Browse entries in the PDBbind-CN Database
HEADER 5ML4_COMPLEX COMPND 5ML4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 149 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 149 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR SEQRES 3 B 149 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 149 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 149 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 149 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 149 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 149 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 149 GLN SER LEU ILE GLU ALA ALA PRO GLU SER GLN MET MET SEQRES 10 B 149 PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE GLU THR SEQRES 11 B 149 LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SER ARG SEQRES 12 B 149 VAL ARG LEU PHE TYR VAL HET RRQ A 213 87 ATOM 1 N SER B 2 -3.689 0.960 16.385 1.00 31.25 N ATOM 2 CA SER B 2 -3.804 1.521 17.774 1.00 31.01 C ATOM 3 C SER B 2 -5.250 1.644 18.237 1.00 28.75 C ATOM 4 O SER B 2 -6.174 1.660 17.425 1.00 27.60 O ATOM 5 CB SER B 2 -3.109 2.892 17.900 1.00 32.82 C ATOM 6 OG SER B 2 -3.964 3.988 17.549 1.00 34.59 O ATOM 7 HG SER B 2 -4.261 3.886 16.610 1.00 0.00 H ATOM 8 HN3 SER B 2 -4.187 1.584 15.718 1.00 0.00 H ATOM 9 HN2 SER B 2 -4.115 0.012 16.359 1.00 0.00 H ATOM 10 HN1 SER B 2 -2.685 0.897 16.120 1.00 0.00 H ATOM 11 N ALA B 3 -5.416 1.731 19.551 1.00 27.80 N ATOM 12 CA ALA B 3 -6.729 1.836 20.199 1.00 30.21 C ATOM 13 C ALA B 3 -7.528 3.058 19.738 1.00 30.08 C ATOM 14 O ALA B 3 -8.750 3.004 19.631 1.00 27.68 O ATOM 15 CB ALA B 3 -6.571 1.874 21.726 1.00 29.53 C ATOM 16 H ALA B 3 -4.569 1.724 20.155 1.00 0.00 H ATOM 17 N LYS B 4 -6.816 4.154 19.500 1.00 31.98 N ATOM 18 CA LYS B 4 -7.415 5.406 19.035 1.00 34.03 C ATOM 19 C LYS B 4 -7.944 5.326 17.592 1.00 30.35 C ATOM 20 O LYS B 4 -9.016 5.844 17.322 1.00 29.35 O ATOM 21 CB LYS B 4 -6.412 6.554 19.184 1.00 35.50 C ATOM 22 CG LYS B 4 -6.296 7.025 20.617 1.00 41.02 C ATOM 23 CD LYS B 4 -5.267 8.131 20.793 1.00 46.70 C ATOM 24 CE LYS B 4 -5.442 8.767 22.168 1.00 53.99 C ATOM 25 NZ LYS B 4 -4.197 9.415 22.675 1.00 58.63 N ATOM 26 HZ1 LYS B 4 -3.443 8.703 22.750 1.00 0.00 H ATOM 27 HZ2 LYS B 4 -3.904 10.164 22.015 1.00 0.00 H ATOM 28 HZ3 LYS B 4 -4.380 9.828 23.612 1.00 0.00 H ATOM 29 H LYS B 4 -5.788 4.121 19.651 1.00 0.00 H ATOM 30 N ASP B 5 -7.207 4.687 16.681 1.00 27.56 N ATOM 31 CA ASP B 5 -7.730 4.461 15.321 1.00 29.14 C ATOM 32 C ASP B 5 -9.007 3.580 15.374 1.00 26.61 C ATOM 33 O ASP B 5 -9.957 3.825 14.643 1.00 24.02 O ATOM 34 CB ASP B 5 -6.699 3.802 14.376 1.00 31.24 C ATOM 35 CG ASP B 5 -5.353 4.544 14.324 1.00 36.78 C ATOM 36 OD1 ASP B 5 -5.233 5.560 13.598 1.00 40.57 O ATOM 37 OD2 ASP B 5 -4.396 4.079 14.995 1.00 39.81 O ATOM 38 H ASP B 5 -6.257 4.346 16.932 1.00 0.00 H ATOM 39 N GLU B 6 -9.017 2.564 16.235 1.00 25.39 N ATOM 40 CA GLU B 6 -10.193 1.697 16.389 1.00 26.34 C ATOM 41 C GLU B 6 -11.374 2.459 17.025 1.00 23.14 C ATOM 42 O GLU B 6 -12.507 2.351 16.562 1.00 22.44 O ATOM 43 CB GLU B 6 -9.852 0.467 17.227 1.00 28.15 C ATOM 44 CG GLU B 6 -11.030 -0.458 17.504 1.00 28.68 C ATOM 45 CD GLU B 6 -11.483 -1.240 16.267 1.00 32.08 C ATOM 46 OE1 GLU B 6 -10.724 -1.314 15.270 1.00 33.19 O ATOM 47 OE2 GLU B 6 -12.609 -1.802 16.305 1.00 33.24 O ATOM 48 H GLU B 6 -8.172 2.380 16.812 1.00 0.00 H ATOM 49 N ARG B 7 -11.108 3.223 18.076 1.00 20.56 N ATOM 50 CA ARG B 7 -12.156 4.003 18.720 1.00 20.38 C ATOM 51 C ARG B 7 -12.832 4.947 17.711 1.00 20.11 C ATOM 52 O ARG B 7 -14.049 4.949 17.625 1.00 21.21 O ATOM 53 CB ARG B 7 -11.599 4.782 19.911 1.00 21.63 C ATOM 54 CG ARG B 7 -12.615 5.631 20.660 1.00 22.83 C ATOM 55 CD ARG B 7 -13.783 4.792 21.156 1.00 24.65 C ATOM 56 NE ARG B 7 -14.826 5.583 21.800 1.00 28.01 N ATOM 57 CZ ARG B 7 -16.089 5.186 21.972 1.00 28.48 C ATOM 58 NH1 ARG B 7 -16.506 4.005 21.525 1.00 26.73 N ATOM 59 NH2 ARG B 7 -16.950 6.001 22.577 1.00 30.61 N ATOM 60 HE ARG B 7 -14.566 6.527 22.151 1.00 0.00 H ATOM 61 HH12 ARG B 7 -17.494 3.714 21.669 1.00 0.00 H ATOM 62 HH11 ARG B 7 -15.844 3.373 21.032 1.00 0.00 H ATOM 63 HH22 ARG B 7 -17.937 5.704 22.717 1.00 0.00 H ATOM 64 HH21 ARG B 7 -16.636 6.935 22.910 1.00 0.00 H ATOM 65 H ARG B 7 -10.137 3.266 18.446 1.00 0.00 H ATOM 66 N ALA B 8 -12.035 5.695 16.932 1.00 19.05 N ATOM 67 CA ALA B 8 -12.528 6.601 15.847 1.00 18.97 C ATOM 68 C ALA B 8 -13.505 5.937 14.860 1.00 18.52 C ATOM 69 O ALA B 8 -14.539 6.519 14.471 1.00 18.25 O ATOM 70 CB ALA B 8 -11.350 7.164 15.061 1.00 18.60 C ATOM 71 H ALA B 8 -11.009 5.642 17.093 1.00 0.00 H ATOM 72 N ARG B 9 -13.159 4.731 14.455 1.00 17.88 N ATOM 73 CA ARG B 9 -13.978 3.957 13.552 1.00 19.45 C ATOM 74 C ARG B 9 -15.257 3.494 14.236 1.00 18.05 C ATOM 75 O ARG B 9 -16.318 3.417 13.587 1.00 17.57 O ATOM 76 CB ARG B 9 -13.196 2.746 13.048 1.00 23.66 C ATOM 77 CG ARG B 9 -12.038 3.087 12.114 1.00 26.82 C ATOM 78 CD ARG B 9 -11.350 1.810 11.656 1.00 33.08 C ATOM 79 NE ARG B 9 -10.387 2.068 10.593 1.00 42.38 N ATOM 80 CZ ARG B 9 -9.757 1.126 9.888 1.00 48.99 C ATOM 81 NH1 ARG B 9 -9.994 -0.174 10.110 1.00 53.31 N ATOM 82 NH2 ARG B 9 -8.895 1.481 8.937 1.00 50.70 N ATOM 83 HE ARG B 9 -10.175 3.061 10.367 1.00 0.00 H ATOM 84 HH12 ARG B 9 -9.495 -0.896 9.552 1.00 0.00 H ATOM 85 HH11 ARG B 9 -10.677 -0.461 10.840 1.00 0.00 H ATOM 86 HH22 ARG B 9 -8.401 0.752 8.384 1.00 0.00 H ATOM 87 HH21 ARG B 9 -8.716 2.488 8.747 1.00 0.00 H ATOM 88 H ARG B 9 -12.266 4.323 14.798 1.00 0.00 H ATOM 89 N GLU B 10 -15.173 3.213 15.544 1.00 16.86 N ATOM 90 CA GLU B 10 -16.358 2.850 16.316 1.00 15.99 C ATOM 91 C GLU B 10 -17.343 3.985 16.375 1.00 15.23 C ATOM 92 O GLU B 10 -18.519 3.758 16.214 1.00 14.63 O ATOM 93 CB GLU B 10 -16.006 2.406 17.741 1.00 16.88 C ATOM 94 H GLU B 10 -14.248 3.254 16.017 1.00 0.00 H ATOM 95 N ILE B 11 -16.860 5.202 16.645 1.00 16.00 N ATOM 96 CA ILE B 11 -17.712 6.402 16.707 1.00 16.29 C ATOM 97 C ILE B 11 -18.325 6.672 15.315 1.00 16.47 C ATOM 98 O ILE B 11 -19.532 6.930 15.186 1.00 16.47 O ATOM 99 CB ILE B 11 -16.916 7.638 17.170 1.00 16.99 C ATOM 100 CG1 ILE B 11 -16.323 7.416 18.580 1.00 17.93 C ATOM 101 CG2 ILE B 11 -17.798 8.864 17.191 1.00 17.04 C ATOM 102 CD1 ILE B 11 -15.281 8.424 19.015 1.00 17.66 C ATOM 103 H ILE B 11 -15.840 5.306 16.819 1.00 0.00 H ATOM 104 N LEU B 12 -17.495 6.596 14.275 1.00 16.05 N ATOM 105 CA LEU B 12 -17.995 6.778 12.925 1.00 16.18 C ATOM 106 C LEU B 12 -19.129 5.795 12.642 1.00 15.48 C ATOM 107 O LEU B 12 -20.210 6.187 12.239 1.00 15.06 O ATOM 108 CB LEU B 12 -16.898 6.598 11.892 1.00 17.02 C ATOM 109 CG LEU B 12 -17.374 6.758 10.427 1.00 17.41 C ATOM 110 CD1 LEU B 12 -18.186 8.042 10.307 1.00 17.79 C ATOM 111 CD2 LEU B 12 -16.145 6.811 9.499 1.00 17.34 C ATOM 112 H LEU B 12 -16.485 6.405 14.432 1.00 0.00 H ATOM 113 N ARG B 13 -18.884 4.521 12.883 1.00 15.70 N ATOM 114 CA ARG B 13 -19.927 3.490 12.722 1.00 16.03 C ATOM 115 C ARG B 13 -21.258 3.795 13.399 1.00 16.13 C ATOM 116 O ARG B 13 -22.331 3.498 12.840 1.00 16.70 O ATOM 117 CB ARG B 13 -19.414 2.158 13.254 1.00 16.73 C ATOM 118 CG ARG B 13 -20.444 1.031 13.177 1.00 17.36 C ATOM 119 CD ARG B 13 -19.863 -0.325 13.555 1.00 17.60 C ATOM 120 NE ARG B 13 -20.944 -1.291 13.487 1.00 19.62 N ATOM 121 CZ ARG B 13 -21.396 -1.842 12.360 1.00 20.37 C ATOM 122 NH1 ARG B 13 -20.830 -1.581 11.172 1.00 21.28 N ATOM 123 NH2 ARG B 13 -22.405 -2.665 12.428 1.00 19.71 N ATOM 124 HE ARG B 13 -21.398 -1.573 14.379 1.00 0.00 H ATOM 125 HH12 ARG B 13 -21.204 -2.025 10.309 1.00 0.00 H ATOM 126 HH11 ARG B 13 -20.017 -0.934 11.114 1.00 0.00 H ATOM 127 HH22 ARG B 13 -22.775 -3.107 11.562 1.00 0.00 H ATOM 128 HH21 ARG B 13 -22.840 -2.880 13.348 1.00 0.00 H ATOM 129 H ARG B 13 -17.933 4.237 13.194 1.00 0.00 H ATOM 130 N GLY B 14 -21.202 4.343 14.612 1.00 15.83 N ATOM 131 CA GLY B 14 -22.413 4.669 15.336 1.00 15.85 C ATOM 132 C GLY B 14 -23.018 6.014 15.050 1.00 16.74 C ATOM 133 O GLY B 14 -24.045 6.348 15.609 1.00 17.56 O ATOM 134 H GLY B 14 -20.277 4.539 15.044 1.00 0.00 H ATOM 135 N PHE B 15 -22.407 6.787 14.157 1.00 17.86 N ATOM 136 CA PHE B 15 -22.813 8.153 13.937 1.00 18.52 C ATOM 137 C PHE B 15 -23.717 8.328 12.715 1.00 19.73 C ATOM 138 O PHE B 15 -23.510 7.709 11.686 1.00 19.34 O ATOM 139 CB PHE B 15 -21.558 9.006 13.801 1.00 19.48 C ATOM 140 CG PHE B 15 -21.834 10.468 13.686 1.00 19.32 C ATOM 141 CD1 PHE B 15 -21.971 11.240 14.818 1.00 19.74 C ATOM 142 CD2 PHE B 15 -21.958 11.068 12.434 1.00 19.99 C ATOM 143 CE1 PHE B 15 -22.259 12.599 14.718 1.00 20.40 C ATOM 144 CE2 PHE B 15 -22.237 12.419 12.315 1.00 19.76 C ATOM 145 CZ PHE B 15 -22.389 13.187 13.462 1.00 20.85 C ATOM 146 H PHE B 15 -21.617 6.397 13.604 1.00 0.00 H ATOM 147 N LYS B 16 -24.697 9.213 12.845 1.00 22.12 N ATOM 148 CA LYS B 16 -25.629 9.561 11.792 1.00 24.36 C ATOM 149 C LYS B 16 -26.004 11.045 11.928 1.00 24.65 C ATOM 150 O LYS B 16 -26.368 11.502 13.006 1.00 24.06 O ATOM 151 CB LYS B 16 -26.896 8.717 11.933 1.00 28.34 C ATOM 152 CG LYS B 16 -27.943 8.877 10.847 1.00 29.92 C ATOM 153 CD LYS B 16 -27.436 8.275 9.549 1.00 36.11 C ATOM 154 CE LYS B 16 -28.292 8.652 8.339 1.00 37.79 C ATOM 155 NZ LYS B 16 -29.545 7.867 8.375 1.00 39.63 N ATOM 156 HZ1 LYS B 16 -29.318 6.853 8.343 1.00 0.00 H ATOM 157 HZ2 LYS B 16 -30.062 8.081 9.252 1.00 0.00 H ATOM 158 HZ3 LYS B 16 -30.133 8.118 7.555 1.00 0.00 H ATOM 159 H LYS B 16 -24.803 9.688 13.764 1.00 0.00 H ATOM 160 N LEU B 17 -25.895 11.794 10.832 1.00 24.77 N ATOM 161 CA LEU B 17 -26.505 13.101 10.723 1.00 24.88 C ATOM 162 C LEU B 17 -27.921 12.868 10.186 1.00 25.37 C ATOM 163 O LEU B 17 -28.082 12.281 9.123 1.00 25.30 O ATOM 164 CB LEU B 17 -25.700 13.947 9.752 1.00 27.65 C ATOM 165 CG LEU B 17 -25.862 15.457 9.821 1.00 30.96 C ATOM 166 CD1 LEU B 17 -25.383 15.947 11.172 1.00 32.08 C ATOM 167 CD2 LEU B 17 -25.051 16.120 8.722 1.00 32.96 C ATOM 168 H LEU B 17 -25.352 11.426 10.025 1.00 0.00 H ATOM 169 N ASN B 18 -28.947 13.283 10.926 1.00 24.79 N ATOM 170 CA ASN B 18 -30.344 13.051 10.513 1.00 25.57 C ATOM 171 C ASN B 18 -30.915 14.195 9.718 1.00 25.01 C ATOM 172 O ASN B 18 -31.605 13.984 8.733 1.00 28.21 O ATOM 173 CB ASN B 18 -31.253 12.837 11.709 1.00 25.52 C ATOM 174 CG ASN B 18 -30.745 11.762 12.619 1.00 25.48 C ATOM 175 OD1 ASN B 18 -30.537 10.625 12.190 1.00 25.58 O ATOM 176 ND2 ASN B 18 -30.528 12.110 13.868 1.00 23.85 N ATOM 177 HD22 ASN B 18 -30.721 13.084 14.177 1.00 0.00 H ATOM 178 HD21 ASN B 18 -30.164 11.411 14.547 1.00 0.00 H ATOM 179 H ASN B 18 -28.759 13.784 11.818 1.00 0.00 H ATOM 180 N TRP B 19 -30.673 15.411 10.167 1.00 24.82 N ATOM 181 CA TRP B 19 -31.176 16.562 9.426 1.00 25.61 C ATOM 182 C TRP B 19 -30.435 17.805 9.795 1.00 25.16 C ATOM 183 O TRP B 19 -29.699 17.834 10.779 1.00 23.62 O ATOM 184 CB TRP B 19 -32.697 16.774 9.603 1.00 25.01 C ATOM 185 CG TRP B 19 -33.213 16.960 10.995 1.00 24.97 C ATOM 186 CD1 TRP B 19 -33.830 16.013 11.770 1.00 25.55 C ATOM 187 CD2 TRP B 19 -33.197 18.159 11.775 1.00 26.16 C ATOM 188 NE1 TRP B 19 -34.199 16.548 12.982 1.00 25.43 N ATOM 189 CE2 TRP B 19 -33.818 17.861 13.018 1.00 26.59 C ATOM 190 CE3 TRP B 19 -32.713 19.447 11.559 1.00 25.28 C ATOM 191 CZ2 TRP B 19 -33.975 18.814 14.029 1.00 26.77 C ATOM 192 CZ3 TRP B 19 -32.863 20.388 12.565 1.00 26.69 C ATOM 193 CH2 TRP B 19 -33.489 20.068 13.787 1.00 26.99 C ATOM 194 HE1 TRP B 19 -34.687 16.038 13.746 1.00 0.00 H ATOM 195 H TRP B 19 -30.128 15.548 11.042 1.00 0.00 H ATOM 196 N MET B 20 -30.651 18.837 8.988 1.00 26.04 N ATOM 197 CA MET B 20 -29.951 20.079 9.166 1.00 27.14 C ATOM 198 C MET B 20 -30.683 21.213 8.458 1.00 26.22 C ATOM 199 O MET B 20 -31.322 21.025 7.407 1.00 25.56 O ATOM 200 CB MET B 20 -28.537 19.903 8.613 1.00 29.73 C ATOM 201 CG MET B 20 -27.720 21.181 8.563 1.00 33.93 C ATOM 202 SD MET B 20 -25.950 20.898 8.311 1.00 38.10 S ATOM 203 CE MET B 20 -26.008 19.610 7.064 1.00 36.44 C ATOM 204 H MET B 20 -31.339 18.745 8.214 1.00 0.00 H ATOM 205 N ASN B 21 -30.591 22.400 9.031 1.00 26.34 N ATOM 206 CA ASN B 21 -31.015 23.580 8.323 1.00 27.54 C ATOM 207 C ASN B 21 -30.101 24.762 8.584 1.00 27.42 C ATOM 208 O ASN B 21 -29.190 24.694 9.419 1.00 29.57 O ATOM 209 CB ASN B 21 -32.485 23.898 8.626 1.00 29.00 C ATOM 210 CG ASN B 21 -32.714 24.255 10.068 1.00 30.60 C ATOM 211 OD1 ASN B 21 -32.107 25.193 10.583 1.00 30.84 O ATOM 212 ND2 ASN B 21 -33.574 23.495 10.737 1.00 30.76 N ATOM 213 HD22 ASN B 21 -34.062 22.713 10.255 1.00 0.00 H ATOM 214 HD21 ASN B 21 -33.760 23.682 11.743 1.00 0.00 H ATOM 215 H ASN B 21 -30.211 22.482 9.996 1.00 0.00 H ATOM 216 N LEU B 22 -30.325 25.824 7.810 1.00 26.98 N ATOM 217 CA LEU B 22 -29.627 27.095 7.952 1.00 25.50 C ATOM 218 C LEU B 22 -30.685 28.190 7.953 1.00 25.55 C ATOM 219 O LEU B 22 -31.649 28.121 7.186 1.00 23.90 O ATOM 220 CB LEU B 22 -28.650 27.332 6.787 1.00 24.72 C ATOM 221 CG LEU B 22 -27.569 26.295 6.496 1.00 24.55 C ATOM 222 CD1 LEU B 22 -26.798 26.662 5.238 1.00 24.03 C ATOM 223 CD2 LEU B 22 -26.606 26.117 7.664 1.00 24.87 C ATOM 224 H LEU B 22 -31.041 25.740 7.060 1.00 0.00 H ATOM 225 N ARG B 23 -30.505 29.188 8.816 1.00 27.52 N ATOM 226 CA ARG B 23 -31.409 30.341 8.901 1.00 29.86 C ATOM 227 C ARG B 23 -30.617 31.615 8.824 1.00 29.08 C ATOM 228 O ARG B 23 -29.482 31.638 9.270 1.00 26.92 O ATOM 229 CB ARG B 23 -32.146 30.381 10.244 1.00 33.26 C ATOM 230 CG ARG B 23 -33.155 29.278 10.471 1.00 36.99 C ATOM 231 CD ARG B 23 -33.578 29.212 11.944 1.00 39.45 C ATOM 232 NE ARG B 23 -34.801 28.424 12.047 1.00 44.49 N ATOM 233 CZ ARG B 23 -34.870 27.106 12.248 1.00 48.90 C ATOM 234 NH1 ARG B 23 -33.774 26.369 12.432 1.00 50.97 N ATOM 235 NH2 ARG B 23 -36.064 26.512 12.287 1.00 52.27 N ATOM 236 HE ARG B 23 -35.702 28.936 11.955 1.00 0.00 H ATOM 237 HH12 ARG B 23 -33.857 25.344 12.587 1.00 0.00 H ATOM 238 HH11 ARG B 23 -32.837 26.819 12.421 1.00 0.00 H ATOM 239 HH22 ARG B 23 -36.129 25.486 12.443 1.00 0.00 H ATOM 240 HH21 ARG B 23 -36.929 27.075 12.161 1.00 0.00 H ATOM 241 H ARG B 23 -29.688 29.149 9.458 1.00 0.00 H ATOM 242 N ASP B 24 -31.236 32.687 8.317 1.00 31.58 N ATOM 243 CA ASP B 24 -30.682 34.036 8.482 1.00 32.30 C ATOM 244 C ASP B 24 -30.760 34.341 9.966 1.00 32.14 C ATOM 245 O ASP B 24 -31.806 34.186 10.576 1.00 31.48 O ATOM 246 CB ASP B 24 -31.475 35.070 7.670 1.00 34.44 C ATOM 247 CG ASP B 24 -30.891 36.485 7.753 1.00 38.15 C ATOM 248 OD1 ASP B 24 -29.939 36.749 8.517 1.00 39.55 O ATOM 249 OD2 ASP B 24 -31.413 37.369 7.043 1.00 47.45 O ATOM 250 H ASP B 24 -32.127 32.562 7.796 1.00 0.00 H ATOM 251 N ALA B 25 -29.650 34.754 10.554 1.00 32.98 N ATOM 252 CA ALA B 25 -29.618 34.995 11.992 1.00 36.91 C ATOM 253 C ALA B 25 -30.448 36.233 12.383 1.00 41.04 C ATOM 254 O ALA B 25 -31.146 36.210 13.397 1.00 43.50 O ATOM 255 CB ALA B 25 -28.178 35.123 12.481 1.00 35.99 C ATOM 256 H ALA B 25 -28.792 34.908 9.986 1.00 0.00 H ATOM 257 N GLU B 26 -30.390 37.298 11.578 1.00 43.24 N ATOM 258 CA GLU B 26 -31.127 38.517 11.885 1.00 43.38 C ATOM 259 C GLU B 26 -32.639 38.247 11.900 1.00 43.97 C ATOM 260 O GLU B 26 -33.319 38.576 12.871 1.00 45.22 O ATOM 261 CB GLU B 26 -30.775 39.623 10.899 1.00 43.15 C ATOM 262 H GLU B 26 -29.808 37.256 10.717 1.00 0.00 H ATOM 263 N THR B 27 -33.141 37.592 10.854 1.00 44.46 N ATOM 264 CA THR B 27 -34.586 37.435 10.631 1.00 40.87 C ATOM 265 C THR B 27 -35.203 36.065 10.967 1.00 39.80 C ATOM 266 O THR B 27 -36.434 35.929 10.926 1.00 40.75 O ATOM 267 CB THR B 27 -34.926 37.698 9.154 1.00 41.56 C ATOM 268 OG1 THR B 27 -34.538 36.563 8.365 1.00 43.12 O ATOM 269 CG2 THR B 27 -34.206 38.954 8.644 1.00 43.55 C ATOM 270 HG1 THR B 27 -34.757 36.733 7.415 1.00 0.00 H ATOM 271 H THR B 27 -32.483 37.174 10.166 1.00 0.00 H ATOM 272 N GLY B 28 -34.384 35.042 11.237 1.00 37.32 N ATOM 273 CA GLY B 28 -34.906 33.678 11.511 1.00 35.27 C ATOM 274 C GLY B 28 -35.482 32.889 10.328 1.00 36.83 C ATOM 275 O GLY B 28 -35.934 31.757 10.498 1.00 35.28 O ATOM 276 H GLY B 28 -33.357 35.205 11.256 1.00 0.00 H ATOM 277 N LYS B 29 -35.483 33.471 9.129 1.00 38.49 N ATOM 278 CA LYS B 29 -36.042 32.795 7.953 1.00 40.61 C ATOM 279 C LYS B 29 -35.197 31.586 7.531 1.00 36.86 C ATOM 280 O LYS B 29 -33.980 31.640 7.546 1.00 35.52 O ATOM 281 CB LYS B 29 -36.146 33.776 6.782 1.00 44.07 C ATOM 282 CG LYS B 29 -37.147 34.903 7.011 1.00 50.20 C ATOM 283 CD LYS B 29 -38.595 34.471 6.761 1.00 50.60 C ATOM 284 CE LYS B 29 -39.597 35.436 7.403 1.00 52.57 C ATOM 285 NZ LYS B 29 -39.358 36.875 7.069 1.00 53.16 N ATOM 286 HZ1 LYS B 29 -38.411 37.153 7.397 1.00 0.00 H ATOM 287 HZ2 LYS B 29 -39.422 37.006 6.039 1.00 0.00 H ATOM 288 HZ3 LYS B 29 -40.075 37.463 7.540 1.00 0.00 H ATOM 289 H LYS B 29 -35.079 34.424 9.025 1.00 0.00 H ATOM 290 N ILE B 30 -35.850 30.498 7.153 1.00 37.24 N ATOM 291 CA ILE B 30 -35.148 29.326 6.628 1.00 39.71 C ATOM 292 C ILE B 30 -34.574 29.605 5.233 1.00 36.72 C ATOM 293 O ILE B 30 -35.320 29.974 4.315 1.00 36.46 O ATOM 294 CB ILE B 30 -36.060 28.080 6.583 1.00 40.18 C ATOM 295 CG1 ILE B 30 -36.344 27.605 8.018 1.00 44.58 C ATOM 296 CG2 ILE B 30 -35.395 26.970 5.780 1.00 43.44 C ATOM 297 CD1 ILE B 30 -37.576 26.718 8.176 1.00 48.30 C ATOM 298 H ILE B 30 -36.887 30.476 7.231 1.00 0.00 H ATOM 299 N LEU B 31 -33.254 29.427 5.105 1.00 32.72 N ATOM 300 CA LEU B 31 -32.532 29.527 3.828 1.00 30.43 C ATOM 301 C LEU B 31 -32.347 28.176 3.160 1.00 28.77 C ATOM 302 O LEU B 31 -32.414 28.080 1.940 1.00 31.37 O ATOM 303 CB LEU B 31 -31.153 30.136 4.050 1.00 30.59 C ATOM 304 CG LEU B 31 -31.130 31.584 4.538 1.00 33.37 C ATOM 305 CD1 LEU B 31 -29.847 31.867 5.289 1.00 33.47 C ATOM 306 CD2 LEU B 31 -31.304 32.550 3.380 1.00 33.84 C ATOM 307 H LEU B 31 -32.706 29.205 5.960 1.00 0.00 H ATOM 308 N TRP B 32 -32.068 27.145 3.955 1.00 26.35 N ATOM 309 CA TRP B 32 -31.823 25.801 3.438 1.00 25.50 C ATOM 310 C TRP B 32 -32.191 24.743 4.489 1.00 25.32 C ATOM 311 O TRP B 32 -32.050 24.955 5.681 1.00 22.46 O ATOM 312 CB TRP B 32 -30.335 25.675 3.049 1.00 25.17 C ATOM 313 CG TRP B 32 -29.945 24.389 2.434 1.00 24.19 C ATOM 314 CD1 TRP B 32 -29.935 24.087 1.104 1.00 24.25 C ATOM 315 CD2 TRP B 32 -29.489 23.225 3.115 1.00 23.88 C ATOM 316 NE1 TRP B 32 -29.503 22.797 0.912 1.00 24.14 N ATOM 317 CE2 TRP B 32 -29.222 22.246 2.135 1.00 24.30 C ATOM 318 CE3 TRP B 32 -29.289 22.907 4.463 1.00 24.73 C ATOM 319 CZ2 TRP B 32 -28.776 20.970 2.461 1.00 25.13 C ATOM 320 CZ3 TRP B 32 -28.843 21.642 4.786 1.00 24.90 C ATOM 321 CH2 TRP B 32 -28.601 20.686 3.793 1.00 26.20 C ATOM 322 HE1 TRP B 32 -29.406 22.319 -0.007 1.00 0.00 H ATOM 323 H TRP B 32 -32.023 27.302 4.982 1.00 0.00 H ATOM 324 N GLN B 33 -32.696 23.613 4.043 1.00 27.78 N ATOM 325 CA GLN B 33 -32.847 22.482 4.930 1.00 31.53 C ATOM 326 C GLN B 33 -32.714 21.205 4.148 1.00 30.79 C ATOM 327 O GLN B 33 -33.114 21.162 2.991 1.00 33.74 O ATOM 328 CB GLN B 33 -34.177 22.529 5.686 1.00 34.71 C ATOM 329 CG GLN B 33 -35.398 22.780 4.844 1.00 39.34 C ATOM 330 CD GLN B 33 -36.679 22.889 5.681 1.00 45.52 C ATOM 331 OE1 GLN B 33 -36.661 22.812 6.921 1.00 47.72 O ATOM 332 NE2 GLN B 33 -37.799 23.059 5.000 1.00 45.50 N ATOM 333 HE22 GLN B 33 -37.773 23.119 3.962 1.00 0.00 H ATOM 334 HE21 GLN B 33 -38.707 23.133 5.502 1.00 0.00 H ATOM 335 H GLN B 33 -32.988 23.533 3.048 1.00 0.00 H ATOM 336 N GLY B 34 -32.144 20.177 4.774 1.00 29.61 N ATOM 337 CA GLY B 34 -31.956 18.888 4.118 1.00 28.94 C ATOM 338 C GLY B 34 -31.865 17.732 5.101 1.00 29.12 C ATOM 339 O GLY B 34 -31.632 17.939 6.301 1.00 27.48 O ATOM 340 H GLY B 34 -31.825 20.296 5.756 1.00 0.00 H ATOM 341 N THR B 35 -32.055 16.520 4.575 1.00 29.57 N ATOM 342 CA THR B 35 -31.941 15.273 5.348 1.00 31.61 C ATOM 343 C THR B 35 -30.889 14.304 4.786 1.00 29.89 C ATOM 344 O THR B 35 -30.871 13.145 5.171 1.00 30.59 O ATOM 345 CB THR B 35 -33.293 14.540 5.438 1.00 32.93 C ATOM 346 OG1 THR B 35 -33.745 14.209 4.120 1.00 34.53 O ATOM 347 CG2 THR B 35 -34.342 15.416 6.123 1.00 32.79 C ATOM 348 HG1 THR B 35 -34.614 13.738 4.179 1.00 0.00 H ATOM 349 H THR B 35 -32.296 16.453 3.566 1.00 0.00 H ATOM 350 N GLU B 36 -30.023 14.782 3.892 1.00 29.82 N ATOM 351 CA GLU B 36 -28.875 14.009 3.419 1.00 31.80 C ATOM 352 C GLU B 36 -27.780 14.040 4.505 1.00 31.47 C ATOM 353 O GLU B 36 -27.433 15.109 5.046 1.00 29.14 O ATOM 354 CB GLU B 36 -28.325 14.577 2.088 1.00 36.74 C ATOM 355 CG GLU B 36 -27.307 13.656 1.380 1.00 43.53 C ATOM 356 CD GLU B 36 -26.685 14.220 0.089 1.00 46.97 C ATOM 357 OE1 GLU B 36 -27.418 14.911 -0.668 1.00 49.47 O ATOM 358 OE2 GLU B 36 -25.462 13.959 -0.174 1.00 42.06 O ATOM 359 H GLU B 36 -30.169 15.741 3.517 1.00 0.00 H ATOM 360 N ASP B 37 -27.226 12.873 4.815 1.00 28.83 N ATOM 361 CA ASP B 37 -26.111 12.785 5.739 1.00 27.98 C ATOM 362 C ASP B 37 -24.845 13.273 5.032 1.00 27.87 C ATOM 363 O ASP B 37 -24.192 12.539 4.307 1.00 28.25 O ATOM 364 CB ASP B 37 -25.955 11.351 6.235 1.00 27.57 C ATOM 365 CG ASP B 37 -25.008 11.233 7.401 1.00 27.64 C ATOM 366 OD1 ASP B 37 -24.164 12.146 7.608 1.00 26.45 O ATOM 367 OD2 ASP B 37 -25.118 10.209 8.114 1.00 28.34 O ATOM 368 H ASP B 37 -27.600 12.003 4.386 1.00 0.00 H ATOM 369 N LEU B 38 -24.523 14.540 5.251 1.00 29.94 N ATOM 370 CA LEU B 38 -23.339 15.172 4.681 1.00 29.20 C ATOM 371 C LEU B 38 -22.062 14.853 5.439 1.00 27.23 C ATOM 372 O LEU B 38 -20.994 15.290 5.031 1.00 30.11 O ATOM 373 CB LEU B 38 -23.546 16.681 4.654 1.00 30.68 C ATOM 374 CG LEU B 38 -24.733 17.139 3.793 1.00 30.80 C ATOM 375 CD1 LEU B 38 -24.840 18.646 3.896 1.00 31.58 C ATOM 376 CD2 LEU B 38 -24.576 16.724 2.337 1.00 30.35 C ATOM 377 H LEU B 38 -25.145 15.111 5.859 1.00 0.00 H ATOM 378 N SER B 39 -22.160 14.086 6.526 1.00 24.34 N ATOM 379 CA SER B 39 -20.979 13.622 7.250 1.00 23.76 C ATOM 380 C SER B 39 -20.317 12.376 6.609 1.00 23.18 C ATOM 381 O SER B 39 -19.211 11.973 6.992 1.00 24.24 O ATOM 382 CB SER B 39 -21.351 13.297 8.710 1.00 24.05 C ATOM 383 OG SER B 39 -22.141 12.101 8.802 1.00 24.84 O ATOM 384 HG SER B 39 -22.977 12.219 8.285 1.00 0.00 H ATOM 385 H SER B 39 -23.103 13.811 6.867 1.00 0.00 H ATOM 386 N VAL B 40 -20.983 11.746 5.656 1.00 21.69 N ATOM 387 CA VAL B 40 -20.465 10.496 5.105 1.00 21.07 C ATOM 388 C VAL B 40 -19.152 10.754 4.400 1.00 20.15 C ATOM 389 O VAL B 40 -19.092 11.573 3.502 1.00 20.60 O ATOM 390 CB VAL B 40 -21.481 9.820 4.171 1.00 20.90 C ATOM 391 CG1 VAL B 40 -20.906 8.542 3.574 1.00 20.64 C ATOM 392 CG2 VAL B 40 -22.749 9.511 4.957 1.00 20.72 C ATOM 393 H VAL B 40 -21.876 12.141 5.298 1.00 0.00 H ATOM 394 N PRO B 41 -18.077 10.084 4.832 1.00 20.34 N ATOM 395 CA PRO B 41 -16.808 10.379 4.174 1.00 20.63 C ATOM 396 C PRO B 41 -16.634 9.693 2.828 1.00 21.80 C ATOM 397 O PRO B 41 -17.361 8.751 2.510 1.00 21.47 O ATOM 398 CB PRO B 41 -15.770 9.880 5.170 1.00 19.77 C ATOM 399 CG PRO B 41 -16.446 8.831 5.939 1.00 20.14 C ATOM 400 CD PRO B 41 -17.912 9.158 5.966 1.00 20.39 C ATOM 401 N GLY B 42 -15.680 10.198 2.040 1.00 23.26 N ATOM 402 CA GLY B 42 -15.183 9.492 0.861 1.00 24.70 C ATOM 403 C GLY B 42 -16.006 9.640 -0.407 1.00 27.03 C ATOM 404 O GLY B 42 -15.680 9.025 -1.438 1.00 30.21 O ATOM 405 H GLY B 42 -15.277 11.127 2.274 1.00 0.00 H ATOM 406 N VAL B 43 -17.073 10.429 -0.329 1.00 28.46 N ATOM 407 CA VAL B 43 -17.881 10.784 -1.484 1.00 29.98 C ATOM 408 C VAL B 43 -18.075 12.294 -1.472 1.00 30.13 C ATOM 409 O VAL B 43 -18.088 12.907 -0.407 1.00 30.87 O ATOM 410 CB VAL B 43 -19.233 10.036 -1.502 1.00 32.10 C ATOM 411 CG1 VAL B 43 -19.001 8.520 -1.439 1.00 34.66 C ATOM 412 CG2 VAL B 43 -20.147 10.477 -0.371 1.00 31.57 C ATOM 413 H VAL B 43 -17.342 10.810 0.601 1.00 0.00 H ATOM 414 N GLU B 44 -18.185 12.900 -2.653 1.00 29.47 N ATOM 415 CA GLU B 44 -18.418 14.338 -2.745 1.00 28.55 C ATOM 416 C GLU B 44 -19.916 14.590 -2.747 1.00 25.69 C ATOM 417 O GLU B 44 -20.618 14.182 -3.662 1.00 25.79 O ATOM 418 CB GLU B 44 -17.767 14.944 -3.996 1.00 29.94 C ATOM 419 CG GLU B 44 -17.876 16.476 -4.073 1.00 31.78 C ATOM 420 CD GLU B 44 -17.128 17.063 -5.272 1.00 32.74 C ATOM 421 OE1 GLU B 44 -17.779 17.334 -6.306 1.00 35.24 O ATOM 422 OE2 GLU B 44 -15.892 17.243 -5.190 1.00 31.77 O ATOM 423 H GLU B 44 -18.103 12.339 -3.525 1.00 0.00 H ATOM 424 N HIS B 45 -20.393 15.270 -1.714 1.00 22.58 N ATOM 425 CA HIS B 45 -21.781 15.611 -1.599 1.00 20.21 C ATOM 426 C HIS B 45 -21.974 16.915 -2.338 1.00 20.37 C ATOM 427 O HIS B 45 -21.014 17.604 -2.621 1.00 20.31 O ATOM 428 CB HIS B 45 -22.148 15.803 -0.122 1.00 19.86 C ATOM 429 CG HIS B 45 -21.838 14.620 0.749 1.00 19.62 C ATOM 430 ND1 HIS B 45 -22.696 13.554 0.890 1.00 19.56 N ATOM 431 CD2 HIS B 45 -20.772 14.349 1.540 1.00 20.12 C ATOM 432 CE1 HIS B 45 -22.167 12.670 1.714 1.00 19.94 C ATOM 433 NE2 HIS B 45 -20.996 13.127 2.123 1.00 20.22 N ATOM 434 H HIS B 45 -19.739 15.566 -0.962 1.00 0.00 H ATOM 435 N GLU B 46 -23.224 17.271 -2.598 1.00 21.45 N ATOM 436 CA GLU B 46 -23.583 18.530 -3.221 1.00 23.58 C ATOM 437 C GLU B 46 -24.737 19.112 -2.469 1.00 23.25 C ATOM 438 O GLU B 46 -25.560 18.372 -1.963 1.00 23.79 O ATOM 439 CB GLU B 46 -24.045 18.324 -4.656 1.00 24.93 C ATOM 440 CG GLU B 46 -22.921 17.912 -5.591 1.00 27.11 C ATOM 441 CD GLU B 46 -23.406 17.502 -6.978 1.00 29.71 C ATOM 442 OE1 GLU B 46 -24.648 17.465 -7.199 1.00 33.25 O ATOM 443 OE2 GLU B 46 -22.536 17.202 -7.840 1.00 32.58 O ATOM 444 H GLU B 46 -23.987 16.613 -2.342 1.00 0.00 H ATOM 445 N ALA B 47 -24.782 20.437 -2.407 1.00 22.50 N ATOM 446 CA ALA B 47 -25.917 21.156 -1.873 1.00 22.65 C ATOM 447 C ALA B 47 -26.119 22.434 -2.657 1.00 22.36 C ATOM 448 O ALA B 47 -25.166 23.084 -3.074 1.00 20.77 O ATOM 449 CB ALA B 47 -25.689 21.493 -0.403 1.00 22.12 C ATOM 450 H ALA B 47 -23.967 20.980 -2.757 1.00 0.00 H ATOM 451 N ARG B 48 -27.369 22.814 -2.803 1.00 24.93 N ATOM 452 CA ARG B 48 -27.715 24.058 -3.461 1.00 27.49 C ATOM 453 C ARG B 48 -28.269 25.017 -2.438 1.00 26.27 C ATOM 454 O ARG B 48 -29.304 24.746 -1.858 1.00 24.16 O ATOM 455 CB ARG B 48 -28.757 23.788 -4.534 1.00 29.92 C ATOM 456 CG ARG B 48 -28.334 22.680 -5.473 1.00 32.40 C ATOM 457 CD ARG B 48 -29.481 22.198 -6.319 1.00 35.13 C ATOM 458 NE ARG B 48 -29.082 21.014 -7.062 1.00 41.14 N ATOM 459 CZ ARG B 48 -29.894 20.324 -7.864 1.00 45.21 C ATOM 460 NH1 ARG B 48 -31.164 20.708 -8.006 1.00 42.70 N ATOM 461 NH2 ARG B 48 -29.436 19.248 -8.521 1.00 43.70 N ATOM 462 HE ARG B 48 -28.101 20.684 -6.962 1.00 0.00 H ATOM 463 HH12 ARG B 48 -31.802 20.174 -8.630 1.00 0.00 H ATOM 464 HH11 ARG B 48 -31.516 21.541 -7.493 1.00 0.00 H ATOM 465 HH22 ARG B 48 -30.071 18.711 -9.146 1.00 0.00 H ATOM 466 HH21 ARG B 48 -28.446 18.951 -8.405 1.00 0.00 H ATOM 467 H ARG B 48 -28.129 22.206 -2.437 1.00 0.00 H ATOM 468 N VAL B 49 -27.573 26.129 -2.216 1.00 27.02 N ATOM 469 CA VAL B 49 -28.040 27.150 -1.286 1.00 27.87 C ATOM 470 C VAL B 49 -28.441 28.399 -2.062 1.00 27.74 C ATOM 471 O VAL B 49 -27.987 28.575 -3.177 1.00 27.61 O ATOM 472 CB VAL B 49 -26.982 27.471 -0.214 1.00 29.22 C ATOM 473 CG1 VAL B 49 -26.557 26.192 0.484 1.00 30.36 C ATOM 474 CG2 VAL B 49 -25.761 28.146 -0.815 1.00 30.52 C ATOM 475 H VAL B 49 -26.674 26.273 -2.718 1.00 0.00 H ATOM 476 N PRO B 50 -29.310 29.254 -1.484 1.00 28.51 N ATOM 477 CA PRO B 50 -29.715 30.480 -2.176 1.00 29.31 C ATOM 478 C PRO B 50 -28.636 31.557 -2.164 1.00 28.50 C ATOM 479 O PRO B 50 -27.941 31.721 -1.165 1.00 26.61 O ATOM 480 CB PRO B 50 -30.957 30.966 -1.381 1.00 30.46 C ATOM 481 CG PRO B 50 -31.260 29.898 -0.396 1.00 31.95 C ATOM 482 CD PRO B 50 -30.012 29.100 -0.198 1.00 29.88 C ATOM 483 N LYS B 51 -28.516 32.270 -3.279 1.00 29.22 N ATOM 484 CA LYS B 51 -27.627 33.423 -3.427 1.00 30.12 C ATOM 485 C LYS B 51 -27.692 34.327 -2.212 1.00 29.66 C ATOM 486 O LYS B 51 -26.660 34.762 -1.715 1.00 31.35 O ATOM 487 CB LYS B 51 -28.057 34.251 -4.657 1.00 33.48 C ATOM 488 CG LYS B 51 -27.904 33.496 -5.954 1.00 38.14 C ATOM 489 CD LYS B 51 -28.367 34.232 -7.198 1.00 40.58 C ATOM 490 CE LYS B 51 -28.155 33.279 -8.381 1.00 47.57 C ATOM 491 NZ LYS B 51 -28.829 33.661 -9.658 1.00 51.58 N ATOM 492 HZ1 LYS B 51 -29.857 33.709 -9.505 1.00 0.00 H ATOM 493 HZ2 LYS B 51 -28.480 34.590 -9.968 1.00 0.00 H ATOM 494 HZ3 LYS B 51 -28.618 32.949 -10.386 1.00 0.00 H ATOM 495 H LYS B 51 -29.091 31.991 -4.099 1.00 0.00 H ATOM 496 N LYS B 52 -28.922 34.632 -1.789 1.00 27.84 N ATOM 497 CA LYS B 52 -29.238 35.403 -0.585 1.00 27.77 C ATOM 498 C LYS B 52 -28.284 35.198 0.583 1.00 28.24 C ATOM 499 O LYS B 52 -27.941 36.147 1.294 1.00 27.82 O ATOM 500 CB LYS B 52 -30.632 35.015 -0.096 1.00 27.25 C ATOM 501 CG LYS B 52 -31.734 35.988 -0.437 1.00 27.61 C ATOM 502 CD LYS B 52 -33.030 35.485 0.178 1.00 27.88 C ATOM 503 CE LYS B 52 -33.404 34.146 -0.433 1.00 27.83 C ATOM 504 NZ LYS B 52 -33.969 33.208 0.568 1.00 27.77 N ATOM 505 HZ1 LYS B 52 -33.267 33.036 1.316 1.00 0.00 H ATOM 506 HZ2 LYS B 52 -34.827 33.623 0.985 1.00 0.00 H ATOM 507 HZ3 LYS B 52 -34.208 32.309 0.103 1.00 0.00 H ATOM 508 H LYS B 52 -29.721 34.294 -2.362 1.00 0.00 H ATOM 509 N ILE B 53 -27.878 33.948 0.803 1.00 27.84 N ATOM 510 CA ILE B 53 -27.043 33.594 1.955 1.00 26.99 C ATOM 511 C ILE B 53 -25.771 34.398 1.993 1.00 26.89 C ATOM 512 O ILE B 53 -25.268 34.718 3.069 1.00 29.61 O ATOM 513 CB ILE B 53 -26.719 32.068 2.007 1.00 27.23 C ATOM 514 CG1 ILE B 53 -26.133 31.681 3.370 1.00 26.86 C ATOM 515 CG2 ILE B 53 -25.768 31.636 0.902 1.00 27.11 C ATOM 516 CD1 ILE B 53 -26.309 30.213 3.682 1.00 26.48 C ATOM 517 H ILE B 53 -28.162 33.201 0.137 1.00 0.00 H ATOM 518 N LEU B 54 -25.258 34.757 0.824 1.00 26.99 N ATOM 519 CA LEU B 54 -24.014 35.517 0.761 1.00 27.69 C ATOM 520 C LEU B 54 -24.194 36.941 1.299 1.00 27.88 C ATOM 521 O LEU B 54 -23.221 37.579 1.700 1.00 25.18 O ATOM 522 CB LEU B 54 -23.467 35.539 -0.668 1.00 27.13 C ATOM 523 CG LEU B 54 -23.002 34.179 -1.178 1.00 28.72 C ATOM 524 CD1 LEU B 54 -22.740 34.213 -2.684 1.00 29.43 C ATOM 525 CD2 LEU B 54 -21.770 33.700 -0.412 1.00 29.39 C ATOM 526 H LEU B 54 -25.747 34.495 -0.056 1.00 0.00 H ATOM 527 N LYS B 55 -25.441 37.406 1.324 1.00 30.59 N ATOM 528 CA LYS B 55 -25.779 38.710 1.872 1.00 34.60 C ATOM 529 C LYS B 55 -26.036 38.680 3.384 1.00 34.86 C ATOM 530 O LYS B 55 -26.100 39.724 3.977 1.00 35.55 O ATOM 531 CB LYS B 55 -27.014 39.272 1.167 1.00 38.60 C ATOM 532 CG LYS B 55 -26.858 39.490 -0.327 1.00 43.82 C ATOM 533 CD LYS B 55 -26.126 40.788 -0.638 1.00 52.37 C ATOM 534 CE LYS B 55 -26.167 41.124 -2.132 1.00 59.33 C ATOM 535 NZ LYS B 55 -26.231 42.597 -2.375 1.00 63.04 N ATOM 536 HZ1 LYS B 55 -27.089 42.983 -1.932 1.00 0.00 H ATOM 537 HZ2 LYS B 55 -25.391 43.052 -1.963 1.00 0.00 H ATOM 538 HZ3 LYS B 55 -26.257 42.777 -3.399 1.00 0.00 H ATOM 539 H LYS B 55 -26.203 36.814 0.937 1.00 0.00 H ATOM 540 N CYS B 56 -26.210 37.508 4.002 1.00 36.65 N ATOM 541 CA CYS B 56 -26.390 37.432 5.461 1.00 36.34 C ATOM 542 C CYS B 56 -25.105 37.728 6.197 1.00 37.42 C ATOM 543 O CYS B 56 -24.100 37.062 5.973 1.00 39.97 O ATOM 544 CB CYS B 56 -26.843 36.046 5.899 1.00 34.36 C ATOM 545 SG CYS B 56 -28.379 35.549 5.129 1.00 36.04 S ATOM 546 H CYS B 56 -26.218 36.632 3.441 1.00 0.00 H ATOM 547 N LYS B 57 -25.146 38.707 7.092 1.00 39.24 N ATOM 548 CA LYS B 57 -24.048 38.935 8.035 1.00 41.85 C ATOM 549 C LYS B 57 -23.800 37.662 8.898 1.00 39.82 C ATOM 550 O LYS B 57 -22.656 37.314 9.228 1.00 40.30 O ATOM 551 CB LYS B 57 -24.383 40.131 8.922 1.00 46.65 C ATOM 552 CG LYS B 57 -23.214 40.673 9.731 1.00 55.50 C ATOM 553 CD LYS B 57 -23.634 41.001 11.164 1.00 61.35 C ATOM 554 CE LYS B 57 -22.592 41.849 11.883 1.00 64.81 C ATOM 555 NZ LYS B 57 -22.572 43.249 11.365 1.00 65.66 N ATOM 556 HZ1 LYS B 57 -22.345 43.239 10.350 1.00 0.00 H ATOM 557 HZ2 LYS B 57 -23.506 43.684 11.508 1.00 0.00 H ATOM 558 HZ3 LYS B 57 -21.851 43.797 11.877 1.00 0.00 H ATOM 559 H LYS B 57 -25.979 39.329 7.125 1.00 0.00 H ATOM 560 N ALA B 58 -24.875 36.952 9.231 1.00 35.46 N ATOM 561 CA ALA B 58 -24.756 35.759 10.045 1.00 32.62 C ATOM 562 C ALA B 58 -25.847 34.726 9.756 1.00 31.08 C ATOM 563 O ALA B 58 -27.013 35.053 9.470 1.00 32.02 O ATOM 564 CB ALA B 58 -24.741 36.129 11.524 1.00 32.65 C ATOM 565 H ALA B 58 -25.813 37.257 8.903 1.00 0.00 H ATOM 566 N VAL B 59 -25.438 33.469 9.835 1.00 28.50 N ATOM 567 CA VAL B 59 -26.282 32.348 9.516 1.00 28.30 C ATOM 568 C VAL B 59 -26.339 31.450 10.751 1.00 28.77 C ATOM 569 O VAL B 59 -25.312 31.163 11.381 1.00 29.43 O ATOM 570 CB VAL B 59 -25.681 31.585 8.323 1.00 29.67 C ATOM 571 CG1 VAL B 59 -26.482 30.336 8.005 1.00 31.61 C ATOM 572 CG2 VAL B 59 -25.594 32.503 7.111 1.00 29.57 C ATOM 573 H VAL B 59 -24.462 33.283 10.142 1.00 0.00 H ATOM 574 N SER B 60 -27.533 31.027 11.125 1.00 26.72 N ATOM 575 CA SER B 60 -27.661 30.115 12.247 1.00 27.70 C ATOM 576 C SER B 60 -27.893 28.724 11.679 1.00 26.09 C ATOM 577 O SER B 60 -28.784 28.539 10.854 1.00 22.99 O ATOM 578 CB SER B 60 -28.833 30.529 13.160 1.00 28.91 C ATOM 579 OG SER B 60 -29.242 29.458 13.989 1.00 30.21 O ATOM 580 HG SER B 60 -29.534 28.699 13.425 1.00 0.00 H ATOM 581 H SER B 60 -28.381 31.347 10.616 1.00 0.00 H ATOM 582 N ARG B 61 -27.084 27.762 12.131 1.00 25.05 N ATOM 583 CA ARG B 61 -27.190 26.389 11.699 1.00 24.17 C ATOM 584 C ARG B 61 -27.703 25.495 12.823 1.00 25.41 C ATOM 585 O ARG B 61 -27.144 25.461 13.923 1.00 24.19 O ATOM 586 CB ARG B 61 -25.824 25.879 11.247 1.00 23.24 C ATOM 587 CG ARG B 61 -25.806 24.405 10.829 1.00 22.20 C ATOM 588 CD ARG B 61 -24.449 24.047 10.271 1.00 22.14 C ATOM 589 NE ARG B 61 -23.431 23.967 11.309 1.00 21.67 N ATOM 590 CZ ARG B 61 -22.120 24.084 11.109 1.00 22.92 C ATOM 591 NH1 ARG B 61 -21.621 24.320 9.898 1.00 21.77 N ATOM 592 NH2 ARG B 61 -21.290 23.963 12.139 1.00 23.72 N ATOM 593 HE ARG B 61 -23.754 23.806 12.284 1.00 0.00 H ATOM 594 HH12 ARG B 61 -20.593 24.407 9.767 1.00 0.00 H ATOM 595 HH11 ARG B 61 -22.259 24.417 9.083 1.00 0.00 H ATOM 596 HH22 ARG B 61 -20.264 24.053 11.993 1.00 0.00 H ATOM 597 HH21 ARG B 61 -21.666 23.779 13.091 1.00 0.00 H ATOM 598 H ARG B 61 -26.348 28.012 12.822 1.00 0.00 H ATOM 599 N GLU B 62 -28.732 24.734 12.516 1.00 25.88 N ATOM 600 CA GLU B 62 -29.221 23.727 13.410 1.00 29.46 C ATOM 601 C GLU B 62 -28.891 22.387 12.792 1.00 28.93 C ATOM 602 O GLU B 62 -29.297 22.101 11.682 1.00 29.11 O ATOM 603 CB GLU B 62 -30.729 23.813 13.514 1.00 34.47 C ATOM 604 CG GLU B 62 -31.305 24.709 14.580 1.00 38.97 C ATOM 605 CD GLU B 62 -32.694 24.225 14.945 1.00 43.66 C ATOM 606 OE1 GLU B 62 -33.504 24.016 14.009 1.00 42.42 O ATOM 607 OE2 GLU B 62 -32.947 23.999 16.154 1.00 50.30 O ATOM 608 H GLU B 62 -29.203 24.867 11.599 1.00 0.00 H ATOM 609 N LEU B 63 -28.241 21.532 13.546 1.00 28.80 N ATOM 610 CA LEU B 63 -27.755 20.270 13.029 1.00 29.33 C ATOM 611 C LEU B 63 -28.207 19.142 13.961 1.00 28.06 C ATOM 612 O LEU B 63 -27.915 19.179 15.148 1.00 33.45 O ATOM 613 CB LEU B 63 -26.252 20.412 12.980 1.00 29.99 C ATOM 614 CG LEU B 63 -25.373 19.329 12.426 1.00 33.69 C ATOM 615 CD1 LEU B 63 -24.011 19.937 12.135 1.00 34.54 C ATOM 616 CD2 LEU B 63 -25.268 18.185 13.419 1.00 35.54 C ATOM 617 H LEU B 63 -28.070 21.768 14.544 1.00 0.00 H ATOM 618 N ASN B 64 -28.921 18.151 13.448 1.00 25.04 N ATOM 619 CA ASN B 64 -29.390 17.042 14.281 1.00 24.02 C ATOM 620 C ASN B 64 -28.660 15.714 14.024 1.00 23.27 C ATOM 621 O ASN B 64 -28.598 15.268 12.897 1.00 22.95 O ATOM 622 CB ASN B 64 -30.875 16.852 14.067 1.00 24.92 C ATOM 623 CG ASN B 64 -31.467 15.808 14.983 1.00 25.09 C ATOM 624 OD1 ASN B 64 -31.584 14.652 14.608 1.00 26.65 O ATOM 625 ND2 ASN B 64 -31.862 16.218 16.181 1.00 25.15 N ATOM 626 HD22 ASN B 64 -31.741 17.214 16.456 1.00 0.00 H ATOM 627 HD21 ASN B 64 -32.292 15.544 16.846 1.00 0.00 H ATOM 628 H ASN B 64 -29.153 18.161 12.434 1.00 0.00 H ATOM 629 N PHE B 65 -28.114 15.091 15.076 1.00 21.29 N ATOM 630 CA PHE B 65 -27.336 13.876 14.932 1.00 20.48 C ATOM 631 C PHE B 65 -27.606 12.875 16.023 1.00 20.74 C ATOM 632 O PHE B 65 -28.000 13.244 17.153 1.00 19.93 O ATOM 633 CB PHE B 65 -25.831 14.174 14.931 1.00 20.42 C ATOM 634 CG PHE B 65 -25.308 14.692 16.235 1.00 19.58 C ATOM 635 CD1 PHE B 65 -25.392 16.048 16.549 1.00 19.72 C ATOM 636 CD2 PHE B 65 -24.706 13.837 17.150 1.00 19.99 C ATOM 637 CE1 PHE B 65 -24.910 16.529 17.751 1.00 19.30 C ATOM 638 CE2 PHE B 65 -24.217 14.318 18.371 1.00 19.38 C ATOM 639 CZ PHE B 65 -24.324 15.667 18.667 1.00 19.14 C ATOM 640 H PHE B 65 -28.252 15.491 16.026 1.00 0.00 H ATOM 641 N SER B 66 -27.329 11.615 15.680 1.00 19.45 N ATOM 642 CA SER B 66 -27.365 10.503 16.604 1.00 19.86 C ATOM 643 C SER B 66 -25.966 9.933 16.729 1.00 20.49 C ATOM 644 O SER B 66 -25.179 9.987 15.770 1.00 19.03 O ATOM 645 CB SER B 66 -28.291 9.411 16.078 1.00 21.68 C ATOM 646 OG SER B 66 -29.601 9.880 15.824 1.00 21.84 O ATOM 647 HG SER B 66 -29.993 10.232 16.662 1.00 0.00 H ATOM 648 H SER B 66 -27.072 11.422 14.691 1.00 0.00 H ATOM 649 N SER B 67 -25.660 9.396 17.913 1.00 21.44 N ATOM 650 CA SER B 67 -24.394 8.686 18.185 1.00 21.19 C ATOM 651 C SER B 67 -24.656 7.522 19.131 1.00 21.91 C ATOM 652 O SER B 67 -25.140 7.744 20.249 1.00 25.61 O ATOM 653 CB SER B 67 -23.377 9.630 18.847 1.00 20.86 C ATOM 654 OG SER B 67 -22.121 8.986 19.035 1.00 18.92 O ATOM 655 HG SER B 67 -21.763 8.701 18.157 1.00 0.00 H ATOM 656 H SER B 67 -26.351 9.483 18.685 1.00 0.00 H ATOM 657 N THR B 68 -24.350 6.298 18.712 1.00 20.08 N ATOM 658 CA THR B 68 -24.370 5.172 19.644 1.00 20.01 C ATOM 659 C THR B 68 -23.245 5.306 20.677 1.00 19.65 C ATOM 660 O THR B 68 -23.426 4.946 21.834 1.00 18.69 O ATOM 661 CB THR B 68 -24.238 3.800 18.936 1.00 19.80 C ATOM 662 OG1 THR B 68 -22.939 3.676 18.317 1.00 19.17 O ATOM 663 CG2 THR B 68 -25.336 3.653 17.895 1.00 19.18 C ATOM 664 HG1 THR B 68 -22.236 3.751 19.010 1.00 0.00 H ATOM 665 H THR B 68 -24.095 6.141 17.716 1.00 0.00 H ATOM 666 N GLU B 69 -22.091 5.812 20.239 1.00 19.73 N ATOM 667 CA GLU B 69 -20.922 5.947 21.105 1.00 20.29 C ATOM 668 C GLU B 69 -20.958 7.233 21.910 1.00 20.43 C ATOM 669 O GLU B 69 -21.408 8.262 21.421 1.00 21.64 O ATOM 670 CB GLU B 69 -19.592 5.917 20.304 1.00 20.66 C ATOM 671 CG GLU B 69 -19.322 4.640 19.509 1.00 20.64 C ATOM 672 CD GLU B 69 -19.775 3.399 20.259 1.00 20.90 C ATOM 673 OE1 GLU B 69 -19.058 2.945 21.198 1.00 20.95 O ATOM 674 OE2 GLU B 69 -20.864 2.892 19.908 1.00 20.05 O ATOM 675 H GLU B 69 -22.021 6.121 19.248 1.00 0.00 H ATOM 676 N GLN B 70 -20.459 7.146 23.142 1.00 19.81 N ATOM 677 CA GLN B 70 -20.208 8.288 23.992 1.00 19.60 C ATOM 678 C GLN B 70 -19.065 9.111 23.421 1.00 20.04 C ATOM 679 O GLN B 70 -18.080 8.549 22.952 1.00 19.25 O ATOM 680 CB GLN B 70 -19.802 7.805 25.401 1.00 18.47 C ATOM 681 CG GLN B 70 -19.495 8.909 26.422 1.00 17.67 C ATOM 682 CD GLN B 70 -19.326 8.369 27.850 1.00 17.10 C ATOM 683 OE1 GLN B 70 -18.235 8.476 28.462 1.00 16.98 O ATOM 684 NE2 GLN B 70 -20.390 7.785 28.385 1.00 16.06 N ATOM 685 HE22 GLN B 70 -21.275 7.718 27.842 1.00 0.00 H ATOM 686 HE21 GLN B 70 -20.340 7.394 29.347 1.00 0.00 H ATOM 687 H GLN B 70 -20.237 6.201 23.514 1.00 0.00 H ATOM 688 N MET B 71 -19.180 10.437 23.483 1.00 20.23 N ATOM 689 CA MET B 71 -18.036 11.281 23.170 1.00 21.43 C ATOM 690 C MET B 71 -17.760 12.260 24.304 1.00 23.06 C ATOM 691 O MET B 71 -18.682 12.893 24.848 1.00 21.53 O ATOM 692 CB MET B 71 -18.246 12.021 21.834 1.00 21.70 C ATOM 693 CG MET B 71 -18.059 11.143 20.600 1.00 21.74 C ATOM 694 SD MET B 71 -18.238 12.001 19.010 1.00 21.89 S ATOM 695 CE MET B 71 -19.993 11.885 18.681 1.00 19.56 C ATOM 696 H MET B 71 -20.086 10.869 23.755 1.00 0.00 H ATOM 697 N GLU B 72 -16.480 12.378 24.650 1.00 26.54 N ATOM 698 CA GLU B 72 -16.031 13.314 25.685 1.00 29.43 C ATOM 699 C GLU B 72 -16.132 14.768 25.183 1.00 28.17 C ATOM 700 O GLU B 72 -16.735 15.598 25.843 1.00 26.15 O ATOM 701 CB GLU B 72 -14.588 13.017 26.113 1.00 34.59 C ATOM 702 CG GLU B 72 -14.212 11.535 26.298 1.00 42.93 C ATOM 703 CD GLU B 72 -14.802 10.889 27.559 1.00 46.68 C ATOM 704 OE1 GLU B 72 -14.349 11.245 28.684 1.00 52.76 O ATOM 705 OE2 GLU B 72 -15.699 10.012 27.413 1.00 47.58 O ATOM 706 H GLU B 72 -15.774 11.785 24.169 1.00 0.00 H ATOM 707 N LYS B 73 -15.533 15.067 24.021 1.00 28.49 N ATOM 708 CA LYS B 73 -15.524 16.436 23.455 1.00 30.91 C ATOM 709 C LYS B 73 -15.791 16.447 21.941 1.00 27.41 C ATOM 710 O LYS B 73 -14.883 16.551 21.116 1.00 24.87 O ATOM 711 CB LYS B 73 -14.205 17.140 23.758 1.00 36.29 C ATOM 712 CG LYS B 73 -14.230 18.644 23.467 1.00 45.79 C ATOM 713 CD LYS B 73 -12.830 19.258 23.606 1.00 53.58 C ATOM 714 CE LYS B 73 -12.807 20.553 24.417 1.00 58.60 C ATOM 715 NZ LYS B 73 -13.486 20.406 25.746 1.00 62.93 N ATOM 716 HZ1 LYS B 73 -14.479 20.136 25.598 1.00 0.00 H ATOM 717 HZ2 LYS B 73 -13.004 19.670 26.301 1.00 0.00 H ATOM 718 HZ3 LYS B 73 -13.444 21.311 26.257 1.00 0.00 H ATOM 719 H LYS B 73 -15.055 14.307 23.496 1.00 0.00 H ATOM 720 N PHE B 74 -17.055 16.310 21.588 1.00 25.81 N ATOM 721 CA PHE B 74 -17.435 16.266 20.199 1.00 24.94 C ATOM 722 C PHE B 74 -17.329 17.692 19.643 1.00 23.45 C ATOM 723 O PHE B 74 -17.815 18.637 20.233 1.00 22.19 O ATOM 724 CB PHE B 74 -18.822 15.654 20.056 1.00 24.73 C ATOM 725 CG PHE B 74 -19.363 15.692 18.673 1.00 25.96 C ATOM 726 CD1 PHE B 74 -18.612 15.239 17.606 1.00 26.32 C ATOM 727 CD2 PHE B 74 -20.641 16.175 18.430 1.00 26.75 C ATOM 728 CE1 PHE B 74 -19.113 15.280 16.325 1.00 25.63 C ATOM 729 CE2 PHE B 74 -21.151 16.212 17.144 1.00 27.11 C ATOM 730 CZ PHE B 74 -20.383 15.755 16.092 1.00 25.73 C ATOM 731 H PHE B 74 -17.787 16.233 22.323 1.00 0.00 H ATOM 732 N ARG B 75 -16.612 17.835 18.536 1.00 23.17 N ATOM 733 CA ARG B 75 -16.417 19.134 17.915 1.00 21.91 C ATOM 734 C ARG B 75 -16.209 18.984 16.386 1.00 21.24 C ATOM 735 O ARG B 75 -16.004 17.867 15.871 1.00 19.40 O ATOM 736 CB ARG B 75 -15.224 19.819 18.587 1.00 22.12 C ATOM 737 CG ARG B 75 -13.918 19.124 18.359 1.00 22.63 C ATOM 738 CD ARG B 75 -12.766 19.798 19.073 1.00 22.98 C ATOM 739 NE ARG B 75 -11.539 19.107 18.692 1.00 22.81 N ATOM 740 CZ ARG B 75 -10.741 19.446 17.681 1.00 22.85 C ATOM 741 NH1 ARG B 75 -10.985 20.508 16.924 1.00 23.96 N ATOM 742 NH2 ARG B 75 -9.674 18.712 17.429 1.00 22.81 N ATOM 743 HE ARG B 75 -11.264 18.279 19.258 1.00 0.00 H ATOM 744 HH12 ARG B 75 -10.343 20.747 16.141 1.00 0.00 H ATOM 745 HH11 ARG B 75 -11.818 21.101 17.113 1.00 0.00 H ATOM 746 HH22 ARG B 75 -9.042 18.965 16.643 1.00 0.00 H ATOM 747 HH21 ARG B 75 -9.465 17.880 18.017 1.00 0.00 H ATOM 748 H ARG B 75 -16.178 16.996 18.101 1.00 0.00 H ATOM 749 N LEU B 76 -16.284 20.112 15.677 1.00 20.96 N ATOM 750 CA LEU B 76 -16.054 20.169 14.242 1.00 20.85 C ATOM 751 C LEU B 76 -15.018 21.213 13.891 1.00 20.12 C ATOM 752 O LEU B 76 -14.985 22.291 14.479 1.00 19.75 O ATOM 753 CB LEU B 76 -17.323 20.563 13.466 1.00 22.26 C ATOM 754 CG LEU B 76 -18.645 19.826 13.646 1.00 23.26 C ATOM 755 CD1 LEU B 76 -19.741 20.484 12.829 1.00 22.54 C ATOM 756 CD2 LEU B 76 -18.493 18.354 13.288 1.00 25.20 C ATOM 757 H LEU B 76 -16.519 20.994 16.175 1.00 0.00 H ATOM 758 N GLU B 77 -14.224 20.905 12.872 1.00 20.11 N ATOM 759 CA GLU B 77 -13.408 21.897 12.170 1.00 21.44 C ATOM 760 C GLU B 77 -13.929 21.964 10.727 1.00 21.30 C ATOM 761 O GLU B 77 -14.169 20.933 10.093 1.00 21.04 O ATOM 762 CB GLU B 77 -11.922 21.510 12.210 1.00 23.09 C ATOM 763 CG GLU B 77 -11.325 21.598 13.617 1.00 24.93 C ATOM 764 CD GLU B 77 -9.868 21.142 13.738 1.00 25.95 C ATOM 765 OE1 GLU B 77 -9.186 20.933 12.714 1.00 27.65 O ATOM 766 OE2 GLU B 77 -9.394 20.990 14.895 1.00 28.15 O ATOM 767 H GLU B 77 -14.180 19.914 12.559 1.00 0.00 H ATOM 768 N GLN B 78 -14.151 23.171 10.220 1.00 20.99 N ATOM 769 CA GLN B 78 -14.603 23.330 8.849 1.00 21.24 C ATOM 770 C GLN B 78 -13.723 24.294 8.085 1.00 22.33 C ATOM 771 O GLN B 78 -13.397 25.374 8.592 1.00 24.54 O ATOM 772 CB GLN B 78 -16.047 23.811 8.804 1.00 20.17 C ATOM 773 CG GLN B 78 -17.029 22.744 9.232 1.00 20.23 C ATOM 774 CD GLN B 78 -18.454 23.211 9.124 1.00 20.16 C ATOM 775 OE1 GLN B 78 -18.854 24.163 9.787 1.00 20.14 O ATOM 776 NE2 GLN B 78 -19.222 22.578 8.242 1.00 21.01 N ATOM 777 HE22 GLN B 78 -18.841 21.775 7.702 1.00 0.00 H ATOM 778 HE21 GLN B 78 -20.204 22.886 8.092 1.00 0.00 H ATOM 779 H GLN B 78 -13.999 24.013 10.812 1.00 0.00 H ATOM 780 N LYS B 79 -13.373 23.918 6.857 1.00 21.27 N ATOM 781 CA LYS B 79 -12.637 24.797 5.971 1.00 22.34 C ATOM 782 C LYS B 79 -13.423 25.136 4.691 1.00 22.48 C ATOM 783 O LYS B 79 -14.018 24.249 4.054 1.00 21.78 O ATOM 784 CB LYS B 79 -11.333 24.149 5.605 1.00 24.18 C ATOM 785 CG LYS B 79 -10.347 24.149 6.746 1.00 25.99 C ATOM 786 CD LYS B 79 -9.063 23.523 6.294 1.00 29.02 C ATOM 787 CE LYS B 79 -7.991 23.635 7.359 1.00 33.83 C ATOM 788 NZ LYS B 79 -6.686 23.314 6.728 1.00 36.28 N ATOM 789 HZ1 LYS B 79 -6.715 22.347 6.346 1.00 0.00 H ATOM 790 HZ2 LYS B 79 -6.500 23.987 5.957 1.00 0.00 H ATOM 791 HZ3 LYS B 79 -5.931 23.384 7.440 1.00 0.00 H ATOM 792 H LYS B 79 -13.635 22.968 6.525 1.00 0.00 H ATOM 793 N VAL B 80 -13.416 26.417 4.336 1.00 20.60 N ATOM 794 CA VAL B 80 -14.094 26.909 3.154 1.00 20.73 C ATOM 795 C VAL B 80 -13.018 27.101 2.106 1.00 19.99 C ATOM 796 O VAL B 80 -12.186 27.980 2.235 1.00 19.39 O ATOM 797 CB VAL B 80 -14.843 28.239 3.430 1.00 20.84 C ATOM 798 CG1 VAL B 80 -15.575 28.725 2.190 1.00 20.96 C ATOM 799 CG2 VAL B 80 -15.821 28.087 4.592 1.00 20.39 C ATOM 800 H VAL B 80 -12.901 27.096 4.933 1.00 0.00 H ATOM 801 N TYR B 81 -13.005 26.215 1.115 1.00 20.79 N ATOM 802 CA TYR B 81 -12.066 26.282 -0.016 1.00 20.84 C ATOM 803 C TYR B 81 -12.755 26.842 -1.253 1.00 21.13 C ATOM 804 O TYR B 81 -13.867 26.403 -1.622 1.00 20.69 O ATOM 805 CB TYR B 81 -11.575 24.899 -0.393 1.00 20.98 C ATOM 806 CG TYR B 81 -10.620 24.277 0.579 1.00 22.45 C ATOM 807 CD1 TYR B 81 -9.284 24.607 0.546 1.00 23.32 C ATOM 808 CD2 TYR B 81 -11.051 23.340 1.523 1.00 22.71 C ATOM 809 CE1 TYR B 81 -8.390 24.038 1.416 1.00 24.54 C ATOM 810 CE2 TYR B 81 -10.163 22.766 2.407 1.00 23.63 C ATOM 811 CZ TYR B 81 -8.834 23.118 2.342 1.00 25.65 C ATOM 812 OH TYR B 81 -7.914 22.560 3.193 1.00 28.96 O ATOM 813 HH TYR B 81 -7.018 22.932 2.998 1.00 0.00 H ATOM 814 H TYR B 81 -13.693 25.435 1.140 1.00 0.00 H ATOM 815 N PHE B 82 -12.101 27.808 -1.885 1.00 20.72 N ATOM 816 CA PHE B 82 -12.496 28.287 -3.207 1.00 20.20 C ATOM 817 C PHE B 82 -11.360 27.948 -4.192 1.00 20.74 C ATOM 818 O PHE B 82 -10.213 28.395 -4.019 1.00 18.09 O ATOM 819 CB PHE B 82 -12.777 29.796 -3.154 1.00 19.78 C ATOM 820 CG PHE B 82 -12.915 30.441 -4.518 1.00 19.21 C ATOM 821 CD1 PHE B 82 -14.125 30.374 -5.222 1.00 18.82 C ATOM 822 CD2 PHE B 82 -11.826 31.100 -5.103 1.00 18.49 C ATOM 823 CE1 PHE B 82 -14.250 30.949 -6.485 1.00 18.44 C ATOM 824 CE2 PHE B 82 -11.953 31.696 -6.350 1.00 19.02 C ATOM 825 CZ PHE B 82 -13.171 31.623 -7.037 1.00 19.00 C ATOM 826 H PHE B 82 -11.276 28.240 -1.422 1.00 0.00 H ATOM 827 N LYS B 83 -11.685 27.125 -5.193 1.00 20.81 N ATOM 828 CA LYS B 83 -10.707 26.635 -6.157 1.00 20.90 C ATOM 829 C LYS B 83 -9.440 26.105 -5.479 1.00 21.47 C ATOM 830 O LYS B 83 -8.332 26.366 -5.939 1.00 20.70 O ATOM 831 CB LYS B 83 -10.342 27.740 -7.160 1.00 20.98 C ATOM 832 CG LYS B 83 -11.514 28.261 -7.967 1.00 21.52 C ATOM 833 CD LYS B 83 -11.031 28.942 -9.242 1.00 22.25 C ATOM 834 CE LYS B 83 -12.135 29.724 -9.933 1.00 22.06 C ATOM 835 NZ LYS B 83 -11.664 30.301 -11.209 1.00 22.62 N ATOM 836 HZ1 LYS B 83 -10.867 30.944 -11.024 1.00 0.00 H ATOM 837 HZ2 LYS B 83 -11.354 29.535 -11.841 1.00 0.00 H ATOM 838 HZ3 LYS B 83 -12.440 30.829 -11.657 1.00 0.00 H ATOM 839 H LYS B 83 -12.675 26.822 -5.288 1.00 0.00 H ATOM 840 N GLY B 84 -9.588 25.377 -4.374 1.00 23.21 N ATOM 841 CA GLY B 84 -8.425 24.747 -3.737 1.00 23.81 C ATOM 842 C GLY B 84 -7.749 25.624 -2.702 1.00 25.49 C ATOM 843 O GLY B 84 -6.901 25.160 -1.971 1.00 26.78 O ATOM 844 H GLY B 84 -10.534 25.254 -3.959 1.00 0.00 H ATOM 845 N GLN B 85 -8.148 26.890 -2.612 1.00 26.95 N ATOM 846 CA GLN B 85 -7.604 27.788 -1.620 1.00 26.60 C ATOM 847 C GLN B 85 -8.499 27.905 -0.377 1.00 26.06 C ATOM 848 O GLN B 85 -9.654 28.287 -0.481 1.00 22.48 O ATOM 849 CB GLN B 85 -7.440 29.161 -2.223 1.00 28.13 C ATOM 850 CG GLN B 85 -6.870 30.157 -1.240 1.00 32.89 C ATOM 851 CD GLN B 85 -6.253 31.332 -1.938 1.00 37.22 C ATOM 852 OE1 GLN B 85 -5.295 31.180 -2.687 1.00 46.71 O ATOM 853 NE2 GLN B 85 -6.814 32.505 -1.724 1.00 40.07 N ATOM 854 HE22 GLN B 85 -7.626 32.583 -1.079 1.00 0.00 H ATOM 855 HE21 GLN B 85 -6.445 33.353 -2.200 1.00 0.00 H ATOM 856 H GLN B 85 -8.870 27.242 -3.273 1.00 0.00 H ATOM 857 N CYS B 86 -7.942 27.630 0.801 1.00 27.64 N ATOM 858 CA CYS B 86 -8.670 27.868 2.050 1.00 29.07 C ATOM 859 C CYS B 86 -8.890 29.355 2.299 1.00 28.05 C ATOM 860 O CYS B 86 -7.943 30.083 2.498 1.00 29.98 O ATOM 861 CB CYS B 86 -7.932 27.274 3.252 1.00 28.64 C ATOM 862 SG CYS B 86 -8.918 27.536 4.733 1.00 30.64 S ATOM 863 H CYS B 86 -6.978 27.241 0.835 1.00 0.00 H ATOM 864 N LEU B 87 -10.142 29.794 2.290 1.00 29.89 N ATOM 865 CA LEU B 87 -10.508 31.192 2.537 1.00 30.19 C ATOM 866 C LEU B 87 -10.760 31.430 4.002 1.00 32.68 C ATOM 867 O LEU B 87 -10.437 32.489 4.526 1.00 32.38 O ATOM 868 CB LEU B 87 -11.814 31.534 1.816 1.00 31.12 C ATOM 869 CG LEU B 87 -11.818 32.123 0.404 1.00 30.14 C ATOM 870 CD1 LEU B 87 -10.565 31.768 -0.367 1.00 31.50 C ATOM 871 CD2 LEU B 87 -13.082 31.692 -0.306 1.00 30.24 C ATOM 872 H LEU B 87 -10.903 29.111 2.098 1.00 0.00 H ATOM 873 N GLU B 88 -11.399 30.466 4.658 1.00 33.95 N ATOM 874 CA GLU B 88 -11.716 30.626 6.068 1.00 34.77 C ATOM 875 C GLU B 88 -11.774 29.294 6.805 1.00 33.81 C ATOM 876 O GLU B 88 -12.091 28.260 6.222 1.00 31.41 O ATOM 877 CB GLU B 88 -13.025 31.384 6.224 1.00 35.40 C ATOM 878 CG GLU B 88 -13.047 32.271 7.457 1.00 38.73 C ATOM 879 CD GLU B 88 -14.206 33.248 7.447 1.00 38.70 C ATOM 880 OE1 GLU B 88 -14.028 34.392 6.973 1.00 39.36 O ATOM 881 OE2 GLU B 88 -15.299 32.866 7.894 1.00 41.03 O ATOM 882 H GLU B 88 -11.673 29.595 4.161 1.00 0.00 H ATOM 883 N GLU B 89 -11.449 29.339 8.094 1.00 34.58 N ATOM 884 CA GLU B 89 -11.472 28.155 8.943 1.00 34.20 C ATOM 885 C GLU B 89 -12.386 28.392 10.142 1.00 31.12 C ATOM 886 O GLU B 89 -12.225 29.384 10.828 1.00 29.61 O ATOM 887 CB GLU B 89 -10.062 27.832 9.397 1.00 36.42 C ATOM 888 CG GLU B 89 -9.940 26.457 10.027 1.00 43.77 C ATOM 889 CD GLU B 89 -8.501 26.015 10.199 1.00 49.52 C ATOM 890 OE1 GLU B 89 -7.585 26.866 10.024 1.00 53.75 O ATOM 891 OE2 GLU B 89 -8.297 24.811 10.490 1.00 52.30 O ATOM 892 H GLU B 89 -11.169 30.250 8.510 1.00 0.00 H ATOM 893 N TRP B 90 -13.343 27.482 10.368 1.00 28.34 N ATOM 894 CA TRP B 90 -14.297 27.575 11.488 1.00 27.18 C ATOM 895 C TRP B 90 -14.108 26.452 12.515 1.00 26.08 C ATOM 896 O TRP B 90 -13.670 25.357 12.175 1.00 25.79 O ATOM 897 CB TRP B 90 -15.735 27.507 10.997 1.00 26.98 C ATOM 898 CG TRP B 90 -16.101 28.499 9.962 1.00 28.36 C ATOM 899 CD1 TRP B 90 -15.596 29.761 9.822 1.00 28.86 C ATOM 900 CD2 TRP B 90 -17.077 28.339 8.925 1.00 27.16 C ATOM 901 NE1 TRP B 90 -16.186 30.383 8.750 1.00 28.35 N ATOM 902 CE2 TRP B 90 -17.104 29.542 8.188 1.00 28.05 C ATOM 903 CE3 TRP B 90 -17.933 27.300 8.546 1.00 27.19 C ATOM 904 CZ2 TRP B 90 -17.969 29.741 7.096 1.00 27.44 C ATOM 905 CZ3 TRP B 90 -18.793 27.499 7.453 1.00 26.37 C ATOM 906 CH2 TRP B 90 -18.790 28.703 6.740 1.00 25.87 C ATOM 907 HE1 TRP B 90 -15.968 31.344 8.418 1.00 0.00 H ATOM 908 H TRP B 90 -13.416 26.670 9.722 1.00 0.00 H ATOM 909 N PHE B 91 -14.436 26.742 13.769 1.00 24.85 N ATOM 910 CA PHE B 91 -14.310 25.769 14.863 1.00 24.83 C ATOM 911 C PHE B 91 -15.575 25.838 15.672 1.00 24.70 C ATOM 912 O PHE B 91 -15.977 26.909 16.070 1.00 23.72 O ATOM 913 CB PHE B 91 -13.109 26.078 15.757 1.00 24.66 C ATOM 914 CG PHE B 91 -11.802 26.136 15.011 1.00 24.77 C ATOM 915 CD1 PHE B 91 -11.431 27.283 14.319 1.00 24.42 C ATOM 916 CD2 PHE B 91 -10.954 25.039 14.978 1.00 23.92 C ATOM 917 CE1 PHE B 91 -10.236 27.327 13.626 1.00 23.72 C ATOM 918 CE2 PHE B 91 -9.766 25.088 14.289 1.00 23.57 C ATOM 919 CZ PHE B 91 -9.407 26.232 13.616 1.00 23.11 C ATOM 920 H PHE B 91 -14.796 27.694 13.985 1.00 0.00 H ATOM 921 N PHE B 92 -16.230 24.699 15.859 1.00 25.88 N ATOM 922 CA PHE B 92 -17.435 24.620 16.693 1.00 26.29 C ATOM 923 C PHE B 92 -17.265 23.457 17.681 1.00 27.94 C ATOM 924 O PHE B 92 -16.651 22.442 17.346 1.00 25.24 O ATOM 925 CB PHE B 92 -18.687 24.411 15.834 1.00 26.24 C ATOM 926 CG PHE B 92 -18.829 25.398 14.705 1.00 27.65 C ATOM 927 CD1 PHE B 92 -18.270 25.139 13.468 1.00 27.10 C ATOM 928 CD2 PHE B 92 -19.547 26.574 14.873 1.00 28.10 C ATOM 929 CE1 PHE B 92 -18.397 26.046 12.434 1.00 28.02 C ATOM 930 CE2 PHE B 92 -19.671 27.482 13.845 1.00 28.25 C ATOM 931 CZ PHE B 92 -19.098 27.218 12.620 1.00 27.35 C ATOM 932 H PHE B 92 -15.878 23.835 15.400 1.00 0.00 H ATOM 933 N GLU B 93 -17.790 23.631 18.894 1.00 29.77 N ATOM 934 CA GLU B 93 -17.711 22.633 19.963 1.00 31.00 C ATOM 935 C GLU B 93 -19.099 22.248 20.422 1.00 27.68 C ATOM 936 O GLU B 93 -19.919 23.133 20.677 1.00 24.44 O ATOM 937 CB GLU B 93 -16.996 23.199 21.180 1.00 36.35 C ATOM 938 CG GLU B 93 -15.553 22.761 21.316 1.00 42.53 C ATOM 939 CD GLU B 93 -15.087 22.773 22.766 1.00 48.78 C ATOM 940 OE1 GLU B 93 -15.633 21.979 23.586 1.00 50.74 O ATOM 941 OE2 GLU B 93 -14.169 23.569 23.081 1.00 52.92 O ATOM 942 H GLU B 93 -18.283 24.525 19.092 1.00 0.00 H ATOM 943 N PHE B 94 -19.358 20.939 20.494 1.00 22.96 N ATOM 944 CA PHE B 94 -20.570 20.436 21.122 1.00 22.80 C ATOM 945 C PHE B 94 -20.277 20.023 22.561 1.00 22.91 C ATOM 946 O PHE B 94 -21.057 20.309 23.444 1.00 21.90 O ATOM 947 CB PHE B 94 -21.156 19.240 20.366 1.00 22.31 C ATOM 948 CG PHE B 94 -22.460 18.752 20.928 1.00 21.15 C ATOM 949 CD1 PHE B 94 -23.653 19.371 20.577 1.00 21.22 C ATOM 950 CD2 PHE B 94 -22.501 17.683 21.801 1.00 20.72 C ATOM 951 CE1 PHE B 94 -24.864 18.938 21.084 1.00 20.35 C ATOM 952 CE2 PHE B 94 -23.709 17.252 22.322 1.00 20.54 C ATOM 953 CZ PHE B 94 -24.885 17.886 21.969 1.00 20.77 C ATOM 954 H PHE B 94 -18.677 20.264 20.092 1.00 0.00 H ATOM 955 N GLY B 95 -19.161 19.327 22.778 1.00 23.16 N ATOM 956 CA GLY B 95 -18.850 18.783 24.085 1.00 24.03 C ATOM 957 C GLY B 95 -19.321 17.338 24.241 1.00 24.27 C ATOM 958 O GLY B 95 -19.115 16.500 23.346 1.00 25.47 O ATOM 959 H GLY B 95 -18.498 19.171 21.992 1.00 0.00 H ATOM 960 N PHE B 96 -19.974 17.060 25.364 1.00 22.33 N ATOM 961 CA PHE B 96 -20.200 15.697 25.797 1.00 21.33 C ATOM 962 C PHE B 96 -21.399 15.078 25.104 1.00 19.99 C ATOM 963 O PHE B 96 -22.467 15.675 25.084 1.00 19.23 O ATOM 964 CB PHE B 96 -20.412 15.635 27.323 1.00 21.46 C ATOM 965 CG PHE B 96 -20.681 14.243 27.823 1.00 21.44 C ATOM 966 CD1 PHE B 96 -19.643 13.352 28.005 1.00 21.47 C ATOM 967 CD2 PHE B 96 -21.966 13.815 28.070 1.00 21.90 C ATOM 968 CE1 PHE B 96 -19.881 12.064 28.446 1.00 21.90 C ATOM 969 CE2 PHE B 96 -22.209 12.512 28.510 1.00 22.02 C ATOM 970 CZ PHE B 96 -21.170 11.640 28.687 1.00 20.71 C ATOM 971 H PHE B 96 -20.333 17.842 25.948 1.00 0.00 H ATOM 972 N VAL B 97 -21.237 13.859 24.582 1.00 19.53 N ATOM 973 CA VAL B 97 -22.332 13.166 23.902 1.00 19.29 C ATOM 974 C VAL B 97 -22.677 11.866 24.628 1.00 20.33 C ATOM 975 O VAL B 97 -21.836 11.002 24.804 1.00 21.81 O ATOM 976 CB VAL B 97 -21.999 12.835 22.417 1.00 19.21 C ATOM 977 CG1 VAL B 97 -23.196 12.173 21.713 1.00 18.76 C ATOM 978 CG2 VAL B 97 -21.500 14.062 21.653 1.00 18.78 C ATOM 979 H VAL B 97 -20.311 13.392 24.661 1.00 0.00 H ATOM 980 N ILE B 98 -23.940 11.722 24.996 1.00 21.71 N ATOM 981 CA ILE B 98 -24.452 10.540 25.666 1.00 22.97 C ATOM 982 C ILE B 98 -24.556 9.383 24.668 1.00 22.82 C ATOM 983 O ILE B 98 -25.077 9.578 23.592 1.00 22.85 O ATOM 984 CB ILE B 98 -25.838 10.853 26.285 1.00 24.19 C ATOM 985 CG1 ILE B 98 -25.681 11.796 27.495 1.00 25.03 C ATOM 986 CG2 ILE B 98 -26.564 9.587 26.727 1.00 25.25 C ATOM 987 CD1 ILE B 98 -26.996 12.456 27.911 1.00 25.86 C ATOM 988 H ILE B 98 -24.602 12.498 24.794 1.00 0.00 H ATOM 989 N PRO B 99 -24.063 8.174 25.032 1.00 22.36 N ATOM 990 CA PRO B 99 -24.209 7.042 24.147 1.00 22.05 C ATOM 991 C PRO B 99 -25.682 6.759 23.852 1.00 22.17 C ATOM 992 O PRO B 99 -26.482 6.781 24.766 1.00 22.32 O ATOM 993 CB PRO B 99 -23.559 5.867 24.937 1.00 22.56 C ATOM 994 CG PRO B 99 -23.492 6.316 26.362 1.00 22.71 C ATOM 995 CD PRO B 99 -23.329 7.815 26.264 1.00 22.57 C ATOM 996 N ASN B 100 -26.003 6.487 22.583 1.00 23.01 N ATOM 997 CA ASN B 100 -27.374 6.275 22.085 1.00 23.26 C ATOM 998 C ASN B 100 -28.293 7.466 22.273 1.00 22.52 C ATOM 999 O ASN B 100 -29.467 7.305 22.541 1.00 21.71 O ATOM 1000 CB ASN B 100 -28.014 5.032 22.694 1.00 24.55 C ATOM 1001 CG ASN B 100 -27.215 3.777 22.400 1.00 27.38 C ATOM 1002 OD1 ASN B 100 -26.556 3.213 23.283 1.00 30.01 O ATOM 1003 ND2 ASN B 100 -27.228 3.364 21.149 1.00 27.84 N ATOM 1004 HD22 ASN B 100 -27.797 3.870 20.440 1.00 0.00 H ATOM 1005 HD21 ASN B 100 -26.669 2.532 20.870 1.00 0.00 H ATOM 1006 H ASN B 100 -25.226 6.420 21.895 1.00 0.00 H ATOM 1007 N SER B 101 -27.748 8.664 22.142 1.00 21.18 N ATOM 1008 CA SER B 101 -28.558 9.845 22.140 1.00 20.37 C ATOM 1009 C SER B 101 -28.711 10.398 20.721 1.00 22.24 C ATOM 1010 O SER B 101 -27.933 10.072 19.810 1.00 20.43 O ATOM 1011 CB SER B 101 -27.937 10.915 23.027 1.00 19.72 C ATOM 1012 OG SER B 101 -26.591 11.152 22.701 1.00 18.75 O ATOM 1013 HG SER B 101 -26.073 10.316 22.815 1.00 0.00 H ATOM 1014 H SER B 101 -26.717 8.750 22.039 1.00 0.00 H ATOM 1015 N THR B 102 -29.713 11.262 20.588 1.00 22.22 N ATOM 1016 CA THR B 102 -29.977 12.036 19.416 1.00 23.32 C ATOM 1017 C THR B 102 -30.033 13.474 19.889 1.00 25.44 C ATOM 1018 O THR B 102 -30.706 13.740 20.870 1.00 28.02 O ATOM 1019 CB THR B 102 -31.319 11.613 18.811 1.00 23.42 C ATOM 1020 OG1 THR B 102 -31.158 10.285 18.288 1.00 24.20 O ATOM 1021 CG2 THR B 102 -31.760 12.565 17.684 1.00 23.46 C ATOM 1022 HG1 THR B 102 -30.451 10.288 17.595 1.00 0.00 H ATOM 1023 H THR B 102 -30.353 11.384 21.398 1.00 0.00 H ATOM 1024 N ASN B 103 -29.333 14.387 19.200 1.00 25.26 N ATOM 1025 CA ASN B 103 -29.078 15.737 19.695 1.00 25.14 C ATOM 1026 C ASN B 103 -29.212 16.819 18.611 1.00 26.64 C ATOM 1027 O ASN B 103 -28.881 16.603 17.432 1.00 25.40 O ATOM 1028 CB ASN B 103 -27.652 15.846 20.246 1.00 26.84 C ATOM 1029 CG ASN B 103 -27.284 14.726 21.221 1.00 27.69 C ATOM 1030 OD1 ASN B 103 -27.361 14.915 22.437 1.00 29.48 O ATOM 1031 ND2 ASN B 103 -26.852 13.566 20.692 1.00 25.53 N ATOM 1032 HD22 ASN B 103 -26.804 13.451 19.659 1.00 0.00 H ATOM 1033 HD21 ASN B 103 -26.567 12.784 21.316 1.00 0.00 H ATOM 1034 H ASN B 103 -28.954 14.121 18.269 1.00 0.00 H ATOM 1035 N THR B 104 -29.657 18.002 19.024 1.00 25.57 N ATOM 1036 CA THR B 104 -29.764 19.125 18.125 1.00 25.01 C ATOM 1037 C THR B 104 -28.686 20.088 18.525 1.00 25.25 C ATOM 1038 O THR B 104 -28.557 20.399 19.694 1.00 25.20 O ATOM 1039 CB THR B 104 -31.153 19.772 18.212 1.00 26.19 C ATOM 1040 OG1 THR B 104 -32.128 18.835 17.729 1.00 25.73 O ATOM 1041 CG2 THR B 104 -31.226 21.058 17.377 1.00 26.44 C ATOM 1042 HG1 THR B 104 -33.029 19.242 17.780 1.00 0.00 H ATOM 1043 H THR B 104 -29.935 18.120 20.019 1.00 0.00 H ATOM 1044 N TRP B 105 -27.899 20.549 17.552 1.00 25.03 N ATOM 1045 CA TRP B 105 -26.773 21.432 17.823 1.00 24.15 C ATOM 1046 C TRP B 105 -26.923 22.723 17.005 1.00 28.09 C ATOM 1047 O TRP B 105 -26.875 22.688 15.767 1.00 27.45 O ATOM 1048 CB TRP B 105 -25.504 20.691 17.454 1.00 21.73 C ATOM 1049 CG TRP B 105 -24.220 21.399 17.702 1.00 20.66 C ATOM 1050 CD1 TRP B 105 -24.019 22.588 18.359 1.00 20.52 C ATOM 1051 CD2 TRP B 105 -22.926 20.926 17.336 1.00 19.38 C ATOM 1052 NE1 TRP B 105 -22.669 22.893 18.388 1.00 18.64 N ATOM 1053 CE2 TRP B 105 -21.985 21.887 17.765 1.00 18.77 C ATOM 1054 CE3 TRP B 105 -22.474 19.792 16.659 1.00 19.30 C ATOM 1055 CZ2 TRP B 105 -20.616 21.737 17.554 1.00 18.48 C ATOM 1056 CZ3 TRP B 105 -21.124 19.641 16.458 1.00 19.18 C ATOM 1057 CH2 TRP B 105 -20.206 20.624 16.902 1.00 18.79 C ATOM 1058 HE1 TRP B 105 -22.247 23.744 18.812 1.00 0.00 H ATOM 1059 H TRP B 105 -28.095 20.269 16.570 1.00 0.00 H ATOM 1060 N GLN B 106 -27.110 23.845 17.706 1.00 29.99 N ATOM 1061 CA GLN B 106 -27.242 25.164 17.102 1.00 32.21 C ATOM 1062 C GLN B 106 -25.909 25.914 17.126 1.00 31.59 C ATOM 1063 O GLN B 106 -25.316 26.081 18.184 1.00 32.95 O ATOM 1064 CB GLN B 106 -28.277 25.968 17.864 1.00 37.73 C ATOM 1065 CG GLN B 106 -28.824 27.193 17.136 1.00 43.24 C ATOM 1066 CD GLN B 106 -30.312 27.422 17.448 1.00 51.13 C ATOM 1067 OE1 GLN B 106 -31.157 26.520 17.264 1.00 56.01 O ATOM 1068 NE2 GLN B 106 -30.641 28.625 17.926 1.00 51.52 N ATOM 1069 HE22 GLN B 106 -29.907 29.348 18.064 1.00 0.00 H ATOM 1070 HE21 GLN B 106 -31.632 28.839 18.160 1.00 0.00 H ATOM 1071 H GLN B 106 -27.164 23.772 18.742 1.00 0.00 H ATOM 1072 N SER B 107 -25.433 26.349 15.958 1.00 29.95 N ATOM 1073 CA SER B 107 -24.210 27.132 15.855 1.00 29.41 C ATOM 1074 C SER B 107 -24.426 28.357 14.992 1.00 29.71 C ATOM 1075 O SER B 107 -25.287 28.369 14.133 1.00 31.02 O ATOM 1076 CB SER B 107 -23.067 26.315 15.260 1.00 29.39 C ATOM 1077 OG SER B 107 -22.712 25.242 16.086 1.00 31.60 O ATOM 1078 HG SER B 107 -22.423 25.587 16.968 1.00 0.00 H ATOM 1079 H SER B 107 -25.955 26.120 15.088 1.00 0.00 H ATOM 1080 N LEU B 108 -23.608 29.369 15.225 1.00 31.57 N ATOM 1081 CA LEU B 108 -23.701 30.635 14.550 1.00 34.68 C ATOM 1082 C LEU B 108 -22.469 30.836 13.662 1.00 33.12 C ATOM 1083 O LEU B 108 -21.347 30.698 14.117 1.00 30.34 O ATOM 1084 CB LEU B 108 -23.796 31.758 15.582 1.00 38.35 C ATOM 1085 CG LEU B 108 -24.104 33.168 15.046 1.00 42.95 C ATOM 1086 CD1 LEU B 108 -25.571 33.282 14.629 1.00 41.73 C ATOM 1087 CD2 LEU B 108 -23.745 34.229 16.093 1.00 43.38 C ATOM 1088 H LEU B 108 -22.858 29.243 15.934 1.00 0.00 H ATOM 1089 N ILE B 109 -22.703 31.145 12.390 1.00 33.13 N ATOM 1090 CA ILE B 109 -21.639 31.317 11.401 1.00 35.96 C ATOM 1091 C ILE B 109 -21.529 32.798 10.974 1.00 37.45 C ATOM 1092 O ILE B 109 -22.496 33.399 10.504 1.00 34.01 O ATOM 1093 CB ILE B 109 -21.896 30.408 10.171 1.00 36.53 C ATOM 1094 CG1 ILE B 109 -21.909 28.941 10.592 1.00 37.59 C ATOM 1095 CG2 ILE B 109 -20.850 30.635 9.088 1.00 38.11 C ATOM 1096 CD1 ILE B 109 -22.553 28.016 9.583 1.00 38.44 C ATOM 1097 H ILE B 109 -23.689 31.270 12.084 1.00 0.00 H ATOM 1098 N GLU B 110 -20.348 33.369 11.178 1.00 44.67 N ATOM 1099 CA GLU B 110 -19.996 34.721 10.744 1.00 51.82 C ATOM 1100 C GLU B 110 -18.669 34.666 9.968 1.00 56.58 C ATOM 1101 O GLU B 110 -17.685 34.074 10.430 1.00 58.14 O ATOM 1102 CB GLU B 110 -19.844 35.624 11.968 1.00 56.02 C ATOM 1103 CG GLU B 110 -21.164 36.089 12.565 1.00 63.51 C ATOM 1104 CD GLU B 110 -21.071 36.510 14.032 1.00 68.50 C ATOM 1105 OE1 GLU B 110 -20.489 35.758 14.849 1.00 69.74 O ATOM 1106 OE2 GLU B 110 -21.611 37.589 14.373 1.00 70.94 O ATOM 1107 H GLU B 110 -19.624 32.818 11.681 1.00 0.00 H ATOM 1108 N ALA B 111 -18.637 35.253 8.776 1.00 64.61 N ATOM 1109 CA ALA B 111 -17.364 35.479 8.087 1.00 65.41 C ATOM 1110 C ALA B 111 -16.641 36.636 8.789 1.00 62.57 C ATOM 1111 O ALA B 111 -17.275 37.442 9.485 1.00 58.53 O ATOM 1112 CB ALA B 111 -17.578 35.783 6.607 1.00 66.65 C ATOM 1113 H ALA B 111 -19.525 35.555 8.327 1.00 0.00 H ATOM 1114 N ALA B 112 -15.319 36.699 8.624 1.00 61.82 N ATOM 1115 CA ALA B 112 -14.510 37.768 9.223 1.00 60.63 C ATOM 1116 C ALA B 112 -15.090 39.117 8.824 1.00 59.66 C ATOM 1117 O ALA B 112 -15.594 39.258 7.706 1.00 58.65 O ATOM 1118 CB ALA B 112 -13.055 37.668 8.785 1.00 58.39 C ATOM 1119 H ALA B 112 -14.847 35.969 8.054 1.00 0.00 H ATOM 1120 N PRO B 113 -15.022 40.113 9.729 1.00 63.64 N ATOM 1121 CA PRO B 113 -15.682 41.396 9.436 1.00 62.73 C ATOM 1122 C PRO B 113 -15.050 42.201 8.272 1.00 60.75 C ATOM 1123 O PRO B 113 -15.788 42.888 7.553 1.00 59.52 O ATOM 1124 CB PRO B 113 -15.606 42.155 10.771 1.00 64.32 C ATOM 1125 CG PRO B 113 -14.457 41.542 11.517 1.00 65.89 C ATOM 1126 CD PRO B 113 -14.241 40.148 10.986 1.00 65.43 C ATOM 1127 N GLU B 114 -13.732 42.102 8.063 1.00 52.50 N ATOM 1128 CA GLU B 114 -13.091 42.825 6.955 1.00 58.05 C ATOM 1129 C GLU B 114 -13.084 42.062 5.595 1.00 57.50 C ATOM 1130 O GLU B 114 -12.425 42.496 4.653 1.00 57.13 O ATOM 1131 CB GLU B 114 -11.670 43.264 7.344 1.00 55.72 C ATOM 1132 H GLU B 114 -13.155 41.507 8.691 1.00 0.00 H ATOM 1133 N SER B 115 -13.824 40.951 5.494 1.00 53.65 N ATOM 1134 CA SER B 115 -13.940 40.170 4.241 1.00 47.60 C ATOM 1135 C SER B 115 -15.140 40.648 3.387 1.00 42.55 C ATOM 1136 O SER B 115 -16.199 40.930 3.925 1.00 40.78 O ATOM 1137 CB SER B 115 -14.079 38.669 4.555 1.00 41.65 C ATOM 1138 H SER B 115 -14.341 40.621 6.334 1.00 0.00 H ATOM 1139 N GLN B 116 -14.943 40.747 2.070 1.00 39.84 N ATOM 1140 CA GLN B 116 -16.014 41.063 1.093 1.00 39.18 C ATOM 1141 C GLN B 116 -16.277 39.851 0.171 1.00 37.94 C ATOM 1142 O GLN B 116 -15.375 39.349 -0.516 1.00 38.98 O ATOM 1143 CB GLN B 116 -15.644 42.296 0.252 1.00 36.11 C ATOM 1144 H GLN B 116 -13.981 40.593 1.707 1.00 0.00 H ATOM 1145 N MET B 117 -17.526 39.404 0.150 1.00 35.72 N ATOM 1146 CA MET B 117 -17.915 38.196 -0.547 1.00 34.07 C ATOM 1147 C MET B 117 -17.822 38.352 -2.064 1.00 30.43 C ATOM 1148 O MET B 117 -18.215 39.363 -2.612 1.00 29.84 O ATOM 1149 CB MET B 117 -19.362 37.853 -0.184 1.00 36.82 C ATOM 1150 CG MET B 117 -19.621 37.592 1.296 1.00 39.04 C ATOM 1151 SD MET B 117 -18.753 36.139 1.919 1.00 42.37 S ATOM 1152 CE MET B 117 -17.236 36.890 2.527 1.00 42.71 C ATOM 1153 H MET B 117 -18.257 39.944 0.656 1.00 0.00 H ATOM 1154 N MET B 118 -17.311 37.325 -2.734 1.00 26.59 N ATOM 1155 CA MET B 118 -17.356 37.257 -4.193 1.00 23.95 C ATOM 1156 C MET B 118 -18.793 37.008 -4.649 1.00 21.38 C ATOM 1157 O MET B 118 -19.588 36.476 -3.902 1.00 19.26 O ATOM 1158 CB MET B 118 -16.457 36.129 -4.706 1.00 23.27 C ATOM 1159 CG MET B 118 -14.996 36.523 -4.837 1.00 22.72 C ATOM 1160 SD MET B 118 -14.017 35.096 -5.335 1.00 23.52 S ATOM 1161 CE MET B 118 -13.719 34.328 -3.736 1.00 22.72 C ATOM 1162 H MET B 118 -16.866 36.548 -2.205 1.00 0.00 H ATOM 1163 N PRO B 119 -19.129 37.399 -5.887 1.00 19.47 N ATOM 1164 CA PRO B 119 -20.484 37.120 -6.372 1.00 17.34 C ATOM 1165 C PRO B 119 -20.757 35.624 -6.445 1.00 16.73 C ATOM 1166 O PRO B 119 -19.836 34.823 -6.671 1.00 15.55 O ATOM 1167 CB PRO B 119 -20.511 37.737 -7.782 1.00 18.25 C ATOM 1168 CG PRO B 119 -19.216 38.472 -7.976 1.00 18.09 C ATOM 1169 CD PRO B 119 -18.276 38.084 -6.880 1.00 18.98 C ATOM 1170 N ALA B 120 -22.027 35.275 -6.275 1.00 16.15 N ATOM 1171 CA ALA B 120 -22.510 33.903 -6.323 1.00 16.39 C ATOM 1172 C ALA B 120 -22.098 33.243 -7.618 1.00 16.77 C ATOM 1173 O ALA B 120 -21.722 32.039 -7.654 1.00 18.43 O ATOM 1174 CB ALA B 120 -24.025 33.889 -6.205 1.00 16.45 C ATOM 1175 H ALA B 120 -22.720 36.030 -6.096 1.00 0.00 H ATOM 1176 N SER B 121 -22.150 34.035 -8.684 1.00 15.23 N ATOM 1177 CA SER B 121 -21.896 33.514 -10.028 1.00 14.68 C ATOM 1178 C SER B 121 -20.451 33.009 -10.168 1.00 13.76 C ATOM 1179 O SER B 121 -20.189 32.062 -10.858 1.00 13.57 O ATOM 1180 CB SER B 121 -22.261 34.598 -11.089 1.00 14.08 C ATOM 1181 OG SER B 121 -21.282 35.636 -11.149 1.00 13.26 O ATOM 1182 HG SER B 121 -20.405 35.247 -11.392 1.00 0.00 H ATOM 1183 H SER B 121 -22.375 35.043 -8.561 1.00 0.00 H ATOM 1184 N VAL B 122 -19.517 33.649 -9.491 1.00 14.08 N ATOM 1185 CA VAL B 122 -18.116 33.188 -9.442 1.00 14.00 C ATOM 1186 C VAL B 122 -17.931 31.977 -8.523 1.00 14.66 C ATOM 1187 O VAL B 122 -17.169 31.034 -8.841 1.00 15.14 O ATOM 1188 CB VAL B 122 -17.207 34.336 -8.968 1.00 13.87 C ATOM 1189 CG1 VAL B 122 -15.771 33.880 -8.722 1.00 13.65 C ATOM 1190 CG2 VAL B 122 -17.238 35.463 -9.992 1.00 14.07 C ATOM 1191 H VAL B 122 -19.778 34.512 -8.972 1.00 0.00 H ATOM 1192 N LEU B 123 -18.614 32.020 -7.380 1.00 15.38 N ATOM 1193 CA LEU B 123 -18.459 31.030 -6.326 1.00 16.08 C ATOM 1194 C LEU B 123 -19.081 29.693 -6.692 1.00 16.46 C ATOM 1195 O LEU B 123 -18.616 28.646 -6.273 1.00 17.16 O ATOM 1196 CB LEU B 123 -19.104 31.546 -5.025 1.00 16.66 C ATOM 1197 CG LEU B 123 -18.373 32.696 -4.347 1.00 17.39 C ATOM 1198 CD1 LEU B 123 -19.212 33.230 -3.208 1.00 18.41 C ATOM 1199 CD2 LEU B 123 -16.986 32.273 -3.853 1.00 17.51 C ATOM 1200 H LEU B 123 -19.289 32.797 -7.235 1.00 0.00 H ATOM 1201 N THR B 124 -20.131 29.721 -7.491 1.00 16.92 N ATOM 1202 CA THR B 124 -20.938 28.533 -7.642 1.00 17.00 C ATOM 1203 C THR B 124 -20.204 27.383 -8.324 1.00 16.44 C ATOM 1204 O THR B 124 -19.644 27.532 -9.422 1.00 17.01 O ATOM 1205 CB THR B 124 -22.304 28.859 -8.300 1.00 17.27 C ATOM 1206 OG1 THR B 124 -23.160 27.711 -8.151 1.00 17.73 O ATOM 1207 CG2 THR B 124 -22.143 29.229 -9.759 1.00 17.36 C ATOM 1208 HG1 THR B 124 -24.039 27.900 -8.566 1.00 0.00 H ATOM 1209 H THR B 124 -20.375 30.590 -8.007 1.00 0.00 H ATOM 1210 N GLY B 125 -20.184 26.229 -7.660 1.00 15.45 N ATOM 1211 CA GLY B 125 -19.471 25.057 -8.165 1.00 14.02 C ATOM 1212 C GLY B 125 -18.001 25.057 -7.780 1.00 14.21 C ATOM 1213 O GLY B 125 -17.315 24.051 -7.915 1.00 13.27 O ATOM 1214 H GLY B 125 -20.691 26.159 -6.755 1.00 0.00 H ATOM 1215 N ASN B 126 -17.515 26.179 -7.273 1.00 14.43 N ATOM 1216 CA ASN B 126 -16.105 26.329 -6.910 1.00 15.32 C ATOM 1217 C ASN B 126 -15.819 26.343 -5.409 1.00 15.47 C ATOM 1218 O ASN B 126 -14.665 26.452 -5.034 1.00 16.74 O ATOM 1219 CB ASN B 126 -15.562 27.630 -7.529 1.00 15.33 C ATOM 1220 CG ASN B 126 -15.491 27.558 -9.043 1.00 15.37 C ATOM 1221 OD1 ASN B 126 -15.041 26.569 -9.603 1.00 15.60 O ATOM 1222 ND2 ASN B 126 -15.961 28.592 -9.707 1.00 16.43 N ATOM 1223 HD22 ASN B 126 -16.335 29.414 -9.192 1.00 0.00 H ATOM 1224 HD21 ASN B 126 -15.958 28.587 -10.747 1.00 0.00 H ATOM 1225 H ASN B 126 -18.158 26.983 -7.127 1.00 0.00 H ATOM 1226 N VAL B 127 -16.858 26.266 -4.572 1.00 14.97 N ATOM 1227 CA VAL B 127 -16.712 26.224 -3.132 1.00 14.89 C ATOM 1228 C VAL B 127 -16.867 24.773 -2.650 1.00 15.49 C ATOM 1229 O VAL B 127 -17.870 24.108 -2.942 1.00 15.04 O ATOM 1230 CB VAL B 127 -17.762 27.108 -2.420 1.00 15.05 C ATOM 1231 CG1 VAL B 127 -17.641 26.986 -0.895 1.00 15.08 C ATOM 1232 CG2 VAL B 127 -17.619 28.560 -2.823 1.00 15.33 C ATOM 1233 H VAL B 127 -17.817 26.235 -4.974 1.00 0.00 H ATOM 1234 N ILE B 128 -15.863 24.292 -1.926 1.00 16.49 N ATOM 1235 CA ILE B 128 -15.920 23.014 -1.221 1.00 17.70 C ATOM 1236 C ILE B 128 -15.867 23.359 0.276 1.00 17.62 C ATOM 1237 O ILE B 128 -15.014 24.174 0.723 1.00 16.58 O ATOM 1238 CB ILE B 128 -14.731 22.110 -1.579 1.00 19.17 C ATOM 1239 CG1 ILE B 128 -14.841 21.553 -2.992 1.00 20.94 C ATOM 1240 CG2 ILE B 128 -14.639 20.930 -0.638 1.00 20.44 C ATOM 1241 CD1 ILE B 128 -15.805 20.388 -3.113 1.00 22.02 C ATOM 1242 H ILE B 128 -14.991 24.854 -1.857 1.00 0.00 H ATOM 1243 N ILE B 129 -16.781 22.775 1.048 1.00 17.33 N ATOM 1244 CA ILE B 129 -16.677 22.846 2.511 1.00 17.03 C ATOM 1245 C ILE B 129 -16.074 21.533 2.983 1.00 18.08 C ATOM 1246 O ILE B 129 -16.632 20.466 2.712 1.00 18.08 O ATOM 1247 CB ILE B 129 -18.019 23.053 3.215 1.00 16.41 C ATOM 1248 CG1 ILE B 129 -18.839 24.135 2.529 1.00 15.68 C ATOM 1249 CG2 ILE B 129 -17.778 23.393 4.693 1.00 16.46 C ATOM 1250 CD1 ILE B 129 -18.193 25.498 2.545 1.00 15.70 C ATOM 1251 H ILE B 129 -17.575 22.264 0.611 1.00 0.00 H ATOM 1252 N GLU B 130 -14.926 21.599 3.648 1.00 19.00 N ATOM 1253 CA GLU B 130 -14.328 20.410 4.245 1.00 20.92 C ATOM 1254 C GLU B 130 -14.653 20.379 5.750 1.00 20.97 C ATOM 1255 O GLU B 130 -14.276 21.292 6.476 1.00 20.51 O ATOM 1256 CB GLU B 130 -12.819 20.398 4.029 1.00 22.69 C ATOM 1257 CG GLU B 130 -12.147 19.208 4.682 1.00 25.91 C ATOM 1258 CD GLU B 130 -10.637 19.351 4.775 1.00 28.85 C ATOM 1259 OE1 GLU B 130 -10.150 20.123 5.651 1.00 31.72 O ATOM 1260 OE2 GLU B 130 -9.949 18.666 3.985 1.00 30.53 O ATOM 1261 H GLU B 130 -14.444 22.516 3.745 1.00 0.00 H ATOM 1262 N THR B 131 -15.340 19.330 6.212 1.00 21.19 N ATOM 1263 CA THR B 131 -15.697 19.203 7.615 1.00 21.53 C ATOM 1264 C THR B 131 -14.973 18.025 8.258 1.00 22.82 C ATOM 1265 O THR B 131 -15.048 16.895 7.770 1.00 24.08 O ATOM 1266 CB THR B 131 -17.205 19.023 7.772 1.00 21.62 C ATOM 1267 OG1 THR B 131 -17.864 20.174 7.243 1.00 20.72 O ATOM 1268 CG2 THR B 131 -17.583 18.868 9.239 1.00 23.07 C ATOM 1269 HG1 THR B 131 -17.636 20.272 6.285 1.00 0.00 H ATOM 1270 H THR B 131 -15.628 18.583 5.548 1.00 0.00 H ATOM 1271 N LYS B 132 -14.275 18.291 9.365 1.00 24.02 N ATOM 1272 CA LYS B 132 -13.655 17.231 10.172 1.00 22.25 C ATOM 1273 C LYS B 132 -14.403 17.058 11.504 1.00 21.17 C ATOM 1274 O LYS B 132 -14.644 18.030 12.219 1.00 18.39 O ATOM 1275 CB LYS B 132 -12.215 17.570 10.449 1.00 23.51 C ATOM 1276 CG LYS B 132 -11.265 17.371 9.288 1.00 25.24 C ATOM 1277 CD LYS B 132 -9.866 17.758 9.750 1.00 28.56 C ATOM 1278 CE LYS B 132 -8.937 18.145 8.607 1.00 32.76 C ATOM 1279 NZ LYS B 132 -8.618 16.931 7.804 1.00 36.41 N ATOM 1280 HZ1 LYS B 132 -8.151 16.228 8.412 1.00 0.00 H ATOM 1281 HZ2 LYS B 132 -9.497 16.530 7.420 1.00 0.00 H ATOM 1282 HZ3 LYS B 132 -7.984 17.191 7.022 1.00 0.00 H ATOM 1283 H LYS B 132 -14.167 19.281 9.666 1.00 0.00 H ATOM 1284 N PHE B 133 -14.766 15.812 11.813 1.00 21.80 N ATOM 1285 CA PHE B 133 -15.487 15.456 13.038 1.00 22.59 C ATOM 1286 C PHE B 133 -14.485 14.901 14.019 1.00 22.25 C ATOM 1287 O PHE B 133 -13.754 13.949 13.709 1.00 20.49 O ATOM 1288 CB PHE B 133 -16.573 14.390 12.791 1.00 23.51 C ATOM 1289 CG PHE B 133 -17.656 14.848 11.861 1.00 24.85 C ATOM 1290 CD1 PHE B 133 -17.413 14.969 10.502 1.00 26.68 C ATOM 1291 CD2 PHE B 133 -18.913 15.189 12.345 1.00 26.38 C ATOM 1292 CE1 PHE B 133 -18.410 15.425 9.648 1.00 29.04 C ATOM 1293 CE2 PHE B 133 -19.912 15.635 11.501 1.00 25.96 C ATOM 1294 CZ PHE B 133 -19.663 15.765 10.157 1.00 27.01 C ATOM 1295 H PHE B 133 -14.524 15.051 11.147 1.00 0.00 H ATOM 1296 N PHE B 134 -14.459 15.497 15.209 1.00 21.64 N ATOM 1297 CA PHE B 134 -13.534 15.077 16.242 1.00 21.75 C ATOM 1298 C PHE B 134 -14.259 14.733 17.531 1.00 21.32 C ATOM 1299 O PHE B 134 -15.236 15.389 17.896 1.00 20.02 O ATOM 1300 CB PHE B 134 -12.548 16.215 16.560 1.00 21.15 C ATOM 1301 CG PHE B 134 -11.456 16.424 15.541 1.00 20.04 C ATOM 1302 CD1 PHE B 134 -10.253 15.763 15.660 1.00 20.41 C ATOM 1303 CD2 PHE B 134 -11.596 17.384 14.520 1.00 20.32 C ATOM 1304 CE1 PHE B 134 -9.197 15.991 14.756 1.00 20.33 C ATOM 1305 CE2 PHE B 134 -10.559 17.620 13.623 1.00 20.26 C ATOM 1306 CZ PHE B 134 -9.356 16.922 13.738 1.00 20.40 C ATOM 1307 H PHE B 134 -15.116 16.280 15.401 1.00 0.00 H ATOM 1308 N ASP B 135 -13.753 13.722 18.229 1.00 23.01 N ATOM 1309 CA ASP B 135 -13.942 13.617 19.685 1.00 23.88 C ATOM 1310 C ASP B 135 -12.610 14.044 20.258 1.00 24.66 C ATOM 1311 O ASP B 135 -11.632 13.297 20.167 1.00 23.12 O ATOM 1312 CB ASP B 135 -14.255 12.194 20.131 1.00 24.63 C ATOM 1313 CG ASP B 135 -14.465 12.083 21.652 1.00 23.66 C ATOM 1314 OD1 ASP B 135 -14.490 13.135 22.318 1.00 22.91 O ATOM 1315 OD2 ASP B 135 -14.620 10.951 22.162 1.00 22.01 O ATOM 1316 H ASP B 135 -13.210 12.986 17.734 1.00 0.00 H ATOM 1317 N ASP B 136 -12.552 15.260 20.784 1.00 26.20 N ATOM 1318 CA ASP B 136 -11.294 15.834 21.251 1.00 29.28 C ATOM 1319 C ASP B 136 -10.216 15.909 20.162 1.00 30.29 C ATOM 1320 O ASP B 136 -10.333 16.718 19.246 1.00 26.97 O ATOM 1321 CB ASP B 136 -10.800 15.091 22.504 1.00 33.22 C ATOM 1322 CG ASP B 136 -9.846 15.926 23.336 1.00 37.79 C ATOM 1323 OD1 ASP B 136 -10.231 17.047 23.704 1.00 44.15 O ATOM 1324 OD2 ASP B 136 -8.721 15.473 23.631 1.00 43.20 O ATOM 1325 H ASP B 136 -13.425 15.819 20.866 1.00 0.00 H ATOM 1326 N ASP B 137 -9.165 15.085 20.277 1.00 34.04 N ATOM 1327 CA ASP B 137 -8.036 15.058 19.335 1.00 35.30 C ATOM 1328 C ASP B 137 -8.240 13.981 18.303 1.00 32.95 C ATOM 1329 O ASP B 137 -7.484 13.869 17.360 1.00 32.99 O ATOM 1330 CB ASP B 137 -6.722 14.746 20.069 1.00 40.77 C ATOM 1331 CG ASP B 137 -6.786 13.412 20.875 1.00 47.04 C ATOM 1332 OD1 ASP B 137 -7.549 13.353 21.875 1.00 47.73 O ATOM 1333 OD2 ASP B 137 -6.084 12.423 20.515 1.00 51.89 O ATOM 1334 H ASP B 137 -9.147 14.425 21.081 1.00 0.00 H ATOM 1335 N LEU B 138 -9.268 13.173 18.502 1.00 31.91 N ATOM 1336 CA LEU B 138 -9.498 11.981 17.710 1.00 29.83 C ATOM 1337 C LEU B 138 -10.339 12.310 16.487 1.00 28.77 C ATOM 1338 O LEU B 138 -11.489 12.726 16.630 1.00 26.33 O ATOM 1339 CB LEU B 138 -10.255 10.992 18.577 1.00 30.63 C ATOM 1340 CG LEU B 138 -10.257 9.549 18.161 1.00 31.82 C ATOM 1341 CD1 LEU B 138 -8.871 8.973 18.379 1.00 31.89 C ATOM 1342 CD2 LEU B 138 -11.309 8.837 19.008 1.00 32.00 C ATOM 1343 H LEU B 138 -9.941 13.403 19.260 1.00 0.00 H ATOM 1344 N LEU B 139 -9.757 12.126 15.296 1.00 29.48 N ATOM 1345 CA LEU B 139 -10.431 12.409 14.016 1.00 26.45 C ATOM 1346 C LEU B 139 -11.303 11.240 13.635 1.00 25.10 C ATOM 1347 O LEU B 139 -10.830 10.130 13.438 1.00 24.38 O ATOM 1348 CB LEU B 139 -9.425 12.689 12.905 1.00 25.61 C ATOM 1349 CG LEU B 139 -9.945 12.955 11.487 1.00 25.57 C ATOM 1350 CD1 LEU B 139 -10.762 14.236 11.415 1.00 24.54 C ATOM 1351 CD2 LEU B 139 -8.739 13.032 10.565 1.00 25.87 C ATOM 1352 H LEU B 139 -8.782 11.766 15.272 1.00 0.00 H ATOM 1353 N VAL B 140 -12.589 11.518 13.511 1.00 24.38 N ATOM 1354 CA VAL B 140 -13.589 10.505 13.295 1.00 24.11 C ATOM 1355 C VAL B 140 -13.931 10.376 11.813 1.00 25.72 C ATOM 1356 O VAL B 140 -14.140 9.276 11.299 1.00 28.48 O ATOM 1357 CB VAL B 140 -14.839 10.856 14.117 1.00 24.24 C ATOM 1358 CG1 VAL B 140 -15.969 9.870 13.882 1.00 24.36 C ATOM 1359 CG2 VAL B 140 -14.482 10.919 15.600 1.00 24.61 C ATOM 1360 H VAL B 140 -12.892 12.511 13.572 1.00 0.00 H ATOM 1361 N SER B 141 -13.981 11.504 11.127 1.00 25.57 N ATOM 1362 CA SER B 141 -14.567 11.583 9.811 1.00 24.27 C ATOM 1363 C SER B 141 -14.115 12.869 9.162 1.00 23.50 C ATOM 1364 O SER B 141 -14.037 13.913 9.816 1.00 22.70 O ATOM 1365 CB SER B 141 -16.087 11.613 9.932 1.00 25.10 C ATOM 1366 OG SER B 141 -16.715 11.851 8.672 1.00 27.14 O ATOM 1367 HG SER B 141 -17.698 11.863 8.791 1.00 0.00 H ATOM 1368 H SER B 141 -13.583 12.366 11.551 1.00 0.00 H ATOM 1369 N THR B 142 -13.826 12.783 7.875 1.00 23.06 N ATOM 1370 CA THR B 142 -13.605 13.962 7.042 1.00 23.12 C ATOM 1371 C THR B 142 -14.544 13.887 5.840 1.00 22.54 C ATOM 1372 O THR B 142 -14.530 12.895 5.117 1.00 21.46 O ATOM 1373 CB THR B 142 -12.133 14.034 6.606 1.00 21.99 C ATOM 1374 OG1 THR B 142 -11.325 14.007 7.780 1.00 21.79 O ATOM 1375 CG2 THR B 142 -11.852 15.309 5.874 1.00 22.35 C ATOM 1376 HG1 THR B 142 -11.495 13.168 8.277 1.00 0.00 H ATOM 1377 H THR B 142 -13.753 11.841 7.440 1.00 0.00 H ATOM 1378 N SER B 143 -15.377 14.917 5.672 1.00 22.20 N ATOM 1379 CA SER B 143 -16.354 14.971 4.592 1.00 21.08 C ATOM 1380 C SER B 143 -16.214 16.269 3.766 1.00 21.73 C ATOM 1381 O SER B 143 -15.693 17.306 4.248 1.00 20.44 O ATOM 1382 CB SER B 143 -17.761 14.844 5.162 1.00 21.50 C ATOM 1383 OG SER B 143 -18.244 16.078 5.668 1.00 22.27 O ATOM 1384 HG SER B 143 -19.158 15.951 6.027 1.00 0.00 H ATOM 1385 H SER B 143 -15.327 15.713 6.339 1.00 0.00 H ATOM 1386 N ARG B 144 -16.662 16.197 2.518 1.00 21.77 N ATOM 1387 CA ARG B 144 -16.622 17.331 1.591 1.00 23.20 C ATOM 1388 C ARG B 144 -17.980 17.557 0.948 1.00 20.76 C ATOM 1389 O ARG B 144 -18.623 16.606 0.521 1.00 20.05 O ATOM 1390 CB ARG B 144 -15.593 17.074 0.502 1.00 25.61 C ATOM 1391 CG ARG B 144 -14.182 17.240 0.996 1.00 28.89 C ATOM 1392 CD ARG B 144 -13.140 16.747 0.015 1.00 32.42 C ATOM 1393 NE ARG B 144 -11.829 16.880 0.657 1.00 40.69 N ATOM 1394 CZ ARG B 144 -11.300 16.027 1.552 1.00 43.90 C ATOM 1395 NH1 ARG B 144 -11.934 14.911 1.925 1.00 44.81 N ATOM 1396 NH2 ARG B 144 -10.108 16.287 2.078 1.00 46.03 N ATOM 1397 HE ARG B 144 -11.257 17.708 0.397 1.00 0.00 H ATOM 1398 HH12 ARG B 144 -11.497 14.272 2.620 1.00 0.00 H ATOM 1399 HH11 ARG B 144 -12.864 14.681 1.520 1.00 0.00 H ATOM 1400 HH22 ARG B 144 -9.691 15.633 2.771 1.00 0.00 H ATOM 1401 HH21 ARG B 144 -9.591 17.145 1.797 1.00 0.00 H ATOM 1402 H ARG B 144 -17.059 15.296 2.184 1.00 0.00 H ATOM 1403 N VAL B 145 -18.403 18.808 0.889 1.00 20.02 N ATOM 1404 CA VAL B 145 -19.612 19.199 0.162 1.00 20.67 C ATOM 1405 C VAL B 145 -19.296 20.309 -0.841 1.00 20.38 C ATOM 1406 O VAL B 145 -18.726 21.326 -0.465 1.00 19.20 O ATOM 1407 CB VAL B 145 -20.706 19.771 1.087 1.00 20.93 C ATOM 1408 CG1 VAL B 145 -22.011 19.883 0.302 1.00 21.41 C ATOM 1409 CG2 VAL B 145 -20.905 18.897 2.314 1.00 22.07 C ATOM 1410 H VAL B 145 -17.855 19.544 1.379 1.00 0.00 H ATOM 1411 N ARG B 146 -19.689 20.134 -2.100 1.00 20.87 N ATOM 1412 CA ARG B 146 -19.542 21.211 -3.075 1.00 20.55 C ATOM 1413 C ARG B 146 -20.820 22.041 -3.070 1.00 19.33 C ATOM 1414 O ARG B 146 -21.919 21.490 -2.997 1.00 18.48 O ATOM 1415 CB ARG B 146 -19.242 20.651 -4.462 1.00 21.48 C ATOM 1416 CG ARG B 146 -18.971 21.719 -5.528 1.00 22.78 C ATOM 1417 CD ARG B 146 -18.718 21.094 -6.896 1.00 24.52 C ATOM 1418 NE ARG B 146 -17.558 20.195 -6.849 1.00 26.28 N ATOM 1419 CZ ARG B 146 -16.276 20.599 -6.881 1.00 28.26 C ATOM 1420 NH1 ARG B 146 -15.946 21.903 -6.952 1.00 27.29 N ATOM 1421 NH2 ARG B 146 -15.304 19.691 -6.830 1.00 28.42 N ATOM 1422 HE ARG B 146 -17.741 19.173 -6.787 1.00 0.00 H ATOM 1423 HH12 ARG B 146 -14.945 22.186 -6.975 1.00 0.00 H ATOM 1424 HH11 ARG B 146 -16.692 22.627 -6.984 1.00 0.00 H ATOM 1425 HH22 ARG B 146 -14.309 19.993 -6.854 1.00 0.00 H ATOM 1426 HH21 ARG B 146 -15.540 18.680 -6.766 1.00 0.00 H ATOM 1427 H ARG B 146 -20.103 19.225 -2.391 1.00 0.00 H ATOM 1428 N LEU B 147 -20.673 23.363 -3.141 1.00 18.85 N ATOM 1429 CA LEU B 147 -21.814 24.264 -3.038 1.00 19.46 C ATOM 1430 C LEU B 147 -22.133 24.951 -4.372 1.00 17.95 C ATOM 1431 O LEU B 147 -21.257 25.306 -5.118 1.00 16.50 O ATOM 1432 CB LEU B 147 -21.600 25.313 -1.939 1.00 21.23 C ATOM 1433 CG LEU B 147 -21.273 24.809 -0.522 1.00 23.41 C ATOM 1434 CD1 LEU B 147 -21.288 25.951 0.489 1.00 24.50 C ATOM 1435 CD2 LEU B 147 -22.268 23.757 -0.086 1.00 24.39 C ATOM 1436 H LEU B 147 -19.722 23.762 -3.273 1.00 0.00 H ATOM 1437 N PHE B 148 -23.424 25.096 -4.626 1.00 17.99 N ATOM 1438 CA PHE B 148 -23.956 25.772 -5.776 1.00 18.23 C ATOM 1439 C PHE B 148 -24.875 26.824 -5.182 1.00 18.41 C ATOM 1440 O PHE B 148 -25.659 26.542 -4.271 1.00 17.14 O ATOM 1441 CB PHE B 148 -24.717 24.789 -6.695 1.00 17.90 C ATOM 1442 CG PHE B 148 -23.850 23.669 -7.231 1.00 18.39 C ATOM 1443 CD1 PHE B 148 -22.894 23.921 -8.210 1.00 18.15 C ATOM 1444 CD2 PHE B 148 -23.967 22.364 -6.739 1.00 19.44 C ATOM 1445 CE1 PHE B 148 -22.061 22.920 -8.691 1.00 17.69 C ATOM 1446 CE2 PHE B 148 -23.138 21.338 -7.220 1.00 19.59 C ATOM 1447 CZ PHE B 148 -22.181 21.621 -8.197 1.00 19.51 C ATOM 1448 H PHE B 148 -24.100 24.693 -3.946 1.00 0.00 H ATOM 1449 N TYR B 149 -24.742 28.037 -5.690 1.00 19.81 N ATOM 1450 CA TYR B 149 -25.503 29.186 -5.225 1.00 21.18 C ATOM 1451 C TYR B 149 -26.592 29.493 -6.275 1.00 23.00 C ATOM 1452 O TYR B 149 -26.265 29.819 -7.410 1.00 24.03 O ATOM 1453 CB TYR B 149 -24.532 30.374 -5.014 1.00 20.40 C ATOM 1454 CG TYR B 149 -23.483 30.108 -3.932 1.00 20.48 C ATOM 1455 CD1 TYR B 149 -23.764 30.364 -2.574 1.00 20.71 C ATOM 1456 CD2 TYR B 149 -22.223 29.550 -4.252 1.00 20.39 C ATOM 1457 CE1 TYR B 149 -22.822 30.103 -1.577 1.00 20.52 C ATOM 1458 CE2 TYR B 149 -21.283 29.285 -3.259 1.00 19.69 C ATOM 1459 CZ TYR B 149 -21.583 29.584 -1.923 1.00 20.39 C ATOM 1460 OH TYR B 149 -20.670 29.333 -0.918 1.00 20.51 O ATOM 1461 HH TYR B 149 -21.055 29.607 -0.048 1.00 0.00 H ATOM 1462 H TYR B 149 -24.059 28.177 -6.461 1.00 0.00 H ATOM 1463 N VAL B 150 -27.870 29.367 -5.898 1.00 24.91 N ATOM 1464 CA VAL B 150 -28.987 29.310 -6.865 1.00 27.38 C ATOM 1465 C VAL B 150 -30.110 30.335 -6.660 1.00 27.27 C ATOM 1466 O VAL B 150 -30.189 30.987 -5.620 1.00 30.70 O ATOM 1467 CB VAL B 150 -29.621 27.910 -6.896 1.00 27.77 C ATOM 1468 CG1 VAL B 150 -28.542 26.862 -7.065 1.00 28.68 C ATOM 1469 CG2 VAL B 150 -30.437 27.652 -5.630 1.00 28.80 C ATOM 1470 H VAL B 150 -28.086 29.307 -4.883 1.00 0.00 H TER 1471 VAL B 150 HETATM 1472 O HOH 1 -17.593 13.364 1.950 1.00 14.78 O HETATM 1473 O HOH 2 -30.471 8.412 13.280 1.00 29.92 O HETATM 1474 O HOH 3 -30.682 27.184 11.714 1.00 32.56 O HETATM 1475 O HOH 4 -13.868 12.388 2.743 1.00 27.58 O HETATM 1476 O HOH 5 -13.077 6.989 11.470 1.00 32.84 O HETATM 1477 O HOH 6 -19.285 34.848 -12.600 1.00 21.76 O HETATM 1478 O HOH 7 -25.009 15.127 -2.482 1.00 27.41 O HETATM 1479 O HOH 8 -21.324 6.911 17.537 1.00 18.03 O HETATM 1480 O HOH 9 -29.729 11.620 7.067 1.00 26.21 O HETATM 1481 O HOH 10 -15.176 8.351 22.626 1.00 30.88 O HETATM 1482 O HOH 11 -18.237 19.222 4.495 1.00 23.84 O HETATM 1483 O HOH 12 -21.434 6.038 9.823 1.00 23.44 O HETATM 1484 O HOH 13 -10.998 11.316 7.958 1.00 26.73 O HETATM 1485 O HOH 14 -23.769 2.615 23.199 1.00 18.50 O HETATM 1486 O HOH 15 -34.695 19.789 17.894 1.00 30.28 O HETATM 1487 O HOH 16 -13.066 22.317 16.854 1.00 25.20 O HETATM 1488 O HOH 17 -24.808 23.626 14.198 1.00 34.67 O HETATM 1489 O HOH 18 -25.821 13.959 24.538 1.00 27.06 O HETATM 1490 O HOH 19 -21.093 26.139 18.154 1.00 28.29 O HETATM 1491 O HOH 20 -20.266 1.649 16.732 1.00 33.76 O HETATM 1492 O HOH 21 -19.314 4.451 23.545 1.00 11.83 O HETATM 1493 O HOH 22 -30.199 37.539 2.221 1.00 33.23 O HETATM 1494 O HOH 23 -35.119 21.757 9.127 1.00 48.10 O HETATM 1495 O HOH 24 -22.953 18.426 25.640 1.00 37.83 O HETATM 1496 O HOH 25 -14.966 33.405 10.977 1.00 38.71 O HETATM 1497 O HOH 26 -26.931 6.301 15.408 1.00 33.71 O HETATM 1498 O HOH 27 -22.897 37.711 -12.374 1.00 32.04 O HETATM 1499 O HOH 28 -9.731 31.447 9.162 1.00 31.23 O HETATM 1500 O HOH 29 -29.189 20.971 -1.367 1.00 14.48 O HETATM 1501 O HOH 30 -22.075 31.351 -13.007 1.00 19.14 O HETATM 1502 O HOH 31 -26.819 23.817 20.646 1.00 31.48 O HETATM 1503 O HOH 32 -23.898 36.415 -8.791 1.00 19.47 O HETATM 1504 O HOH 33 -17.661 0.344 21.372 1.00 31.31 O HETATM 1505 O HOH 34 -18.989 26.305 19.297 1.00 20.44 O HETATM 1506 O HOH 35 -24.090 1.102 12.813 1.00 24.44 O HETATM 1507 O HOH 36 -32.534 16.644 1.633 1.00 35.28 O HETATM 1508 O HOH 37 -12.300 24.280 -3.737 1.00 26.49 O HETATM 1509 O HOH 38 -33.869 23.577 1.288 1.00 28.90 O HETATM 1510 O HOH 39 -29.544 39.713 7.095 1.00 41.70 O HETATM 1511 O HOH 40 -4.987 27.216 1.118 1.00 33.58 O HETATM 1512 O HOH 41 -31.045 7.636 19.982 1.00 43.06 O HETATM 1513 O HOH 42 -20.198 19.098 27.602 1.00 35.46 O HETATM 1514 O HOH 43 -24.145 37.318 -5.457 1.00 27.03 O HETATM 1515 O HOH 44 -19.709 41.301 1.245 1.00 34.47 O HETATM 1516 O HOH 45 -9.411 21.595 9.599 1.00 34.19 O HETATM 1517 O HOH 46 -31.655 33.832 -3.239 1.00 27.89 O HETATM 1518 O HOH 47 -25.498 16.124 26.044 1.00 37.91 O HETATM 1519 O HOH 48 -12.917 9.826 7.004 1.00 25.16 O HETATM 1520 O HOH 49 -13.112 23.421 -6.111 1.00 26.84 O HETATM 1521 O HOH 50 -33.406 13.265 22.963 1.00 37.72 O HETATM 1522 O HOH 51 -27.279 5.512 27.929 1.00 37.72 O HETATM 1523 O HOH 52 -15.840 40.417 -5.088 1.00 37.35 O HETATM 1524 O HOH 53 -16.244 5.600 26.091 1.00 22.06 O HETATM 1525 O HOH 54 -16.662 1.163 23.801 1.00 30.40 O HETATM 1526 O HOH 55 -14.393 26.705 19.399 1.00 38.82 O HETATM 1527 O HOH 56 -30.667 14.470 24.588 1.00 34.67 O HETATM 1528 O HOH 57 -6.135 14.176 8.698 1.00 38.20 O HETATM 1529 O HOH 58 -36.361 25.308 2.228 1.00 37.52 O HETATM 1530 O HOH 59 -10.303 20.395 -0.984 1.00 35.38 O HETATM 1531 O HOH 60 -31.775 23.276 20.131 1.00 31.38 O HETATM 1532 O HOH 61 -30.529 1.474 23.643 1.00 41.94 O HETATM 1533 O HOH 62 -30.569 9.919 25.872 1.00 37.41 O HETATM 1534 O HOH 63 -26.959 37.269 15.818 1.00 38.93 O HETATM 1535 CBT RRQ A 64 -15.073 33.712 3.961 1.00 0.01 C HETATM 1536 NBP RRQ A 64 -15.350 33.664 2.509 1.00 -0.32 N HETATM 1537 CBL RRQ A 64 -16.498 33.108 2.075 1.00 0.05 C HETATM 1538 CBK RRQ A 64 -17.197 32.167 2.842 1.00 -0.04 C HETATM 1539 CBJ RRQ A 64 -18.389 31.584 2.399 1.00 -0.03 C HETATM 1540 CBO RRQ A 64 -18.870 31.957 1.146 1.00 -0.07 C HETATM 1541 CBN RRQ A 64 -18.172 32.901 0.384 1.00 -0.07 C HETATM 1542 CBM RRQ A 64 -16.978 33.497 0.809 1.00 0.02 C HETATM 1543 CBQ RRQ A 64 -16.326 34.456 -0.022 1.00 0.05 C HETATM 1544 OBS RRQ A 64 -16.768 34.758 -1.158 1.00 -0.57 O HETATM 1545 OBR RRQ A 64 -15.317 35.082 0.373 1.00 -0.57 O HETATM 1546 H6 RRQ A 64 -18.575 33.184 -0.582 1.00 0.06 H HETATM 1547 H7 RRQ A 64 -19.783 31.517 0.762 1.00 0.05 H HETATM 1548 CBB RRQ A 64 -19.040 30.658 3.209 1.00 0.06 C HETATM 1549 NAA RRQ A 64 -20.421 31.176 3.452 1.00 -0.22 N HETATM 1550 CBC RRQ A 64 -20.632 31.609 4.850 1.00 0.04 C HETATM 1551 CBD RRQ A 64 -21.475 32.899 4.842 1.00 -0.01 C HETATM 1552 CBE RRQ A 64 -20.829 33.937 3.934 1.00 -0.01 C HETATM 1553 CBF RRQ A 64 -21.753 35.166 4.010 1.00 -0.03 C HETATM 1554 NBG RRQ A 64 -21.807 35.698 5.380 1.00 0.23 N HETATM 1555 CBH RRQ A 64 -22.414 34.699 6.276 1.00 -0.03 C HETATM 1556 CBI RRQ A 64 -21.589 33.423 6.283 1.00 -0.01 C HETATM 1557 H21 RRQ A 64 -20.585 33.634 6.680 1.00 0.03 H HETATM 1558 H22 RRQ A 64 -22.081 32.668 6.913 1.00 0.03 H HETATM 1559 H19 RRQ A 64 -23.432 34.471 5.927 1.00 0.08 H HETATM 1560 H20 RRQ A 64 -22.459 35.107 7.296 1.00 0.08 H HETATM 1561 H17 RRQ A 64 -22.362 36.539 5.391 1.00 0.20 H HETATM 1562 H18 RRQ A 64 -20.873 35.907 5.695 1.00 0.20 H HETATM 1563 H15 RRQ A 64 -22.766 34.875 3.697 1.00 0.08 H HETATM 1564 H16 RRQ A 64 -21.371 35.946 3.336 1.00 0.08 H HETATM 1565 H13 RRQ A 64 -20.768 33.563 2.901 1.00 0.03 H HETATM 1566 H14 RRQ A 64 -19.820 34.190 4.293 1.00 0.03 H HETATM 1567 H12 RRQ A 64 -22.482 32.672 4.462 1.00 0.03 H HETATM 1568 H10 RRQ A 64 -19.661 31.804 5.329 1.00 0.05 H HETATM 1569 H11 RRQ A 64 -21.163 30.822 5.406 1.00 0.05 H HETATM 1570 SAB RRQ A 64 -21.732 30.151 2.920 1.00 0.07 S HETATM 1571 OAC RRQ A 64 -21.452 29.678 1.505 1.00 -0.15 O HETATM 1572 OAD RRQ A 64 -22.992 30.947 2.933 1.00 -0.15 O HETATM 1573 CAE RRQ A 64 -21.914 28.703 3.987 1.00 0.11 C HETATM 1574 CAJ RRQ A 64 -20.984 27.700 3.873 1.00 -0.03 C HETATM 1575 CAI RRQ A 64 -21.088 26.586 4.651 1.00 -0.03 C HETATM 1576 CAH RRQ A 64 -22.119 26.459 5.562 1.00 0.11 C HETATM 1577 CAG RRQ A 64 -23.060 27.459 5.705 1.00 -0.03 C HETATM 1578 CAF RRQ A 64 -22.959 28.589 4.910 1.00 -0.03 C HETATM 1579 H25 RRQ A 64 -23.689 29.384 5.003 1.00 0.06 H HETATM 1580 H26 RRQ A 64 -23.863 27.362 6.426 1.00 0.06 H HETATM 1581 SAK RRQ A 64 -22.192 25.051 6.490 1.00 0.07 S HETATM 1582 OAL RRQ A 64 -23.059 25.362 7.682 1.00 -0.15 O HETATM 1583 OAM RRQ A 64 -20.799 24.621 6.973 1.00 -0.15 O HETATM 1584 NAN RRQ A 64 -22.951 23.579 5.639 1.00 -0.22 N HETATM 1585 CAQ RRQ A 64 -24.159 23.728 4.783 1.00 0.04 C HETATM 1586 CAR RRQ A 64 -24.708 22.375 4.421 1.00 -0.03 C HETATM 1587 CAS RRQ A 64 -25.579 22.723 3.216 1.00 -0.05 C HETATM 1588 CAT RRQ A 64 -24.987 23.941 2.568 1.00 -0.05 C HETATM 1589 CAU RRQ A 64 -23.874 24.421 3.442 1.00 -0.03 C HETATM 1590 H34 RRQ A 64 -22.897 24.116 3.040 1.00 0.03 H HETATM 1591 H35 RRQ A 64 -23.901 25.515 3.550 1.00 0.03 H HETATM 1592 H32 RRQ A 64 -25.753 24.725 2.472 1.00 0.03 H HETATM 1593 H33 RRQ A 64 -24.598 23.684 1.572 1.00 0.03 H HETATM 1594 H30 RRQ A 64 -26.607 22.935 3.544 1.00 0.03 H HETATM 1595 H31 RRQ A 64 -25.587 21.885 2.504 1.00 0.03 H HETATM 1596 H28 RRQ A 64 -25.305 21.949 5.241 1.00 0.03 H HETATM 1597 H29 RRQ A 64 -23.905 21.674 4.149 1.00 0.03 H HETATM 1598 H27 RRQ A 64 -24.912 24.305 5.340 1.00 0.05 H HETATM 1599 CAO RRQ A 64 -21.940 22.615 5.116 1.00 0.06 C HETATM 1600 CAP RRQ A 64 -21.869 21.539 6.023 1.00 -0.02 C HETATM 1601 CAV RRQ A 64 -21.206 20.364 5.687 1.00 -0.06 C HETATM 1602 CAW RRQ A 64 -21.129 19.329 6.608 1.00 -0.05 C HETATM 1603 CAX RRQ A 64 -21.704 19.495 7.861 1.00 0.03 C HETATM 1604 CL RRQ A 64 -21.661 18.283 9.011 1.00 -0.08 CL HETATM 1605 CAY RRQ A 64 -22.348 20.662 8.215 1.00 -0.05 C HETATM 1606 CAZ RRQ A 64 -22.426 21.670 7.300 1.00 -0.06 C HETATM 1607 H41 RRQ A 64 -22.930 22.592 7.567 1.00 0.06 H HETATM 1608 H40 RRQ A 64 -22.784 20.776 9.201 1.00 0.06 H HETATM 1609 H39 RRQ A 64 -20.627 18.403 6.353 1.00 0.06 H HETATM 1610 H38 RRQ A 64 -20.751 20.257 4.709 1.00 0.06 H HETATM 1611 H36 RRQ A 64 -20.959 23.106 5.038 1.00 0.06 H HETATM 1612 H37 RRQ A 64 -22.247 22.250 4.125 1.00 0.06 H HETATM 1613 H24 RRQ A 64 -20.356 25.793 4.554 1.00 0.06 H HETATM 1614 H23 RRQ A 64 -20.168 27.794 3.165 1.00 0.06 H HETATM 1615 H8 RRQ A 64 -18.505 30.550 4.164 1.00 0.06 H HETATM 1616 H9 RRQ A 64 -19.087 29.682 2.703 1.00 0.06 H HETATM 1617 H5 RRQ A 64 -16.802 31.881 3.810 1.00 0.05 H HETATM 1618 H4 RRQ A 64 -14.673 34.051 1.837 1.00 0.18 H HETATM 1619 H1 RRQ A 64 -14.100 34.196 4.133 1.00 0.05 H HETATM 1620 H2 RRQ A 64 -15.050 32.689 4.364 1.00 0.05 H HETATM 1621 H3 RRQ A 64 -15.863 34.287 4.466 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1535 1536 1619 1620 1621 CONECT 1536 1535 1537 1618 CONECT 1537 1536 1538 1542 CONECT 1538 1537 1539 1617 CONECT 1539 1538 1540 1548 CONECT 1540 1539 1541 1547 CONECT 1541 1540 1542 1546 CONECT 1542 1537 1541 1543 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1541 CONECT 1547 1540 CONECT 1548 1539 1549 1615 1616 CONECT 1549 1548 1550 1570 CONECT 1550 1549 1551 1568 1569 CONECT 1551 1550 1552 1556 1567 CONECT 1552 1551 1553 1565 1566 CONECT 1553 1552 1554 1563 1564 CONECT 1554 1553 1555 1561 1562 CONECT 1555 1554 1556 1559 1560 CONECT 1556 1551 1555 1557 1558 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1555 CONECT 1560 1555 CONECT 1561 1554 CONECT 1562 1554 CONECT 1563 1553 CONECT 1564 1553 CONECT 1565 1552 CONECT 1566 1552 CONECT 1567 1551 CONECT 1568 1550 CONECT 1569 1550 CONECT 1570 1549 1571 1572 1573 CONECT 1571 1570 CONECT 1572 1570 CONECT 1573 1570 1574 1578 CONECT 1574 1573 1575 1614 CONECT 1575 1574 1576 1613 CONECT 1576 1575 1577 1581 CONECT 1577 1576 1578 1580 CONECT 1578 1573 1577 1579 CONECT 1579 1578 CONECT 1580 1577 CONECT 1581 1576 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 1585 1599 CONECT 1585 1584 1586 1589 1598 CONECT 1586 1585 1587 1596 1597 CONECT 1587 1586 1588 1594 1595 CONECT 1588 1587 1589 1592 1593 CONECT 1589 1585 1588 1590 1591 CONECT 1590 1589 CONECT 1591 1589 CONECT 1592 1588 CONECT 1593 1588 CONECT 1594 1587 CONECT 1595 1587 CONECT 1596 1586 CONECT 1597 1586 CONECT 1598 1585 CONECT 1599 1584 1600 1611 1612 CONECT 1600 1599 1601 1606 CONECT 1601 1600 1602 1610 CONECT 1602 1601 1603 1609 CONECT 1603 1602 1604 1605 CONECT 1604 1603 CONECT 1605 1603 1606 1608 CONECT 1606 1600 1605 1607 CONECT 1607 1606 CONECT 1608 1605 CONECT 1609 1602 CONECT 1610 1601 CONECT 1611 1599 CONECT 1612 1599 CONECT 1613 1575 CONECT 1614 1574 CONECT 1615 1548 CONECT 1616 1548 CONECT 1617 1538 CONECT 1618 1536 CONECT 1619 1535 CONECT 1620 1535 CONECT 1621 1535 MASTER 0 0 0 0 0 0 0 0 1620 1 91 12 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ml4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
RRQ
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd<2nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 2423-2428
Ligand Properties
Formula
C
3
3
H
4
2
ClN
4
O
6
S
2
Molecular Weight
690.293
Exact Mass
689.223
No. of atoms
88
No. of bonds
92
Polar Surface Area
157.46
LOGP Value
4.28 (
Computed with XLOGP3
)
8.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
CNc1cc(ccc1C(=O)O)CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(C1CCCC1)Cc1ccc(cc1)Cl)CC1CC[NH2+]CC1
InChI String
InChI=1S/C33H41ClN4O6S2/c1-35-32-20-26(8-15-31(32)33(39)40)22-37(21-25-16-18-36-19-17-25)45(41,42)29-11-13-30(14-12-29)46(43,44)38(28-4-2-3-5-28)23-24-6-9-27(34)10-7-24/h6-15,20,25,28,35-36H,2-5,16-19,21-23H2,1H3,(H,39,40)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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