784 CZ ARG A 84 2.584 23.324 -15.009 1.00 6.02 C ATOM 785 NH1 ARG A 84 1.660 23.947 -15.719 1.00 6.96 N ATOM 786 NH2 ARG A 84 2.210 22.560 -14.014 1.00 6.36 N ATOM 787 HE ARG A 84 4.544 23.025 -14.646 1.00 0.00 H ATOM 788 HH12 ARG A 84 0.654 23.815 -15.493 1.00 0.00 H ATOM 789 HH11 ARG A 84 1.939 24.569 -16.504 1.00 0.00 H ATOM 790 HH22 ARG A 84 1.199 22.440 -13.802 1.00 0.00 H ATOM 791 HH21 ARG A 84 2.924 22.073 -13.435 1.00 0.00 H ATOM 792 H ARG A 84 7.159 20.500 -18.138 1.00 0.00 H ATOM 793 N LYS A 85 5.472 23.661 -20.082 1.00 8.08 N ATOM 794 CA LYS A 85 5.782 24.677 -21.044 1.00 8.72 C ATOM 795 C LYS A 85 5.228 26.028 -20.580 1.00 9.86 C ATOM 796 O LYS A 85 4.576 26.195 -19.580 1.00 11.50 O ATOM 797 CB LYS A 85 5.258 24.372 -22.427 1.00 10.73 C ATOM 798 CG LYS A 85 5.895 23.146 -23.085 1.00 11.11 C ATOM 799 CD LYS A 85 5.351 23.028 -24.497 1.00 14.07 C ATOM 800 CE LYS A 85 5.834 21.841 -25.239 1.00 16.37 C ATOM 801 NZ LYS A 85 5.281 21.861 -26.645 1.00 19.71 N ATOM 802 HZ1 LYS A 85 4.242 21.846 -26.608 1.00 0.00 H ATOM 803 HZ2 LYS A 85 5.599 22.725 -27.129 1.00 0.00 H ATOM 804 HZ3 LYS A 85 5.623 21.026 -27.162 1.00 0.00 H ATOM 805 H LYS A 85 4.474 23.388 -19.980 1.00 0.00 H ATOM 806 N ALA A 86 5.495 27.079 -21.339 1.00 10.93 N ATOM 807 CA ALA A 86 5.143 28.470 -21.001 1.00 11.10 C ATOM 808 C ALA A 86 3.684 28.728 -20.997 1.00 8.59 C ATOM 809 O ALA A 86 3.185 29.574 -20.210 1.00 12.62 O ATOM 810 CB ALA A 86 5.947 29.423 -21.895 1.00 14.29 C ATOM 811 H ALA A 86 5.989 26.911 -22.239 1.00 0.00 H ATOM 812 N GLU A 87 2.948 28.257 -22.004 1.00 8.95 N ATOM 813 CA GLU A 87 1.574 28.682 -22.223 1.00 8.12 C ATOM 814 C GLU A 87 0.701 28.210 -21.075 1.00 7.22 C ATOM 815 O GLU A 87 0.772 27.056 -20.661 1.00 8.63 O ATOM 816 CB GLU A 87 1.031 28.159 -23.563 1.00 8.85 C ATOM 817 CG GLU A 87 -0.422 28.553 -23.756 1.00 8.96 C ATOM 818 CD GLU A 87 -1.039 28.299 -25.129 1.00 9.01 C ATOM 819 OE1 GLU A 87 -0.328 27.864 -26.059 1.00 11.19 O ATOM 820 OE2 GLU A 87 -2.254 28.488 -25.274 1.00 8.76 O ATOM 821 H GLU A 87 3.370 27.563 -22.654 1.00 0.00 H ATOM 822 N ARG A 88 -0.096 29.086 -20.544 1.00 5.58 N ATOM 823 CA ARG A 88 -1.043 28.723 -19.566 1.00 5.23 C ATOM 824 C ARG A 88 -2.025 27.684 -20.088 1.00 4.94 C ATOM 825 O ARG A 88 -2.560 27.816 -21.202 1.00 5.86 O ATOM 826 CB ARG A 88 -1.806 29.950 -19.114 1.00 5.39 C ATOM 827 CG ARG A 88 -2.692 29.701 -17.896 1.00 5.87 C ATOM 828 CD ARG A 88 -3.444 30.918 -17.460 1.00 6.23 C ATOM 829 NE ARG A 88 -4.111 30.629 -16.225 1.00 6.84 N ATOM 830 CZ ARG A 88 -4.892 31.464 -15.589 1.00 5.94 C ATOM 831 NH1 ARG A 88 -5.112 32.661 -16.084 1.00 5.88 N ATOM 832 NH2 ARG A 88 -5.442 31.122 -14.435 1.00 8.06 N ATOM 833 HE ARG A 88 -3.964 29.689 -15.805 1.00 0.00 H ATOM 834 HH12 ARG A 88 -5.733 33.326 -15.580 1.00 0.00 H ATOM 835 HH11 ARG A 88 -4.666 32.943 -16.980 1.00 0.00 H ATOM 836 HH22 ARG A 88 -6.062 31.791 -13.936 1.00 0.00 H ATOM 837 HH21 ARG A 88 -5.255 30.184 -14.027 1.00 0.00 H ATOM 838 H ARG A 88 -0.034 30.079 -20.847 1.00 0.00 H ATOM 839 N TRP A 89 -2.318 26.665 -19.286 1.00 5.49 N ATOM 840 CA TRP A 89 -3.349 25.700 -19.584 1.00 6.17 C ATOM 841 C TRP A 89 -3.075 25.014 -20.915 1.00 7.92 C ATOM 842 O TRP A 89 -3.993 24.823 -21.727 1.00 10.63 O ATOM 843 CB TRP A 89 -4.748 26.328 -19.518 1.00 5.71 C ATOM 844 CG TRP A 89 -5.248 26.612 -18.127 1.00 4.87 C ATOM 845 CD1 TRP A 89 -5.163 25.821 -17.023 1.00 5.15 C ATOM 846 CD2 TRP A 89 -6.070 27.730 -17.744 1.00 4.90 C ATOM 847 NE1 TRP A 89 -5.858 26.361 -15.976 1.00 5.79 N ATOM 848 CE2 TRP A 89 -6.424 27.531 -16.392 1.00 5.32 C ATOM 849 CE3 TRP A 89 -6.525 28.846 -18.386 1.00 5.68 C ATOM 850 CZ2 TRP A 89 -7.295 28.392 -15.732 1.00 6.36 C ATOM 851 CZ3 TRP A 89 -7.359 29.722 -17.717 1.00 6.81 C ATOM 852 CH2 TRP A 89 -7.725 29.488 -16.404 1.00 6.84 C ATOM 853 HE1 TRP A 89 -5.941 25.950 -15.024 1.00 0.00 H ATOM 854 H TRP A 89 -1.779 26.558 -18.403 1.00 0.00 H ATOM 855 N GLY A 90 -1.821 24.619 -21.140 1.00 9.73 N ATOM 856 CA GLY A 90 -1.443 23.911 -22.329 1.00 9.48 C ATOM 857 C GLY A 90 -1.973 22.473 -22.362 1.00 6.92 C ATOM 858 O GLY A 90 -2.355 21.918 -21.333 1.00 6.74 O ATOM 859 H GLY A 90 -1.092 24.832 -20.429 1.00 0.00 H ATOM 860 N PRO A 91 -1.859 21.811 -23.528 1.00 5.44 N ATOM 861 CA PRO A 91 -2.152 20.391 -23.581 1.00 4.95 C ATOM 862 C PRO A 91 -1.208 19.600 -22.714 1.00 3.78 C ATOM 863 O PRO A 91 -0.091 20.049 -22.419 1.00 4.67 O ATOM 864 CB PRO A 91 -2.003 20.061 -25.065 1.00 6.18 C ATOM 865 CG PRO A 91 -1.111 21.121 -25.618 1.00 7.45 C ATOM 866 CD PRO A 91 -1.459 22.342 -24.820 1.00 7.49 C ATOM 867 N ARG A 92 -1.672 18.394 -22.306 1.00 3.55 N ATOM 868 CA ARG A 92 -0.799 17.585 -21.421 1.00 3.69 C ATOM 869 C ARG A 92 -1.071 16.134 -21.626 1.00 3.31 C ATOM 870 O ARG A 92 -2.218 15.716 -21.954 1.00 3.65 O ATOM 871 CB ARG A 92 -0.898 17.952 -19.907 1.00 4.20 C ATOM 872 CG ARG A 92 -2.184 17.547 -19.208 1.00 4.83 C ATOM 873 CD ARG A 92 -3.453 18.245 -19.694 1.00 5.17 C ATOM 874 NE ARG A 92 -3.312 19.695 -19.660 1.00 5.95 N ATOM 875 CZ ARG A 92 -3.535 20.467 -18.580 1.00 7.62 C ATOM 876 NH1 ARG A 92 -4.047 19.946 -17.418 1.00 10.09 N ATOM 877 NH2 ARG A 92 -3.184 21.794 -18.601 1.00 9.64 N ATOM 878 HE ARG A 92 -3.017 20.170 -20.537 1.00 0.00 H ATOM 879 HH12 ARG A 92 -4.210 20.565 -16.598 1.00 0.00 H ATOM 880 HH11 ARG A 92 -4.272 18.932 -17.357 1.00 0.00 H ATOM 881 HH22 ARG A 92 -3.356 22.391 -17.767 1.00 0.00 H ATOM 882 HH21 ARG A 92 -2.746 22.203 -19.451 1.00 0.00 H ATOM 883 H ARG A 92 -2.607 18.048 -22.603 1.00 0.00 H ATOM 884 N THR A 93 -0.048 15.300 -21.359 1.00 3.23 N ATOM 885 CA THR A 93 -0.212 13.879 -21.423 1.00 3.30 C ATOM 886 C THR A 93 -1.131 13.319 -20.309 1.00 2.94 C ATOM 887 O THR A 93 -1.883 12.384 -20.562 1.00 3.56 O ATOM 888 CB THR A 93 1.173 13.162 -21.325 1.00 4.04 C ATOM 889 OG1 THR A 93 1.785 13.584 -20.142 1.00 4.51 O ATOM 890 CG2 THR A 93 2.025 13.432 -22.521 1.00 5.03 C ATOM 891 HG1 THR A 93 2.667 13.144 -20.053 1.00 0.00 H ATOM 892 H THR A 93 0.879 15.695 -21.101 1.00 0.00 H ATOM 893 N LEU A 94 -1.029 13.888 -19.107 1.00 3.00 N ATOM 894 CA LEU A 94 -1.809 13.402 -18.008 1.00 2.90 C ATOM 895 C LEU A 94 -1.923 14.512 -16.979 1.00 2.85 C ATOM 896 O LEU A 94 -0.941 15.128 -16.594 1.00 3.85 O ATOM 897 CB LEU A 94 -1.185 12.166 -17.348 1.00 3.30 C ATOM 898 CG LEU A 94 -2.089 11.488 -16.313 1.00 3.64 C ATOM 899 CD1 LEU A 94 -3.256 10.783 -17.005 1.00 4.58 C ATOM 900 CD2 LEU A 94 -1.300 10.514 -15.466 1.00 4.01 C ATOM 901 H LEU A 94 -0.380 14.688 -18.967 1.00 0.00 H ATOM 902 N ASP A 95 -3.177 14.657 -16.480 1.00 3.23 N ATOM 903 CA ASP A 95 -3.503 15.589 -15.388 1.00 2.98 C ATOM 904 C ASP A 95 -4.338 14.834 -14.389 1.00 2.99 C ATOM 905 O ASP A 95 -5.409 14.335 -14.747 1.00 3.94 O ATOM 906 CB ASP A 95 -4.250 16.801 -15.961 1.00 3.64 C ATOM 907 CG ASP A 95 -4.533 17.859 -14.949 1.00 3.96 C ATOM 908 OD1 ASP A 95 -3.599 18.215 -14.206 1.00 4.89 O ATOM 909 OD2 ASP A 95 -5.713 18.357 -14.948 1.00 5.25 O ATOM 910 H ASP A 95 -3.943 14.083 -16.888 1.00 0.00 H ATOM 911 N LEU A 96 -3.870 14.801 -13.157 1.00 2.78 N ATOM 912 CA LEU A 96 -4.556 14.151 -12.035 1.00 2.88 C ATOM 913 C LEU A 96 -4.847 15.203 -10.982 1.00 3.25 C ATOM 914 O LEU A 96 -3.946 15.652 -10.266 1.00 4.44 O ATOM 915 CB LEU A 96 -3.702 13.010 -11.457 1.00 3.24 C ATOM 916 CG LEU A 96 -3.385 11.878 -12.376 1.00 3.51 C ATOM 917 CD1 LEU A 96 -2.465 10.893 -11.692 1.00 3.72 C ATOM 918 CD2 LEU A 96 -4.630 11.162 -12.881 1.00 4.21 C ATOM 919 H LEU A 96 -2.958 15.264 -12.969 1.00 0.00 H ATOM 920 N ASP A 97 -6.103 15.647 -10.921 1.00 3.34 N ATOM 921 CA ASP A 97 -6.520 16.660 -9.962 1.00 3.44 C ATOM 922 C ASP A 97 -7.277 15.995 -8.831 1.00 3.35 C ATOM 923 O ASP A 97 -8.186 15.177 -9.057 1.00 4.06 O ATOM 924 CB ASP A 97 -7.435 17.694 -10.613 1.00 4.11 C ATOM 925 CG ASP A 97 -6.782 18.620 -11.604 1.00 5.21 C ATOM 926 OD1 ASP A 97 -5.547 18.697 -11.610 1.00 6.10 O ATOM 927 OD2 ASP A 97 -7.566 19.281 -12.351 1.00 7.96 O ATOM 928 H ASP A 97 -6.807 15.257 -11.580 1.00 0.00 H ATOM 929 N ILE A 98 -6.928 16.332 -7.581 1.00 3.12 N ATOM 930 CA ILE A 98 -7.686 15.851 -6.436 1.00 3.36 C ATOM 931 C ILE A 98 -8.891 16.776 -6.315 1.00 3.23 C ATOM 932 O ILE A 98 -8.773 17.928 -5.922 1.00 4.48 O ATOM 933 CB ILE A 98 -6.834 15.820 -5.183 1.00 4.25 C ATOM 934 CG1 ILE A 98 -5.657 14.856 -5.368 1.00 5.16 C ATOM 935 CG2 ILE A 98 -7.701 15.402 -4.007 1.00 5.26 C ATOM 936 CD1 ILE A 98 -4.595 14.915 -4.277 1.00 6.57 C ATOM 937 H ILE A 98 -6.103 16.946 -7.428 1.00 0.00 H ATOM 938 N MET A 99 -10.063 16.258 -6.675 1.00 3.10 N ATOM 939 CA MET A 99 -11.293 17.068 -6.611 1.00 3.33 C ATOM 940 C MET A 99 -11.753 17.246 -5.181 1.00 3.29 C ATOM 941 O MET A 99 -12.058 18.357 -4.742 1.00 3.41 O ATOM 942 CB MET A 99 -12.400 16.472 -7.463 1.00 3.64 C ATOM 943 CG MET A 99 -12.134 16.573 -8.932 1.00 4.09 C ATOM 944 SD MET A 99 -13.539 16.059 -9.966 1.00 4.51 S ATOM 945 CE MET A 99 -13.519 14.275 -9.689 1.00 4.88 C ATOM 946 H MET A 99 -10.111 15.273 -7.004 1.00 0.00 H ATOM 947 N LEU A 100 -11.865 16.114 -4.483 1.00 3.43 N ATOM 948 CA LEU A 100 -12.391 16.048 -3.117 1.00 3.42 C ATOM 949 C LEU A 100 -11.596 15.029 -2.365 1.00 3.02 C ATOM 950 O LEU A 100 -11.129 14.034 -2.911 1.00 3.52 O ATOM 951 CB LEU A 100 -13.871 15.643 -3.154 1.00 4.08 C ATOM 952 CG LEU A 100 -14.795 16.649 -3.817 1.00 5.21 C ATOM 953 CD1 LEU A 100 -16.126 16.022 -4.140 1.00 6.57 C ATOM 954 CD2 LEU A 100 -14.960 17.903 -2.970 1.00 5.94 C ATOM 955 H LEU A 100 -11.561 15.228 -4.935 1.00 0.00 H ATOM 956 N PHE A 101 -11.472 15.265 -1.064 1.00 3.58 N ATOM 957 CA PHE A 101 -10.805 14.327 -0.153 1.00 4.06 C ATOM 958 C PHE A 101 -11.790 14.129 1.003 1.00 4.50 C ATOM 959 O PHE A 101 -11.763 14.877 1.974 1.00 5.13 O ATOM 960 CB PHE A 101 -9.458 14.874 0.299 1.00 4.73 C ATOM 961 CG PHE A 101 -8.604 13.838 0.961 1.00 5.20 C ATOM 962 CD1 PHE A 101 -8.676 13.615 2.315 1.00 6.89 C ATOM 963 CD2 PHE A 101 -7.732 13.041 0.210 1.00 5.68 C ATOM 964 CE1 PHE A 101 -7.910 12.627 2.895 1.00 8.83 C ATOM 965 CE2 PHE A 101 -6.957 12.058 0.829 1.00 7.12 C ATOM 966 CZ PHE A 101 -7.043 11.867 2.151 1.00 7.97 C ATOM 967 H PHE A 101 -11.862 16.148 -0.676 1.00 0.00 H ATOM 968 N GLY A 102 -12.725 13.201 0.844 1.00 6.79 N ATOM 969 CA GLY A 102 -13.868 13.104 1.746 1.00 7.84 C ATOM 970 C GLY A 102 -14.561 14.432 1.846 1.00 7.05 C ATOM 971 O GLY A 102 -14.799 15.107 0.860 1.00 7.90 O ATOM 972 H GLY A 102 -12.641 12.526 0.057 1.00 0.00 H ATOM 973 N ASN A 103 -14.851 14.832 3.091 1.00 7.53 N ATOM 974 CA ASN A 103 -15.470 16.068 3.401 1.00 8.36 C ATOM 975 C ASN A 103 -14.435 17.172 3.776 1.00 7.49 C ATOM 976 O ASN A 103 -14.834 18.258 4.260 1.00 10.01 O ATOM 977 CB ASN A 103 -16.479 15.862 4.590 1.00 10.70 C ATOM 978 CG ASN A 103 -17.541 14.698 4.420 1.00 12.96 C ATOM 979 OD1 ASN A 103 -17.808 13.881 5.327 1.00 18.07 O ATOM 980 ND2 ASN A 103 -18.122 14.653 3.246 1.00 14.55 N ATOM 981 HD22 ASN A 103 -17.874 15.351 2.516 1.00 0.00 H ATOM 982 HD21 ASN A 103 -18.831 13.920 3.045 1.00 0.00 H ATOM 983 H ASN A 103 -14.607 14.197 3.878 1.00 0.00 H ATOM 984 N GLU A 104 -13.127 16.911 3.575 1.00 7.00 N ATOM 985 CA GLU A 104 -12.128 17.828 4.035 1.00 7.49 C ATOM 986 C GLU A 104 -12.008 19.089 3.194 1.00 7.17 C ATOM 987 O GLU A 104 -12.244 19.075 1.951 1.00 8.07 O ATOM 988 CB GLU A 104 -10.738 17.167 4.107 1.00 8.05 C ATOM 989 CG GLU A 104 -10.745 15.987 5.056 1.00 8.59 C ATOM 990 CD GLU A 104 -9.395 15.472 5.448 1.00 9.45 C ATOM 991 OE1 GLU A 104 -8.408 16.233 5.417 1.00 12.88 O ATOM 992 OE2 GLU A 104 -9.311 14.293 5.848 1.00 11.01 O ATOM 993 H GLU A 104 -12.843 16.040 3.084 1.00 0.00 H ATOM 994 N VAL A 105 -11.646 20.171 3.854 1.00 6.55 N ATOM 995 CA VAL A 105 -11.349 21.462 3.211 1.00 6.71 C ATOM 996 C VAL A 105 -9.889 21.741 3.517 1.00 7.03 C ATOM 997 O VAL A 105 -9.487 21.864 4.679 1.00 9.56 O ATOM 998 CB VAL A 105 -12.273 22.588 3.744 1.00 7.59 C ATOM 999 CG1 VAL A 105 -11.881 23.934 3.160 1.00 8.87 C ATOM 1000 CG2 VAL A 105 -13.696 22.230 3.464 1.00 8.53 C ATOM 1001 H VAL A 105 -11.565 20.109 4.889 1.00 0.00 H ATOM 1002 N ILE A 106 -9.070 21.785 2.454 1.00 6.29 N ATOM 1003 CA ILE A 106 -7.622 21.847 2.567 1.00 6.75 C ATOM 1004 C ILE A 106 -7.136 23.069 1.844 1.00 6.35 C ATOM 1005 O ILE A 106 -7.483 23.283 0.684 1.00 6.32 O ATOM 1006 CB ILE A 106 -6.982 20.578 1.980 1.00 7.46 C ATOM 1007 CG1 ILE A 106 -7.535 19.343 2.675 1.00 8.38 C ATOM 1008 CG2 ILE A 106 -5.481 20.641 2.088 1.00 8.49 C ATOM 1009 CD1 ILE A 106 -7.223 18.049 1.988 1.00 9.88 C ATOM 1010 H ILE A 106 -9.492 21.774 1.504 1.00 0.00 H ATOM 1011 N ASN A 107 -6.338 23.883 2.566 1.00 7.65 N ATOM 1012 CA ASN A 107 -5.761 25.090 1.998 1.00 8.07 C ATOM 1013 C ASN A 107 -4.335 25.123 2.453 1.00 8.43 C ATOM 1014 O ASN A 107 -4.018 25.683 3.523 1.00 12.46 O ATOM 1015 CB ASN A 107 -6.500 26.330 2.513 1.00 9.54 C ATOM 1016 CG ASN A 107 -7.907 26.378 1.983 1.00 10.45 C ATOM 1017 OD1 ASN A 107 -8.124 26.487 0.764 1.00 11.82 O ATOM 1018 ND2 ASN A 107 -8.872 26.308 2.893 1.00 14.40 N ATOM 1019 HD22 ASN A 107 -8.631 26.217 3.901 1.00 0.00 H ATOM 1020 HD21 ASN A 107 -9.869 26.344 2.598 1.00 0.00 H ATOM 1021 H ASN A 107 -6.130 23.640 3.556 1.00 0.00 H ATOM 1022 N THR A 108 -3.432 24.531 1.689 1.00 7.47 N ATOM 1023 CA THR A 108 -2.014 24.480 1.996 1.00 7.23 C ATOM 1024 C THR A 108 -1.234 24.957 0.793 1.00 6.31 C ATOM 1025 O THR A 108 -1.809 25.308 -0.230 1.00 6.36 O ATOM 1026 CB THR A 108 -1.601 23.035 2.346 1.00 8.32 C ATOM 1027 OG1 THR A 108 -1.808 22.231 1.173 1.00 9.02 O ATOM 1028 CG2 THR A 108 -2.378 22.525 3.529 1.00 10.21 C ATOM 1029 HG1 THR A 108 -1.551 21.295 1.367 1.00 0.00 H ATOM 1030 H THR A 108 -3.758 24.074 0.814 1.00 0.00 H ATOM 1031 N GLU A 109 0.103 25.001 0.892 1.00 5.86 N ATOM 1032 CA GLU A 109 0.849 25.525 -0.227 1.00 5.32 C ATOM 1033 C GLU A 109 0.652 24.685 -1.487 1.00 5.61 C ATOM 1034 O GLU A 109 0.562 25.217 -2.579 1.00 7.00 O ATOM 1035 CB GLU A 109 2.355 25.591 0.089 1.00 5.67 C ATOM 1036 CG GLU A 109 2.723 26.628 1.117 1.00 5.47 C ATOM 1037 CD GLU A 109 2.519 28.047 0.696 1.00 5.32 C ATOM 1038 OE1 GLU A 109 2.355 28.289 -0.535 1.00 9.06 O ATOM 1039 OE2 GLU A 109 2.587 28.935 1.555 1.00 4.82 O ATOM 1040 H GLU A 109 0.588 24.667 1.750 1.00 0.00 H ATOM 1041 N ARG A 110 0.601 23.366 -1.352 1.00 5.60 N ATOM 1042 CA ARG A 110 0.551 22.493 -2.505 1.00 5.66 C ATOM 1043 C ARG A 110 -0.863 22.006 -2.835 1.00 5.31 C ATOM 1044 O ARG A 110 -1.042 21.482 -3.953 1.00 6.14 O ATOM 1045 CB ARG A 110 1.470 21.283 -2.271 1.00 5.68 C ATOM 1046 CG ARG A 110 2.950 21.685 -2.211 1.00 6.19 C ATOM 1047 CD ARG A 110 3.801 20.502 -1.872 1.00 6.96 C ATOM 1048 NE ARG A 110 3.778 19.459 -2.894 1.00 6.96 N ATOM 1049 CZ ARG A 110 3.660 18.171 -2.710 1.00 6.31 C ATOM 1050 NH1 ARG A 110 3.561 17.649 -1.486 1.00 6.60 N ATOM 1051 NH2 ARG A 110 3.692 17.350 -3.763 1.00 6.90 N ATOM 1052 HE ARG A 110 3.865 19.778 -3.880 1.00 0.00 H ATOM 1053 HH12 ARG A 110 3.468 16.620 -1.365 1.00 0.00 H ATOM 1054 HH11 ARG A 110 3.577 18.271 -0.653 1.00 0.00 H ATOM 1055 HH22 ARG A 110 3.599 16.323 -3.625 1.00 0.00 H ATOM 1056 HH21 ARG A 110 3.810 17.737 -4.721 1.00 0.00 H ATOM 1057 H ARG A 110 0.597 22.951 -0.398 1.00 0.00 H ATOM 1058 N LEU A 111 -1.786 22.112 -1.897 1.00 5.66 N ATOM 1059 CA LEU A 111 -3.106 21.573 -2.150 1.00 6.89 C ATOM 1060 C LEU A 111 -4.241 22.504 -1.763 1.00 7.55 C ATOM 1061 O LEU A 111 -4.295 23.041 -0.643 1.00 10.62 O ATOM 1062 CB LEU A 111 -3.159 20.271 -1.335 1.00 10.51 C ATOM 1063 CG LEU A 111 -4.113 19.163 -1.612 1.00 10.00 C ATOM 1064 CD1 LEU A 111 -4.089 18.850 -3.109 1.00 9.29 C ATOM 1065 CD2 LEU A 111 -3.697 17.935 -0.787 1.00 7.49 C ATOM 1066 H LEU A 111 -1.569 22.575 -0.991 1.00 0.00 H ATOM 1067 N THR A 112 -5.193 22.661 -2.687 1.00 6.22 N ATOM 1068 CA THR A 112 -6.457 23.355 -2.447 1.00 6.48 C ATOM 1069 C THR A 112 -7.578 22.376 -2.808 1.00 5.12 C ATOM 1070 O THR A 112 -7.702 21.982 -3.985 1.00 4.89 O ATOM 1071 CB THR A 112 -6.578 24.641 -3.283 1.00 7.62 C ATOM 1072 OG1 THR A 112 -5.579 25.561 -2.862 1.00 10.14 O ATOM 1073 CG2 THR A 112 -7.952 25.272 -3.182 1.00 9.14 C ATOM 1074 HG1 THR A 112 -4.684 25.158 -2.995 1.00 0.00 H ATOM 1075 H THR A 112 -5.025 22.266 -3.634 1.00 0.00 H ATOM 1076 N VAL A 113 -8.343 21.951 -1.796 1.00 4.76 N ATOM 1077 CA VAL A 113 -9.425 20.996 -1.937 1.00 4.06 C ATOM 1078 C VAL A 113 -10.605 21.531 -1.181 1.00 4.32 C ATOM 1079 O VAL A 113 -10.423 22.000 -0.038 1.00 5.17 O ATOM 1080 CB VAL A 113 -9.012 19.617 -1.369 1.00 4.78 C ATOM 1081 CG1 VAL A 113 -10.162 18.633 -1.445 1.00 6.04 C ATOM 1082 CG2 VAL A 113 -7.793 19.061 -2.107 1.00 6.15 C ATOM 1083 H VAL A 113 -8.149 22.330 -0.847 1.00 0.00 H ATOM 1084 N PRO A 114 -11.819 21.545 -1.743 1.00 4.29 N ATOM 1085 CA PRO A 114 -12.177 21.038 -3.071 1.00 3.92 C ATOM 1086 C PRO A 114 -11.435 21.800 -4.164 1.00 3.59 C ATOM 1087 O PRO A 114 -11.029 22.988 -4.020 1.00 4.15 O ATOM 1088 CB PRO A 114 -13.717 21.361 -3.141 1.00 4.81 C ATOM 1089 CG PRO A 114 -14.156 21.302 -1.689 1.00 5.54 C ATOM 1090 CD PRO A 114 -12.997 21.910 -0.921 1.00 5.30 C ATOM 1091 N HIS A 115 -11.255 21.126 -5.298 1.00 3.64 N ATOM 1092 CA HIS A 115 -10.675 21.795 -6.447 1.00 3.61 C ATOM 1093 C HIS A 115 -11.431 23.074 -6.688 1.00 3.64 C ATOM 1094 O HIS A 115 -12.655 23.109 -6.702 1.00 4.01 O ATOM 1095 CB HIS A 115 -10.721 20.862 -7.669 1.00 3.96 C ATOM 1096 CG HIS A 115 -10.177 21.473 -8.910 1.00 4.23 C ATOM 1097 ND1 HIS A 115 -10.833 22.449 -9.614 1.00 4.82 N ATOM 1098 CD2 HIS A 115 -9.022 21.208 -9.578 1.00 5.71 C ATOM 1099 CE1 HIS A 115 -10.080 22.769 -10.650 1.00 5.23 C ATOM 1100 NE2 HIS A 115 -8.998 22.010 -10.669 1.00 5.76 N ATOM 1101 H HIS A 115 -11.529 20.125 -5.360 1.00 0.00 H ATOM 1102 N TYR A 116 -10.667 24.159 -6.910 1.00 3.84 N ATOM 1103 CA TYR A 116 -11.194 25.515 -6.886 1.00 4.29 C ATOM 1104 C TYR A 116 -12.295 25.773 -7.895 1.00 4.67 C ATOM 1105 O TYR A 116 -13.047 26.739 -7.713 1.00 7.35 O ATOM 1106 CB TYR A 116 -10.081 26.539 -7.044 1.00 4.93 C ATOM 1107 CG TYR A 116 -9.568 26.697 -8.451 1.00 4.80 C ATOM 1108 CD1 TYR A 116 -8.803 25.726 -9.082 1.00 5.28 C ATOM 1109 CD2 TYR A 116 -9.866 27.828 -9.199 1.00 5.90 C ATOM 1110 CE1 TYR A 116 -8.330 25.860 -10.368 1.00 5.37 C ATOM 1111 CE2 TYR A 116 -9.415 27.973 -10.506 1.00 5.76 C ATOM 1112 CZ TYR A 116 -8.658 26.987 -11.097 1.00 5.20 C ATOM 1113 OH TYR A 116 -8.196 27.177 -12.383 1.00 6.04 O ATOM 1114 HH TYR A 116 -7.620 27.982 -12.410 1.00 0.00 H ATOM 1115 H TYR A 116 -9.655 24.022 -7.107 1.00 0.00 H ATOM 1116 N ASP A 117 -12.340 25.059 -9.002 1.00 3.71 N ATOM 1117 CA ASP A 117 -13.273 25.382 -10.092 1.00 3.87 C ATOM 1118 C ASP A 117 -14.140 24.216 -10.487 1.00 3.59 C ATOM 1119 O ASP A 117 -14.896 24.313 -11.462 1.00 4.14 O ATOM 1120 CB ASP A 117 -12.548 25.935 -11.320 1.00 4.31 C ATOM 1121 CG ASP A 117 -13.472 26.675 -12.262 1.00 4.54 C ATOM 1122 OD1 ASP A 117 -14.299 27.463 -11.761 1.00 5.65 O ATOM 1123 OD2 ASP A 117 -13.305 26.516 -13.510 1.00 4.99 O ATOM 1124 H ASP A 117 -11.699 24.247 -9.107 1.00 0.00 H ATOM 1125 N MET A 118 -14.120 23.110 -9.727 1.00 3.63 N ATOM 1126 CA MET A 118 -14.832 21.912 -10.190 1.00 3.60 C ATOM 1127 C MET A 118 -16.340 22.126 -10.329 1.00 3.49 C ATOM 1128 O MET A 118 -16.954 21.491 -11.180 1.00 4.01 O ATOM 1129 CB MET A 118 -14.540 20.719 -9.291 1.00 3.65 C ATOM 1130 CG MET A 118 -15.019 20.873 -7.873 1.00 3.89 C ATOM 1131 SD MET A 118 -14.646 19.428 -6.836 1.00 4.17 S ATOM 1132 CE MET A 118 -15.703 18.217 -7.582 1.00 4.58 C ATOM 1133 H MET A 118 -13.607 23.101 -8.822 1.00 0.00 H ATOM 1134 N LYS A 119 -16.925 23.000 -9.491 1.00 3.53 N ATOM 1135 CA LYS A 119 -18.387 23.195 -9.553 1.00 4.04 C ATOM 1136 C LYS A 119 -18.833 23.933 -10.807 1.00 3.57 C ATOM 1137 O LYS A 119 -20.010 24.063 -11.043 1.00 4.73 O ATOM 1138 CB LYS A 119 -18.905 23.905 -8.306 1.00 4.35 C ATOM 1139 CG LYS A 119 -18.753 23.138 -7.019 1.00 4.76 C ATOM 1140 CD LYS A 119 -19.441 23.857 -5.847 1.00 5.80 C ATOM 1141 CE LYS A 119 -19.425 23.064 -4.563 1.00 6.52 C ATOM 1142 NZ LYS A 119 -20.125 23.783 -3.463 1.00 7.44 N ATOM 1143 HZ1 LYS A 119 -19.654 24.694 -3.291 1.00 0.00 H ATOM 1144 HZ2 LYS A 119 -21.115 23.949 -3.734 1.00 0.00 H ATOM 1145 HZ3 LYS A 119 -20.093 23.207 -2.598 1.00 0.00 H ATOM 1146 H LYS A 119 -16.353 23.534 -8.806 1.00 0.00 H ATOM 1147 N ASN A 120 -17.857 24.412 -11.620 1.00 3.54 N ATOM 1148 CA ASN A 120 -18.132 25.117 -12.856 1.00 3.91 C ATOM 1149 C ASN A 120 -17.673 24.357 -14.078 1.00 4.07 C ATOM 1150 O ASN A 120 -17.595 24.966 -15.153 1.00 5.08 O ATOM 1151 CB ASN A 120 -17.485 26.488 -12.823 1.00 4.57 C ATOM 1152 CG ASN A 120 -17.923 27.277 -11.637 1.00 5.59 C ATOM 1153 OD1 ASN A 120 -19.142 27.512 -11.489 1.00 6.77 O ATOM 1154 ND2 ASN A 120 -16.995 27.680 -10.801 1.00 6.90 N ATOM 1155 HD22 ASN A 120 -15.997 27.451 -10.982 1.00 0.00 H ATOM 1156 HD21 ASN A 120 -17.258 28.229 -9.957 1.00 0.00 H ATOM 1157 H ASN A 120 -16.865 24.266 -11.343 1.00 0.00 H ATOM 1158 N ARG A 121 -17.368 23.071 -13.955 1.00 3.58 N ATOM 1159 CA ARG A 121 -16.791 22.285 -15.060 1.00 3.46 C ATOM 1160 C ARG A 121 -17.553 20.993 -15.251 1.00 3.24 C ATOM 1161 O ARG A 121 -17.418 20.054 -14.464 1.00 3.49 O ATOM 1162 CB ARG A 121 -15.308 22.000 -14.795 1.00 4.10 C ATOM 1163 CG ARG A 121 -14.461 23.223 -14.733 1.00 4.12 C ATOM 1164 CD ARG A 121 -13.061 22.867 -14.292 1.00 4.32 C ATOM 1165 NE ARG A 121 -12.178 23.998 -14.260 1.00 4.35 N ATOM 1166 CZ ARG A 121 -10.849 23.898 -14.119 1.00 4.40 C ATOM 1167 NH1 ARG A 121 -10.271 22.716 -14.055 1.00 4.92 N ATOM 1168 NH2 ARG A 121 -10.126 24.980 -14.037 1.00 4.93 N ATOM 1169 HE ARG A 121 -12.592 24.948 -14.351 1.00 0.00 H ATOM 1170 HH12 ARG A 121 -9.239 22.647 -13.946 1.00 0.00 H ATOM 1171 HH11 ARG A 121 -10.847 21.852 -14.114 1.00 0.00 H ATOM 1172 HH22 ARG A 121 -9.094 24.909 -13.928 1.00 0.00 H ATOM 1173 HH21 ARG A 121 -10.581 25.914 -14.081 1.00 0.00 H ATOM 1174 H ARG A 121 -17.543 22.600 -13.044 1.00 0.00 H ATOM 1175 N GLY A 122 -18.307 20.892 -16.335 1.00 3.85 N ATOM 1176 CA GLY A 122 -19.020 19.677 -16.631 1.00 4.02 C ATOM 1177 C GLY A 122 -18.114 18.466 -16.797 1.00 3.19 C ATOM 1178 O GLY A 122 -18.485 17.354 -16.442 1.00 3.61 O ATOM 1179 H GLY A 122 -18.385 21.702 -16.982 1.00 0.00 H ATOM 1180 N PHE A 123 -16.891 18.695 -17.321 1.00 3.29 N ATOM 1181 CA PHE A 123 -15.978 17.574 -17.541 1.00 3.70 C ATOM 1182 C PHE A 123 -15.465 16.978 -16.248 1.00 3.33 C ATOM 1183 O PHE A 123 -14.895 15.886 -16.295 1.00 4.25 O ATOM 1184 CB PHE A 123 -14.839 17.954 -18.503 1.00 4.12 C ATOM 1185 CG PHE A 123 -13.834 18.936 -17.979 1.00 4.58 C ATOM 1186 CD1 PHE A 123 -12.875 18.542 -17.110 1.00 5.08 C ATOM 1187 CD2 PHE A 123 -13.745 20.219 -18.412 1.00 6.13 C ATOM 1188 CE1 PHE A 123 -11.890 19.414 -16.637 1.00 7.30 C ATOM 1189 CE2 PHE A 123 -12.765 21.087 -17.943 1.00 7.77 C ATOM 1190 CZ PHE A 123 -11.804 20.653 -17.085 1.00 8.46 C ATOM 1191 H PHE A 123 -16.600 19.663 -17.567 1.00 0.00 H ATOM 1192 N MET A 124 -15.653 17.702 -15.137 1.00 3.26 N ATOM 1193 CA MET A 124 -15.366 17.144 -13.829 1.00 3.41 C ATOM 1194 C MET A 124 -16.644 16.581 -13.179 1.00 3.41 C ATOM 1195 O MET A 124 -16.676 15.476 -12.629 1.00 4.31 O ATOM 1196 CB MET A 124 -14.694 18.189 -12.884 1.00 3.79 C ATOM 1197 CG MET A 124 -13.297 18.522 -13.304 1.00 4.20 C ATOM 1198 SD MET A 124 -12.562 19.599 -12.119 1.00 4.91 S ATOM 1199 CE MET A 124 -10.890 19.255 -12.339 1.00 4.64 C ATOM 1200 H MET A 124 -16.009 18.676 -15.213 1.00 0.00 H ATOM 1201 N LEU A 125 -17.757 17.366 -13.223 1.00 3.02 N ATOM 1202 CA LEU A 125 -18.959 16.981 -12.485 1.00 3.19 C ATOM 1203 C LEU A 125 -19.675 15.791 -13.085 1.00 2.91 C ATOM 1204 O LEU A 125 -20.217 14.978 -12.332 1.00 3.18 O ATOM 1205 CB LEU A 125 -19.907 18.166 -12.384 1.00 3.37 C ATOM 1206 CG LEU A 125 -19.393 19.383 -11.615 1.00 4.20 C ATOM 1207 CD1 LEU A 125 -20.478 20.424 -11.572 1.00 7.53 C ATOM 1208 CD2 LEU A 125 -18.927 18.991 -10.218 1.00 5.87 C ATOM 1209 H LEU A 125 -17.751 18.242 -13.783 1.00 0.00 H ATOM 1210 N TRP A 126 -19.800 15.690 -14.420 1.00 3.02 N ATOM 1211 CA TRP A 126 -20.554 14.577 -14.967 1.00 3.08 C ATOM 1212 C TRP A 126 -19.901 13.222 -14.688 1.00 3.03 C ATOM 1213 O TRP A 126 -20.585 12.289 -14.274 1.00 3.30 O ATOM 1214 CB TRP A 126 -20.841 14.746 -16.477 1.00 3.71 C ATOM 1215 CG TRP A 126 -21.836 15.800 -16.815 1.00 4.48 C ATOM 1216 CD1 TRP A 126 -21.573 16.924 -17.575 1.00 5.15 C ATOM 1217 CD2 TRP A 126 -23.226 15.811 -16.513 1.00 4.91 C ATOM 1218 NE1 TRP A 126 -22.722 17.635 -17.811 1.00 5.98 N ATOM 1219 CE2 TRP A 126 -23.757 16.984 -17.174 1.00 5.48 C ATOM 1220 CE3 TRP A 126 -24.060 14.924 -15.874 1.00 5.65 C ATOM 1221 CZ2 TRP A 126 -25.134 17.277 -17.151 1.00 6.76 C ATOM 1222 CZ3 TRP A 126 -25.434 15.251 -15.806 1.00 7.41 C ATOM 1223 CH2 TRP A 126 -25.929 16.428 -16.413 1.00 7.64 C ATOM 1224 HE1 TRP A 126 -22.799 18.509 -18.370 1.00 0.00 H ATOM 1225 H TRP A 126 -19.365 16.395 -15.048 1.00 0.00 H ATOM 1226 N PRO A 127 -18.576 13.062 -14.873 1.00 3.11 N ATOM 1227 CA PRO A 127 -17.974 11.769 -14.516 1.00 3.24 C ATOM 1228 C PRO A 127 -18.083 11.496 -13.033 1.00 3.07 C ATOM 1229 O PRO A 127 -18.261 10.344 -12.623 1.00 3.57 O ATOM 1230 CB PRO A 127 -16.532 11.897 -15.007 1.00 3.76 C ATOM 1231 CG PRO A 127 -16.571 12.975 -16.104 1.00 4.56 C ATOM 1232 CD PRO A 127 -17.597 13.941 -15.554 1.00 3.48 C ATOM 1233 N LEU A 128 -17.983 12.544 -12.204 1.00 2.80 N ATOM 1234 CA LEU A 128 -18.128 12.376 -10.768 1.00 3.07 C ATOM 1235 C LEU A 128 -19.548 11.895 -10.429 1.00 2.89 C ATOM 1236 O LEU A 128 -19.708 10.971 -9.592 1.00 3.37 O ATOM 1237 CB LEU A 128 -17.838 13.693 -10.061 1.00 3.13 C ATOM 1238 CG LEU A 128 -17.859 13.666 -8.543 1.00 3.66 C ATOM 1239 CD1 LEU A 128 -16.894 12.650 -7.990 1.00 4.34 C ATOM 1240 CD2 LEU A 128 -17.563 15.047 -8.027 1.00 4.65 C ATOM 1241 H LEU A 128 -17.799 13.491 -12.594 1.00 0.00 H ATOM 1242 N PHE A 129 -20.570 12.440 -11.070 1.00 2.88 N ATOM 1243 CA PHE A 129 -21.951 11.998 -10.809 1.00 3.06 C ATOM 1244 C PHE A 129 -22.177 10.547 -11.257 1.00 3.08 C ATOM 1245 O PHE A 129 -22.966 9.823 -10.645 1.00 3.41 O ATOM 1246 CB PHE A 129 -22.894 12.962 -11.520 1.00 3.58 C ATOM 1247 CG PHE A 129 -24.372 12.583 -11.347 1.00 3.72 C ATOM 1248 CD1 PHE A 129 -25.027 12.811 -10.149 1.00 4.65 C ATOM 1249 CD2 PHE A 129 -25.047 11.975 -12.357 1.00 4.32 C ATOM 1250 CE1 PHE A 129 -26.335 12.391 -9.974 1.00 5.35 C ATOM 1251 CE2 PHE A 129 -26.375 11.576 -12.213 1.00 5.62 C ATOM 1252 CZ PHE A 129 -26.992 11.777 -11.011 1.00 5.21 C ATOM 1253 H PHE A 129 -20.396 13.191 -11.768 1.00 0.00 H ATOM 1254 N GLU A 130 -21.480 10.117 -12.306 1.00 3.12 N ATOM 1255 CA GLU A 130 -21.588 8.749 -12.764 1.00 3.67 C ATOM 1256 C GLU A 130 -21.127 7.782 -11.662 1.00 3.52 C ATOM 1257 O GLU A 130 -21.715 6.710 -11.485 1.00 5.42 O ATOM 1258 CB GLU A 130 -20.777 8.543 -14.011 1.00 3.67 C ATOM 1259 CG GLU A 130 -20.932 7.165 -14.607 1.00 4.53 C ATOM 1260 CD GLU A 130 -20.101 6.932 -15.835 1.00 4.27 C ATOM 1261 OE1 GLU A 130 -19.225 7.751 -16.167 1.00 4.23 O ATOM 1262 OE2 GLU A 130 -20.360 5.902 -16.535 1.00 6.12 O ATOM 1263 H GLU A 130 -20.847 10.775 -12.805 1.00 0.00 H ATOM 1264 N ILE A 131 -20.060 8.130 -10.967 1.00 3.41 N ATOM 1265 CA ILE A 131 -19.470 7.215 -9.960 1.00 4.04 C ATOM 1266 C ILE A 131 -19.987 7.488 -8.540 1.00 3.48 C ATOM 1267 O ILE A 131 -19.874 6.583 -7.709 1.00 4.56 O ATOM 1268 CB ILE A 131 -17.941 7.208 -10.012 1.00 4.70 C ATOM 1269 CG1 ILE A 131 -17.335 8.546 -9.598 1.00 4.53 C ATOM 1270 CG2 ILE A 131 -17.492 6.734 -11.369 1.00 5.42 C ATOM 1271 CD1 ILE A 131 -15.806 8.483 -9.481 1.00 5.73 C ATOM 1272 H ILE A 131 -19.626 9.061 -11.128 1.00 0.00 H ATOM 1273 N ALA A 132 -20.541 8.658 -8.285 1.00 3.40 N ATOM 1274 CA ALA A 132 -20.926 9.056 -6.925 1.00 3.97 C ATOM 1275 C ALA A 132 -22.164 9.947 -7.016 1.00 3.37 C ATOM 1276 O ALA A 132 -22.111 11.120 -6.642 1.00 4.01 O ATOM 1277 CB ALA A 132 -19.800 9.733 -6.201 1.00 5.39 C ATOM 1278 H ALA A 132 -20.710 9.318 -9.071 1.00 0.00 H ATOM 1279 N PRO A 133 -23.303 9.397 -7.443 1.00 3.88 N ATOM 1280 CA PRO A 133 -24.479 10.253 -7.617 1.00 4.25 C ATOM 1281 C PRO A 133 -24.989 10.870 -6.338 1.00 3.97 C ATOM 1282 O PRO A 133 -25.683 11.890 -6.423 1.00 4.83 O ATOM 1283 CB PRO A 133 -25.516 9.308 -8.278 1.00 5.19 C ATOM 1284 CG PRO A 133 -25.040 7.938 -7.889 1.00 5.30 C ATOM 1285 CD PRO A 133 -23.546 8.019 -7.911 1.00 4.52 C ATOM 1286 N GLU A 134 -24.698 10.272 -5.212 1.00 4.11 N ATOM 1287 CA GLU A 134 -25.158 10.757 -3.929 1.00 4.61 C ATOM 1288 C GLU A 134 -24.236 11.769 -3.300 1.00 4.31 C ATOM 1289 O GLU A 134 -24.471 12.197 -2.153 1.00 5.30 O ATOM 1290 CB GLU A 134 -25.386 9.619 -2.905 1.00 5.63 C ATOM 1291 CG GLU A 134 -26.283 8.524 -3.450 1.00 7.47 C ATOM 1292 CD GLU A 134 -27.575 9.014 -3.951 1.00 12.00 C ATOM 1293 OE1 GLU A 134 -28.246 9.677 -3.138 1.00 16.43 O ATOM 1294 OE2 GLU A 134 -27.917 8.733 -5.073 1.00 17.61 O ATOM 1295 H GLU A 134 -24.112 9.413 -5.240 1.00 0.00 H ATOM 1296 N LEU A 135 -23.186 12.228 -3.979 1.00 3.80 N ATOM 1297 CA LEU A 135 -22.178 13.036 -3.362 1.00 4.14 C ATOM 1298 C LEU A 135 -22.707 14.370 -2.844 1.00 3.50 C ATOM 1299 O LEU A 135 -23.501 15.071 -3.513 1.00 3.64 O ATOM 1300 CB LEU A 135 -21.060 13.290 -4.387 1.00 4.93 C ATOM 1301 CG LEU A 135 -19.815 13.979 -3.886 1.00 6.47 C ATOM 1302 CD1 LEU A 135 -18.576 13.340 -4.524 1.00 8.86 C ATOM 1303 CD2 LEU A 135 -19.874 15.475 -4.098 1.00 6.95 C ATOM 1304 H LEU A 135 -23.096 11.992 -4.988 1.00 0.00 H ATOM 1305 N VAL A 136 -22.200 14.739 -1.672 1.00 3.99 N ATOM 1306 CA VAL A 136 -22.446 16.034 -1.041 1.00 4.04 C ATOM 1307 C VAL A 136 -21.085 16.689 -0.826 1.00 3.92 C ATOM 1308 O VAL A 136 -20.150 16.047 -0.329 1.00 5.11 O ATOM 1309 CB VAL A 136 -23.219 15.875 0.274 1.00 4.98 C ATOM 1310 CG1 VAL A 136 -23.422 17.200 0.954 1.00 6.30 C ATOM 1311 CG2 VAL A 136 -24.554 15.211 -0.027 1.00 5.52 C ATOM 1312 H VAL A 136 -21.589 14.062 -1.172 1.00 0.00 H ATOM 1313 N PHE A 137 -20.976 17.963 -1.186 1.00 3.83 N ATOM 1314 CA PHE A 137 -19.757 18.724 -1.021 1.00 4.04 C ATOM 1315 C PHE A 137 -19.566 19.125 0.454 1.00 3.83 C ATOM 1316 O PHE A 137 -20.512 19.107 1.252 1.00 4.35 O ATOM 1317 CB PHE A 137 -19.822 19.981 -1.897 1.00 4.12 C ATOM 1318 CG PHE A 137 -19.595 19.665 -3.361 1.00 4.01 C ATOM 1319 CD1 PHE A 137 -20.652 19.288 -4.195 1.00 4.53 C ATOM 1320 CD2 PHE A 137 -18.341 19.771 -3.891 1.00 4.60 C ATOM 1321 CE1 PHE A 137 -20.415 18.985 -5.522 1.00 4.88 C ATOM 1322 CE2 PHE A 137 -18.108 19.503 -5.219 1.00 5.30 C ATOM 1323 CZ PHE A 137 -19.149 19.073 -6.043 1.00 5.32 C ATOM 1324 H PHE A 137 -21.803 18.434 -1.605 1.00 0.00 H ATOM 1325 N PRO A 138 -18.364 19.589 0.803 1.00 4.10 N ATOM 1326 CA PRO A 138 -18.135 19.985 2.222 1.00 4.56 C ATOM 1327 C PRO A 138 -19.064 21.084 2.696 1.00 4.29 C ATOM 1328 O PRO A 138 -19.377 21.161 3.878 1.00 5.07 O ATOM 1329 CB PRO A 138 -16.670 20.439 2.203 1.00 5.70 C ATOM 1330 CG PRO A 138 -16.047 19.570 1.133 1.00 5.57 C ATOM 1331 CD PRO A 138 -17.090 19.529 0.050 1.00 4.92 C ATOM 1332 N ASP A 139 -19.501 21.974 1.791 1.00 4.45 N ATOM 1333 CA ASP A 139 -20.415 23.055 2.156 1.00 4.74 C ATOM 1334 C ASP A 139 -21.864 22.635 2.128 1.00 4.45 C ATOM 1335 O ASP A 139 -22.727 23.508 2.255 1.00 5.40 O ATOM 1336 CB ASP A 139 -20.186 24.249 1.252 1.00 5.71 C ATOM 1337 CG ASP A 139 -20.739 24.088 -0.156 1.00 6.12 C ATOM 1338 OD1 ASP A 139 -21.053 22.962 -0.576 1.00 5.77 O ATOM 1339 OD2 ASP A 139 -20.854 25.147 -0.859 1.00 9.05 O ATOM 1340 H ASP A 139 -19.181 21.892 0.805 1.00 0.00 H ATOM 1341 N GLY A 140 -22.151 21.339 2.022 1.00 4.26 N ATOM 1342 CA GLY A 140 -23.520 20.844 2.020 1.00 4.30 C ATOM 1343 C GLY A 140 -24.201 20.873 0.675 1.00 4.18 C ATOM 1344 O GLY A 140 -25.305 20.302 0.560 1.00 5.00 O ATOM 1345 H GLY A 140 -21.370 20.657 1.938 1.00 0.00 H ATOM 1346 N GLU A 141 -23.593 21.494 -0.349 1.00 4.05 N ATOM 1347 CA GLU A 141 -24.256 21.480 -1.654 1.00 4.18 C ATOM 1348 C GLU A 141 -24.251 20.084 -2.216 1.00 3.62 C ATOM 1349 O GLU A 141 -23.257 19.343 -2.116 1.00 4.82 O ATOM 1350 CB GLU A 141 -23.570 22.459 -2.609 1.00 5.09 C ATOM 1351 CG GLU A 141 -24.410 22.852 -3.770 1.00 7.23 C ATOM 1352 CD GLU A 141 -23.832 23.991 -4.622 1.00 8.38 C ATOM 1353 OE1 GLU A 141 -22.627 24.351 -4.478 1.00 9.59 O ATOM 1354 OE2 GLU A 141 -24.651 24.612 -5.366 1.00 10.83 O ATOM 1355 H GLU A 141 -22.678 21.971 -0.219 1.00 0.00 H ATOM 1356 N MET A 142 -25.350 19.683 -2.829 1.00 4.01 N ATOM 1357 CA MET A 142 -25.484 18.325 -3.382 1.00 4.03 C ATOM 1358 C MET A 142 -25.089 18.315 -4.852 1.00 3.45 C ATOM 1359 O MET A 142 -25.549 19.174 -5.622 1.00 3.68 O ATOM 1360 CB MET A 142 -26.912 17.839 -3.214 1.00 4.66 C ATOM 1361 CG MET A 142 -27.309 17.704 -1.783 1.00 6.25 C ATOM 1362 SD MET A 142 -29.090 17.569 -1.615 1.00 8.00 S ATOM 1363 CE MET A 142 -29.214 17.094 0.068 1.00 10.24 C ATOM 1364 H MET A 142 -26.145 20.347 -2.924 1.00 0.00 H ATOM 1365 N LEU A 143 -24.280 17.334 -5.241 1.00 3.31 N ATOM 1366 CA LEU A 143 -23.927 17.203 -6.672 1.00 3.15 C ATOM 1367 C LEU A 143 -25.171 17.116 -7.546 1.00 2.95 C ATOM 1368 O LEU A 143 -25.216 17.736 -8.622 1.00 3.66 O ATOM 1369 CB LEU A 143 -23.007 15.999 -6.833 1.00 3.44 C ATOM 1370 CG LEU A 143 -22.520 15.707 -8.255 1.00 3.66 C ATOM 1371 CD1 LEU A 143 -21.802 16.893 -8.867 1.00 4.34 C ATOM 1372 CD2 LEU A 143 -21.640 14.485 -8.203 1.00 4.43 C ATOM 1373 H LEU A 143 -23.898 16.663 -4.544 1.00 0.00 H ATOM 1374 N ARG A 144 -26.181 16.351 -7.124 1.00 3.31 N ATOM 1375 CA ARG A 144 -27.372 16.213 -7.943 1.00 3.60 C ATOM 1376 C ARG A 144 -28.032 17.572 -8.146 1.00 3.88 C ATOM 1377 O ARG A 144 -28.645 17.828 -9.198 1.00 4.29 O ATOM 1378 CB ARG A 144 -28.356 15.232 -7.320 1.00 4.60 C ATOM 1379 CG ARG A 144 -28.998 15.706 -5.998 1.00 5.17 C ATOM 1380 CD ARG A 144 -29.909 14.695 -5.346 1.00 5.95 C ATOM 1381 NE ARG A 144 -29.255 13.531 -4.796 1.00 6.14 N ATOM 1382 CZ ARG A 144 -28.724 13.447 -3.563 1.00 6.71 C ATOM 1383 NH1 ARG A 144 -28.675 14.480 -2.751 1.00 8.91 N ATOM 1384 NH2 ARG A 144 -28.245 12.294 -3.167 1.00 8.26 N ATOM 1385 HE ARG A 144 -29.189 12.689 -5.403 1.00 0.00 H ATOM 1386 HH12 ARG A 144 -28.257 14.378 -1.804 1.00 0.00 H ATOM 1387 HH11 ARG A 144 -29.054 15.399 -3.055 1.00 0.00 H ATOM 1388 HH22 ARG A 144 -27.829 12.202 -2.218 1.00 0.00 H ATOM 1389 HH21 ARG A 144 -28.281 11.471 -3.801 1.00 0.00 H ATOM 1390 H ARG A 144 -26.115 15.856 -6.212 1.00 0.00 H ATOM 1391 N GLN A 145 -28.026 18.421 -7.131 1.00 3.96 N ATOM 1392 CA GLN A 145 -28.701 19.719 -7.219 1.00 4.55 C ATOM 1393 C GLN A 145 -27.971 20.645 -8.142 1.00 4.17 C ATOM 1394 O GLN A 145 -28.585 21.341 -8.955 1.00 5.25 O ATOM 1395 CB GLN A 145 -28.892 20.284 -5.806 1.00 5.20 C ATOM 1396 CG GLN A 145 -29.763 21.496 -5.751 1.00 5.88 C ATOM 1397 CD GLN A 145 -31.215 21.237 -6.157 1.00 6.30 C ATOM 1398 OE1 GLN A 145 -31.893 20.373 -5.621 1.00 6.94 O ATOM 1399 NE2 GLN A 145 -31.633 21.842 -7.186 1.00 12.01 N ATOM 1400 HE22 GLN A 145 -31.046 22.575 -7.632 1.00 0.00 H ATOM 1401 HE21 GLN A 145 -32.564 21.606 -7.586 1.00 0.00 H ATOM 1402 H GLN A 145 -27.532 18.162 -6.253 1.00 0.00 H ATOM 1403 N ILE A 146 -26.630 20.652 -8.078 1.00 4.18 N ATOM 1404 CA ILE A 146 -25.830 21.437 -9.020 1.00 4.38 C ATOM 1405 C ILE A 146 -26.136 21.032 -10.453 1.00 3.91 C ATOM 1406 O ILE A 146 -26.364 21.861 -11.335 1.00 4.52 O ATOM 1407 CB ILE A 146 -24.312 21.335 -8.727 1.00 5.02 C ATOM 1408 CG1 ILE A 146 -23.994 21.916 -7.382 1.00 6.07 C ATOM 1409 CG2 ILE A 146 -23.506 21.996 -9.827 1.00 6.24 C ATOM 1410 CD1 ILE A 146 -22.623 21.562 -6.862 1.00 8.54 C ATOM 1411 H ILE A 146 -26.151 20.090 -7.346 1.00 0.00 H ATOM 1412 N LEU A 147 -26.099 19.728 -10.719 1.00 3.59 N ATOM 1413 CA LEU A 147 -26.297 19.247 -12.081 1.00 3.59 C ATOM 1414 C LEU A 147 -27.743 19.422 -12.547 1.00 3.58 C ATOM 1415 O LEU A 147 -27.988 19.508 -13.748 1.00 4.45 O ATOM 1416 CB LEU A 147 -25.838 17.801 -12.226 1.00 3.33 C ATOM 1417 CG LEU A 147 -24.321 17.632 -12.219 1.00 3.97 C ATOM 1418 CD1 LEU A 147 -23.944 16.195 -12.077 1.00 4.52 C ATOM 1419 CD2 LEU A 147 -23.696 18.231 -13.488 1.00 4.92 C ATOM 1420 H LEU A 147 -25.928 19.048 -9.951 1.00 0.00 H ATOM 1421 N HIS A 148 -28.696 19.492 -11.633 1.00 3.60 N ATOM 1422 CA HIS A 148 -30.076 19.777 -12.028 1.00 4.16 C ATOM 1423 C HIS A 148 -30.254 21.261 -12.407 1.00 4.14 C ATOM 1424 O HIS A 148 -31.027 21.574 -13.299 1.00 4.73 O ATOM 1425 CB HIS A 148 -31.029 19.384 -10.865 1.00 4.36 C ATOM 1426 CG HIS A 148 -32.427 19.113 -11.287 1.00 4.39 C ATOM 1427 ND1 HIS A 148 -33.379 20.086 -11.476 1.00 6.40 N ATOM 1428 CD2 HIS A 148 -32.990 17.933 -11.542 1.00 5.36 C ATOM 1429 CE1 HIS A 148 -34.493 19.471 -11.850 1.00 6.27 C ATOM 1430 NE2 HIS A 148 -34.286 18.180 -11.870 1.00 6.39 N ATOM 1431 H HIS A 148 -28.464 19.344 -10.630 1.00 0.00 H ATOM 1432 N THR A 149 -29.538 22.138 -11.720 1.00 5.06 N ATOM 1433 CA THR A 149 -29.807 23.544 -11.755 1.00 5.07 C ATOM 1434 C THR A 149 -28.918 24.314 -12.733 1.00 5.22 C ATOM 1435 O THR A 149 -29.386 25.231 -13.403 1.00 6.77 O ATOM 1436 CB THR A 149 -29.609 24.139 -10.315 1.00 6.26 C ATOM 1437 OG1 THR A 149 -30.503 23.449 -9.467 1.00 8.15 O ATOM 1438 CG2 THR A 149 -29.869 25.619 -10.290 1.00 8.12 C ATOM 1439 HG1 THR A 149 -31.431 23.589 -9.783 1.00 0.00 H ATOM 1440 H THR A 149 -28.751 21.793 -11.134 1.00 0.00 H ATOM 1441 N ARG A 150 -27.621 24.016 -12.731 1.00 5.59 N ATOM 1442 CA ARG A 150 -26.652 24.770 -13.562 1.00 6.10 C ATOM 1443 C ARG A 150 -26.639 24.307 -14.960 1.00 5.92 C ATOM 1444 O ARG A 150 -26.808 23.089 -15.239 1.00 7.69 O ATOM 1445 CB ARG A 150 -25.218 24.512 -13.060 1.00 7.57 C ATOM 1446 CG ARG A 150 -24.835 25.109 -11.779 1.00 8.27 C ATOM 1447 CD ARG A 150 -24.602 26.588 -11.902 1.00 9.20 C ATOM 1448 NE ARG A 150 -23.819 27.073 -13.064 1.00 9.62 N ATOM 1449 CZ ARG A 150 -22.486 27.192 -13.124 1.00 10.21 C ATOM 1450 NH1 ARG A 150 -21.751 26.903 -12.094 1.00 12.93 N ATOM 1451 NH2 ARG A 150 -21.859 27.674 -14.237 1.00 14.58 N ATOM 1452 HE ARG A 150 -24.355 27.347 -13.912 1.00 0.00 H ATOM 1453 HH12 ARG A 150 -20.717 26.998 -12.150 1.00 0.00 H ATOM 1454 HH11 ARG A 150 -22.196 26.576 -11.213 1.00 0.00 H ATOM 1455 HH22 ARG A 150 -20.822 27.756 -14.256 1.00 0.00 H ATOM 1456 HH21 ARG A 150 -22.418 27.960 -15.066 1.00 0.00 H ATOM 1457 H ARG A 150 -27.279 23.237 -12.133 1.00 0.00 H ATOM 1458 N ALA A 151 -26.441 25.197 -15.910 1.00 6.65 N ATOM 1459 CA ALA A 151 -26.382 24.868 -17.301 1.00 7.18 C ATOM 1460 C ALA A 151 -24.979 24.275 -17.584 1.00 7.14 C ATOM 1461 O ALA A 151 -23.934 24.928 -17.345 1.00 9.15 O ATOM 1462 CB ALA A 151 -26.665 26.130 -18.154 1.00 8.99 C ATOM 1463 H ALA A 151 -26.321 26.193 -15.634 1.00 0.00 H ATOM 1464 N PHE A 152 -24.979 23.063 -18.060 1.00 6.06 N ATOM 1465 CA PHE A 152 -23.791 22.394 -18.541 1.00 6.19 C ATOM 1466 C PHE A 152 -24.178 21.614 -19.797 1.00 6.31 C ATOM 1467 O PHE A 152 -25.211 20.958 -19.850 1.00 8.19 O ATOM 1468 CB PHE A 152 -23.194 21.412 -17.528 1.00 6.57 C ATOM 1469 CG PHE A 152 -22.578 22.047 -16.315 1.00 6.13 C ATOM 1470 CD1 PHE A 152 -21.457 22.786 -16.452 1.00 8.15 C ATOM 1471 CD2 PHE A 152 -23.088 21.850 -15.086 1.00 6.88 C ATOM 1472 CE1 PHE A 152 -20.868 23.328 -15.380 1.00 9.23 C ATOM 1473 CE2 PHE A 152 -22.499 22.446 -13.945 1.00 7.72 C ATOM 1474 CZ PHE A 152 -21.405 23.236 -14.133 1.00 8.00 C ATOM 1475 H PHE A 152 -25.882 22.549 -18.096 1.00 0.00 H ATOM 1476 N ASP A 153 -23.270 21.601 -20.756 1.00 6.47 N ATOM 1477 CA ASP A 153 -23.515 20.699 -21.933 1.00 6.75 C ATOM 1478 C ASP A 153 -23.410 19.243 -21.475 1.00 6.59 C ATOM 1479 O ASP A 153 -22.594 18.869 -20.562 1.00 7.59 O ATOM 1480 CB ASP A 153 -22.384 20.926 -22.931 1.00 7.93 C ATOM 1481 CG ASP A 153 -22.480 22.303 -23.595 1.00 9.26 C ATOM 1482 OD1 ASP A 153 -23.546 22.959 -23.598 1.00 12.61 O ATOM 1483 OD2 ASP A 153 -21.482 22.672 -24.231 1.00 14.26 O ATOM 1484 H ASP A 153 -22.417 22.193 -20.699 1.00 0.00 H ATOM 1485 N LYS A 154 -24.161 18.397 -22.190 1.00 7.25 N ATOM 1486 CA LYS A 154 -24.001 16.979 -22.125 1.00 7.74 C ATOM 1487 C LYS A 154 -22.552 16.577 -22.405 1.00 6.01 C ATOM 1488 O LYS A 154 -21.930 17.137 -23.303 1.00 7.10 O ATOM 1489 CB LYS A 154 -24.898 16.303 -23.256 1.00 10.54 C ATOM 1490 CG LYS A 154 -24.766 14.818 -23.336 1.00 10.84 C ATOM 1491 CD LYS A 154 -25.613 14.237 -24.429 1.00 11.96 C ATOM 1492 CE LYS A 154 -25.432 12.752 -24.445 1.00 14.14 C ATOM 1493 NZ LYS A 154 -26.339 12.091 -25.380 1.00 14.92 N ATOM 1494 HZ1 LYS A 154 -27.322 12.293 -25.108 1.00 0.00 H ATOM 1495 HZ2 LYS A 154 -26.164 12.447 -26.341 1.00 0.00 H ATOM 1496 HZ3 LYS A 154 -26.174 11.064 -25.354 1.00 0.00 H ATOM 1497 H LYS A 154 -24.891 18.788 -22.819 1.00 0.00 H ATOM 1498 N LEU A 155 -22.064 15.609 -21.659 1.00 6.11 N ATOM 1499 CA LEU A 155 -20.755 15.061 -21.890 1.00 6.66 C ATOM 1500 C LEU A 155 -20.908 13.764 -22.675 1.00 6.75 C ATOM 1501 O LEU A 155 -21.633 12.875 -22.256 1.00 9.98 O ATOM 1502 CB LEU A 155 -20.053 14.838 -20.519 1.00 8.09 C ATOM 1503 CG LEU A 155 -18.626 15.236 -20.441 1.00 7.52 C ATOM 1504 CD1 LEU A 155 -18.453 16.696 -20.634 1.00 8.41 C ATOM 1505 CD2 LEU A 155 -17.995 14.731 -19.206 1.00 5.98 C ATOM 1506 H LEU A 155 -22.641 15.230 -20.881 1.00 0.00 H ATOM 1507 N ASN A 156 -20.173 13.652 -23.776 1.00 6.02 N ATOM 1508 CA ASN A 156 -20.201 12.504 -24.658 1.00 6.57 C ATOM 1509 C ASN A 156 -19.126 11.501 -24.298 1.00 5.70 C ATOM 1510 O ASN A 156 -17.964 11.875 -24.078 1.00 5.94 O ATOM 1511 CB ASN A 156 -20.030 12.904 -26.098 1.00 8.21 C ATOM 1512 CG ASN A 156 -21.083 13.801 -26.575 1.00 9.99 C ATOM 1513 OD1 ASN A 156 -20.785 15.008 -26.902 1.00 14.19 O ATOM 1514 ND2 ASN A 156 -22.284 13.318 -26.680 1.00 11.40 N ATOM 1515 HD22 ASN A 156 -22.475 12.334 -26.402 1.00 0.00 H ATOM 1516 HD21 ASN A 156 -23.055 13.915 -27.042 1.00 0.00 H ATOM 1517 H ASN A 156 -19.538 14.438 -24.020 1.00 0.00 H ATOM 1518 N LYS A 157 -19.476 10.229 -24.270 1.00 6.34 N ATOM 1519 CA LYS A 157 -18.530 9.184 -24.010 1.00 6.13 C ATOM 1520 C LYS A 157 -17.509 9.091 -25.161 1.00 5.77 C ATOM 1521 O LYS A 157 -17.833 9.382 -26.299 1.00 7.97 O ATOM 1522 CB LYS A 157 -19.246 7.860 -23.691 1.00 8.57 C ATOM 1523 CG LYS A 157 -19.917 7.890 -22.265 1.00 10.86 C ATOM 1524 CD LYS A 157 -20.603 6.621 -21.959 1.00 14.29 C ATOM 1525 CE LYS A 157 -21.396 6.729 -20.687 1.00 18.18 C ATOM 1526 NZ LYS A 157 -22.426 7.800 -20.636 1.00 25.73 N ATOM 1527 HZ1 LYS A 157 -21.969 8.725 -20.766 1.00 0.00 H ATOM 1528 HZ2 LYS A 157 -23.122 7.646 -21.393 1.00 0.00 H ATOM 1529 HZ3 LYS A 157 -22.905 7.775 -19.713 1.00 0.00 H ATOM 1530 H LYS A 157 -20.470 9.977 -24.442 1.00 0.00 H ATOM 1531 N TRP A 158 -16.298 8.668 -24.815 1.00 5.72 N ATOM 1532 CA TRP A 158 -15.231 8.455 -25.770 1.00 7.04 C ATOM 1533 C TRP A 158 -15.636 7.382 -26.787 1.00 8.93 C ATOM 1534 O TRP A 158 -15.370 7.576 -27.997 1.00 11.79 O ATOM 1535 CB TRP A 158 -13.955 8.070 -24.954 1.00 8.47 C ATOM 1536 CG TRP A 158 -12.689 7.980 -25.730 1.00 9.15 C ATOM 1537 CD1 TRP A 158 -12.145 6.883 -26.267 1.00 11.93 C ATOM 1538 CD2 TRP A 158 -11.754 9.047 -25.965 1.00 8.37 C ATOM 1539 NE1 TRP A 158 -10.958 7.193 -26.898 1.00 12.61 N ATOM 1540 CE2 TRP A 158 -10.697 8.526 -26.703 1.00 10.09 C ATOM 1541 CE3 TRP A 158 -11.723 10.381 -25.622 1.00 8.01 C ATOM 1542 CZ2 TRP A 158 -9.611 9.328 -27.153 1.00 10.40 C ATOM 1543 CZ3 TRP A 158 -10.667 11.180 -26.060 1.00 9.30 C ATOM 1544 CH2 TRP A 158 -9.648 10.654 -26.818 1.00 10.06 C ATOM 1545 OXT TRP A 158 -16.159 6.344 -26.378 1.00 12.20 O ATOM 1546 HE1 TRP A 158 -10.362 6.529 -27.431 1.00 0.00 H ATOM 1547 H TRP A 158 -16.107 8.481 -23.810 1.00 0.00 H TER 1548 TRP A 158 HETATM 1549 CA CA A 1 -3.128 0.448 -3.821 1.00 4.26 CA HETATM 1550 CA CA A 2 -2.361 28.126 -27.664 1.00 6.03 CA HETATM 1551 CA CA A 3 -6.861 20.323 -14.252 1.00 4.37 CA HETATM 1552 CA CA A 4 -3.596 19.627 -12.386 1.00 3.81 CA HETATM 1553 NA NA A 5 -20.317 27.315 -1.332 1.00 20.38 NA HETATM 1554 NA NA A 6 -13.951 6.868 6.509 1.00 29.53 NA HETATM 1555 NA NA A 7 -1.757 6.415 6.855 1.00 8.13 NA HETATM 1556 O HOH 8 -29.996 9.495 -4.901 1.00 10.54 O HETATM 1557 O HOH 9 2.870 14.821 3.028 1.00 23.29 O HETATM 1558 O HOH 10 1.262 26.592 -27.348 1.00 12.08 O HETATM 1559 O HOH 11 -22.614 24.600 -25.167 1.00 6.13 O HETATM 1560 O HOH 12 -30.355 8.850 -2.070 1.00 16.94 O HETATM 1561 O HOH 13 5.731 14.321 1.745 1.00 23.47 O HETATM 1562 O HOH 14 3.694 18.618 1.221 1.00 30.00 O HETATM 1563 O HOH 15 -22.518 10.497 -17.855 1.00 19.02 O HETATM 1564 O HOH 16 -24.167 5.930 -11.803 1.00 17.75 O HETATM 1565 O HOH 17 -10.548 0.352 0.479 1.00 14.42 O HETATM 1566 O HOH 18 1.585 -3.538 -9.695 1.00 16.14 O HETATM 1567 O HOH 19 -2.541 28.195 -32.315 1.00 11.98 O HETATM 1568 O HOH 20 0.348 6.896 5.746 1.00 14.98 O HETATM 1569 O HOH 21 -4.764 25.902 -11.076 1.00 13.93 O HETATM 1570 O HOH 22 -11.211 12.465 5.812 1.00 11.78 O HETATM 1571 O HOH 23 -5.889 22.232 -9.701 1.00 16.66 O HETATM 1572 O HOH 24 -18.950 22.304 -23.552 1.00 22.34 O HETATM 1573 O HOH 25 -17.887 6.569 -3.688 1.00 14.58 O HETATM 1574 O HOH 26 -8.272 9.115 5.976 1.00 14.18 O HETATM 1575 O HOH 27 -14.764 30.081 -11.560 1.00 8.61 O HETATM 1576 O HOH 28 -22.571 26.406 -2.474 1.00 21.44 O HETATM 1577 O HOH 29 -21.864 26.761 -5.377 1.00 14.70 O HETATM 1578 O HOH 30 -2.192 0.320 -26.468 1.00 11.90 O HETATM 1579 O HOH 31 3.143 8.211 2.649 1.00 17.20 O HETATM 1580 O HOH 32 1.182 27.874 -2.923 1.00 17.89 O HETATM 1581 O HOH 33 -26.716 18.907 2.384 1.00 8.94 O HETATM 1582 O HOH 34 -13.252 8.945 6.818 1.00 30.00 O HETATM 1583 O HOH 35 -17.529 5.962 -6.332 1.00 8.12 O HETATM 1584 O HOH 36 -18.527 19.183 5.509 1.00 13.20 O HETATM 1585 O HOH 37 -26.141 20.489 -15.544 1.00 6.58 O HETATM 1586 O HOH 38 -6.262 27.399 -0.974 1.00 12.76 O HETATM 1587 O HOH 39 -18.334 15.717 -24.379 1.00 12.92 O HETATM 1588 O HOH 40 -0.009 25.595 -13.019 1.00 10.41 O HETATM 1589 O HOH 41 -11.470 25.167 -2.464 1.00 9.66 O HETATM 1590 O HOH 42 -10.885 23.026 -30.279 1.00 6.15 O HETATM 1591 O HOH 43 -13.966 24.321 -26.908 1.00 5.60 O HETATM 1592 O HOH 44 -13.765 20.442 -30.095 1.00 6.32 O HETATM 1593 O HOH 45 -1.443 23.896 -16.620 1.00 10.48 O HETATM 1594 O HOH 46 -10.174 20.392 -29.994 1.00 4.32 O HETATM 1595 O HOH 47 -17.699 16.274 0.836 1.00 12.29 O HETATM 1596 O HOH 48 -5.736 7.656 7.715 1.00 13.45 O HETATM 1597 O HOH 49 3.702 10.161 -0.683 1.00 8.51 O HETATM 1598 O HOH 50 -13.081 17.348 0.009 1.00 5.16 O HETATM 1599 O HOH 51 -13.392 27.831 -5.234 1.00 23.67 O HETATM 1600 O HOH 52 -31.807 26.486 -13.221 1.00 12.69 O HETATM 1601 O HOH 53 9.310 23.871 -21.470 1.00 14.22 O HETATM 1602 O HOH 54 -4.732 1.389 4.647 1.00 18.48 O HETATM 1603 O HOH 55 -28.381 11.489 -6.613 1.00 9.12 O HETATM 1604 O HOH 56 -22.411 18.256 -25.759 1.00 21.62 O HETATM 1605 O HOH 57 1.094 8.240 -28.734 1.00 18.73 O HETATM 1606 O HOH 58 7.747 14.109 -22.074 1.00 12.50 O HETATM 1607 O HOH 59 -15.838 20.000 6.129 1.00 11.36 O HETATM 1608 O HOH 60 -9.665 1.060 -21.401 1.00 6.66 O HETATM 1609 O HOH 61 1.266 2.829 -15.386 1.00 6.75 O HETATM 1610 O HOH 62 -7.785 1.347 0.777 1.00 14.16 O HETATM 1611 O HOH 63 -6.596 21.245 -16.376 1.00 7.85 O HETATM 1612 O HOH 64 1.570 20.429 -20.261 1.00 16.87 O HETATM 1613 O HOH 65 -17.765 9.614 -0.554 1.00 27.58 O HETATM 1614 O HOH 66 -8.103 13.978 -28.579 1.00 16.37 O HETATM 1615 O HOH 67 -4.155 13.890 -28.702 1.00 12.17 O HETATM 1616 O HOH 68 -4.702 1.911 -5.114 1.00 4.65 O HETATM 1617 O HOH 69 1.955 21.216 -23.855 1.00 10.35 O HETATM 1618 O HOH 70 1.871 4.231 -8.531 1.00 8.32 O HETATM 1619 O HOH 71 -2.838 25.247 -2.914 1.00 11.32 O HETATM 1620 O HOH 72 2.341 5.383 -15.056 1.00 6.90 O HETATM 1621 O HOH 73 0.756 6.613 -25.037 1.00 9.96 O HETATM 1622 O HOH 74 -17.287 11.161 -28.338 1.00 7.75 O HETATM 1623 O HOH 75 -21.869 25.707 -9.605 1.00 30.00 O HETATM 1624 O HOH 76 -27.917 9.837 -0.398 1.00 23.73 O HETATM 1625 O HOH 77 -20.443 3.431 -15.295 1.00 12.50 O HETATM 1626 O HOH 78 -1.913 28.071 -0.307 1.00 15.50 O HETATM 1627 O HOH 79 -32.914 22.665 -10.583 1.00 8.52 O HETATM 1628 O HOH 80 -1.920 2.093 -21.683 1.00 7.89 O HETATM 1629 O HOH 81 7.815 14.107 -17.700 1.00 6.13 O HETATM 1630 O HOH 82 -22.934 5.613 -17.526 1.00 28.73 O HETATM 1631 O HOH 83 2.321 7.073 -20.670 1.00 10.96 O HETATM 1632 O HOH 84 -1.316 15.664 -9.368 1.00 4.20 O HETATM 1633 O HOH 85 -16.938 5.023 -24.059 1.00 15.12 O HETATM 1634 O HOH 86 -17.737 1.301 -6.406 1.00 9.09 O HETATM 1635 O HOH 87 8.875 20.052 -18.021 1.00 8.95 O HETATM 1636 O HOH 88 -10.546 12.911 -29.566 1.00 13.43 O HETATM 1637 O HOH 89 -19.462 18.139 -24.121 1.00 12.62 O HETATM 1638 O HOH 90 -5.929 10.641 5.651 1.00 10.06 O HETATM 1639 O HOH 91 4.566 15.857 -22.832 1.00 10.44 O HETATM 1640 O HOH 92 3.725 10.043 -22.367 1.00 10.51 O HETATM 1641 O HOH 93 -15.176 23.687 -5.626 1.00 16.89 O HETATM 1642 O HOH 94 -6.928 13.046 6.634 1.00 15.73 O HETATM 1643 O HOH 95 -25.106 24.549 1.187 1.00 12.95 O HETATM 1644 O HOH 96 3.585 5.808 -12.583 1.00 7.82 O HETATM 1645 O HOH 97 -10.279 24.869 -0.043 1.00 11.71 O HETATM 1646 O HOH 98 -23.052 11.374 -15.277 1.00 9.17 O HETATM 1647 O HOH 99 2.475 19.954 4.579 1.00 8.85 O HETATM 1648 O HOH 100 -24.039 25.701 -7.896 1.00 16.76 O HETATM 1649 O HOH 101 6.363 18.662 -15.965 1.00 7.23 O HETATM 1650 O HOH 102 -15.326 27.018 -15.420 1.00 8.55 O HETATM 1651 O HOH 103 -4.538 -1.471 -3.877 1.00 5.03 O HETATM 1652 O HOH 104 -18.603 2.999 -13.202 1.00 9.79 O HETATM 1653 O HOH 105 -26.292 22.271 -23.703 1.00 14.15 O HETATM 1654 O HOH 106 -20.058 19.986 -19.971 1.00 11.54 O HETATM 1655 O HOH 107 -8.667 18.638 6.896 1.00 15.21 O HETATM 1656 O HOH 108 2.596 -3.322 -15.992 1.00 11.28 O HETATM 1657 O HOH 109 -0.147 24.093 -18.908 1.00 21.28 O HETATM 1658 O HOH 110 -5.929 15.499 6.592 1.00 26.12 O HETATM 1659 O HOH 111 -25.794 14.382 -5.062 1.00 4.04 O HETATM 1660 O HOH 112 -2.419 25.717 -27.119 1.00 13.15 O HETATM 1661 O HOH 113 -21.530 27.495 0.599 1.00 10.69 O HETATM 1662 O HOH 114 -6.526 17.982 -17.767 1.00 6.86 O HETATM 1663 O HOH 115 -9.968 14.129 8.616 1.00 20.62 O HETATM 1664 O HOH 116 -19.685 26.599 -3.325 1.00 30.00 O HETATM 1665 O HOH 117 -27.936 13.851 -0.060 1.00 22.69 O HETATM 1666 O HOH 118 -15.605 0.905 -11.581 1.00 8.22 O HETATM 1667 O HOH 119 3.864 19.829 -22.480 1.00 15.23 O HETATM 1668 O HOH 120 1.709 24.306 -5.671 1.00 22.21 O HETATM 1669 O HOH 121 -25.110 8.358 -11.868 1.00 8.06 O HETATM 1670 O HOH 122 -12.321 14.999 -15.361 1.00 5.31 O HETATM 1671 O HOH 123 -2.287 -1.741 -10.442 1.00 11.13 O HETATM 1672 O HOH 124 -25.846 19.541 -24.231 1.00 15.18 O HETATM 1673 O HOH 125 -27.523 6.050 -6.067 1.00 17.16 O HETATM 1674 O HOH 126 -2.554 11.647 -29.311 1.00 11.29 O HETATM 1675 O HOH 127 -11.517 14.931 -30.968 1.00 13.20 O HETATM 1676 O HOH 128 2.440 20.926 -17.309 1.00 12.00 O HETATM 1677 O HOH 129 -12.717 28.621 -23.103 1.00 12.07 O HETATM 1678 O HOH 130 -1.553 25.216 -30.496 1.00 18.48 O HETATM 1679 O HOH 131 2.611 23.082 -19.953 1.00 14.28 O HETATM 1680 O HOH 132 -3.360 28.168 -14.835 1.00 12.50 O HETATM 1681 O HOH 133 0.272 9.409 4.705 1.00 11.17 O HETATM 1682 O HOH 134 5.473 27.743 -17.257 1.00 24.47 O HETATM 1683 O HOH 135 -3.647 20.958 -10.440 1.00 5.81 O HETATM 1684 O HOH 136 -15.170 4.723 -24.143 1.00 14.76 O HETATM 1685 O HOH 137 -2.712 4.333 7.655 1.00 19.48 O HETATM 1686 O HOH 138 -16.919 20.737 -19.429 1.00 11.27 O HETATM 1687 O HOH 139 -17.415 13.832 -27.873 1.00 9.22 O HETATM 1688 O HOH 140 3.131 6.597 0.423 1.00 9.99 O HETATM 1689 O HOH 141 -1.227 -0.859 -4.058 1.00 6.79 O HETATM 1690 O HOH 142 -15.841 25.155 -7.806 1.00 7.11 O HETATM 1691 O HOH 143 -11.200 19.632 6.716 1.00 12.19 O HETATM 1692 O HOH 144 -22.279 9.424 -24.690 1.00 13.68 O HETATM 1693 O HOH 145 -7.591 16.253 -13.943 1.00 6.51 O HETATM 1694 O HOH 146 -7.768 23.627 -6.429 1.00 10.10 O HETATM 1695 O HOH 147 -14.931 9.436 2.521 1.00 19.11 O HETATM 1696 O HOH 148 -19.443 28.386 -15.786 1.00 9.96 O HETATM 1697 O HOH 149 -9.301 16.529 -31.055 1.00 8.05 O HETATM 1698 O HOH 150 -20.725 12.625 -0.217 1.00 24.88 O HETATM 1699 O HOH 151 -28.182 20.961 0.266 1.00 13.20 O HETATM 1700 O HOH 152 -8.785 6.046 -28.567 1.00 18.76 O HETATM 1701 O HOH 153 -23.843 14.612 -19.498 1.00 9.79 O HETATM 1702 O HOH 154 1.824 7.358 4.607 1.00 15.46 O HETATM 1703 O HOH 155 -0.497 27.232 -28.965 1.00 10.89 O HETATM 1704 O HOH 156 -13.927 13.248 5.439 1.00 15.19 O HETATM 1705 O HOH 157 -27.872 21.254 -2.599 1.00 14.97 O HETATM 1706 O HOH 158 2.563 4.376 2.158 1.00 18.38 O HETATM 1707 O HOH 159 -5.675 23.110 5.371 1.00 16.80 O HETATM 1708 O HOH 160 1.927 25.589 -18.197 1.00 19.75 O HETATM 1709 O HOH 161 -12.705 4.579 7.948 1.00 24.19 O HETATM 1710 O HOH 162 -22.798 16.852 -28.112 1.00 28.46 O HETATM 1711 O HOH 163 1.763 22.187 1.134 1.00 8.85 O HETATM 1712 O HOH 164 -1.164 25.133 -5.023 1.00 14.18 O HETATM 1713 O HOH 165 -14.050 26.722 -24.478 1.00 11.02 O HETATM 1714 O HOH 166 8.251 5.194 -8.930 1.00 10.19 O HETATM 1715 O HOH 167 -20.673 23.087 -20.364 1.00 30.00 O HETATM 1716 O HOH 168 3.331 3.896 -10.710 1.00 11.84 O HETATM 1717 O HOH 169 1.460 1.188 -26.840 1.00 21.02 O HETATM 1718 O HOH 170 9.227 10.336 -17.505 1.00 22.35 O HETATM 1719 O HOH 171 -15.832 20.185 -21.886 1.00 12.05 O HETATM 1720 O HOH 172 -18.017 26.288 -0.787 1.00 18.76 O HETATM 1721 O HOH 173 4.320 27.244 -24.553 1.00 18.13 O HETATM 1722 O HOH 174 -1.345 26.688 -16.368 1.00 11.42 O HETATM 1723 O HOH 175 1.312 24.316 3.645 1.00 10.45 O HETATM 1724 O HOH 176 -22.949 7.839 -4.466 1.00 9.37 O HETATM 1725 O HOH 177 3.587 3.048 -6.644 1.00 29.90 O HETATM 1726 O HOH 178 -8.671 19.201 -15.525 1.00 8.31 O HETATM 1727 O HOH 179 -11.705 26.839 1.699 1.00 26.63 O HETATM 1728 O HOH 180 -0.612 -2.710 -5.981 1.00 14.45 O HETATM 1729 O HOH 181 -5.238 28.609 -12.583 1.00 20.66 O HETATM 1730 O HOH 182 -26.183 28.159 -14.848 1.00 14.12 O HETATM 1731 O HOH 183 -7.081 30.589 -11.784 1.00 12.98 O HETATM 1732 O HOH 184 8.342 26.425 -22.573 1.00 22.07 O HETATM 1733 O HOH 185 -9.878 16.752 -15.325 1.00 9.68 O HETATM 1734 O HOH 186 -18.494 23.142 -18.588 1.00 8.79 O HETATM 1735 O HOH 187 -1.470 8.795 7.137 1.00 10.39 O HETATM 1736 O HOH 188 -5.920 7.372 -27.764 1.00 5.35 O HETATM 1737 O HOH 189 -20.322 3.818 -11.329 1.00 18.07 O HETATM 1738 O HOH 190 4.521 5.396 -16.762 1.00 15.77 O HETATM 1739 O HOH 191 -0.954 27.869 2.284 1.00 11.41 O HETATM 1740 O HOH 192 -9.730 10.544 -30.842 1.00 30.77 O HETATM 1741 O HOH 193 0.062 24.572 -26.854 1.00 18.39 O HETATM 1742 O HOH 194 -7.990 -1.133 -20.202 1.00 6.50 O HETATM 1743 O HOH 195 -2.714 28.727 4.412 1.00 18.37 O HETATM 1744 O HOH 196 -17.654 22.982 -1.146 1.00 2.42 O HETATM 1745 O HOH 197 -11.542 10.716 7.986 1.00 15.49 O HETATM 1746 O HOH 198 -2.008 0.436 -19.423 1.00 8.11 O HETATM 1747 O HOH 199 -21.601 14.785 3.444 1.00 12.99 O HETATM 1748 O HOH 200 4.000 19.893 -15.435 1.00 8.31 O HETATM 1749 O HOH 201 3.955 24.903 -3.588 1.00 20.02 O HETATM 1750 O HOH 202 -3.079 33.433 -13.124 1.00 8.12 O HETATM 1751 O HOH 203 -16.649 25.472 -26.553 1.00 15.54 O HETATM 1752 O HOH 204 -12.547 0.265 4.367 1.00 40.26 O HETATM 1753 O HOH 205 -37.854 18.225 -11.608 1.00 5.52 O HETATM 1754 O HOH 206 5.642 6.288 -0.798 1.00 25.02 O HETATM 1755 O HOH 207 2.340 25.203 -11.538 1.00 12.57 O HETATM 1756 O HOH 208 -23.873 20.354 -26.124 1.00 23.42 O HETATM 1757 O HOH 209 -5.489 32.854 -11.181 1.00 19.32 O HETATM 1758 O HOH 210 -36.680 18.454 -9.051 1.00 4.36 O HETATM 1759 O HOH 211 -6.333 26.074 -6.474 1.00 25.16 O HETATM 1760 O HOH 212 0.932 22.153 5.254 1.00 22.74 O HETATM 1761 O HOH 213 -2.030 26.534 -11.488 1.00 18.26 O HETATM 1762 O HOH 214 7.110 26.540 -24.720 1.00 27.33 O HETATM 1763 O HOH 215 -3.705 10.599 7.541 1.00 13.75 O HETATM 1764 O HOH 216 -15.155 5.037 6.492 1.00 30.00 O HETATM 1765 O HOH 217 -16.478 22.741 5.811 1.00 20.97 O HETATM 1766 O HOH 218 -0.104 5.786 8.460 1.00 17.49 O HETATM 1767 O HOH 219 1.024 5.511 -22.548 1.00 24.60 O HETATM 1768 O HOH 220 -21.584 31.535 -14.649 1.00 14.26 O HETATM 1769 O HOH 221 -20.387 16.026 -30.652 1.00 10.08 O HETATM 1770 O HOH 222 -17.627 27.109 -6.966 1.00 10.51 O HETATM 1771 O HOH 223 4.834 3.905 -4.186 1.00 32.40 O HETATM 1772 O HOH 224 -27.618 23.307 1.612 1.00 12.88 O HETATM 1773 O HOH 225 -20.981 30.300 -17.038 1.00 11.19 O HETATM 1774 O HOH 226 -19.888 21.666 -27.745 1.00 21.34 O HETATM 1775 O HOH 227 0.800 2.792 -22.183 1.00 12.61 O HETATM 1776 O HOH 228 3.373 7.225 -25.247 1.00 24.19 O HETATM 1777 O HOH 229 9.455 13.977 -19.879 1.00 10.31 O HETATM 1778 O HOH 230 -5.076 4.451 -27.920 1.00 30.96 O HETATM 1779 O HOH 231 2.448 1.112 -13.721 1.00 21.24 O HETATM 1780 O HOH 232 10.806 4.448 -9.690 1.00 21.50 O HETATM 1781 O HOH 233 -20.330 27.285 -7.605 1.00 12.02 O HETATM 1782 O HOH 234 4.898 7.780 -21.554 1.00 26.38 O HETATM 1783 O HOH 235 -21.195 28.236 -3.535 1.00 12.19 O HETATM 1784 O HOH 236 4.529 16.801 3.026 1.00 16.63 O HETATM 1785 O HOH 237 -13.030 17.852 7.938 1.00 13.66 O HETATM 1786 O HOH 238 -19.700 18.983 -26.863 1.00 22.78 O HETATM 1787 O HOH 239 -25.777 24.838 -1.374 1.00 23.43 O HETATM 1788 O HOH 240 -15.023 10.858 4.762 1.00 23.82 O HETATM 1789 O HOH 241 -26.603 25.463 -8.928 1.00 18.69 O HETATM 1790 O HOH 242 8.853 23.825 -25.822 1.00 22.81 O HETATM 1791 O HOH 243 -24.883 9.329 -14.621 1.00 10.94 O HETATM 1792 O HOH 244 -15.972 24.542 -3.212 1.00 12.49 O HETATM 1793 O HOH 245 1.646 24.005 -24.425 1.00 18.91 O HETATM 1794 O HOH 246 -21.236 29.341 -1.399 1.00 19.38 O HETATM 1795 O HOH 247 -25.203 12.347 2.045 1.00 23.58 O HETATM 1796 O HOH 248 5.480 20.610 1.868 1.00 10.49 O HETATM 1797 O HOH 249 -13.454 23.102 -29.310 1.00 5.50 O HETATM 1798 O HOH 250 -17.696 15.497 -29.946 1.00 18.93 O HETATM 1799 O HOH 251 -5.707 27.573 -8.813 1.00 17.57 O HETATM 1800 O HOH 252 -17.195 26.921 -4.294 1.00 16.14 O HETATM 1801 O HOH 253 -13.967 15.147 7.525 1.00 12.34 O HETATM 1802 O HOH 254 -23.621 4.264 -7.549 1.00 25.54 O HETATM 1803 O HOH 255 -11.657 -1.577 -1.413 1.00 12.54 O HETATM 1804 O HOH 256 7.494 11.762 -23.343 1.00 16.45 O HETATM 1805 O HOH 257 8.226 9.876 -21.617 1.00 23.12 O HETATM 1806 O HOH 258 -20.359 1.481 -17.247 1.00 20.72 O HETATM 1807 O HOH 259 1.479 0.917 -24.128 1.00 14.62 O HETATM 1808 O HOH 260 -18.469 19.897 -22.416 1.00 13.67 O HETATM 1809 O HOH 261 -19.374 3.973 -24.315 1.00 28.03 O HETATM 1810 O HOH 262 -14.363 20.258 8.285 1.00 17.57 O HETATM 1811 O HOH 263 -15.493 23.856 0.844 1.00 17.25 O HETATM 1812 O HOH 264 -24.755 5.488 -5.171 1.00 22.10 O HETATM 1813 O HOH 265 -6.373 12.431 -28.794 1.00 17.49 O HETATM 1814 O HOH 266 -4.293 10.349 -30.949 1.00 21.76 O HETATM 1815 O HOH 267 -4.958 0.344 -25.828 1.00 16.28 O HETATM 1816 O HOH 268 -11.076 27.569 -3.611 1.00 19.60 O HETATM 1817 O HOH 269 -6.558 9.661 -29.634 1.00 16.95 O HETATM 1818 O HOH 270 4.756 1.104 -2.766 1.00 25.06 O HETATM 1819 O HOH 271 -7.117 29.978 -8.881 1.00 20.18 O HETATM 1820 O HOH 272 -4.402 29.131 0.097 1.00 17.84 O HETATM 1821 O HOH 273 4.473 14.141 -25.031 1.00 11.79 O HETATM 1822 O HOH 274 -14.029 25.612 -1.614 1.00 19.60 O HETATM 1823 O HOH 275 3.323 5.090 -19.188 1.00 21.61 O HETATM 1824 O HOH 276 -22.770 26.500 -26.537 1.00 16.37 O HETATM 1825 O HOH 277 -9.113 18.057 9.640 1.00 17.94 O HETATM 1826 O HOH 278 4.462 23.079 1.317 1.00 9.98 O HETATM 1827 O HOH 279 4.911 11.606 -24.267 1.00 10.76 O HETATM 1828 O HOH 280 -4.373 18.652 4.947 1.00 39.04 O HETATM 1829 O HOH 281 -22.310 6.883 -26.083 1.00 17.62 O HETATM 1830 O HOH 282 -17.697 4.671 -1.648 1.00 28.31 O HETATM 1831 O HOH 283 4.083 24.691 3.607 1.00 6.79 O HETATM 1832 O HOH 284 5.536 24.140 -1.082 1.00 15.30 O HETATM 1833 O HOH 285 -8.869 30.253 -6.615 1.00 28.45 O HETATM 1834 O HOH 286 -24.361 14.604 3.522 1.00 10.00 O HETATM 1835 O HOH 287 -14.664 25.302 5.536 1.00 24.16 O HETATM 1836 O HOH 288 -11.782 18.122 10.494 1.00 14.13 O HETATM 1837 C1 UNN A 289 -9.743 26.686 -17.921 1.00 -0.04 C HETATM 1838 C3 UNN A 289 -10.624 27.749 -18.061 1.00 -0.05 C HETATM 1839 C7 UNN A 289 -11.967 27.596 -17.724 1.00 0.02 C HETATM 1840 C4 UNN A 289 -12.403 26.328 -17.335 1.00 -0.05 C HETATM 1841 C2 UNN A 289 -11.557 25.291 -17.238 1.00 -0.04 C HETATM 1842 C5 UNN A 289 -10.215 25.416 -17.522 1.00 0.04 C HETATM 1843 C12 UNN A 289 -9.404 24.083 -17.192 1.00 0.15 C HETATM 1844 C13 UNN A 289 -7.920 24.144 -17.039 1.00 0.10 C HETATM 1845 S21 UNN A 289 -7.035 23.722 -18.651 1.00 0.03 S HETATM 1846 C11 UNN A 289 -8.085 22.447 -19.175 1.00 0.26 C HETATM 1847 N15 UNN A 289 -9.002 22.603 -20.137 1.00 -0.19 N HETATM 1848 C8 UNN A 289 -9.681 21.423 -20.260 1.00 0.26 C HETATM 1849 C6 UNN A 289 -9.107 20.551 -19.352 1.00 0.30 C HETATM 1850 C9 UNN A 289 -9.648 19.269 -19.234 1.00 0.30 C HETATM 1851 N16 UNN A 289 -10.736 19.055 -20.056 1.00 -0.24 N HETATM 1852 C10 UNN A 289 -11.243 19.978 -20.909 1.00 0.19 C HETATM 1853 N14 UNN A 289 -10.739 21.205 -21.047 1.00 -0.23 N HETATM 1854 H7 UNN A 289 -11.124 21.910 -21.692 1.00 0.24 H HETATM 1855 N18 UNN A 289 -12.297 19.619 -21.640 1.00 -0.34 N HETATM 1856 H10 UNN A 289 -12.716 20.287 -22.302 1.00 0.18 H HETATM 1857 H11 UNN A 289 -12.693 18.673 -21.543 1.00 0.18 H HETATM 1858 H8 UNN A 289 -11.180 18.160 -20.020 1.00 0.18 H HETATM 1859 O20 UNN A 289 -9.261 18.356 -18.462 1.00 -0.34 O HETATM 1860 N17 UNN A 289 -8.040 21.181 -18.715 1.00 -0.15 N HETATM 1861 H9 UNN A 289 -7.371 20.773 -18.047 1.00 0.27 H HETATM 1862 H5 UNN A 289 -7.612 23.426 -16.265 1.00 0.07 H HETATM 1863 H6 UNN A 289 -7.635 25.161 -16.731 1.00 0.07 H HETATM 1864 O19 UNN A 289 -10.052 23.062 -16.899 1.00 -0.38 O HETATM 1865 H2 UNN A 289 -11.941 24.326 -16.927 1.00 0.07 H HETATM 1866 H4 UNN A 289 -13.452 26.177 -17.105 1.00 0.07 H HETATM 1867 BR1 UNN A 289 -13.206 28.981 -17.829 1.00 -0.05 BR HETATM 1868 H3 UNN A 289 -10.266 28.702 -18.434 1.00 0.07 H HETATM 1869 H1 UNN A 289 -8.687 26.831 -18.119 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 12 11 1554 CONECT 235 234 1549 CONECT 249 248 1549 CONECT 269 268 1555 CONECT 275 274 1549 CONECT 447 446 1550 CONECT 448 446 1550 CONECT 569 568 1555 CONECT 819 818 1550 CONECT 820 818 1550 CONECT 908 907 1552 CONECT 909 907 1551 CONECT 926 925 1552 CONECT 927 925 1551 CONECT 1339 1337 1553 CONECT 1549 235 249 275 CONECT 1550 447 448 819 820 CONECT 1551 909 927 CONECT 1552 908 926 CONECT 1553 1339 CONECT 1554 12 CONECT 1555 269 569 CONECT 1837 1838 1842 1869 CONECT 1838 1837 1839 1868 CONECT 1839 1838 1840 1867 CONECT 1840 1839 1841 1866 CONECT 1841 1840 1842 1865 CONECT 1842 1837 1841 1843 CONECT 1843 1842 1844 1864 CONECT 1844 1843 1845 1862 1863 CONECT 1845 1844 1846 CONECT 1846 1845 1847 1860 CONECT 1847 1846 1848 CONECT 1848 1847 1849 1853 CONECT 1849 1848 1850 1860 CONECT 1850 1849 1851 1859 CONECT 1851 1850 1852 1858 CONECT 1852 1851 1853 1855 CONECT 1853 1848 1852 1854 CONECT 1854 1853 CONECT 1855 1852 1856 1857 CONECT 1856 1855 CONECT 1857 1855 CONECT 1858 1851 CONECT 1859 1850 CONECT 1860 1846 1849 1861 CONECT 1861 1860 CONECT 1862 1844 CONECT 1863 1844 CONECT 1864 1843 CONECT 1865 1841 CONECT 1866 1840 CONECT 1867 1839 CONECT 1868 1838 CONECT 1869 1837 MASTER 0 0 0 0 0 0 0 0 1868 1 59 13 END
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Related entries of code: 5etp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
158aa, >1EX8_1|Chain... at 100%
1ru1
RCSB PDB
PDBbind
152aa, >1RU1_1|Chains... at 99%
1ru2
RCSB PDB
PDBbind
152aa, >1RU2_1|Chain... at 99%
1tmm
RCSB PDB
PDBbind
158aa, >1TMM_1|Chains... at 99%
3ud5
RCSB PDB
PDBbind
158aa, >3UD5_1|Chain... at 100%
3udv
RCSB PDB
PDBbind
158aa, >3UDV_1|Chain... at 100%
4f7v
RCSB PDB
PDBbind
158aa, >4F7V_1|Chain... at 100%
4m5g
RCSB PDB
PDBbind
162aa, >4M5G_1|Chain... *
4m5h
RCSB PDB
PDBbind
162aa, >4M5H_1|Chain... at 100%
4m5i
RCSB PDB
PDBbind
162aa, >4M5I_1|Chain... at 100%
4m5j
RCSB PDB
PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5k
RCSB PDB
PDBbind
162aa, >4M5K_1|Chain... at 100%
4m5l
RCSB PDB
PDBbind
162aa, >4M5L_1|Chain... at 100%
4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
5etk
RCSB PDB
PDBbind
162aa, >5ETK_1|Chain... at 99%
5etl
RCSB PDB
PDBbind
162aa, >5ETL_1|Chains... at 99%
5etm
RCSB PDB
PDBbind
162aa, >5ETM_1|Chain... at 99%
5etn
RCSB PDB
PDBbind
162aa, >5ETN_1|Chain... at 99%
5eto
RCSB PDB
PDBbind
162aa, >5ETO_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5etv
RCSB PDB
PDBbind
5RZ
Entry Information
PDB ID
5etp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (EcHPPK)
Ligand Name
5RZ
EC.Number
E.C.2.7.6.3
Resolution
1.05(Å)
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5248-5263
Ligand Properties
Formula
C
1
3
H
1
1
BrN
5
O
2
S
Molecular Weight
381.228
Exact Mass
379.982
No. of atoms
33
No. of bonds
35
Polar Surface Area
144.07
LOGP Value
3.16 (
Computed with XLOGP3
)
1.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
Brc1ccc(cc1)C(=O)CSc1[nH]c2c(n1)[nH+]c([nH]c2=O)N
InChI String
InChI=1S/C13H10BrN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
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