Browse entries in the PDBbind-CN Database
HEADER 4W53_COMPLEX COMPND 4W53_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA ALA ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET MBN A 300 15 ATOM 1 N MET A 1 -17.065 -3.242 8.951 1.00 28.48 N ATOM 2 CA MET A 1 -17.680 -1.929 9.047 1.00 18.42 C ATOM 3 C MET A 1 -19.104 -2.026 9.580 1.00 15.07 C ATOM 4 O MET A 1 -19.837 -2.988 9.322 1.00 17.13 O ATOM 5 CB MET A 1 -17.650 -1.241 7.681 1.00 18.04 C ATOM 6 CG MET A 1 -18.231 0.146 7.673 1.00 14.09 C ATOM 7 SD MET A 1 -17.087 1.416 8.190 1.00 21.05 S ATOM 8 CE MET A 1 -15.681 0.978 7.170 1.00 25.54 C ATOM 9 HN3 MET A 1 -17.622 -3.838 8.306 1.00 0.00 H ATOM 10 HN2 MET A 1 -17.038 -3.681 9.894 1.00 0.00 H ATOM 11 HN1 MET A 1 -16.096 -3.144 8.585 1.00 0.00 H ATOM 12 N ASN A 2 -19.490 -1.019 10.345 1.00 13.61 N ATOM 13 CA ASN A 2 -20.833 -0.923 10.889 1.00 12.62 C ATOM 14 C ASN A 2 -21.152 0.562 10.932 1.00 11.85 C ATOM 15 O ASN A 2 -20.304 1.388 10.573 1.00 11.20 O ATOM 16 CB ASN A 2 -20.904 -1.553 12.299 1.00 14.22 C ATOM 17 CG ASN A 2 -19.898 -0.958 13.268 1.00 12.71 C ATOM 18 OD1 ASN A 2 -19.908 0.247 13.521 1.00 12.03 O ATOM 19 ND2 ASN A 2 -19.034 -1.797 13.833 1.00 13.46 N ATOM 20 HD22 ASN A 2 -19.058 -2.808 13.592 1.00 0.00 H ATOM 21 HD21 ASN A 2 -18.334 -1.441 14.515 1.00 0.00 H ATOM 22 H ASN A 2 -18.806 -0.267 10.565 1.00 0.00 H ATOM 23 N ILE A 3 -22.362 0.901 11.366 1.00 10.93 N ATOM 24 CA ILE A 3 -22.816 2.297 11.320 1.00 11.94 C ATOM 25 C ILE A 3 -21.961 3.214 12.201 1.00 11.56 C ATOM 26 O ILE A 3 -21.751 4.385 11.847 1.00 10.37 O ATOM 27 CB ILE A 3 -24.330 2.399 11.718 1.00 11.11 C ATOM 28 CG1 ILE A 3 -24.866 3.832 11.583 1.00 10.56 C ATOM 29 CG2 ILE A 3 -24.549 1.834 13.136 1.00 11.23 C ATOM 30 CD1 ILE A 3 -24.679 4.461 10.174 1.00 10.43 C ATOM 31 H ILE A 3 -22.996 0.168 11.743 1.00 0.00 H ATOM 32 N PHE A 4 -21.459 2.720 13.332 1.00 9.93 N ATOM 33 CA PHE A 4 -20.604 3.549 14.170 1.00 9.23 C ATOM 34 C PHE A 4 -19.293 3.856 13.486 1.00 10.46 C ATOM 35 O PHE A 4 -18.823 5.008 13.525 1.00 11.15 O ATOM 36 CB PHE A 4 -20.412 2.901 15.565 1.00 9.53 C ATOM 37 CG PHE A 4 -21.662 2.861 16.350 1.00 9.32 C ATOM 38 CD1 PHE A 4 -22.010 3.934 17.170 1.00 12.13 C ATOM 39 CD2 PHE A 4 -22.519 1.782 16.266 1.00 12.92 C ATOM 40 CE1 PHE A 4 -23.207 3.926 17.859 1.00 13.72 C ATOM 41 CE2 PHE A 4 -23.703 1.766 16.970 1.00 13.90 C ATOM 42 CZ PHE A 4 -24.046 2.824 17.748 1.00 11.38 C ATOM 43 H PHE A 4 -21.677 1.744 13.616 1.00 0.00 H ATOM 44 N GLU A 5 -18.672 2.863 12.867 1.00 10.63 N ATOM 45 CA GLU A 5 -17.397 3.118 12.201 1.00 11.75 C ATOM 46 C GLU A 5 -17.605 4.055 11.023 1.00 11.32 C ATOM 47 O GLU A 5 -16.776 4.933 10.745 1.00 11.31 O ATOM 48 CB GLU A 5 -16.755 1.804 11.730 1.00 10.22 C ATOM 49 CG GLU A 5 -16.372 0.903 12.901 1.00 11.78 C ATOM 50 CD GLU A 5 -15.730 -0.422 12.488 1.00 21.45 C ATOM 51 OE1 GLU A 5 -15.860 -0.822 11.326 1.00 28.32 O ATOM 52 OE2 GLU A 5 -15.088 -1.072 13.350 1.00 20.97 O ATOM 53 H GLU A 5 -19.089 1.910 12.855 1.00 0.00 H ATOM 54 N MET A 6 -18.715 3.849 10.325 1.00 9.98 N ATOM 55 CA MET A 6 -19.011 4.667 9.155 1.00 8.38 C ATOM 56 C MET A 6 -19.177 6.143 9.517 1.00 9.89 C ATOM 57 O MET A 6 -18.555 7.019 8.881 1.00 8.67 O ATOM 58 CB MET A 6 -20.270 4.120 8.484 1.00 10.87 C ATOM 59 CG MET A 6 -20.665 4.853 7.223 1.00 9.89 C ATOM 60 SD MET A 6 -22.419 4.481 6.826 1.00 10.40 S ATOM 61 CE MET A 6 -22.482 4.659 5.040 1.00 13.31 C ATOM 62 H MET A 6 -19.377 3.101 10.614 1.00 0.00 H ATOM 63 N LEU A 7 -20.028 6.433 10.501 1.00 10.36 N ATOM 64 CA LEU A 7 -20.241 7.811 10.898 1.00 9.73 C ATOM 65 C LEU A 7 -19.021 8.383 11.621 1.00 9.23 C ATOM 66 O LEU A 7 -18.790 9.573 11.524 1.00 10.82 O ATOM 67 CB LEU A 7 -21.479 7.919 11.789 1.00 8.56 C ATOM 68 CG LEU A 7 -22.773 7.948 10.987 1.00 8.25 C ATOM 69 CD1 LEU A 7 -23.969 7.705 11.904 1.00 12.96 C ATOM 70 CD2 LEU A 7 -22.897 9.315 10.330 1.00 10.28 C ATOM 71 H LEU A 7 -20.541 5.669 10.985 1.00 0.00 H ATOM 72 N ARG A 8 -18.217 7.559 12.285 1.00 10.37 N ATOM 73 CA ARG A 8 -16.986 8.078 12.888 1.00 11.66 C ATOM 74 C ARG A 8 -16.032 8.571 11.797 1.00 13.38 C ATOM 75 O ARG A 8 -15.347 9.579 11.976 1.00 12.42 O ATOM 76 CB ARG A 8 -16.318 7.007 13.740 1.00 13.15 C ATOM 77 CG ARG A 8 -14.933 7.351 14.270 1.00 14.96 C ATOM 78 CD ARG A 8 -14.927 8.595 15.136 1.00 18.19 C ATOM 79 NE ARG A 8 -13.567 8.797 15.640 1.00 20.80 N ATOM 80 CZ ARG A 8 -12.604 9.418 14.964 1.00 26.26 C ATOM 81 NH1 ARG A 8 -12.852 9.931 13.767 1.00 23.05 N ATOM 82 NH2 ARG A 8 -11.383 9.527 15.496 1.00 26.91 N ATOM 83 HE ARG A 8 -13.339 8.432 16.587 1.00 0.00 H ATOM 84 HH12 ARG A 8 -12.096 10.416 13.242 1.00 0.00 H ATOM 85 HH11 ARG A 8 -13.802 9.849 13.353 1.00 0.00 H ATOM 86 HH22 ARG A 8 -10.628 10.012 14.970 1.00 0.00 H ATOM 87 HH21 ARG A 8 -11.188 9.127 16.436 1.00 0.00 H ATOM 88 H ARG A 8 -18.460 6.552 12.376 1.00 0.00 H ATOM 89 N ILE A 9 -15.977 7.868 10.672 1.00 11.14 N ATOM 90 CA ILE A 9 -15.177 8.331 9.528 1.00 8.83 C ATOM 91 C ILE A 9 -15.758 9.623 8.979 1.00 10.05 C ATOM 92 O ILE A 9 -15.037 10.611 8.754 1.00 14.19 O ATOM 93 CB ILE A 9 -15.124 7.226 8.424 1.00 11.01 C ATOM 94 CG1 ILE A 9 -14.218 6.076 8.873 1.00 15.60 C ATOM 95 CG2 ILE A 9 -14.662 7.799 7.068 1.00 15.79 C ATOM 96 CD1 ILE A 9 -14.402 4.825 8.078 1.00 14.53 C ATOM 97 H ILE A 9 -16.508 6.977 10.599 1.00 0.00 H ATOM 98 N ASP A 10 -17.065 9.657 8.774 1.00 10.02 N ATOM 99 CA ASP A 10 -17.657 10.821 8.125 1.00 11.11 C ATOM 100 C ASP A 10 -17.705 12.072 9.011 1.00 12.51 C ATOM 101 O ASP A 10 -17.663 13.191 8.501 1.00 14.92 O ATOM 102 CB ASP A 10 -19.083 10.509 7.641 1.00 10.58 C ATOM 103 CG ASP A 10 -19.109 9.657 6.402 1.00 13.23 C ATOM 104 OD1 ASP A 10 -18.131 9.668 5.634 1.00 12.39 O ATOM 105 OD2 ASP A 10 -20.122 8.953 6.177 1.00 12.85 O ATOM 106 H ASP A 10 -17.664 8.861 9.073 1.00 0.00 H ATOM 107 N GLU A 11 -17.831 11.894 10.321 1.00 10.89 N ATOM 108 CA GLU A 11 -17.992 13.048 11.212 1.00 11.14 C ATOM 109 C GLU A 11 -16.721 13.435 11.936 1.00 13.64 C ATOM 110 O GLU A 11 -16.610 14.574 12.407 1.00 15.15 O ATOM 111 CB GLU A 11 -19.096 12.780 12.252 1.00 11.47 C ATOM 112 CG GLU A 11 -20.494 12.545 11.697 1.00 11.92 C ATOM 113 CD GLU A 11 -21.138 13.776 11.057 1.00 18.83 C ATOM 114 OE1 GLU A 11 -20.604 14.915 11.194 1.00 20.27 O ATOM 115 OE2 GLU A 11 -22.206 13.606 10.425 1.00 19.07 O ATOM 116 H GLU A 11 -17.815 10.932 10.717 1.00 0.00 H ATOM 117 N GLY A 12 -15.774 12.516 12.062 1.00 13.39 N ATOM 118 CA GLY A 12 -14.574 12.776 12.853 1.00 14.13 C ATOM 119 C GLY A 12 -14.836 12.753 14.357 1.00 14.07 C ATOM 120 O GLY A 12 -15.920 12.391 14.809 1.00 13.49 O ATOM 121 H GLY A 12 -15.887 11.596 11.590 1.00 0.00 H ATOM 122 N LEU A 13 -13.829 13.143 15.137 1.00 14.69 N ATOM 123 CA LEU A 13 -13.996 13.253 16.582 1.00 15.57 C ATOM 124 C LEU A 13 -13.254 14.492 17.037 1.00 16.01 C ATOM 125 O LEU A 13 -12.050 14.606 16.823 1.00 18.14 O ATOM 126 CB LEU A 13 -13.450 12.022 17.307 1.00 14.90 C ATOM 127 CG LEU A 13 -13.269 12.168 18.825 1.00 18.69 C ATOM 128 CD1 LEU A 13 -14.615 12.216 19.561 1.00 18.81 C ATOM 129 CD2 LEU A 13 -12.416 11.017 19.329 1.00 25.34 C ATOM 130 H LEU A 13 -12.909 13.373 14.709 1.00 0.00 H ATOM 131 N ARG A 14 -13.983 15.429 17.631 1.00 13.05 N ATOM 132 CA ARG A 14 -13.382 16.624 18.207 1.00 13.75 C ATOM 133 C ARG A 14 -13.951 16.823 19.603 1.00 15.61 C ATOM 134 O ARG A 14 -15.153 16.765 19.806 1.00 14.96 O ATOM 135 CB ARG A 14 -13.626 17.851 17.309 1.00 15.48 C ATOM 136 CG ARG A 14 -13.019 17.686 15.885 1.00 16.36 C ATOM 137 CD ARG A 14 -13.204 18.914 14.982 1.00 19.60 C ATOM 138 NE ARG A 14 -12.464 20.071 15.472 1.00 22.29 N ATOM 139 CZ ARG A 14 -12.360 21.236 14.837 1.00 26.29 C ATOM 140 NH1 ARG A 14 -12.946 21.425 13.659 1.00 20.82 N ATOM 141 NH2 ARG A 14 -11.666 22.222 15.392 1.00 23.99 N ATOM 142 HE ARG A 14 -11.980 19.979 16.388 1.00 0.00 H ATOM 143 HH12 ARG A 14 -12.856 22.341 13.174 1.00 0.00 H ATOM 144 HH11 ARG A 14 -13.494 20.657 13.222 1.00 0.00 H ATOM 145 HH22 ARG A 14 -11.579 23.136 14.903 1.00 0.00 H ATOM 146 HH21 ARG A 14 -11.209 22.081 16.316 1.00 0.00 H ATOM 147 H ARG A 14 -15.014 15.306 17.687 1.00 0.00 H ATOM 148 N LEU A 15 -13.074 17.060 20.580 1.00 12.83 N ATOM 149 CA LEU A 15 -13.513 17.157 21.978 1.00 12.41 C ATOM 150 C LEU A 15 -13.823 18.574 22.467 1.00 14.87 C ATOM 151 O LEU A 15 -14.295 18.759 23.599 1.00 18.52 O ATOM 152 CB LEU A 15 -12.482 16.482 22.892 1.00 15.14 C ATOM 153 CG LEU A 15 -12.218 14.997 22.580 1.00 17.88 C ATOM 154 CD1 LEU A 15 -11.167 14.438 23.523 1.00 20.44 C ATOM 155 CD2 LEU A 15 -13.496 14.146 22.646 1.00 18.95 C ATOM 156 H LEU A 15 -12.067 17.178 20.349 1.00 0.00 H ATOM 157 N LYS A 16 -13.598 19.573 21.613 1.00 11.80 N ATOM 158 CA LYS A 16 -13.927 20.955 21.935 1.00 14.76 C ATOM 159 C LYS A 16 -14.953 21.419 20.932 1.00 13.41 C ATOM 160 O LYS A 16 -14.982 20.923 19.787 1.00 15.68 O ATOM 161 CB LYS A 16 -12.659 21.836 21.853 1.00 19.17 C ATOM 162 CG LYS A 16 -11.527 21.359 22.754 1.00 20.79 C ATOM 163 CD LYS A 16 -10.278 22.221 22.572 1.00 26.30 C ATOM 164 H LYS A 16 -13.174 19.359 20.688 1.00 0.00 H ATOM 165 N ILE A 17 -15.812 22.338 21.349 1.00 12.26 N ATOM 166 CA ILE A 17 -16.838 22.864 20.465 1.00 10.01 C ATOM 167 C ILE A 17 -16.217 23.362 19.174 1.00 15.80 C ATOM 168 O ILE A 17 -15.195 24.075 19.192 1.00 17.65 O ATOM 169 CB ILE A 17 -17.625 23.996 21.138 1.00 12.94 C ATOM 170 CG1 ILE A 17 -18.503 23.434 22.272 1.00 13.88 C ATOM 171 CG2 ILE A 17 -18.506 24.725 20.131 1.00 16.58 C ATOM 172 CD1 ILE A 17 -19.224 24.513 23.069 1.00 16.20 C ATOM 173 H ILE A 17 -15.751 22.689 22.326 1.00 0.00 H ATOM 174 N TYR A 18 -16.846 22.976 18.066 1.00 11.81 N ATOM 175 CA TYR A 18 -16.362 23.385 16.749 1.00 12.12 C ATOM 176 C TYR A 18 -17.559 23.769 15.898 1.00 13.70 C ATOM 177 O TYR A 18 -18.704 23.542 16.274 1.00 12.78 O ATOM 178 CB TYR A 18 -15.556 22.258 16.041 1.00 15.71 C ATOM 179 CG TYR A 18 -16.319 20.967 15.727 1.00 14.38 C ATOM 180 CD1 TYR A 18 -16.463 19.977 16.693 1.00 16.03 C ATOM 181 CD2 TYR A 18 -16.851 20.723 14.440 1.00 17.14 C ATOM 182 CE1 TYR A 18 -17.122 18.788 16.417 1.00 16.37 C ATOM 183 CE2 TYR A 18 -17.533 19.509 14.158 1.00 16.60 C ATOM 184 CZ TYR A 18 -17.661 18.568 15.154 1.00 16.87 C ATOM 185 OH TYR A 18 -18.308 17.372 14.902 1.00 16.74 O ATOM 186 HH TYR A 18 -17.837 16.889 14.178 1.00 0.00 H ATOM 187 H TYR A 18 -17.692 22.376 18.138 1.00 0.00 H ATOM 188 N LYS A 19 -17.306 24.348 14.735 1.00 14.35 N ATOM 189 CA LYS A 19 -18.392 24.572 13.795 1.00 14.60 C ATOM 190 C LYS A 19 -18.384 23.531 12.705 1.00 15.76 C ATOM 191 O LYS A 19 -17.324 23.208 12.160 1.00 17.86 O ATOM 192 CB LYS A 19 -18.319 25.963 13.182 1.00 14.37 C ATOM 193 CG LYS A 19 -18.707 27.081 14.112 1.00 16.21 C ATOM 194 CD LYS A 19 -18.497 28.396 13.418 1.00 18.43 C ATOM 195 CE LYS A 19 -18.926 29.556 14.307 1.00 22.49 C ATOM 196 NZ LYS A 19 -18.738 30.841 13.573 1.00 26.35 N ATOM 197 HZ1 LYS A 19 -17.735 30.950 13.319 1.00 0.00 H ATOM 198 HZ2 LYS A 19 -19.317 30.833 12.709 1.00 0.00 H ATOM 199 HZ3 LYS A 19 -19.031 31.632 14.181 1.00 0.00 H ATOM 200 H LYS A 19 -16.337 24.641 14.495 1.00 0.00 H ATOM 201 N ASP A 20 -19.571 22.995 12.411 1.00 12.33 N ATOM 202 CA ASP A 20 -19.729 21.963 11.405 1.00 12.55 C ATOM 203 C ASP A 20 -19.661 22.573 10.016 1.00 13.98 C ATOM 204 O ASP A 20 -19.334 23.752 9.867 1.00 14.41 O ATOM 205 CB ASP A 20 -21.023 21.159 11.640 1.00 17.29 C ATOM 206 CG ASP A 20 -22.299 21.920 11.292 1.00 19.39 C ATOM 207 OD1 ASP A 20 -22.259 23.049 10.778 1.00 17.17 O ATOM 208 OD2 ASP A 20 -23.398 21.373 11.543 1.00 21.81 O ATOM 209 H ASP A 20 -20.413 23.330 12.922 1.00 0.00 H ATOM 210 N THR A 21 -19.957 21.780 9.000 1.00 14.02 N ATOM 211 CA THR A 21 -19.828 22.227 7.607 1.00 14.72 C ATOM 212 C THR A 21 -20.765 23.390 7.288 1.00 15.17 C ATOM 213 O THR A 21 -20.528 24.167 6.355 1.00 15.81 O ATOM 214 CB THR A 21 -20.093 21.063 6.605 1.00 16.19 C ATOM 215 OG1 THR A 21 -21.460 20.647 6.693 1.00 17.47 O ATOM 216 CG2 THR A 21 -19.156 19.876 6.879 1.00 13.64 C ATOM 217 HG1 THR A 21 -21.621 19.908 6.054 1.00 0.00 H ATOM 218 H THR A 21 -20.290 20.814 9.193 1.00 0.00 H ATOM 219 N GLU A 22 -21.866 23.495 8.045 1.00 14.42 N ATOM 220 CA GLU A 22 -22.826 24.565 7.834 1.00 13.21 C ATOM 221 C GLU A 22 -22.603 25.774 8.725 1.00 14.63 C ATOM 222 O GLU A 22 -23.378 26.718 8.685 1.00 16.93 O ATOM 223 CB GLU A 22 -24.245 24.042 8.079 1.00 14.86 C ATOM 224 CG GLU A 22 -24.639 22.887 7.174 1.00 19.32 C ATOM 225 CD GLU A 22 -24.936 23.302 5.740 1.00 25.15 C ATOM 226 OE1 GLU A 22 -25.028 24.514 5.454 1.00 25.25 O ATOM 227 OE2 GLU A 22 -25.079 22.390 4.889 1.00 28.09 O ATOM 228 H GLU A 22 -22.036 22.798 8.797 1.00 0.00 H ATOM 229 N GLY A 23 -21.545 25.739 9.533 1.00 13.33 N ATOM 230 CA GLY A 23 -21.251 26.817 10.454 1.00 13.19 C ATOM 231 C GLY A 23 -21.936 26.722 11.809 1.00 14.25 C ATOM 232 O GLY A 23 -21.948 27.694 12.553 1.00 17.28 O ATOM 233 H GLY A 23 -20.912 24.914 9.502 1.00 0.00 H ATOM 234 N TYR A 24 -22.496 25.554 12.139 1.00 12.74 N ATOM 235 CA TYR A 24 -23.234 25.419 13.400 1.00 13.57 C ATOM 236 C TYR A 24 -22.390 24.795 14.485 1.00 12.22 C ATOM 237 O TYR A 24 -21.657 23.858 14.241 1.00 12.45 O ATOM 238 CB TYR A 24 -24.460 24.528 13.228 1.00 13.58 C ATOM 239 CG TYR A 24 -25.484 25.061 12.257 1.00 17.87 C ATOM 240 CD1 TYR A 24 -25.882 26.385 12.302 1.00 23.10 C ATOM 241 CD2 TYR A 24 -26.041 24.233 11.297 1.00 22.98 C ATOM 242 CE1 TYR A 24 -26.831 26.881 11.412 1.00 25.67 C ATOM 243 CE2 TYR A 24 -26.983 24.717 10.404 1.00 24.94 C ATOM 244 CZ TYR A 24 -27.368 26.039 10.466 1.00 31.36 C ATOM 245 OH TYR A 24 -28.309 26.524 9.583 1.00 34.47 O ATOM 246 HH TYR A 24 -28.467 27.484 9.766 1.00 0.00 H ATOM 247 H TYR A 24 -22.408 24.738 11.500 1.00 0.00 H ATOM 248 N TYR A 25 -22.542 25.283 15.716 1.00 11.55 N ATOM 249 CA TYR A 25 -21.774 24.730 16.824 1.00 11.73 C ATOM 250 C TYR A 25 -22.133 23.273 17.097 1.00 12.02 C ATOM 251 O TYR A 25 -23.305 22.932 17.250 1.00 12.73 O ATOM 252 CB TYR A 25 -21.997 25.562 18.095 1.00 11.07 C ATOM 253 CG TYR A 25 -21.396 26.952 18.008 1.00 13.11 C ATOM 254 CD1 TYR A 25 -20.031 27.110 17.849 1.00 14.59 C ATOM 255 CD2 TYR A 25 -22.202 28.084 18.110 1.00 18.23 C ATOM 256 CE1 TYR A 25 -19.457 28.398 17.778 1.00 18.24 C ATOM 257 CE2 TYR A 25 -21.637 29.374 18.030 1.00 19.06 C ATOM 258 CZ TYR A 25 -20.272 29.503 17.868 1.00 23.41 C ATOM 259 OH TYR A 25 -19.668 30.747 17.788 1.00 27.86 O ATOM 260 HH TYR A 25 -20.036 31.242 17.014 1.00 0.00 H ATOM 261 H TYR A 25 -23.211 26.061 15.886 1.00 0.00 H ATOM 262 N THR A 26 -21.085 22.471 17.249 1.00 10.64 N ATOM 263 CA THR A 26 -21.146 21.015 17.272 1.00 11.02 C ATOM 264 C THR A 26 -20.042 20.537 18.186 1.00 10.60 C ATOM 265 O THR A 26 -19.101 21.289 18.494 1.00 12.46 O ATOM 266 CB THR A 26 -20.893 20.505 15.825 1.00 9.51 C ATOM 267 OG1 THR A 26 -21.905 21.040 14.977 1.00 13.76 O ATOM 268 CG2 THR A 26 -20.946 18.985 15.716 1.00 10.21 C ATOM 269 HG1 THR A 26 -21.865 22.029 15.000 1.00 0.00 H ATOM 270 H THR A 26 -20.151 22.915 17.360 1.00 0.00 H ATOM 271 N ILE A 27 -20.121 19.300 18.671 1.00 10.14 N ATOM 272 CA ILE A 27 -19.028 18.742 19.454 1.00 10.45 C ATOM 273 C ILE A 27 -18.983 17.237 19.229 1.00 12.05 C ATOM 274 O ILE A 27 -19.962 16.662 18.743 1.00 10.98 O ATOM 275 CB ILE A 27 -19.184 19.061 20.971 1.00 10.12 C ATOM 276 CG1 ILE A 27 -17.839 18.860 21.700 1.00 13.80 C ATOM 277 CG2 ILE A 27 -20.336 18.244 21.608 1.00 13.12 C ATOM 278 CD1 ILE A 27 -17.638 19.697 22.996 1.00 14.47 C ATOM 279 H ILE A 27 -20.970 18.728 18.489 1.00 0.00 H ATOM 280 N GLY A 28 -17.875 16.594 19.590 1.00 12.04 N ATOM 281 CA GLY A 28 -17.818 15.133 19.605 1.00 10.55 C ATOM 282 C GLY A 28 -17.813 14.571 18.190 1.00 11.97 C ATOM 283 O GLY A 28 -17.062 15.033 17.316 1.00 12.61 O ATOM 284 H GLY A 28 -17.035 17.141 19.866 1.00 0.00 H ATOM 285 N ILE A 29 -18.642 13.550 17.978 1.00 10.14 N ATOM 286 CA ILE A 29 -18.765 12.903 16.677 1.00 10.40 C ATOM 287 C ILE A 29 -20.014 13.460 15.972 1.00 9.79 C ATOM 288 O ILE A 29 -21.048 12.815 15.864 1.00 11.34 O ATOM 289 CB ILE A 29 -18.794 11.377 16.871 1.00 10.03 C ATOM 290 CG1 ILE A 29 -17.544 10.978 17.651 1.00 12.29 C ATOM 291 CG2 ILE A 29 -18.829 10.663 15.488 1.00 12.61 C ATOM 292 CD1 ILE A 29 -17.595 9.570 18.218 1.00 16.39 C ATOM 293 H ILE A 29 -19.222 13.202 18.768 1.00 0.00 H ATOM 294 N GLY A 30 -19.923 14.716 15.516 1.00 10.18 N ATOM 295 CA GLY A 30 -21.049 15.324 14.827 1.00 9.51 C ATOM 296 C GLY A 30 -22.269 15.603 15.682 1.00 10.45 C ATOM 297 O GLY A 30 -23.375 15.621 15.148 1.00 12.81 O ATOM 298 H GLY A 30 -19.046 15.257 15.655 1.00 0.00 H ATOM 299 N HIS A 31 -22.095 15.809 16.984 1.00 9.56 N ATOM 300 CA HIS A 31 -23.258 16.146 17.790 1.00 8.54 C ATOM 301 C HIS A 31 -23.603 17.635 17.678 1.00 9.24 C ATOM 302 O HIS A 31 -22.893 18.480 18.229 1.00 12.03 O ATOM 303 CB HIS A 31 -23.033 15.794 19.261 1.00 9.84 C ATOM 304 CG HIS A 31 -24.225 16.115 20.106 1.00 12.69 C ATOM 305 ND1 HIS A 31 -25.327 15.287 20.165 1.00 14.15 N ATOM 306 CD2 HIS A 31 -24.515 17.197 20.869 1.00 14.36 C ATOM 307 CE1 HIS A 31 -26.240 15.845 20.950 1.00 15.69 C ATOM 308 NE2 HIS A 31 -25.766 16.995 21.400 1.00 15.51 N ATOM 309 H HIS A 31 -21.152 15.731 17.415 1.00 0.00 H ATOM 310 N LEU A 32 -24.690 17.953 16.992 1.00 9.43 N ATOM 311 CA LEU A 32 -25.113 19.354 16.815 1.00 10.83 C ATOM 312 C LEU A 32 -25.568 19.912 18.136 1.00 11.72 C ATOM 313 O LEU A 32 -26.398 19.304 18.817 1.00 13.85 O ATOM 314 CB LEU A 32 -26.248 19.461 15.799 1.00 12.36 C ATOM 315 CG LEU A 32 -26.924 20.828 15.649 1.00 15.24 C ATOM 316 CD1 LEU A 32 -25.961 21.809 15.019 1.00 15.09 C ATOM 317 CD2 LEU A 32 -28.195 20.681 14.775 1.00 16.50 C ATOM 318 H LEU A 32 -25.260 17.194 16.567 1.00 0.00 H ATOM 319 N LEU A 33 -25.015 21.059 18.526 1.00 11.23 N ATOM 320 CA LEU A 33 -25.445 21.667 19.785 1.00 10.94 C ATOM 321 C LEU A 33 -26.558 22.668 19.577 1.00 12.34 C ATOM 322 O LEU A 33 -27.544 22.697 20.353 1.00 18.13 O ATOM 323 CB LEU A 33 -24.237 22.347 20.450 1.00 12.58 C ATOM 324 CG LEU A 33 -23.221 21.351 21.022 1.00 12.68 C ATOM 325 CD1 LEU A 33 -21.861 22.023 21.408 1.00 12.13 C ATOM 326 CD2 LEU A 33 -23.789 20.605 22.211 1.00 12.07 C ATOM 327 H LEU A 33 -24.286 21.517 17.942 1.00 0.00 H ATOM 328 N THR A 34 -26.417 23.521 18.565 1.00 14.22 N ATOM 329 CA THR A 34 -27.422 24.560 18.323 1.00 16.53 C ATOM 330 C THR A 34 -27.165 25.190 16.981 1.00 17.06 C ATOM 331 O THR A 34 -26.033 25.183 16.477 1.00 16.85 O ATOM 332 CB THR A 34 -27.401 25.679 19.406 1.00 19.17 C ATOM 333 OG1 THR A 34 -28.436 26.627 19.118 1.00 21.24 O ATOM 334 CG2 THR A 34 -26.049 26.410 19.424 1.00 16.57 C ATOM 335 HG1 THR A 34 -28.428 27.341 19.803 1.00 0.00 H ATOM 336 H THR A 34 -25.588 23.450 17.941 1.00 0.00 H ATOM 337 N LYS A 35 -28.208 25.762 16.401 1.00 17.46 N ATOM 338 CA LYS A 35 -28.030 26.507 15.166 1.00 17.74 C ATOM 339 C LYS A 35 -27.911 27.987 15.460 1.00 19.64 C ATOM 340 O LYS A 35 -27.729 28.804 14.546 1.00 23.28 O ATOM 341 CB LYS A 35 -29.181 26.235 14.199 1.00 21.20 C ATOM 342 CG LYS A 35 -29.154 24.824 13.645 1.00 20.14 C ATOM 343 CD LYS A 35 -30.244 24.625 12.609 1.00 26.94 C ATOM 344 CE LYS A 35 -30.226 23.200 12.098 1.00 33.94 C ATOM 345 NZ LYS A 35 -31.308 22.968 11.105 1.00 39.88 N ATOM 346 HZ1 LYS A 35 -32.230 23.149 11.550 1.00 0.00 H ATOM 347 HZ2 LYS A 35 -31.180 23.611 10.298 1.00 0.00 H ATOM 348 HZ3 LYS A 35 -31.268 21.983 10.775 1.00 0.00 H ATOM 349 H LYS A 35 -29.153 25.679 16.828 1.00 0.00 H ATOM 350 N SER A 36 -27.968 28.321 16.742 1.00 19.09 N ATOM 351 CA SER A 36 -27.763 29.708 17.176 1.00 23.88 C ATOM 352 C SER A 36 -26.336 30.163 16.949 1.00 25.48 C ATOM 353 O SER A 36 -25.392 29.413 17.194 1.00 21.37 O ATOM 354 CB SER A 36 -28.076 29.848 18.663 1.00 23.70 C ATOM 355 OG SER A 36 -27.695 31.139 19.132 1.00 26.51 O ATOM 356 HG SER A 36 -27.904 31.213 20.097 1.00 0.00 H ATOM 357 H SER A 36 -28.161 27.587 17.453 1.00 0.00 H ATOM 358 N PRO A 37 -26.162 31.419 16.516 1.00 23.20 N ATOM 359 CA PRO A 37 -24.802 31.958 16.399 1.00 18.99 C ATOM 360 C PRO A 37 -24.081 32.235 17.722 1.00 21.55 C ATOM 361 O PRO A 37 -22.907 32.585 17.722 1.00 27.45 O ATOM 362 CB PRO A 37 -25.007 33.264 15.621 1.00 28.94 C ATOM 363 CG PRO A 37 -26.404 33.649 15.888 1.00 31.45 C ATOM 364 CD PRO A 37 -27.187 32.371 16.065 1.00 26.64 C ATOM 365 N SER A 38 -24.766 32.037 18.838 1.00 24.49 N ATOM 366 CA SER A 38 -24.186 32.323 20.147 1.00 22.25 C ATOM 367 C SER A 38 -23.369 31.150 20.700 1.00 22.76 C ATOM 368 O SER A 38 -23.916 30.075 20.962 1.00 20.76 O ATOM 369 CB SER A 38 -25.303 32.685 21.145 1.00 20.15 C ATOM 370 OG SER A 38 -24.805 32.717 22.478 1.00 31.01 O ATOM 371 HG SER A 38 -24.087 33.395 22.545 1.00 0.00 H ATOM 372 H SER A 38 -25.737 31.670 18.781 1.00 0.00 H ATOM 373 N LEU A 39 -22.073 31.353 20.905 1.00 21.95 N ATOM 374 CA LEU A 39 -21.260 30.344 21.561 1.00 20.10 C ATOM 375 C LEU A 39 -21.789 30.084 22.978 1.00 19.37 C ATOM 376 O LEU A 39 -21.737 28.947 23.484 1.00 18.43 O ATOM 377 CB LEU A 39 -19.772 30.744 21.596 1.00 20.49 C ATOM 378 CG LEU A 39 -18.848 29.782 22.359 1.00 20.99 C ATOM 379 CD1 LEU A 39 -18.814 28.409 21.694 1.00 18.41 C ATOM 380 CD2 LEU A 39 -17.434 30.330 22.490 1.00 30.50 C ATOM 381 H LEU A 39 -21.636 32.243 20.593 1.00 0.00 H ATOM 382 N ASN A 40 -22.301 31.123 23.636 1.00 19.85 N ATOM 383 CA ASN A 40 -22.812 30.886 24.992 1.00 18.45 C ATOM 384 C ASN A 40 -24.019 29.944 24.979 1.00 18.41 C ATOM 385 O ASN A 40 -24.170 29.096 25.864 1.00 19.23 O ATOM 386 CB ASN A 40 -23.174 32.197 25.695 1.00 28.65 C ATOM 387 CG ASN A 40 -21.964 32.914 26.253 1.00 32.60 C ATOM 388 OD1 ASN A 40 -20.899 32.322 26.448 1.00 36.38 O ATOM 389 ND2 ASN A 40 -22.128 34.204 26.533 1.00 40.32 N ATOM 390 HD22 ASN A 40 -23.044 34.663 26.352 1.00 0.00 H ATOM 391 HD21 ASN A 40 -21.341 34.754 26.932 1.00 0.00 H ATOM 392 H ASN A 40 -22.337 32.069 23.205 1.00 0.00 H ATOM 393 N ALA A 41 -24.879 30.103 23.984 1.00 18.88 N ATOM 394 CA ALA A 41 -26.021 29.211 23.806 1.00 19.11 C ATOM 395 C ALA A 41 -25.536 27.781 23.561 1.00 17.75 C ATOM 396 O ALA A 41 -26.089 26.827 24.136 1.00 16.01 O ATOM 397 CB ALA A 41 -26.902 29.676 22.682 1.00 20.64 C ATOM 398 H ALA A 41 -24.737 30.884 23.312 1.00 0.00 H ATOM 399 N ALA A 42 -24.510 27.625 22.726 1.00 14.95 N ATOM 400 CA ALA A 42 -23.938 26.291 22.499 1.00 13.50 C ATOM 401 C ALA A 42 -23.342 25.677 23.767 1.00 14.45 C ATOM 402 O ALA A 42 -23.522 24.496 24.021 1.00 13.40 O ATOM 403 CB ALA A 42 -22.890 26.344 21.387 1.00 15.66 C ATOM 404 H ALA A 42 -24.113 28.450 22.233 1.00 0.00 H ATOM 405 N LYS A 43 -22.624 26.473 24.561 1.00 15.40 N ATOM 406 CA LYS A 43 -22.064 25.988 25.814 1.00 13.09 C ATOM 407 C LYS A 43 -23.144 25.540 26.805 1.00 13.54 C ATOM 408 O LYS A 43 -22.959 24.559 27.540 1.00 14.13 O ATOM 409 CB LYS A 43 -21.164 27.062 26.443 1.00 16.61 C ATOM 410 CG LYS A 43 -19.817 27.144 25.757 1.00 16.88 C ATOM 411 CD LYS A 43 -19.034 28.358 26.222 1.00 20.11 C ATOM 412 CE LYS A 43 -17.612 28.281 25.712 1.00 30.76 C ATOM 413 NZ LYS A 43 -16.758 29.386 26.223 1.00 39.05 N ATOM 414 HZ1 LYS A 43 -17.156 30.298 25.921 1.00 0.00 H ATOM 415 HZ2 LYS A 43 -16.727 29.347 27.262 1.00 0.00 H ATOM 416 HZ3 LYS A 43 -15.796 29.283 25.842 1.00 0.00 H ATOM 417 H LYS A 43 -22.461 27.461 24.279 1.00 0.00 H ATOM 418 N SER A 44 -24.257 26.260 26.820 1.00 13.80 N ATOM 419 CA SER A 44 -25.379 25.911 27.684 1.00 14.63 C ATOM 420 C SER A 44 -26.004 24.590 27.232 1.00 16.17 C ATOM 421 O SER A 44 -26.255 23.702 28.040 1.00 14.40 O ATOM 422 CB SER A 44 -26.433 27.025 27.671 1.00 19.70 C ATOM 423 OG SER A 44 -27.472 26.678 28.556 1.00 25.07 O ATOM 424 HG SER A 44 -27.105 26.574 29.469 1.00 0.00 H ATOM 425 H SER A 44 -24.332 27.093 26.202 1.00 0.00 H ATOM 426 N GLU A 45 -26.199 24.437 25.928 1.00 14.53 N ATOM 427 CA GLU A 45 -26.684 23.164 25.414 1.00 13.49 C ATOM 428 C GLU A 45 -25.736 22.038 25.738 1.00 12.81 C ATOM 429 O GLU A 45 -26.156 20.917 26.055 1.00 13.02 O ATOM 430 CB GLU A 45 -26.902 23.226 23.891 1.00 12.28 C ATOM 431 CG GLU A 45 -28.072 24.133 23.530 1.00 14.07 C ATOM 432 CD GLU A 45 -29.407 23.610 24.045 1.00 22.77 C ATOM 433 OE1 GLU A 45 -29.721 22.413 23.841 1.00 20.52 O ATOM 434 OE2 GLU A 45 -30.145 24.404 24.665 1.00 25.80 O ATOM 435 H GLU A 45 -26.006 25.224 25.276 1.00 0.00 H ATOM 436 N LEU A 46 -24.439 22.297 25.620 1.00 12.19 N ATOM 437 CA LEU A 46 -23.481 21.262 25.939 1.00 11.72 C ATOM 438 C LEU A 46 -23.581 20.810 27.398 1.00 13.20 C ATOM 439 O LEU A 46 -23.580 19.629 27.686 1.00 12.67 O ATOM 440 CB LEU A 46 -22.066 21.741 25.603 1.00 12.54 C ATOM 441 CG LEU A 46 -20.983 20.749 26.009 1.00 10.46 C ATOM 442 CD1 LEU A 46 -21.139 19.435 25.179 1.00 13.32 C ATOM 443 CD2 LEU A 46 -19.587 21.332 25.773 1.00 12.92 C ATOM 444 H LEU A 46 -24.116 23.233 25.302 1.00 0.00 H ATOM 445 N ASP A 47 -23.649 21.760 28.324 1.00 12.84 N ATOM 446 CA ASP A 47 -23.708 21.412 29.725 1.00 11.60 C ATOM 447 C ASP A 47 -24.976 20.614 30.025 1.00 12.84 C ATOM 448 O ASP A 47 -24.921 19.652 30.810 1.00 14.89 O ATOM 449 CB ASP A 47 -23.665 22.692 30.544 1.00 15.84 C ATOM 450 CG ASP A 47 -22.296 23.352 30.512 1.00 22.13 C ATOM 451 OD1 ASP A 47 -21.345 22.779 29.948 1.00 19.53 O ATOM 452 OD2 ASP A 47 -22.163 24.449 31.086 1.00 23.31 O ATOM 453 H ASP A 47 -23.660 22.760 28.039 1.00 0.00 H ATOM 454 N LYS A 48 -26.076 20.982 29.378 1.00 13.55 N ATOM 455 CA LYS A 48 -27.364 20.285 29.530 1.00 14.27 C ATOM 456 C LYS A 48 -27.245 18.846 28.985 1.00 13.91 C ATOM 457 O LYS A 48 -27.693 17.899 29.616 1.00 12.69 O ATOM 458 CB LYS A 48 -28.469 21.072 28.798 1.00 18.26 C ATOM 459 CG LYS A 48 -29.820 20.402 28.699 1.00 18.73 C ATOM 460 CD LYS A 48 -30.933 21.402 28.342 1.00 16.30 C ATOM 461 CE LYS A 48 -30.744 22.115 27.018 1.00 19.81 C ATOM 462 NZ LYS A 48 -31.067 21.255 25.884 1.00 16.90 N ATOM 463 HZ1 LYS A 48 -30.447 20.420 25.896 1.00 0.00 H ATOM 464 HZ2 LYS A 48 -32.060 20.952 25.952 1.00 0.00 H ATOM 465 HZ3 LYS A 48 -30.924 21.782 24.999 1.00 0.00 H ATOM 466 H LYS A 48 -26.025 21.798 28.736 1.00 0.00 H ATOM 467 N ALA A 49 -26.585 18.685 27.841 1.00 13.04 N ATOM 468 CA ALA A 49 -26.440 17.350 27.243 1.00 11.81 C ATOM 469 C ALA A 49 -25.547 16.398 28.054 1.00 12.30 C ATOM 470 O ALA A 49 -25.792 15.197 28.115 1.00 12.50 O ATOM 471 CB ALA A 49 -25.891 17.483 25.783 1.00 12.76 C ATOM 472 H ALA A 49 -26.168 19.511 27.366 1.00 0.00 H ATOM 473 N ILE A 50 -24.503 16.932 28.669 1.00 11.16 N ATOM 474 CA ILE A 50 -23.518 16.117 29.357 1.00 10.63 C ATOM 475 C ILE A 50 -23.852 15.982 30.838 1.00 11.43 C ATOM 476 O ILE A 50 -23.475 15.002 31.472 1.00 15.89 O ATOM 477 CB ILE A 50 -22.115 16.782 29.216 1.00 13.05 C ATOM 478 CG1 ILE A 50 -21.743 16.893 27.733 1.00 15.43 C ATOM 479 CG2 ILE A 50 -21.055 16.026 30.005 1.00 14.12 C ATOM 480 CD1 ILE A 50 -21.673 15.566 27.036 1.00 18.08 C ATOM 481 H ILE A 50 -24.385 17.965 28.659 1.00 0.00 H ATOM 482 N GLY A 51 -24.561 16.970 31.379 1.00 13.78 N ATOM 483 CA GLY A 51 -24.948 16.953 32.788 1.00 16.10 C ATOM 484 C GLY A 51 -23.902 17.495 33.751 1.00 18.39 C ATOM 485 O GLY A 51 -23.916 17.166 34.934 1.00 19.95 O ATOM 486 H GLY A 51 -24.847 17.774 30.784 1.00 0.00 H ATOM 487 N ARG A 52 -22.973 18.301 33.252 1.00 17.71 N ATOM 488 CA ARG A 52 -22.001 18.982 34.128 1.00 21.50 C ATOM 489 C ARG A 52 -21.556 20.252 33.438 1.00 20.75 C ATOM 490 O ARG A 52 -21.857 20.457 32.261 1.00 16.65 O ATOM 491 CB ARG A 52 -20.790 18.095 34.401 1.00 22.44 C ATOM 492 CG ARG A 52 -19.953 17.792 33.158 1.00 17.75 C ATOM 493 CD ARG A 52 -18.770 16.861 33.445 1.00 20.92 C ATOM 494 NE ARG A 52 -18.023 16.617 32.214 1.00 18.51 N ATOM 495 CZ ARG A 52 -17.041 17.398 31.776 1.00 20.97 C ATOM 496 NH1 ARG A 52 -16.656 18.474 32.481 1.00 19.90 N ATOM 497 NH2 ARG A 52 -16.443 17.107 30.631 1.00 21.43 N ATOM 498 HE ARG A 52 -18.274 15.783 31.646 1.00 0.00 H ATOM 499 HH12 ARG A 52 -15.886 19.078 32.129 1.00 0.00 H ATOM 500 HH11 ARG A 52 -17.127 18.703 33.379 1.00 0.00 H ATOM 501 HH22 ARG A 52 -15.673 17.711 30.278 1.00 0.00 H ATOM 502 HH21 ARG A 52 -16.743 16.275 30.085 1.00 0.00 H ATOM 503 H ARG A 52 -22.930 18.455 32.224 1.00 0.00 H ATOM 504 N ASN A 53 -20.838 21.113 34.159 1.00 18.34 N ATOM 505 CA ASN A 53 -20.308 22.326 33.551 1.00 20.44 C ATOM 506 C ASN A 53 -19.040 22.001 32.776 1.00 18.26 C ATOM 507 O ASN A 53 -17.995 21.736 33.369 1.00 20.85 O ATOM 508 CB ASN A 53 -19.997 23.368 34.623 1.00 22.01 C ATOM 509 CG ASN A 53 -21.236 23.871 35.326 1.00 25.25 C ATOM 510 OD1 ASN A 53 -22.316 23.948 34.739 1.00 26.92 O ATOM 511 ND2 ASN A 53 -21.083 24.229 36.593 1.00 30.84 N ATOM 512 HD22 ASN A 53 -20.151 24.147 37.048 1.00 0.00 H ATOM 513 HD21 ASN A 53 -21.895 24.592 37.132 1.00 0.00 H ATOM 514 H ASN A 53 -20.655 20.917 35.164 1.00 0.00 H ATOM 515 N CYS A 54 -19.130 22.014 31.438 1.00 16.31 N ATOM 516 CA CYS A 54 -18.037 21.518 30.604 1.00 16.94 C ATOM 517 C CYS A 54 -17.070 22.577 30.136 1.00 14.97 C ATOM 518 O CYS A 54 -15.960 22.255 29.737 1.00 18.05 O ATOM 519 CB CYS A 54 -18.592 20.841 29.342 1.00 13.86 C ATOM 520 SG CYS A 54 -19.578 19.383 29.723 1.00 18.41 S ATOM 521 H CYS A 54 -19.991 22.383 30.987 1.00 0.00 H ATOM 522 N ASN A 55 -17.527 23.822 30.149 1.00 18.62 N ATOM 523 CA ASN A 55 -16.786 24.925 29.553 1.00 24.06 C ATOM 524 C ASN A 55 -16.277 24.604 28.146 1.00 18.12 C ATOM 525 O ASN A 55 -15.112 24.888 27.811 1.00 21.80 O ATOM 526 CB ASN A 55 -15.604 25.295 30.443 1.00 20.24 C ATOM 527 CG ASN A 55 -15.033 26.676 30.117 1.00 26.91 C ATOM 528 OD1 ASN A 55 -15.736 27.552 29.598 1.00 32.63 O ATOM 529 ND2 ASN A 55 -13.757 26.866 30.418 1.00 27.09 N ATOM 530 HD22 ASN A 55 -13.206 26.099 30.854 1.00 0.00 H ATOM 531 HD21 ASN A 55 -13.306 27.782 30.219 1.00 0.00 H ATOM 532 H ASN A 55 -18.444 24.017 30.599 1.00 0.00 H ATOM 533 N GLY A 56 -17.135 23.993 27.334 1.00 15.51 N ATOM 534 CA GLY A 56 -16.843 23.765 25.915 1.00 16.39 C ATOM 535 C GLY A 56 -15.976 22.587 25.537 1.00 16.08 C ATOM 536 O GLY A 56 -15.601 22.457 24.374 1.00 17.22 O ATOM 537 H GLY A 56 -18.044 23.666 27.718 1.00 0.00 H ATOM 538 N VAL A 57 -15.632 21.745 26.508 1.00 14.19 N ATOM 539 CA VAL A 57 -14.762 20.612 26.263 1.00 15.20 C ATOM 540 C VAL A 57 -15.316 19.354 26.925 1.00 17.18 C ATOM 541 O VAL A 57 -15.818 19.405 28.052 1.00 17.36 O ATOM 542 CB VAL A 57 -13.360 20.892 26.816 1.00 21.43 C ATOM 543 CG1 VAL A 57 -12.445 19.740 26.512 1.00 24.07 C ATOM 544 CG2 VAL A 57 -12.809 22.165 26.196 1.00 25.82 C ATOM 545 H VAL A 57 -15.997 21.904 27.469 1.00 0.00 H ATOM 546 N ILE A 58 -15.250 18.224 26.216 1.00 14.53 N ATOM 547 CA ILE A 58 -15.710 16.950 26.784 1.00 11.06 C ATOM 548 C ILE A 58 -14.648 15.879 26.646 1.00 14.03 C ATOM 549 O ILE A 58 -13.640 16.088 25.962 1.00 17.52 O ATOM 550 CB ILE A 58 -17.023 16.444 26.109 1.00 12.95 C ATOM 551 CG1 ILE A 58 -16.804 16.190 24.602 1.00 13.20 C ATOM 552 CG2 ILE A 58 -18.187 17.416 26.414 1.00 15.04 C ATOM 553 CD1 ILE A 58 -18.055 15.614 23.897 1.00 13.80 C ATOM 554 H ILE A 58 -14.868 18.247 25.249 1.00 0.00 H ATOM 555 N THR A 59 -14.859 14.746 27.305 1.00 15.47 N ATOM 556 CA THR A 59 -13.952 13.612 27.175 1.00 15.99 C ATOM 557 C THR A 59 -14.345 12.713 26.011 1.00 16.63 C ATOM 558 O THR A 59 -15.446 12.836 25.468 1.00 15.85 O ATOM 559 CB THR A 59 -13.962 12.737 28.430 1.00 16.31 C ATOM 560 OG1 THR A 59 -15.264 12.175 28.583 1.00 17.24 O ATOM 561 CG2 THR A 59 -13.628 13.553 29.676 1.00 20.99 C ATOM 562 HG1 THR A 59 -15.283 11.606 29.393 1.00 0.00 H ATOM 563 H THR A 59 -15.689 14.666 27.927 1.00 0.00 H ATOM 564 N LYS A 60 -13.443 11.820 25.615 1.00 15.19 N ATOM 565 CA LYS A 60 -13.774 10.866 24.562 1.00 15.03 C ATOM 566 C LYS A 60 -14.961 9.982 24.957 1.00 15.61 C ATOM 567 O LYS A 60 -15.836 9.739 24.119 1.00 13.09 O ATOM 568 CB LYS A 60 -12.551 10.018 24.199 1.00 18.03 C ATOM 569 CG LYS A 60 -12.750 9.104 23.005 1.00 19.61 C ATOM 570 CD LYS A 60 -11.451 8.402 22.638 1.00 28.45 C ATOM 571 CE LYS A 60 -11.631 7.475 21.447 1.00 23.51 C ATOM 572 H LYS A 60 -12.501 11.802 26.056 1.00 0.00 H ATOM 573 N ASP A 61 -15.021 9.526 26.216 1.00 17.89 N ATOM 574 CA ASP A 61 -16.158 8.713 26.664 1.00 15.72 C ATOM 575 C ASP A 61 -17.477 9.483 26.548 1.00 17.15 C ATOM 576 O ASP A 61 -18.492 8.931 26.129 1.00 14.21 O ATOM 577 CB ASP A 61 -16.000 8.228 28.114 1.00 16.49 C ATOM 578 CG ASP A 61 -14.853 7.249 28.292 1.00 30.27 C ATOM 579 OD1 ASP A 61 -14.268 6.799 27.286 1.00 34.37 O ATOM 580 OD2 ASP A 61 -14.543 6.922 29.456 1.00 34.36 O ATOM 581 H ASP A 61 -14.254 9.750 26.882 1.00 0.00 H ATOM 582 N GLU A 62 -17.454 10.761 26.904 1.00 14.93 N ATOM 583 CA GLU A 62 -18.649 11.595 26.759 1.00 12.04 C ATOM 584 C GLU A 62 -19.060 11.760 25.288 1.00 13.75 C ATOM 585 O GLU A 62 -20.251 11.695 24.954 1.00 11.94 O ATOM 586 CB GLU A 62 -18.443 12.956 27.437 1.00 11.58 C ATOM 587 CG GLU A 62 -18.488 12.836 28.969 1.00 14.18 C ATOM 588 CD GLU A 62 -17.945 14.039 29.690 1.00 18.94 C ATOM 589 OE1 GLU A 62 -17.249 14.863 29.068 1.00 17.48 O ATOM 590 OE2 GLU A 62 -18.209 14.144 30.909 1.00 18.47 O ATOM 591 H GLU A 62 -16.580 11.174 27.289 1.00 0.00 H ATOM 592 N ALA A 63 -18.083 11.955 24.413 1.00 11.83 N ATOM 593 CA ALA A 63 -18.378 12.062 22.971 1.00 10.51 C ATOM 594 C ALA A 63 -19.005 10.776 22.457 1.00 10.22 C ATOM 595 O ALA A 63 -19.970 10.816 21.691 1.00 11.30 O ATOM 596 CB ALA A 63 -17.121 12.407 22.204 1.00 12.04 C ATOM 597 H ALA A 63 -17.101 12.033 24.746 1.00 0.00 H ATOM 598 N GLU A 64 -18.473 9.632 22.877 1.00 12.16 N ATOM 599 CA GLU A 64 -19.006 8.353 22.429 1.00 11.00 C ATOM 600 C GLU A 64 -20.402 8.099 23.002 1.00 9.48 C ATOM 601 O GLU A 64 -21.243 7.498 22.321 1.00 12.01 O ATOM 602 CB GLU A 64 -18.016 7.235 22.797 1.00 13.32 C ATOM 603 CG GLU A 64 -16.768 7.374 21.944 1.00 14.70 C ATOM 604 CD GLU A 64 -15.643 6.462 22.381 1.00 23.29 C ATOM 605 OE1 GLU A 64 -15.642 6.006 23.553 1.00 27.38 O ATOM 606 OE2 GLU A 64 -14.759 6.214 21.540 1.00 27.39 O ATOM 607 H GLU A 64 -17.667 9.651 23.533 1.00 0.00 H ATOM 608 N LYS A 65 -20.674 8.600 24.212 1.00 10.47 N ATOM 609 CA LYS A 65 -22.021 8.446 24.763 1.00 10.54 C ATOM 610 C LYS A 65 -23.050 9.254 23.956 1.00 10.55 C ATOM 611 O LYS A 65 -24.138 8.753 23.620 1.00 12.34 O ATOM 612 CB LYS A 65 -22.075 8.822 26.259 1.00 11.51 C ATOM 613 CG LYS A 65 -23.424 8.486 26.890 1.00 14.88 C ATOM 614 CD LYS A 65 -23.337 8.591 28.406 1.00 18.41 C ATOM 615 CE LYS A 65 -24.680 8.200 29.049 1.00 21.08 C ATOM 616 NZ LYS A 65 -24.552 8.234 30.532 1.00 21.94 N ATOM 617 HZ1 LYS A 65 -23.816 7.562 30.831 1.00 0.00 H ATOM 618 HZ2 LYS A 65 -24.290 9.194 30.834 1.00 0.00 H ATOM 619 HZ3 LYS A 65 -25.461 7.969 30.963 1.00 0.00 H ATOM 620 H LYS A 65 -19.937 9.093 24.755 1.00 0.00 H ATOM 621 N LEU A 66 -22.710 10.506 23.647 1.00 10.20 N ATOM 622 CA LEU A 66 -23.576 11.312 22.773 1.00 10.89 C ATOM 623 C LEU A 66 -23.781 10.615 21.432 1.00 8.56 C ATOM 624 O LEU A 66 -24.883 10.632 20.890 1.00 10.22 O ATOM 625 CB LEU A 66 -23.017 12.730 22.534 1.00 9.56 C ATOM 626 CG LEU A 66 -22.875 13.655 23.751 1.00 12.96 C ATOM 627 CD1 LEU A 66 -22.265 15.005 23.258 1.00 15.88 C ATOM 628 CD2 LEU A 66 -24.214 13.880 24.413 1.00 14.65 C ATOM 629 H LEU A 66 -21.831 10.913 24.025 1.00 0.00 H ATOM 630 N PHE A 67 -22.711 10.027 20.899 1.00 9.59 N ATOM 631 CA PHE A 67 -22.797 9.351 19.607 1.00 8.12 C ATOM 632 C PHE A 67 -23.746 8.158 19.668 1.00 8.81 C ATOM 633 O PHE A 67 -24.568 7.978 18.754 1.00 11.06 O ATOM 634 CB PHE A 67 -21.376 8.939 19.228 1.00 9.62 C ATOM 635 CG PHE A 67 -21.208 8.370 17.833 1.00 9.39 C ATOM 636 CD1 PHE A 67 -21.884 8.885 16.729 1.00 9.30 C ATOM 637 CD2 PHE A 67 -20.274 7.367 17.640 1.00 12.09 C ATOM 638 CE1 PHE A 67 -21.660 8.344 15.437 1.00 11.01 C ATOM 639 CE2 PHE A 67 -20.034 6.844 16.369 1.00 11.52 C ATOM 640 CZ PHE A 67 -20.724 7.347 15.254 1.00 11.03 C ATOM 641 H PHE A 67 -21.805 10.050 21.408 1.00 0.00 H ATOM 642 N ASN A 68 -23.658 7.348 20.722 1.00 12.00 N ATOM 643 CA ASN A 68 -24.593 6.235 20.885 1.00 10.31 C ATOM 644 C ASN A 68 -26.039 6.747 20.924 1.00 11.62 C ATOM 645 O ASN A 68 -26.955 6.195 20.292 1.00 11.67 O ATOM 646 CB ASN A 68 -24.292 5.468 22.179 1.00 13.01 C ATOM 647 CG ASN A 68 -23.091 4.551 22.063 1.00 20.41 C ATOM 648 OD1 ASN A 68 -22.844 3.984 21.008 1.00 22.67 O ATOM 649 ND2 ASN A 68 -22.344 4.388 23.166 1.00 23.09 N ATOM 650 HD22 ASN A 68 -22.593 4.891 24.041 1.00 0.00 H ATOM 651 HD21 ASN A 68 -21.517 3.758 23.145 1.00 0.00 H ATOM 652 H ASN A 68 -22.918 7.508 21.435 1.00 0.00 H ATOM 653 N GLN A 69 -26.248 7.825 21.674 1.00 9.71 N ATOM 654 CA GLN A 69 -27.588 8.405 21.763 1.00 10.19 C ATOM 655 C GLN A 69 -28.079 8.905 20.424 1.00 9.37 C ATOM 656 O GLN A 69 -29.259 8.755 20.091 1.00 12.39 O ATOM 657 CB GLN A 69 -27.617 9.563 22.752 1.00 9.67 C ATOM 658 CG GLN A 69 -27.443 9.087 24.177 1.00 9.06 C ATOM 659 CD GLN A 69 -27.299 10.212 25.184 1.00 11.00 C ATOM 660 OE1 GLN A 69 -27.212 11.414 24.820 1.00 16.31 O ATOM 661 NE2 GLN A 69 -27.250 9.840 26.449 1.00 10.92 N ATOM 662 HE22 GLN A 69 -27.327 8.833 26.698 1.00 0.00 H ATOM 663 HE21 GLN A 69 -27.135 10.554 27.197 1.00 0.00 H ATOM 664 H GLN A 69 -25.459 8.256 22.197 1.00 0.00 H ATOM 665 N ASP A 70 -27.177 9.516 19.661 1.00 10.05 N ATOM 666 CA ASP A 70 -27.546 10.094 18.374 1.00 11.36 C ATOM 667 C ASP A 70 -27.827 9.059 17.291 1.00 8.83 C ATOM 668 O ASP A 70 -28.743 9.241 16.490 1.00 11.70 O ATOM 669 CB ASP A 70 -26.435 11.060 17.886 1.00 10.69 C ATOM 670 CG ASP A 70 -26.319 12.306 18.754 1.00 14.67 C ATOM 671 OD1 ASP A 70 -27.285 12.620 19.472 1.00 15.14 O ATOM 672 OD2 ASP A 70 -25.258 12.973 18.711 1.00 13.57 O ATOM 673 H ASP A 70 -26.192 9.583 19.988 1.00 0.00 H ATOM 674 N VAL A 71 -27.064 7.970 17.304 1.00 9.78 N ATOM 675 CA VAL A 71 -27.316 6.895 16.337 1.00 10.05 C ATOM 676 C VAL A 71 -28.645 6.248 16.671 1.00 13.55 C ATOM 677 O VAL A 71 -29.463 5.995 15.775 1.00 11.49 O ATOM 678 CB VAL A 71 -26.183 5.859 16.350 1.00 10.59 C ATOM 679 CG1 VAL A 71 -26.574 4.651 15.495 1.00 11.19 C ATOM 680 CG2 VAL A 71 -24.893 6.486 15.781 1.00 13.60 C ATOM 681 H VAL A 71 -26.293 7.880 17.996 1.00 0.00 H ATOM 682 N ASP A 72 -28.874 5.994 17.956 1.00 12.76 N ATOM 683 CA ASP A 72 -30.146 5.414 18.383 1.00 13.60 C ATOM 684 C ASP A 72 -31.298 6.334 17.973 1.00 13.96 C ATOM 685 O ASP A 72 -32.284 5.881 17.398 1.00 14.91 O ATOM 686 CB ASP A 72 -30.135 5.148 19.892 1.00 14.40 C ATOM 687 CG ASP A 72 -31.313 4.282 20.329 1.00 30.17 C ATOM 688 OD1 ASP A 72 -31.128 3.060 20.511 1.00 46.05 O ATOM 689 OD2 ASP A 72 -32.427 4.824 20.453 1.00 33.24 O ATOM 690 H ASP A 72 -28.142 6.210 18.663 1.00 0.00 H ATOM 691 N ALA A 73 -31.164 7.629 18.214 1.00 13.69 N ATOM 692 CA ALA A 73 -32.203 8.570 17.811 1.00 13.79 C ATOM 693 C ALA A 73 -32.462 8.554 16.305 1.00 14.05 C ATOM 694 O ALA A 73 -33.623 8.670 15.871 1.00 15.79 O ATOM 695 CB ALA A 73 -31.876 9.998 18.282 1.00 14.92 C ATOM 696 H ALA A 73 -30.311 7.978 18.695 1.00 0.00 H ATOM 697 N ALA A 74 -31.415 8.431 15.498 1.00 13.27 N ATOM 698 CA ALA A 74 -31.588 8.374 14.046 1.00 12.34 C ATOM 699 C ALA A 74 -32.368 7.127 13.636 1.00 12.97 C ATOM 700 O ALA A 74 -33.286 7.215 12.831 1.00 13.77 O ATOM 701 CB ALA A 74 -30.244 8.407 13.335 1.00 12.02 C ATOM 702 H ALA A 74 -30.459 8.374 15.903 1.00 0.00 H ATOM 703 N VAL A 75 -32.002 5.980 14.203 1.00 12.49 N ATOM 704 CA VAL A 75 -32.733 4.746 13.888 1.00 13.09 C ATOM 705 C VAL A 75 -34.185 4.832 14.355 1.00 15.53 C ATOM 706 O VAL A 75 -35.106 4.479 13.611 1.00 14.36 O ATOM 707 CB VAL A 75 -32.062 3.545 14.565 1.00 12.04 C ATOM 708 CG1 VAL A 75 -32.925 2.298 14.364 1.00 18.04 C ATOM 709 CG2 VAL A 75 -30.667 3.312 13.973 1.00 14.09 C ATOM 710 H VAL A 75 -31.201 5.958 14.867 1.00 0.00 H ATOM 711 N ARG A 76 -34.409 5.290 15.586 1.00 15.27 N ATOM 712 CA ARG A 76 -35.784 5.409 16.071 1.00 18.23 C ATOM 713 C ARG A 76 -36.630 6.360 15.221 1.00 20.28 C ATOM 714 O ARG A 76 -37.831 6.120 14.994 1.00 20.22 O ATOM 715 CB ARG A 76 -35.774 5.873 17.521 1.00 20.72 C ATOM 716 CG ARG A 76 -35.424 4.782 18.456 1.00 29.39 C ATOM 717 CD ARG A 76 -35.834 5.203 19.844 1.00 39.91 C ATOM 718 NE ARG A 76 -35.368 4.297 20.879 1.00 32.60 N ATOM 719 CZ ARG A 76 -36.063 3.261 21.339 1.00 31.21 C ATOM 720 NH1 ARG A 76 -37.259 2.970 20.837 1.00 28.37 N ATOM 721 NH2 ARG A 76 -35.550 2.514 22.300 1.00 28.36 N ATOM 722 HE ARG A 76 -34.428 4.470 21.288 1.00 0.00 H ATOM 723 HH12 ARG A 76 -37.794 2.157 21.205 1.00 0.00 H ATOM 724 HH11 ARG A 76 -37.660 3.555 20.077 1.00 0.00 H ATOM 725 HH22 ARG A 76 -36.084 1.701 22.668 1.00 0.00 H ATOM 726 HH21 ARG A 76 -34.612 2.739 22.689 1.00 0.00 H ATOM 727 H ARG A 76 -33.612 5.561 16.197 1.00 0.00 H ATOM 728 N GLY A 77 -36.001 7.426 14.740 1.00 14.78 N ATOM 729 CA GLY A 77 -36.657 8.419 13.921 1.00 17.95 C ATOM 730 C GLY A 77 -37.108 7.786 12.626 1.00 21.15 C ATOM 731 O GLY A 77 -38.234 8.002 12.185 1.00 22.00 O ATOM 732 H GLY A 77 -34.993 7.551 14.962 1.00 0.00 H ATOM 733 N ILE A 78 -36.238 6.982 12.025 1.00 12.95 N ATOM 734 CA ILE A 78 -36.622 6.247 10.844 1.00 11.29 C ATOM 735 C ILE A 78 -37.808 5.322 11.122 1.00 15.42 C ATOM 736 O ILE A 78 -38.756 5.286 10.334 1.00 15.56 O ATOM 737 CB ILE A 78 -35.442 5.424 10.297 1.00 10.94 C ATOM 738 CG1 ILE A 78 -34.426 6.347 9.614 1.00 12.57 C ATOM 739 CG2 ILE A 78 -35.931 4.400 9.248 1.00 11.87 C ATOM 740 CD1 ILE A 78 -33.069 5.693 9.455 1.00 15.58 C ATOM 741 H ILE A 78 -35.276 6.882 12.407 1.00 0.00 H ATOM 742 N LEU A 79 -37.751 4.564 12.212 1.00 13.27 N ATOM 743 CA LEU A 79 -38.795 3.565 12.456 1.00 15.72 C ATOM 744 C LEU A 79 -40.138 4.214 12.770 1.00 23.50 C ATOM 745 O LEU A 79 -41.184 3.593 12.545 1.00 21.39 O ATOM 746 CB LEU A 79 -38.385 2.614 13.581 1.00 16.40 C ATOM 747 CG LEU A 79 -37.152 1.742 13.301 1.00 19.51 C ATOM 748 CD1 LEU A 79 -36.803 0.890 14.520 1.00 28.03 C ATOM 749 CD2 LEU A 79 -37.324 0.841 12.065 1.00 23.56 C ATOM 750 H LEU A 79 -36.969 4.679 12.888 1.00 0.00 H ATOM 751 N ARG A 80 -40.125 5.462 13.241 1.00 17.99 N ATOM 752 CA ARG A 80 -41.386 6.166 13.548 1.00 17.92 C ATOM 753 C ARG A 80 -41.947 6.971 12.383 1.00 21.85 C ATOM 754 O ARG A 80 -43.031 7.557 12.491 1.00 24.23 O ATOM 755 CB ARG A 80 -41.198 7.113 14.755 1.00 23.31 C ATOM 756 H ARG A 80 -39.216 5.945 13.394 1.00 0.00 H ATOM 757 N ASN A 81 -41.215 7.035 11.277 1.00 17.99 N ATOM 758 CA ASN A 81 -41.589 7.887 10.173 1.00 17.29 C ATOM 759 C ASN A 81 -42.244 7.035 9.104 1.00 18.10 C ATOM 760 O ASN A 81 -41.632 6.115 8.564 1.00 17.02 O ATOM 761 CB ASN A 81 -40.348 8.580 9.597 1.00 19.56 C ATOM 762 CG ASN A 81 -40.689 9.604 8.557 1.00 20.83 C ATOM 763 OD1 ASN A 81 -41.105 9.262 7.451 1.00 23.66 O ATOM 764 ND2 ASN A 81 -40.468 10.875 8.879 1.00 23.12 N ATOM 765 HD22 ASN A 81 -40.116 11.118 9.827 1.00 0.00 H ATOM 766 HD21 ASN A 81 -40.647 11.627 8.183 1.00 0.00 H ATOM 767 H ASN A 81 -40.353 6.458 11.204 1.00 0.00 H ATOM 768 N ALA A 82 -43.494 7.335 8.786 1.00 19.34 N ATOM 769 CA ALA A 82 -44.236 6.500 7.840 1.00 21.15 C ATOM 770 C ALA A 82 -43.686 6.466 6.412 1.00 18.65 C ATOM 771 O ALA A 82 -43.956 5.510 5.675 1.00 22.56 O ATOM 772 CB ALA A 82 -45.708 6.922 7.830 1.00 26.15 C ATOM 773 H ALA A 82 -43.951 8.168 9.210 1.00 0.00 H ATOM 774 N LYS A 83 -42.939 7.496 6.005 1.00 19.12 N ATOM 775 CA LYS A 83 -42.296 7.497 4.684 1.00 20.25 C ATOM 776 C LYS A 83 -40.976 6.746 4.682 1.00 19.90 C ATOM 777 O LYS A 83 -40.615 6.100 3.691 1.00 22.81 O ATOM 778 CB LYS A 83 -42.074 8.922 4.163 1.00 24.50 C ATOM 779 CG LYS A 83 -43.370 9.666 3.835 1.00 32.51 C ATOM 780 H LYS A 83 -42.810 8.313 6.635 1.00 0.00 H ATOM 781 N LEU A 84 -40.252 6.806 5.791 1.00 13.71 N ATOM 782 CA LEU A 84 -38.932 6.202 5.838 1.00 11.63 C ATOM 783 C LEU A 84 -38.922 4.730 6.232 1.00 10.38 C ATOM 784 O LEU A 84 -38.124 3.948 5.699 1.00 13.67 O ATOM 785 CB LEU A 84 -38.018 6.975 6.807 1.00 12.33 C ATOM 786 CG LEU A 84 -37.772 8.436 6.437 1.00 16.08 C ATOM 787 CD1 LEU A 84 -36.865 9.059 7.520 1.00 14.45 C ATOM 788 CD2 LEU A 84 -37.176 8.622 5.057 1.00 19.41 C ATOM 789 H LEU A 84 -40.631 7.288 6.631 1.00 0.00 H ATOM 790 N LYS A 85 -39.779 4.349 7.163 1.00 12.78 N ATOM 791 CA LYS A 85 -39.755 2.974 7.656 1.00 13.05 C ATOM 792 C LYS A 85 -39.908 1.905 6.567 1.00 13.39 C ATOM 793 O LYS A 85 -39.126 0.960 6.538 1.00 14.18 O ATOM 794 CB LYS A 85 -40.787 2.761 8.775 1.00 14.58 C ATOM 795 CG LYS A 85 -40.691 1.368 9.373 1.00 16.49 C ATOM 796 CD LYS A 85 -41.702 1.176 10.477 1.00 23.29 C ATOM 797 CE LYS A 85 -41.426 -0.122 11.241 1.00 29.79 C ATOM 798 NZ LYS A 85 -41.701 -1.305 10.399 1.00 33.67 N ATOM 799 HZ1 LYS A 85 -42.699 -1.297 10.107 1.00 0.00 H ATOM 800 HZ2 LYS A 85 -41.092 -1.279 9.557 1.00 0.00 H ATOM 801 HZ3 LYS A 85 -41.505 -2.169 10.943 1.00 0.00 H ATOM 802 H LYS A 85 -40.469 5.027 7.544 1.00 0.00 H ATOM 803 N PRO A 86 -40.879 2.056 5.656 1.00 12.85 N ATOM 804 CA PRO A 86 -40.990 0.994 4.640 1.00 14.29 C ATOM 805 C PRO A 86 -39.759 0.871 3.764 1.00 13.26 C ATOM 806 O PRO A 86 -39.381 -0.235 3.378 1.00 14.55 O ATOM 807 CB PRO A 86 -42.227 1.386 3.817 1.00 16.93 C ATOM 808 CG PRO A 86 -42.633 2.742 4.297 1.00 20.77 C ATOM 809 CD PRO A 86 -42.022 2.975 5.651 1.00 15.56 C ATOM 810 N VAL A 87 -39.132 1.988 3.420 1.00 12.47 N ATOM 811 CA VAL A 87 -37.946 1.913 2.596 1.00 11.19 C ATOM 812 C VAL A 87 -36.808 1.272 3.390 1.00 9.67 C ATOM 813 O VAL A 87 -36.106 0.375 2.927 1.00 11.20 O ATOM 814 CB VAL A 87 -37.534 3.317 2.109 1.00 14.57 C ATOM 815 CG1 VAL A 87 -36.354 3.205 1.170 1.00 14.68 C ATOM 816 CG2 VAL A 87 -38.731 4.027 1.418 1.00 15.45 C ATOM 817 H VAL A 87 -39.490 2.910 3.740 1.00 0.00 H ATOM 818 N TYR A 88 -36.637 1.704 4.638 1.00 10.27 N ATOM 819 CA TYR A 88 -35.611 1.119 5.467 1.00 11.53 C ATOM 820 C TYR A 88 -35.792 -0.375 5.619 1.00 13.89 C ATOM 821 O TYR A 88 -34.848 -1.141 5.415 1.00 12.43 O ATOM 822 CB TYR A 88 -35.656 1.820 6.835 1.00 10.57 C ATOM 823 CG TYR A 88 -34.599 1.386 7.824 1.00 13.01 C ATOM 824 CD1 TYR A 88 -33.317 1.944 7.791 1.00 12.75 C ATOM 825 CD2 TYR A 88 -34.875 0.435 8.776 1.00 17.43 C ATOM 826 CE1 TYR A 88 -32.349 1.568 8.704 1.00 14.66 C ATOM 827 CE2 TYR A 88 -33.914 0.047 9.687 1.00 18.95 C ATOM 828 CZ TYR A 88 -32.646 0.622 9.636 1.00 20.00 C ATOM 829 OH TYR A 88 -31.680 0.241 10.541 1.00 21.18 O ATOM 830 HH TYR A 88 -30.846 0.744 10.363 1.00 0.00 H ATOM 831 H TYR A 88 -37.242 2.462 5.014 1.00 0.00 H ATOM 832 N ASP A 89 -37.010 -0.794 5.937 1.00 11.56 N ATOM 833 CA ASP A 89 -37.271 -2.238 6.090 1.00 14.13 C ATOM 834 C ASP A 89 -37.008 -3.023 4.829 1.00 13.69 C ATOM 835 O ASP A 89 -36.669 -4.206 4.893 1.00 14.69 O ATOM 836 CB ASP A 89 -38.713 -2.443 6.529 1.00 13.71 C ATOM 837 CG ASP A 89 -38.910 -2.143 8.021 1.00 21.63 C ATOM 838 OD1 ASP A 89 -37.895 -1.980 8.738 1.00 23.93 O ATOM 839 OD2 ASP A 89 -40.080 -2.077 8.464 1.00 26.60 O ATOM 840 H ASP A 89 -37.778 -0.107 6.078 1.00 0.00 H ATOM 841 N SER A 90 -37.153 -2.385 3.677 1.00 10.77 N ATOM 842 CA SER A 90 -36.879 -3.072 2.414 1.00 11.27 C ATOM 843 C SER A 90 -35.396 -3.309 2.126 1.00 12.92 C ATOM 844 O SER A 90 -35.044 -4.130 1.282 1.00 12.46 O ATOM 845 CB SER A 90 -37.544 -2.311 1.243 1.00 12.95 C ATOM 846 OG SER A 90 -36.769 -1.195 0.836 1.00 12.81 O ATOM 847 HG SER A 90 -36.667 -0.570 1.597 1.00 0.00 H ATOM 848 H SER A 90 -37.463 -1.392 3.670 1.00 0.00 H ATOM 849 N LEU A 91 -34.526 -2.558 2.809 1.00 11.62 N ATOM 850 CA LEU A 91 -33.089 -2.546 2.529 1.00 11.67 C ATOM 851 C LEU A 91 -32.343 -3.680 3.227 1.00 10.37 C ATOM 852 O LEU A 91 -32.778 -4.175 4.281 1.00 12.80 O ATOM 853 CB LEU A 91 -32.488 -1.197 2.966 1.00 10.72 C ATOM 854 CG LEU A 91 -32.976 0.043 2.180 1.00 11.79 C ATOM 855 CD1 LEU A 91 -32.393 1.271 2.875 1.00 12.01 C ATOM 856 CD2 LEU A 91 -32.532 -0.033 0.736 1.00 12.54 C ATOM 857 H LEU A 91 -34.887 -1.954 3.575 1.00 0.00 H ATOM 858 N ASP A 92 -31.233 -4.088 2.612 1.00 10.06 N ATOM 859 CA ASP A 92 -30.248 -4.943 3.248 1.00 10.43 C ATOM 860 C ASP A 92 -29.458 -4.179 4.318 1.00 13.16 C ATOM 861 O ASP A 92 -29.531 -2.942 4.400 1.00 11.96 O ATOM 862 CB ASP A 92 -29.271 -5.434 2.206 1.00 14.24 C ATOM 863 CG ASP A 92 -28.614 -4.296 1.490 1.00 12.32 C ATOM 864 OD1 ASP A 92 -29.216 -3.811 0.495 1.00 13.96 O ATOM 865 OD2 ASP A 92 -27.502 -3.884 1.939 1.00 14.18 O ATOM 866 H ASP A 92 -31.065 -3.780 1.633 1.00 0.00 H ATOM 867 N ALA A 93 -28.696 -4.908 5.125 1.00 14.34 N ATOM 868 CA ALA A 93 -28.013 -4.291 6.254 1.00 15.62 C ATOM 869 C ALA A 93 -27.032 -3.180 5.886 1.00 12.73 C ATOM 870 O ALA A 93 -26.921 -2.198 6.647 1.00 14.56 O ATOM 871 CB ALA A 93 -27.294 -5.363 7.110 1.00 15.93 C ATOM 872 H ALA A 93 -28.586 -5.927 4.950 1.00 0.00 H ATOM 873 N VAL A 94 -26.287 -3.342 4.806 1.00 12.96 N ATOM 874 CA VAL A 94 -25.306 -2.310 4.432 1.00 12.92 C ATOM 875 C VAL A 94 -26.019 -1.046 3.995 1.00 12.28 C ATOM 876 O VAL A 94 -25.681 0.091 4.432 1.00 8.83 O ATOM 877 CB VAL A 94 -24.345 -2.815 3.371 1.00 11.35 C ATOM 878 CG1 VAL A 94 -23.391 -1.661 2.896 1.00 14.31 C ATOM 879 CG2 VAL A 94 -23.548 -3.993 3.912 1.00 16.84 C ATOM 880 H VAL A 94 -26.394 -4.196 4.222 1.00 0.00 H ATOM 881 N ARG A 95 -27.062 -1.211 3.187 1.00 10.01 N ATOM 882 CA ARG A 95 -27.773 -0.039 2.707 1.00 7.68 C ATOM 883 C ARG A 95 -28.545 0.616 3.870 1.00 9.32 C ATOM 884 O ARG A 95 -28.732 1.843 3.873 1.00 9.35 O ATOM 885 CB ARG A 95 -28.665 -0.427 1.516 1.00 9.57 C ATOM 886 CG ARG A 95 -27.830 -0.771 0.297 1.00 8.10 C ATOM 887 CD ARG A 95 -28.797 -0.991 -0.889 1.00 10.47 C ATOM 888 NE ARG A 95 -28.098 -1.156 -2.170 1.00 10.42 N ATOM 889 CZ ARG A 95 -27.774 -2.342 -2.699 1.00 10.70 C ATOM 890 NH1 ARG A 95 -28.025 -3.470 -2.038 1.00 13.57 N ATOM 891 NH2 ARG A 95 -27.142 -2.373 -3.870 1.00 14.31 N ATOM 892 HE ARG A 95 -27.839 -0.299 -2.699 1.00 0.00 H ATOM 893 HH12 ARG A 95 -27.769 -4.387 -2.458 1.00 0.00 H ATOM 894 HH11 ARG A 95 -28.477 -3.435 -1.102 1.00 0.00 H ATOM 895 HH22 ARG A 95 -26.882 -3.285 -4.297 1.00 0.00 H ATOM 896 HH21 ARG A 95 -26.908 -1.485 -4.358 1.00 0.00 H ATOM 897 H ARG A 95 -27.364 -2.165 2.903 1.00 0.00 H ATOM 898 N ARG A 96 -28.957 -0.158 4.875 1.00 9.04 N ATOM 899 CA ARG A 96 -29.599 0.464 6.036 1.00 9.61 C ATOM 900 C ARG A 96 -28.627 1.422 6.707 1.00 10.56 C ATOM 901 O ARG A 96 -29.063 2.432 7.280 1.00 10.53 O ATOM 902 CB ARG A 96 -30.083 -0.577 7.056 1.00 10.37 C ATOM 903 CG ARG A 96 -31.352 -1.261 6.587 1.00 11.96 C ATOM 904 CD ARG A 96 -31.833 -2.302 7.605 1.00 13.46 C ATOM 905 NE ARG A 96 -33.019 -2.965 7.073 1.00 14.70 N ATOM 906 CZ ARG A 96 -33.528 -4.086 7.585 1.00 19.15 C ATOM 907 NH1 ARG A 96 -32.956 -4.648 8.641 1.00 19.50 N ATOM 908 NH2 ARG A 96 -34.614 -4.636 7.052 1.00 16.32 N ATOM 909 HE ARG A 96 -33.493 -2.540 6.250 1.00 0.00 H ATOM 910 HH12 ARG A 96 -33.351 -5.522 9.042 1.00 0.00 H ATOM 911 HH11 ARG A 96 -32.113 -4.214 9.068 1.00 0.00 H ATOM 912 HH22 ARG A 96 -35.006 -5.510 7.456 1.00 0.00 H ATOM 913 HH21 ARG A 96 -35.072 -4.192 6.231 1.00 0.00 H ATOM 914 H ARG A 96 -28.824 -1.189 4.835 1.00 0.00 H ATOM 915 N CYS A 97 -27.331 1.108 6.645 1.00 10.25 N ATOM 916 CA CYS A 97 -26.329 1.995 7.261 1.00 11.91 C ATOM 917 C CYS A 97 -26.245 3.313 6.516 1.00 11.18 C ATOM 918 O CYS A 97 -26.167 4.383 7.135 1.00 8.71 O ATOM 919 CB CYS A 97 -24.934 1.369 7.314 1.00 10.08 C ATOM 920 SG CYS A 97 -24.836 0.041 8.520 1.00 13.02 S ATOM 921 H CYS A 97 -27.029 0.238 6.162 1.00 0.00 H ATOM 922 N ALA A 98 -26.311 3.245 5.190 1.00 9.85 N ATOM 923 CA ALA A 98 -26.369 4.463 4.352 1.00 8.75 C ATOM 924 C ALA A 98 -27.591 5.316 4.718 1.00 9.52 C ATOM 925 O ALA A 98 -27.491 6.534 4.851 1.00 10.38 O ATOM 926 CB ALA A 98 -26.339 4.105 2.868 1.00 9.75 C ATOM 927 H ALA A 98 -26.322 2.312 4.730 1.00 0.00 H ATOM 928 N ALA A 99 -28.727 4.667 4.938 1.00 9.32 N ATOM 929 CA ALA A 99 -29.927 5.388 5.345 1.00 10.41 C ATOM 930 C ALA A 99 -29.781 6.093 6.686 1.00 9.55 C ATOM 931 O ALA A 99 -30.182 7.249 6.851 1.00 10.42 O ATOM 932 CB ALA A 99 -31.115 4.399 5.370 1.00 9.14 C ATOM 933 H ALA A 99 -28.762 3.634 4.819 1.00 0.00 H ATOM 934 N ILE A 100 -29.228 5.376 7.663 1.00 7.75 N ATOM 935 CA ILE A 100 -29.002 5.958 8.989 1.00 8.64 C ATOM 936 C ILE A 100 -28.052 7.151 8.869 1.00 8.07 C ATOM 937 O ILE A 100 -28.278 8.195 9.505 1.00 11.37 O ATOM 938 CB ILE A 100 -28.481 4.912 9.986 1.00 8.26 C ATOM 939 CG1 ILE A 100 -29.537 3.833 10.222 1.00 9.63 C ATOM 940 CG2 ILE A 100 -28.157 5.621 11.302 1.00 10.99 C ATOM 941 CD1 ILE A 100 -28.943 2.590 10.915 1.00 12.68 C ATOM 942 H ILE A 100 -28.953 4.389 7.482 1.00 0.00 H ATOM 943 N ASN A 101 -27.003 6.996 8.061 1.00 9.48 N ATOM 944 CA ASN A 101 -26.026 8.066 7.850 1.00 8.91 C ATOM 945 C ASN A 101 -26.714 9.347 7.361 1.00 9.96 C ATOM 946 O ASN A 101 -26.488 10.419 7.923 1.00 10.74 O ATOM 947 CB ASN A 101 -24.931 7.538 6.867 1.00 7.82 C ATOM 948 CG ASN A 101 -23.720 8.438 6.795 1.00 10.09 C ATOM 949 OD1 ASN A 101 -23.848 9.646 6.642 1.00 11.76 O ATOM 950 ND2 ASN A 101 -22.543 7.862 6.951 1.00 9.70 N ATOM 951 HD22 ASN A 101 -22.481 6.832 7.078 1.00 0.00 H ATOM 952 HD21 ASN A 101 -21.677 8.438 6.947 1.00 0.00 H ATOM 953 H ASN A 101 -26.875 6.090 7.567 1.00 0.00 H ATOM 954 N MET A 102 -27.594 9.232 6.371 1.00 9.79 N ATOM 955 CA MET A 102 -28.280 10.401 5.837 1.00 9.40 C ATOM 956 C MET A 102 -29.137 11.042 6.928 1.00 10.69 C ATOM 957 O MET A 102 -29.171 12.257 7.043 1.00 12.34 O ATOM 958 CB MET A 102 -29.171 10.054 4.618 1.00 8.99 C ATOM 959 CG MET A 102 -28.335 9.718 3.429 1.00 9.90 C ATOM 960 SD MET A 102 -29.392 9.589 1.961 1.00 13.90 S ATOM 961 CE MET A 102 -29.750 11.298 1.494 1.00 14.45 C ATOM 962 H MET A 102 -27.796 8.293 5.972 1.00 0.00 H ATOM 963 N VAL A 103 -29.864 10.222 7.699 1.00 9.43 N ATOM 964 CA VAL A 103 -30.749 10.767 8.729 1.00 12.02 C ATOM 965 C VAL A 103 -29.935 11.418 9.834 1.00 10.80 C ATOM 966 O VAL A 103 -30.342 12.443 10.393 1.00 13.38 O ATOM 967 CB VAL A 103 -31.702 9.683 9.256 1.00 11.30 C ATOM 968 CG1 VAL A 103 -32.432 10.159 10.526 1.00 13.63 C ATOM 969 CG2 VAL A 103 -32.736 9.348 8.158 1.00 14.14 C ATOM 970 H VAL A 103 -29.799 9.193 7.565 1.00 0.00 H ATOM 971 N PHE A 104 -28.774 10.861 10.135 1.00 11.05 N ATOM 972 CA PHE A 104 -27.889 11.471 11.133 1.00 10.44 C ATOM 973 C PHE A 104 -27.417 12.845 10.658 1.00 12.49 C ATOM 974 O PHE A 104 -27.403 13.817 11.429 1.00 12.65 O ATOM 975 CB PHE A 104 -26.712 10.509 11.396 1.00 9.29 C ATOM 976 CG PHE A 104 -25.757 10.951 12.480 1.00 9.42 C ATOM 977 CD1 PHE A 104 -24.807 11.895 12.238 1.00 11.54 C ATOM 978 CD2 PHE A 104 -25.783 10.315 13.728 1.00 13.30 C ATOM 979 CE1 PHE A 104 -23.914 12.263 13.240 1.00 14.68 C ATOM 980 CE2 PHE A 104 -24.890 10.667 14.713 1.00 13.43 C ATOM 981 CZ PHE A 104 -23.954 11.636 14.458 1.00 14.08 C ATOM 982 H PHE A 104 -28.486 9.982 9.660 1.00 0.00 H ATOM 983 N GLN A 105 -27.063 12.953 9.385 1.00 10.60 N ATOM 984 CA GLN A 105 -26.543 14.212 8.870 1.00 9.79 C ATOM 985 C GLN A 105 -27.629 15.283 8.710 1.00 13.79 C ATOM 986 O GLN A 105 -27.428 16.444 9.094 1.00 15.30 O ATOM 987 CB GLN A 105 -25.816 13.990 7.521 1.00 11.50 C ATOM 988 CG GLN A 105 -25.169 15.295 6.986 1.00 11.66 C ATOM 989 CD GLN A 105 -24.452 15.099 5.664 1.00 14.30 C ATOM 990 OE1 GLN A 105 -24.437 14.023 5.104 1.00 12.96 O ATOM 991 NE2 GLN A 105 -23.896 16.181 5.137 1.00 16.81 N ATOM 992 HE22 GLN A 105 -23.930 17.085 5.649 1.00 0.00 H ATOM 993 HE21 GLN A 105 -23.425 16.125 4.211 1.00 0.00 H ATOM 994 H GLN A 105 -27.157 12.134 8.751 1.00 0.00 H ATOM 995 N MET A 106 -28.772 14.908 8.148 1.00 11.09 N ATOM 996 CA MET A 106 -29.737 15.926 7.758 1.00 12.04 C ATOM 997 C MET A 106 -31.072 15.863 8.481 1.00 14.55 C ATOM 998 O MET A 106 -31.907 16.754 8.299 1.00 17.56 O ATOM 999 CB MET A 106 -29.905 15.961 6.226 1.00 15.75 C ATOM 1000 CG MET A 106 -30.569 14.745 5.650 1.00 13.15 C ATOM 1001 SD MET A 106 -30.730 14.764 3.843 1.00 19.34 S ATOM 1002 CE MET A 106 -29.064 14.425 3.294 1.00 17.90 C ATOM 1003 H MET A 106 -28.975 13.901 7.989 1.00 0.00 H ATOM 1004 N GLY A 107 -31.255 14.850 9.328 1.00 12.50 N ATOM 1005 CA GLY A 107 -32.479 14.692 10.106 1.00 14.50 C ATOM 1006 C GLY A 107 -33.580 14.007 9.312 1.00 17.25 C ATOM 1007 O GLY A 107 -33.503 13.916 8.089 1.00 16.63 O ATOM 1008 H GLY A 107 -30.497 14.146 9.438 1.00 0.00 H ATOM 1009 N GLU A 108 -34.516 13.419 10.056 1.00 21.28 N ATOM 1010 CA GLU A 108 -35.553 12.538 9.511 1.00 23.85 C ATOM 1011 C GLU A 108 -36.478 13.262 8.542 1.00 23.21 C ATOM 1012 O GLU A 108 -36.786 12.751 7.464 1.00 22.46 O ATOM 1013 CB GLU A 108 -36.351 11.892 10.649 1.00 24.77 C ATOM 1014 CG GLU A 108 -37.791 11.602 10.316 1.00 29.80 C ATOM 1015 CD GLU A 108 -38.667 11.450 11.546 1.00 25.17 C ATOM 1016 OE1 GLU A 108 -39.900 11.309 11.377 1.00 30.28 O ATOM 1017 OE2 GLU A 108 -38.131 11.473 12.681 1.00 39.74 O ATOM 1018 H GLU A 108 -34.510 13.595 11.081 1.00 0.00 H ATOM 1019 N THR A 109 -36.926 14.453 8.924 1.00 25.41 N ATOM 1020 CA THR A 109 -37.808 15.228 8.065 1.00 26.49 C ATOM 1021 C THR A 109 -37.129 15.536 6.737 1.00 25.26 C ATOM 1022 O THR A 109 -37.758 15.497 5.664 1.00 24.94 O ATOM 1023 CB THR A 109 -38.228 16.549 8.751 1.00 27.50 C ATOM 1024 OG1 THR A 109 -38.959 16.246 9.945 1.00 32.62 O ATOM 1025 CG2 THR A 109 -39.107 17.380 7.821 1.00 33.01 C ATOM 1026 HG1 THR A 109 -39.230 17.089 10.388 1.00 0.00 H ATOM 1027 H THR A 109 -36.643 14.836 9.848 1.00 0.00 H ATOM 1028 N GLY A 110 -35.841 15.848 6.815 1.00 25.86 N ATOM 1029 CA GLY A 110 -35.072 16.217 5.642 1.00 23.31 C ATOM 1030 C GLY A 110 -34.920 15.076 4.658 1.00 22.90 C ATOM 1031 O GLY A 110 -35.092 15.260 3.453 1.00 26.69 O ATOM 1032 H GLY A 110 -35.371 15.827 7.742 1.00 0.00 H ATOM 1033 N VAL A 111 -34.593 13.888 5.145 1.00 20.23 N ATOM 1034 CA VAL A 111 -34.498 12.740 4.245 1.00 16.73 C ATOM 1035 C VAL A 111 -35.866 12.301 3.686 1.00 22.83 C ATOM 1036 O VAL A 111 -35.976 11.856 2.530 1.00 21.69 O ATOM 1037 CB VAL A 111 -33.870 11.540 4.956 1.00 16.95 C ATOM 1038 CG1 VAL A 111 -33.814 10.345 4.010 1.00 20.87 C ATOM 1039 CG2 VAL A 111 -32.465 11.911 5.435 1.00 18.43 C ATOM 1040 H VAL A 111 -34.405 13.773 6.161 1.00 0.00 H ATOM 1041 N ALA A 112 -36.898 12.391 4.519 1.00 18.63 N ATOM 1042 CA ALA A 112 -38.234 11.950 4.116 1.00 19.97 C ATOM 1043 C ALA A 112 -38.755 12.745 2.923 1.00 25.79 C ATOM 1044 O ALA A 112 -39.693 12.315 2.228 1.00 28.79 O ATOM 1045 CB ALA A 112 -39.210 12.043 5.302 1.00 22.45 C ATOM 1046 H ALA A 112 -36.754 12.781 5.472 1.00 0.00 H ATOM 1047 N GLY A 113 -38.147 13.900 2.677 1.00 21.67 N ATOM 1048 CA GLY A 113 -38.488 14.698 1.503 1.00 24.91 C ATOM 1049 C GLY A 113 -37.833 14.242 0.202 1.00 25.90 C ATOM 1050 O GLY A 113 -38.233 14.687 -0.877 1.00 28.23 O ATOM 1051 H GLY A 113 -37.415 14.242 3.332 1.00 0.00 H ATOM 1052 N PHE A 114 -36.820 13.377 0.305 1.00 23.97 N ATOM 1053 CA PHE A 114 -36.120 12.808 -0.859 1.00 20.24 C ATOM 1054 C PHE A 114 -37.056 11.786 -1.530 1.00 18.04 C ATOM 1055 O PHE A 114 -36.666 10.664 -1.817 1.00 16.62 O ATOM 1056 CB PHE A 114 -34.828 12.104 -0.394 1.00 17.84 C ATOM 1057 CG PHE A 114 -33.569 12.981 -0.371 1.00 17.08 C ATOM 1058 CD1 PHE A 114 -32.540 12.770 -1.284 1.00 18.76 C ATOM 1059 CD2 PHE A 114 -33.404 13.978 0.582 1.00 22.80 C ATOM 1060 CE1 PHE A 114 -31.373 13.549 -1.261 1.00 19.55 C ATOM 1061 CE2 PHE A 114 -32.242 14.760 0.610 1.00 22.87 C ATOM 1062 CZ PHE A 114 -31.231 14.544 -0.310 1.00 20.63 C ATOM 1063 H PHE A 114 -36.510 13.091 1.256 1.00 0.00 H ATOM 1064 N THR A 115 -38.286 12.186 -1.806 1.00 18.04 N ATOM 1065 CA THR A 115 -39.337 11.263 -2.257 1.00 20.37 C ATOM 1066 C THR A 115 -38.974 10.373 -3.438 1.00 19.00 C ATOM 1067 O THR A 115 -39.191 9.164 -3.415 1.00 17.22 O ATOM 1068 CB THR A 115 -40.612 12.037 -2.633 1.00 21.50 C ATOM 1069 OG1 THR A 115 -41.035 12.800 -1.499 1.00 28.03 O ATOM 1070 CG2 THR A 115 -41.735 11.084 -3.082 1.00 24.60 C ATOM 1071 HG1 THR A 115 -41.222 12.189 -0.743 1.00 0.00 H ATOM 1072 H THR A 115 -38.519 13.194 -1.700 1.00 0.00 H ATOM 1073 N ASN A 116 -38.416 10.966 -4.485 1.00 16.07 N ATOM 1074 CA ASN A 116 -38.136 10.204 -5.681 1.00 16.85 C ATOM 1075 C ASN A 116 -36.992 9.214 -5.446 1.00 15.01 C ATOM 1076 O ASN A 116 -37.078 8.075 -5.887 1.00 14.94 O ATOM 1077 CB ASN A 116 -37.876 11.145 -6.865 1.00 16.26 C ATOM 1078 CG ASN A 116 -39.099 12.022 -7.164 1.00 30.59 C ATOM 1079 OD1 ASN A 116 -40.232 11.543 -7.111 1.00 29.57 O ATOM 1080 ND2 ASN A 116 -38.876 13.306 -7.439 1.00 24.06 N ATOM 1081 HD22 ASN A 116 -37.902 13.669 -7.474 1.00 0.00 H ATOM 1082 HD21 ASN A 116 -39.676 13.946 -7.619 1.00 0.00 H ATOM 1083 H ASN A 116 -38.180 11.978 -4.446 1.00 0.00 H ATOM 1084 N SER A 117 -35.970 9.636 -4.696 1.00 11.99 N ATOM 1085 CA SER A 117 -34.874 8.718 -4.357 1.00 12.28 C ATOM 1086 C SER A 117 -35.346 7.569 -3.478 1.00 12.98 C ATOM 1087 O SER A 117 -34.915 6.425 -3.665 1.00 13.25 O ATOM 1088 CB SER A 117 -33.743 9.428 -3.615 1.00 14.79 C ATOM 1089 OG SER A 117 -33.015 10.285 -4.474 1.00 22.56 O ATOM 1090 HG SER A 117 -33.624 10.971 -4.847 1.00 0.00 H ATOM 1091 H SER A 117 -35.950 10.617 -4.351 1.00 0.00 H ATOM 1092 N LEU A 118 -36.209 7.878 -2.519 1.00 12.88 N ATOM 1093 CA LEU A 118 -36.733 6.826 -1.639 1.00 12.45 C ATOM 1094 C LEU A 118 -37.493 5.784 -2.440 1.00 12.33 C ATOM 1095 O LEU A 118 -37.372 4.584 -2.165 1.00 13.50 O ATOM 1096 CB LEU A 118 -37.654 7.422 -0.584 1.00 14.99 C ATOM 1097 CG LEU A 118 -36.956 8.300 0.451 1.00 16.88 C ATOM 1098 CD1 LEU A 118 -38.020 9.080 1.197 1.00 16.30 C ATOM 1099 CD2 LEU A 118 -36.170 7.438 1.423 1.00 17.86 C ATOM 1100 H LEU A 118 -36.514 8.864 -2.391 1.00 0.00 H ATOM 1101 N ARG A 119 -38.284 6.224 -3.417 1.00 12.45 N ATOM 1102 CA ARG A 119 -39.039 5.284 -4.243 1.00 14.65 C ATOM 1103 C ARG A 119 -38.082 4.385 -5.030 1.00 14.61 C ATOM 1104 O ARG A 119 -38.260 3.171 -5.093 1.00 15.08 O ATOM 1105 CB ARG A 119 -39.978 6.037 -5.201 1.00 16.66 C ATOM 1106 CG ARG A 119 -40.862 5.104 -6.043 1.00 22.39 C ATOM 1107 CD ARG A 119 -41.748 5.911 -7.013 1.00 30.46 C ATOM 1108 NE ARG A 119 -40.915 6.716 -7.900 1.00 30.92 N ATOM 1109 CZ ARG A 119 -40.751 8.031 -7.791 1.00 28.30 C ATOM 1110 NH1 ARG A 119 -41.392 8.715 -6.846 1.00 25.76 N ATOM 1111 NH2 ARG A 119 -39.952 8.662 -8.638 1.00 32.57 N ATOM 1112 HE ARG A 119 -40.415 6.228 -8.670 1.00 0.00 H ATOM 1113 HH12 ARG A 119 -41.258 9.743 -6.767 1.00 0.00 H ATOM 1114 HH11 ARG A 119 -42.026 8.221 -6.186 1.00 0.00 H ATOM 1115 HH22 ARG A 119 -39.819 9.690 -8.559 1.00 0.00 H ATOM 1116 HH21 ARG A 119 -39.458 8.129 -9.382 1.00 0.00 H ATOM 1117 H ARG A 119 -38.365 7.246 -3.594 1.00 0.00 H ATOM 1118 N MET A 120 -37.065 4.976 -5.652 1.00 11.61 N ATOM 1119 CA MET A 120 -36.098 4.179 -6.393 1.00 11.69 C ATOM 1120 C MET A 120 -35.376 3.196 -5.482 1.00 12.09 C ATOM 1121 O MET A 120 -35.088 2.090 -5.884 1.00 11.96 O ATOM 1122 CB MET A 120 -35.076 5.079 -7.105 1.00 13.10 C ATOM 1123 CG MET A 120 -35.778 5.974 -8.105 1.00 14.25 C ATOM 1124 SD MET A 120 -34.637 7.151 -8.804 1.00 20.29 S ATOM 1125 CE MET A 120 -35.734 8.282 -9.669 1.00 23.90 C ATOM 1126 H MET A 120 -36.961 6.010 -5.609 1.00 0.00 H ATOM 1127 N LEU A 121 -35.044 3.617 -4.268 1.00 10.48 N ATOM 1128 CA LEU A 121 -34.404 2.691 -3.346 1.00 11.35 C ATOM 1129 C LEU A 121 -35.335 1.549 -2.992 1.00 12.04 C ATOM 1130 O LEU A 121 -34.895 0.404 -2.984 1.00 12.05 O ATOM 1131 CB LEU A 121 -33.914 3.418 -2.055 1.00 9.34 C ATOM 1132 CG LEU A 121 -32.740 4.380 -2.274 1.00 11.84 C ATOM 1133 CD1 LEU A 121 -32.535 5.203 -0.983 1.00 12.36 C ATOM 1134 CD2 LEU A 121 -31.455 3.638 -2.638 1.00 12.59 C ATOM 1135 H LEU A 121 -35.239 4.597 -3.979 1.00 0.00 H ATOM 1136 N GLN A 122 -36.599 1.858 -2.680 1.00 10.15 N ATOM 1137 CA GLN A 122 -37.577 0.788 -2.361 1.00 13.17 C ATOM 1138 C GLN A 122 -37.710 -0.184 -3.531 1.00 14.82 C ATOM 1139 O GLN A 122 -37.883 -1.399 -3.312 1.00 15.60 O ATOM 1140 CB GLN A 122 -38.939 1.388 -2.026 1.00 16.83 C ATOM 1141 CG GLN A 122 -39.901 0.394 -1.316 1.00 21.29 C ATOM 1142 CD GLN A 122 -40.794 1.081 -0.288 1.00 28.71 C ATOM 1143 H GLN A 122 -36.898 2.854 -2.661 1.00 0.00 H ATOM 1144 N GLN A 123 -37.601 0.338 -4.754 1.00 14.03 N ATOM 1145 CA GLN A 123 -37.723 -0.491 -5.969 1.00 12.69 C ATOM 1146 C GLN A 123 -36.419 -1.224 -6.331 1.00 14.57 C ATOM 1147 O GLN A 123 -36.353 -1.947 -7.346 1.00 14.75 O ATOM 1148 CB GLN A 123 -38.157 0.372 -7.174 1.00 14.60 C ATOM 1149 CG GLN A 123 -39.570 0.900 -7.094 1.00 22.39 C ATOM 1150 CD GLN A 123 -39.855 1.912 -8.199 1.00 28.46 C ATOM 1151 OE1 GLN A 123 -38.982 2.693 -8.589 1.00 32.33 O ATOM 1152 NE2 GLN A 123 -41.080 1.912 -8.692 1.00 41.52 N ATOM 1153 HE22 GLN A 123 -41.785 1.236 -8.334 1.00 0.00 H ATOM 1154 HE21 GLN A 123 -41.340 2.588 -9.438 1.00 0.00 H ATOM 1155 H GLN A 123 -37.425 1.358 -4.854 1.00 0.00 H ATOM 1156 N LYS A 124 -35.363 -0.993 -5.540 1.00 11.28 N ATOM 1157 CA LYS A 124 -34.029 -1.535 -5.786 1.00 12.08 C ATOM 1158 C LYS A 124 -33.450 -1.172 -7.152 1.00 11.00 C ATOM 1159 O LYS A 124 -32.709 -1.949 -7.759 1.00 13.06 O ATOM 1160 CB LYS A 124 -34.006 -3.057 -5.542 1.00 13.12 C ATOM 1161 CG LYS A 124 -34.551 -3.419 -4.164 1.00 13.49 C ATOM 1162 CD LYS A 124 -34.174 -4.870 -3.835 1.00 15.34 C ATOM 1163 CE LYS A 124 -34.614 -5.220 -2.423 1.00 13.75 C ATOM 1164 NZ LYS A 124 -34.022 -4.285 -1.401 1.00 15.37 N ATOM 1165 HZ1 LYS A 124 -32.984 -4.340 -1.442 1.00 0.00 H ATOM 1166 HZ2 LYS A 124 -34.327 -3.312 -1.606 1.00 0.00 H ATOM 1167 HZ3 LYS A 124 -34.348 -4.559 -0.452 1.00 0.00 H ATOM 1168 H LYS A 124 -35.501 -0.393 -4.702 1.00 0.00 H ATOM 1169 N ARG A 125 -33.786 0.030 -7.605 1.00 11.53 N ATOM 1170 CA ARG A 125 -33.241 0.584 -8.838 1.00 11.36 C ATOM 1171 C ARG A 125 -32.010 1.393 -8.429 1.00 11.17 C ATOM 1172 O ARG A 125 -32.054 2.621 -8.333 1.00 12.97 O ATOM 1173 CB ARG A 125 -34.303 1.437 -9.537 1.00 14.18 C ATOM 1174 CG ARG A 125 -35.472 0.572 -10.045 1.00 14.94 C ATOM 1175 CD ARG A 125 -36.570 1.404 -10.687 1.00 21.15 C ATOM 1176 NE ARG A 125 -37.635 0.542 -11.202 1.00 17.44 N ATOM 1177 CZ ARG A 125 -38.405 0.856 -12.237 1.00 25.63 C ATOM 1178 NH1 ARG A 125 -38.217 2.001 -12.872 1.00 32.58 N ATOM 1179 NH2 ARG A 125 -39.352 0.019 -12.640 1.00 23.30 N ATOM 1180 HE ARG A 125 -37.798 -0.370 -10.729 1.00 0.00 H ATOM 1181 HH12 ARG A 125 -38.818 2.251 -13.683 1.00 0.00 H ATOM 1182 HH11 ARG A 125 -37.468 2.652 -12.560 1.00 0.00 H ATOM 1183 HH22 ARG A 125 -39.954 0.267 -13.451 1.00 0.00 H ATOM 1184 HH21 ARG A 125 -39.492 -0.885 -12.145 1.00 0.00 H ATOM 1185 H ARG A 125 -34.464 0.598 -7.059 1.00 0.00 H ATOM 1186 N TRP A 126 -30.915 0.684 -8.154 1.00 11.59 N ATOM 1187 CA TRP A 126 -29.799 1.308 -7.439 1.00 10.58 C ATOM 1188 C TRP A 126 -29.058 2.391 -8.211 1.00 12.52 C ATOM 1189 O TRP A 126 -28.721 3.437 -7.663 1.00 12.75 O ATOM 1190 CB TRP A 126 -28.795 0.248 -7.000 1.00 11.44 C ATOM 1191 CG TRP A 126 -29.393 -0.904 -6.217 1.00 10.31 C ATOM 1192 CD1 TRP A 126 -29.286 -2.241 -6.535 1.00 11.95 C ATOM 1193 CD2 TRP A 126 -30.164 -0.843 -4.998 1.00 10.37 C ATOM 1194 NE1 TRP A 126 -29.938 -2.997 -5.597 1.00 12.70 N ATOM 1195 CE2 TRP A 126 -30.490 -2.166 -4.646 1.00 10.62 C ATOM 1196 CE3 TRP A 126 -30.627 0.202 -4.193 1.00 10.05 C ATOM 1197 CZ2 TRP A 126 -31.218 -2.477 -3.497 1.00 11.34 C ATOM 1198 CZ3 TRP A 126 -31.360 -0.103 -3.054 1.00 12.09 C ATOM 1199 CH2 TRP A 126 -31.660 -1.431 -2.722 1.00 12.25 C ATOM 1200 HE1 TRP A 126 -30.006 -4.035 -5.602 1.00 0.00 H ATOM 1201 H TRP A 126 -30.853 -0.312 -8.447 1.00 0.00 H ATOM 1202 N ASP A 127 -28.773 2.133 -9.481 1.00 13.24 N ATOM 1203 CA ASP A 127 -28.089 3.156 -10.270 1.00 13.56 C ATOM 1204 C ASP A 127 -28.962 4.376 -10.448 1.00 13.93 C ATOM 1205 O ASP A 127 -28.470 5.504 -10.335 1.00 13.94 O ATOM 1206 CB ASP A 127 -27.679 2.617 -11.659 1.00 15.35 C ATOM 1207 CG ASP A 127 -26.460 1.714 -11.611 1.00 22.78 C ATOM 1208 OD1 ASP A 127 -26.103 1.204 -10.537 1.00 24.20 O ATOM 1209 OD2 ASP A 127 -25.873 1.462 -12.683 1.00 23.13 O ATOM 1210 H ASP A 127 -29.031 1.220 -9.907 1.00 0.00 H ATOM 1211 N GLU A 128 -30.258 4.178 -10.682 1.00 12.94 N ATOM 1212 CA GLU A 128 -31.174 5.308 -10.806 1.00 14.00 C ATOM 1213 C GLU A 128 -31.243 6.094 -9.499 1.00 12.36 C ATOM 1214 O GLU A 128 -31.253 7.332 -9.506 1.00 14.00 O ATOM 1215 CB GLU A 128 -32.571 4.816 -11.208 1.00 16.02 C ATOM 1216 CG GLU A 128 -32.614 4.250 -12.638 1.00 21.15 C ATOM 1217 CD GLU A 128 -34.026 3.873 -13.040 1.00 29.96 C ATOM 1218 OE1 GLU A 128 -34.744 4.742 -13.577 1.00 34.18 O ATOM 1219 OE2 GLU A 128 -34.424 2.715 -12.801 1.00 26.55 O ATOM 1220 H GLU A 128 -30.621 3.208 -10.777 1.00 0.00 H ATOM 1221 N ALA A 129 -31.338 5.380 -8.382 1.00 10.77 N ATOM 1222 CA ALA A 129 -31.342 6.048 -7.075 1.00 9.35 C ATOM 1223 C ALA A 129 -30.097 6.872 -6.880 1.00 10.98 C ATOM 1224 O ALA A 129 -30.168 7.982 -6.368 1.00 13.09 O ATOM 1225 CB ALA A 129 -31.451 5.010 -5.953 1.00 12.43 C ATOM 1226 H ALA A 129 -31.410 4.344 -8.434 1.00 0.00 H ATOM 1227 N ALA A 130 -28.948 6.317 -7.264 1.00 11.96 N ATOM 1228 CA ALA A 130 -27.668 6.995 -7.087 1.00 11.84 C ATOM 1229 C ALA A 130 -27.637 8.300 -7.869 1.00 13.80 C ATOM 1230 O ALA A 130 -27.169 9.327 -7.364 1.00 13.87 O ATOM 1231 CB ALA A 130 -26.521 6.079 -7.550 1.00 14.39 C ATOM 1232 H ALA A 130 -28.964 5.374 -7.702 1.00 0.00 H ATOM 1233 N VAL A 131 -28.143 8.253 -9.101 1.00 11.78 N ATOM 1234 CA VAL A 131 -28.190 9.456 -9.939 1.00 11.19 C ATOM 1235 C VAL A 131 -29.112 10.482 -9.297 1.00 13.01 C ATOM 1236 O VAL A 131 -28.787 11.651 -9.205 1.00 15.53 O ATOM 1237 CB VAL A 131 -28.644 9.117 -11.371 1.00 13.36 C ATOM 1238 CG1 VAL A 131 -28.980 10.381 -12.131 1.00 17.22 C ATOM 1239 CG2 VAL A 131 -27.556 8.331 -12.056 1.00 17.30 C ATOM 1240 H VAL A 131 -28.509 7.353 -9.473 1.00 0.00 H ATOM 1241 N ASN A 132 -30.266 10.042 -8.829 1.00 10.84 N ATOM 1242 CA ASN A 132 -31.219 10.981 -8.237 1.00 11.87 C ATOM 1243 C ASN A 132 -30.710 11.614 -6.944 1.00 12.71 C ATOM 1244 O ASN A 132 -30.902 12.802 -6.701 1.00 12.46 O ATOM 1245 CB ASN A 132 -32.551 10.272 -7.986 1.00 13.08 C ATOM 1246 CG ASN A 132 -33.647 11.227 -7.609 1.00 16.03 C ATOM 1247 OD1 ASN A 132 -33.954 11.439 -6.426 1.00 18.24 O ATOM 1248 ND2 ASN A 132 -34.203 11.868 -8.611 1.00 17.60 N ATOM 1249 HD22 ASN A 132 -33.914 11.657 -9.588 1.00 0.00 H ATOM 1250 HD21 ASN A 132 -34.932 12.586 -8.428 1.00 0.00 H ATOM 1251 H ASN A 132 -30.497 9.029 -8.881 1.00 0.00 H ATOM 1252 N LEU A 133 -30.032 10.814 -6.119 1.00 12.36 N ATOM 1253 CA LEU A 133 -29.556 11.304 -4.833 1.00 11.41 C ATOM 1254 C LEU A 133 -28.529 12.406 -5.030 1.00 12.49 C ATOM 1255 O LEU A 133 -28.411 13.284 -4.186 1.00 13.91 O ATOM 1256 CB LEU A 133 -28.916 10.154 -4.033 1.00 11.49 C ATOM 1257 CG LEU A 133 -29.864 9.160 -3.387 1.00 10.57 C ATOM 1258 CD1 LEU A 133 -29.121 7.862 -3.047 1.00 11.75 C ATOM 1259 CD2 LEU A 133 -30.489 9.764 -2.128 1.00 11.82 C ATOM 1260 H LEU A 133 -29.842 9.830 -6.397 1.00 0.00 H ATOM 1261 N ALA A 134 -27.802 12.362 -6.141 1.00 12.29 N ATOM 1262 CA ALA A 134 -26.751 13.347 -6.380 1.00 11.64 C ATOM 1263 C ALA A 134 -27.303 14.678 -6.859 1.00 11.64 C ATOM 1264 O ALA A 134 -26.571 15.685 -6.841 1.00 14.06 O ATOM 1265 CB ALA A 134 -25.701 12.811 -7.335 1.00 14.89 C ATOM 1266 H ALA A 134 -27.983 11.620 -6.847 1.00 0.00 H ATOM 1267 N LYS A 135 -28.564 14.696 -7.279 1.00 11.96 N ATOM 1268 CA LYS A 135 -29.230 15.931 -7.705 1.00 12.26 C ATOM 1269 C LYS A 135 -29.777 16.648 -6.479 1.00 11.80 C ATOM 1270 O LYS A 135 -30.983 16.740 -6.285 1.00 14.41 O ATOM 1271 CB LYS A 135 -30.353 15.633 -8.713 1.00 12.57 C ATOM 1272 CG LYS A 135 -29.830 15.030 -9.996 1.00 15.79 C ATOM 1273 CD LYS A 135 -30.981 14.637 -10.920 1.00 21.65 C ATOM 1274 CE LYS A 135 -30.446 13.881 -12.136 1.00 26.21 C ATOM 1275 NZ LYS A 135 -31.554 13.466 -13.058 1.00 29.17 N ATOM 1276 HZ1 LYS A 135 -32.213 12.844 -12.548 1.00 0.00 H ATOM 1277 HZ2 LYS A 135 -32.060 14.311 -13.392 1.00 0.00 H ATOM 1278 HZ3 LYS A 135 -31.154 12.956 -13.871 1.00 0.00 H ATOM 1279 H LYS A 135 -29.097 13.803 -7.306 1.00 0.00 H ATOM 1280 N SER A 136 -28.875 17.120 -5.624 1.00 10.65 N ATOM 1281 CA SER A 136 -29.310 17.584 -4.309 1.00 11.06 C ATOM 1282 C SER A 136 -28.356 18.596 -3.754 1.00 12.11 C ATOM 1283 O SER A 136 -27.160 18.552 -4.053 1.00 10.78 O ATOM 1284 CB SER A 136 -29.406 16.410 -3.305 1.00 11.70 C ATOM 1285 OG SER A 136 -28.136 15.775 -3.143 1.00 11.42 O ATOM 1286 HG SER A 136 -27.830 15.424 -4.017 1.00 0.00 H ATOM 1287 H SER A 136 -27.870 17.158 -5.889 1.00 0.00 H ATOM 1288 N ARG A 137 -28.880 19.478 -2.916 1.00 9.25 N ATOM 1289 CA ARG A 137 -28.003 20.399 -2.190 1.00 9.10 C ATOM 1290 C ARG A 137 -27.003 19.604 -1.374 1.00 12.27 C ATOM 1291 O ARG A 137 -25.810 19.947 -1.293 1.00 11.35 O ATOM 1292 CB ARG A 137 -28.800 21.380 -1.296 1.00 9.45 C ATOM 1293 CG ARG A 137 -27.850 22.303 -0.487 1.00 13.88 C ATOM 1294 CD ARG A 137 -28.561 23.248 0.450 1.00 17.50 C ATOM 1295 NE ARG A 137 -27.591 24.168 1.053 1.00 17.74 N ATOM 1296 CZ ARG A 137 -26.859 23.898 2.129 1.00 19.95 C ATOM 1297 NH1 ARG A 137 -26.970 22.736 2.754 1.00 20.77 N ATOM 1298 NH2 ARG A 137 -25.998 24.809 2.578 1.00 18.72 N ATOM 1299 HE ARG A 137 -27.467 25.099 0.606 1.00 0.00 H ATOM 1300 HH12 ARG A 137 -26.390 22.540 3.595 1.00 0.00 H ATOM 1301 HH11 ARG A 137 -27.637 22.019 2.404 1.00 0.00 H ATOM 1302 HH22 ARG A 137 -25.420 24.608 3.419 1.00 0.00 H ATOM 1303 HH21 ARG A 137 -25.903 25.721 2.088 1.00 0.00 H ATOM 1304 H ARG A 137 -29.910 19.516 -2.774 1.00 0.00 H ATOM 1305 N TRP A 138 -27.481 18.511 -0.789 1.00 11.53 N ATOM 1306 CA TRP A 138 -26.630 17.628 0.011 1.00 12.23 C ATOM 1307 C TRP A 138 -25.369 17.225 -0.732 1.00 12.25 C ATOM 1308 O TRP A 138 -24.242 17.380 -0.213 1.00 13.35 O ATOM 1309 CB TRP A 138 -27.453 16.390 0.341 1.00 10.47 C ATOM 1310 CG TRP A 138 -26.700 15.271 0.981 1.00 11.09 C ATOM 1311 CD1 TRP A 138 -25.977 15.323 2.142 1.00 12.00 C ATOM 1312 CD2 TRP A 138 -26.645 13.918 0.529 1.00 9.32 C ATOM 1313 NE1 TRP A 138 -25.465 14.064 2.444 1.00 13.73 N ATOM 1314 CE2 TRP A 138 -25.888 13.183 1.487 1.00 10.32 C ATOM 1315 CE3 TRP A 138 -27.176 13.249 -0.573 1.00 10.15 C ATOM 1316 CZ2 TRP A 138 -25.646 11.821 1.361 1.00 9.80 C ATOM 1317 CZ3 TRP A 138 -26.945 11.886 -0.704 1.00 11.38 C ATOM 1318 CH2 TRP A 138 -26.175 11.183 0.253 1.00 11.40 C ATOM 1319 HE1 TRP A 138 -24.863 13.832 3.260 1.00 0.00 H ATOM 1320 H TRP A 138 -28.488 18.276 -0.902 1.00 0.00 H ATOM 1321 N TYR A 139 -25.523 16.738 -1.954 1.00 11.17 N ATOM 1322 CA TYR A 139 -24.379 16.309 -2.731 1.00 10.61 C ATOM 1323 C TYR A 139 -23.482 17.489 -3.060 1.00 14.24 C ATOM 1324 O TYR A 139 -22.260 17.379 -2.976 1.00 14.54 O ATOM 1325 CB TYR A 139 -24.867 15.585 -4.005 1.00 11.43 C ATOM 1326 CG TYR A 139 -23.801 15.147 -4.967 1.00 12.83 C ATOM 1327 CD1 TYR A 139 -23.249 13.884 -4.866 1.00 16.10 C ATOM 1328 CD2 TYR A 139 -23.407 15.969 -6.018 1.00 21.03 C ATOM 1329 CE1 TYR A 139 -22.299 13.450 -5.767 1.00 20.13 C ATOM 1330 CE2 TYR A 139 -22.453 15.550 -6.927 1.00 26.65 C ATOM 1331 CZ TYR A 139 -21.905 14.282 -6.791 1.00 32.20 C ATOM 1332 OH TYR A 139 -20.951 13.830 -7.676 1.00 45.19 O ATOM 1333 HH TYR A 139 -20.678 12.912 -7.425 1.00 0.00 H ATOM 1334 H TYR A 139 -26.477 16.663 -2.360 1.00 0.00 H ATOM 1335 N ASN A 140 -24.068 18.615 -3.461 1.00 9.69 N ATOM 1336 CA ASN A 140 -23.224 19.726 -3.868 1.00 9.77 C ATOM 1337 C ASN A 140 -22.460 20.361 -2.698 1.00 12.29 C ATOM 1338 O ASN A 140 -21.319 20.836 -2.865 1.00 14.44 O ATOM 1339 CB ASN A 140 -24.083 20.764 -4.588 1.00 13.74 C ATOM 1340 CG ASN A 140 -24.392 20.354 -6.008 1.00 18.62 C ATOM 1341 OD1 ASN A 140 -23.522 20.448 -6.889 1.00 21.54 O ATOM 1342 ND2 ASN A 140 -25.604 19.856 -6.247 1.00 14.49 N ATOM 1343 HD22 ASN A 140 -26.302 19.796 -5.479 1.00 0.00 H ATOM 1344 HD21 ASN A 140 -25.852 19.527 -7.202 1.00 0.00 H ATOM 1345 H ASN A 140 -25.104 18.698 -3.483 1.00 0.00 H ATOM 1346 N GLN A 141 -23.047 20.364 -1.511 1.00 11.32 N ATOM 1347 CA GLN A 141 -22.386 20.974 -0.367 1.00 10.16 C ATOM 1348 C GLN A 141 -21.391 20.058 0.354 1.00 13.13 C ATOM 1349 O GLN A 141 -20.392 20.537 0.896 1.00 14.78 O ATOM 1350 CB GLN A 141 -23.418 21.486 0.629 1.00 13.52 C ATOM 1351 CG GLN A 141 -24.367 22.527 0.052 1.00 16.14 C ATOM 1352 CD GLN A 141 -23.673 23.783 -0.436 1.00 17.15 C ATOM 1353 OE1 GLN A 141 -22.810 24.360 0.268 1.00 20.44 O ATOM 1354 NE2 GLN A 141 -24.016 24.200 -1.648 1.00 16.22 N ATOM 1355 HE22 GLN A 141 -24.738 23.684 -2.190 1.00 0.00 H ATOM 1356 HE21 GLN A 141 -23.563 25.042 -2.056 1.00 0.00 H ATOM 1357 H GLN A 141 -23.984 19.929 -1.396 1.00 0.00 H ATOM 1358 N THR A 142 -21.658 18.755 0.392 1.00 12.22 N ATOM 1359 CA THR A 142 -20.708 17.800 0.988 1.00 11.82 C ATOM 1360 C THR A 142 -20.496 16.662 -0.009 1.00 13.14 C ATOM 1361 O THR A 142 -20.950 15.530 0.208 1.00 11.72 O ATOM 1362 CB THR A 142 -21.172 17.255 2.394 1.00 13.01 C ATOM 1363 OG1 THR A 142 -22.502 16.729 2.305 1.00 15.48 O ATOM 1364 CG2 THR A 142 -21.195 18.351 3.421 1.00 13.36 C ATOM 1365 HG1 THR A 142 -23.120 17.445 2.014 1.00 0.00 H ATOM 1366 H THR A 142 -22.553 18.405 -0.006 1.00 0.00 H ATOM 1367 N PRO A 143 -19.811 16.939 -1.119 1.00 11.22 N ATOM 1368 CA PRO A 143 -19.761 15.921 -2.177 1.00 11.78 C ATOM 1369 C PRO A 143 -18.943 14.698 -1.807 1.00 12.76 C ATOM 1370 O PRO A 143 -19.318 13.621 -2.229 1.00 12.58 O ATOM 1371 CB PRO A 143 -19.131 16.663 -3.376 1.00 13.12 C ATOM 1372 CG PRO A 143 -18.444 17.850 -2.750 1.00 12.19 C ATOM 1373 CD PRO A 143 -19.305 18.247 -1.586 1.00 11.44 C ATOM 1374 N ASN A 144 -17.836 14.830 -1.091 1.00 11.14 N ATOM 1375 CA ASN A 144 -17.073 13.630 -0.817 1.00 11.75 C ATOM 1376 C ASN A 144 -17.847 12.662 0.085 1.00 11.29 C ATOM 1377 O ASN A 144 -17.832 11.443 -0.139 1.00 11.29 O ATOM 1378 CB ASN A 144 -15.724 13.998 -0.207 1.00 11.42 C ATOM 1379 CG ASN A 144 -14.777 14.619 -1.245 1.00 18.67 C ATOM 1380 OD1 ASN A 144 -15.124 14.749 -2.424 1.00 25.88 O ATOM 1381 ND2 ASN A 144 -13.591 14.991 -0.804 1.00 21.01 N ATOM 1382 HD22 ASN A 144 -13.345 14.861 0.198 1.00 0.00 H ATOM 1383 HD21 ASN A 144 -12.902 15.414 -1.458 1.00 0.00 H ATOM 1384 H ASN A 144 -17.527 15.759 -0.740 1.00 0.00 H ATOM 1385 N ARG A 145 -18.532 13.206 1.080 1.00 10.41 N ATOM 1386 CA ARG A 145 -19.317 12.356 1.971 1.00 10.17 C ATOM 1387 C ARG A 145 -20.527 11.810 1.234 1.00 10.68 C ATOM 1388 O ARG A 145 -20.859 10.631 1.385 1.00 10.26 O ATOM 1389 CB ARG A 145 -19.785 13.120 3.198 1.00 11.54 C ATOM 1390 CG ARG A 145 -20.571 12.172 4.109 1.00 16.51 C ATOM 1391 CD ARG A 145 -21.298 12.939 5.055 1.00 21.33 C ATOM 1392 NE ARG A 145 -22.006 12.125 6.034 1.00 13.21 N ATOM 1393 CZ ARG A 145 -22.160 12.568 7.263 1.00 12.64 C ATOM 1394 NH1 ARG A 145 -21.676 13.767 7.607 1.00 17.13 N ATOM 1395 NH2 ARG A 145 -22.852 11.867 8.128 1.00 11.44 N ATOM 1396 HE ARG A 145 -22.388 11.197 5.762 1.00 0.00 H ATOM 1397 HH12 ARG A 145 -21.798 14.118 8.579 1.00 0.00 H ATOM 1398 HH11 ARG A 145 -21.178 14.348 6.903 1.00 0.00 H ATOM 1399 HH22 ARG A 145 -22.975 12.215 9.100 1.00 0.00 H ATOM 1400 HH21 ARG A 145 -23.278 10.962 7.842 1.00 0.00 H ATOM 1401 H ARG A 145 -18.511 14.235 1.226 1.00 0.00 H ATOM 1402 N ALA A 146 -21.217 12.656 0.462 1.00 10.90 N ATOM 1403 CA ALA A 146 -22.377 12.178 -0.265 1.00 8.90 C ATOM 1404 C ALA A 146 -21.984 11.098 -1.243 1.00 11.51 C ATOM 1405 O ALA A 146 -22.706 10.104 -1.380 1.00 12.17 O ATOM 1406 CB ALA A 146 -23.136 13.342 -0.970 1.00 11.94 C ATOM 1407 H ALA A 146 -20.924 13.651 0.383 1.00 0.00 H ATOM 1408 N LYS A 147 -20.834 11.251 -1.901 1.00 10.70 N ATOM 1409 CA LYS A 147 -20.378 10.211 -2.820 1.00 10.22 C ATOM 1410 C LYS A 147 -20.179 8.880 -2.101 1.00 11.33 C ATOM 1411 O LYS A 147 -20.513 7.829 -2.664 1.00 12.10 O ATOM 1412 CB LYS A 147 -19.095 10.618 -3.549 1.00 13.57 C ATOM 1413 CG LYS A 147 -19.314 11.652 -4.624 1.00 17.69 C ATOM 1414 CD LYS A 147 -17.960 12.048 -5.253 1.00 23.57 C ATOM 1415 CE LYS A 147 -18.108 13.237 -6.198 1.00 31.62 C ATOM 1416 H LYS A 147 -20.263 12.109 -1.760 1.00 0.00 H ATOM 1417 N ARG A 148 -19.637 8.912 -0.891 1.00 11.31 N ATOM 1418 CA ARG A 148 -19.443 7.656 -0.128 1.00 9.02 C ATOM 1419 C ARG A 148 -20.766 7.016 0.191 1.00 9.66 C ATOM 1420 O ARG A 148 -20.918 5.812 0.032 1.00 11.18 O ATOM 1421 CB ARG A 148 -18.629 7.866 1.165 1.00 8.86 C ATOM 1422 CG ARG A 148 -17.149 8.173 0.921 1.00 9.84 C ATOM 1423 CD ARG A 148 -16.379 8.075 2.230 1.00 9.92 C ATOM 1424 NE ARG A 148 -16.698 9.163 3.163 1.00 12.01 N ATOM 1425 CZ ARG A 148 -16.134 10.375 3.154 1.00 15.91 C ATOM 1426 NH1 ARG A 148 -15.195 10.704 2.260 1.00 12.84 N ATOM 1427 NH2 ARG A 148 -16.495 11.252 4.087 1.00 10.12 N ATOM 1428 HE ARG A 148 -17.420 8.976 3.888 1.00 0.00 H ATOM 1429 HH12 ARG A 148 -14.773 11.654 2.275 1.00 0.00 H ATOM 1430 HH11 ARG A 148 -14.887 10.010 1.550 1.00 0.00 H ATOM 1431 HH22 ARG A 148 -16.070 12.201 4.101 1.00 0.00 H ATOM 1432 HH21 ARG A 148 -17.202 10.988 4.803 1.00 0.00 H ATOM 1433 H ARG A 148 -19.347 9.821 -0.476 1.00 0.00 H ATOM 1434 N VAL A 149 -21.713 7.818 0.671 1.00 10.71 N ATOM 1435 CA VAL A 149 -23.022 7.288 1.083 1.00 7.91 C ATOM 1436 C VAL A 149 -23.742 6.784 -0.193 1.00 9.57 C ATOM 1437 O VAL A 149 -24.323 5.692 -0.190 1.00 9.34 O ATOM 1438 CB VAL A 149 -23.830 8.401 1.762 1.00 8.69 C ATOM 1439 CG1 VAL A 149 -25.317 7.950 1.975 1.00 11.41 C ATOM 1440 CG2 VAL A 149 -23.151 8.748 3.110 1.00 10.25 C ATOM 1441 H VAL A 149 -21.525 8.837 0.756 1.00 0.00 H ATOM 1442 N ILE A 150 -23.677 7.543 -1.273 1.00 11.18 N ATOM 1443 CA ILE A 150 -24.325 7.092 -2.511 1.00 8.53 C ATOM 1444 C ILE A 150 -23.727 5.800 -3.053 1.00 14.13 C ATOM 1445 O ILE A 150 -24.468 4.928 -3.541 1.00 11.42 O ATOM 1446 CB ILE A 150 -24.310 8.209 -3.630 1.00 9.95 C ATOM 1447 CG1 ILE A 150 -25.223 9.338 -3.171 1.00 12.11 C ATOM 1448 CG2 ILE A 150 -24.743 7.665 -5.019 1.00 14.82 C ATOM 1449 CD1 ILE A 150 -25.074 10.633 -4.003 1.00 11.90 C ATOM 1450 H ILE A 150 -23.171 8.451 -1.246 1.00 0.00 H ATOM 1451 N THR A 151 -22.400 5.663 -2.982 1.00 13.53 N ATOM 1452 CA THR A 151 -21.763 4.422 -3.446 1.00 13.88 C ATOM 1453 C THR A 151 -22.246 3.260 -2.597 1.00 11.16 C ATOM 1454 O THR A 151 -22.418 2.157 -3.119 1.00 11.89 O ATOM 1455 CB THR A 151 -20.236 4.545 -3.366 1.00 13.72 C ATOM 1456 OG1 THR A 151 -19.839 5.433 -4.404 1.00 16.25 O ATOM 1457 CG2 THR A 151 -19.538 3.175 -3.584 1.00 16.13 C ATOM 1458 HG1 THR A 151 -18.855 5.540 -4.387 1.00 0.00 H ATOM 1459 H THR A 151 -21.817 6.434 -2.598 1.00 0.00 H ATOM 1460 N THR A 152 -22.455 3.500 -1.305 1.00 10.54 N ATOM 1461 CA THR A 152 -22.946 2.476 -0.411 1.00 9.91 C ATOM 1462 C THR A 152 -24.367 2.049 -0.837 1.00 14.10 C ATOM 1463 O THR A 152 -24.681 0.850 -0.852 1.00 13.16 O ATOM 1464 CB THR A 152 -22.862 2.956 1.056 1.00 8.04 C ATOM 1465 OG1 THR A 152 -21.531 3.411 1.285 1.00 10.48 O ATOM 1466 CG2 THR A 152 -23.164 1.840 1.987 1.00 11.04 C ATOM 1467 HG1 THR A 152 -21.327 4.156 0.665 1.00 0.00 H ATOM 1468 H THR A 152 -22.260 4.450 -0.928 1.00 0.00 H ATOM 1469 N PHE A 153 -25.227 3.010 -1.176 1.00 10.82 N ATOM 1470 CA PHE A 153 -26.559 2.649 -1.655 1.00 10.24 C ATOM 1471 C PHE A 153 -26.473 1.987 -3.042 1.00 13.07 C ATOM 1472 O PHE A 153 -27.285 1.103 -3.381 1.00 12.93 O ATOM 1473 CB PHE A 153 -27.427 3.911 -1.809 1.00 10.31 C ATOM 1474 CG PHE A 153 -28.120 4.377 -0.587 1.00 11.71 C ATOM 1475 CD1 PHE A 153 -28.944 3.526 0.152 1.00 10.84 C ATOM 1476 CD2 PHE A 153 -28.005 5.705 -0.184 1.00 12.94 C ATOM 1477 CE1 PHE A 153 -29.644 3.999 1.263 1.00 11.44 C ATOM 1478 CE2 PHE A 153 -28.706 6.185 0.931 1.00 11.42 C ATOM 1479 CZ PHE A 153 -29.514 5.324 1.667 1.00 11.44 C ATOM 1480 H PHE A 153 -24.951 4.010 -1.100 1.00 0.00 H ATOM 1481 N ARG A 154 -25.551 2.430 -3.880 1.00 12.04 N ATOM 1482 CA ARG A 154 -25.505 1.884 -5.241 1.00 11.58 C ATOM 1483 C ARG A 154 -25.088 0.416 -5.220 1.00 13.04 C ATOM 1484 O ARG A 154 -25.651 -0.415 -5.956 1.00 16.03 O ATOM 1485 CB ARG A 154 -24.558 2.697 -6.133 1.00 14.16 C ATOM 1486 CG ARG A 154 -24.586 2.279 -7.605 1.00 15.61 C ATOM 1487 CD ARG A 154 -23.649 3.136 -8.460 1.00 17.03 C ATOM 1488 NE ARG A 154 -22.263 3.208 -7.967 1.00 21.67 N ATOM 1489 CZ ARG A 154 -21.301 2.313 -8.225 1.00 34.49 C ATOM 1490 NH1 ARG A 154 -21.551 1.224 -8.955 1.00 26.43 N ATOM 1491 NH2 ARG A 154 -20.079 2.496 -7.730 1.00 33.78 N ATOM 1492 HE ARG A 154 -22.011 4.021 -7.369 1.00 0.00 H ATOM 1493 HH12 ARG A 154 -20.791 0.540 -9.145 1.00 0.00 H ATOM 1494 HH11 ARG A 154 -22.506 1.060 -9.334 1.00 0.00 H ATOM 1495 HH22 ARG A 154 -19.329 1.803 -7.928 1.00 0.00 H ATOM 1496 HH21 ARG A 154 -19.874 3.332 -7.145 1.00 0.00 H ATOM 1497 H ARG A 154 -24.869 3.155 -3.579 1.00 0.00 H ATOM 1498 N THR A 155 -24.098 0.093 -4.392 1.00 12.62 N ATOM 1499 CA THR A 155 -23.430 -1.224 -4.440 1.00 15.08 C ATOM 1500 C THR A 155 -23.813 -2.172 -3.327 1.00 15.48 C ATOM 1501 O THR A 155 -23.677 -3.391 -3.472 1.00 15.49 O ATOM 1502 CB THR A 155 -21.893 -1.096 -4.370 1.00 14.29 C ATOM 1503 OG1 THR A 155 -21.502 -0.572 -3.074 1.00 14.77 O ATOM 1504 CG2 THR A 155 -21.383 -0.143 -5.475 1.00 12.39 C ATOM 1505 HG1 THR A 155 -21.912 0.320 -2.943 1.00 0.00 H ATOM 1506 H THR A 155 -23.784 0.791 -3.688 1.00 0.00 H ATOM 1507 N GLY A 156 -24.244 -1.643 -2.195 1.00 13.96 N ATOM 1508 CA GLY A 156 -24.544 -2.508 -1.091 1.00 11.70 C ATOM 1509 C GLY A 156 -23.289 -3.078 -0.454 1.00 12.63 C ATOM 1510 O GLY A 156 -23.357 -4.111 0.219 1.00 13.52 O ATOM 1511 H GLY A 156 -24.364 -0.614 -2.106 1.00 0.00 H ATOM 1512 N THR A 157 -22.150 -2.422 -0.694 1.00 12.58 N ATOM 1513 CA THR A 157 -20.866 -2.809 -0.129 1.00 12.27 C ATOM 1514 C THR A 157 -20.257 -1.615 0.578 1.00 11.93 C ATOM 1515 O THR A 157 -20.737 -0.496 0.453 1.00 13.91 O ATOM 1516 CB THR A 157 -19.846 -3.222 -1.202 1.00 13.12 C ATOM 1517 OG1 THR A 157 -19.369 -2.070 -1.928 1.00 16.01 O ATOM 1518 CG2 THR A 157 -20.473 -4.187 -2.181 1.00 16.11 C ATOM 1519 HG1 THR A 157 -20.132 -1.620 -2.370 1.00 0.00 H ATOM 1520 H THR A 157 -22.183 -1.591 -1.318 1.00 0.00 H ATOM 1521 N TRP A 158 -19.185 -1.891 1.310 1.00 10.87 N ATOM 1522 CA TRP A 158 -18.444 -0.881 2.037 1.00 10.28 C ATOM 1523 C TRP A 158 -17.254 -0.360 1.237 1.00 12.18 C ATOM 1524 O TRP A 158 -16.336 0.219 1.815 1.00 14.64 O ATOM 1525 CB TRP A 158 -17.942 -1.461 3.353 1.00 11.03 C ATOM 1526 CG TRP A 158 -19.014 -1.738 4.340 1.00 11.29 C ATOM 1527 CD1 TRP A 158 -19.418 -2.950 4.802 1.00 11.02 C ATOM 1528 CD2 TRP A 158 -19.813 -0.768 5.007 1.00 11.60 C ATOM 1529 NE1 TRP A 158 -20.435 -2.809 5.716 1.00 14.52 N ATOM 1530 CE2 TRP A 158 -20.675 -1.470 5.894 1.00 12.01 C ATOM 1531 CE3 TRP A 158 -19.869 0.629 4.963 1.00 12.69 C ATOM 1532 CZ2 TRP A 158 -21.611 -0.816 6.704 1.00 12.31 C ATOM 1533 CZ3 TRP A 158 -20.773 1.287 5.807 1.00 14.66 C ATOM 1534 CH2 TRP A 158 -21.626 0.570 6.658 1.00 13.38 C ATOM 1535 HE1 TRP A 158 -20.937 -3.586 6.192 1.00 0.00 H ATOM 1536 H TRP A 158 -18.862 -2.878 1.364 1.00 0.00 H ATOM 1537 N ASP A 159 -17.285 -0.522 -0.079 1.00 13.60 N ATOM 1538 CA ASP A 159 -16.130 -0.167 -0.903 1.00 15.18 C ATOM 1539 C ASP A 159 -15.677 1.291 -0.725 1.00 16.61 C ATOM 1540 O ASP A 159 -14.469 1.586 -0.741 1.00 17.36 O ATOM 1541 CB ASP A 159 -16.396 -0.469 -2.372 1.00 18.29 C ATOM 1542 CG ASP A 159 -16.365 -1.959 -2.681 1.00 27.27 C ATOM 1543 OD1 ASP A 159 -16.106 -2.771 -1.759 1.00 28.47 O ATOM 1544 OD2 ASP A 159 -16.586 -2.310 -3.859 1.00 35.05 O ATOM 1545 H ASP A 159 -18.140 -0.906 -0.530 1.00 0.00 H ATOM 1546 N ALA A 160 -16.625 2.206 -0.515 1.00 14.13 N ATOM 1547 CA ALA A 160 -16.255 3.613 -0.377 1.00 13.86 C ATOM 1548 C ALA A 160 -15.582 3.949 0.941 1.00 15.46 C ATOM 1549 O ALA A 160 -14.994 5.026 1.056 1.00 21.47 O ATOM 1550 CB ALA A 160 -17.510 4.525 -0.543 1.00 14.11 C ATOM 1551 H ALA A 160 -17.623 1.919 -0.450 1.00 0.00 H ATOM 1552 N TYR A 161 -15.698 3.074 1.935 1.00 13.24 N ATOM 1553 CA TYR A 161 -15.164 3.333 3.280 1.00 15.57 C ATOM 1554 C TYR A 161 -13.929 2.499 3.567 1.00 25.84 C ATOM 1555 O TYR A 161 -13.228 2.736 4.535 1.00 25.29 O ATOM 1556 CB TYR A 161 -16.238 3.067 4.333 1.00 13.97 C ATOM 1557 CG TYR A 161 -17.306 4.142 4.350 1.00 12.57 C ATOM 1558 CD1 TYR A 161 -18.410 4.054 3.515 1.00 12.32 C ATOM 1559 CD2 TYR A 161 -17.160 5.281 5.126 1.00 10.09 C ATOM 1560 CE1 TYR A 161 -19.348 5.070 3.481 1.00 11.90 C ATOM 1561 CE2 TYR A 161 -18.108 6.297 5.130 1.00 8.90 C ATOM 1562 CZ TYR A 161 -19.202 6.167 4.311 1.00 10.62 C ATOM 1563 OH TYR A 161 -20.163 7.132 4.284 1.00 11.74 O ATOM 1564 HH TYR A 161 -20.555 7.231 5.188 1.00 0.00 H ATOM 1565 H TYR A 161 -16.185 2.173 1.754 1.00 0.00 H ATOM 1566 N LYS A 162 -13.686 1.504 2.726 1.00 25.60 N ATOM 1567 CA LYS A 162 -12.441 0.754 2.787 1.00 36.23 C ATOM 1568 C LYS A 162 -11.442 1.440 1.858 1.00 36.63 C ATOM 1569 O LYS A 162 -11.719 1.613 0.670 1.00 49.88 O ATOM 1570 CB LYS A 162 -12.687 -0.698 2.365 1.00 38.84 C ATOM 1571 CG LYS A 162 -13.703 -1.435 3.245 1.00 29.04 C ATOM 1572 H LYS A 162 -14.398 1.255 2.010 1.00 0.00 H ATOM 1573 N ASN A 163 -10.305 1.875 2.393 1.00 38.38 N ATOM 1574 CA ASN A 163 -10.012 1.764 3.812 1.00 39.17 C ATOM 1575 C ASN A 163 -9.911 3.144 4.469 1.00 48.00 C ATOM 1576 O ASN A 163 -8.883 3.822 4.369 1.00 48.91 O ATOM 1577 H ASN A 163 -9.596 2.313 1.770 1.00 0.00 H ATOM 1578 N LEU A 164 -10.987 3.540 5.142 1.00 46.03 N ATOM 1579 CA LEU A 164 -11.110 4.866 5.741 1.00 45.19 C ATOM 1580 C LEU A 164 -10.900 5.984 4.722 1.00 48.65 C ATOM 1581 O LEU A 164 -10.618 5.731 3.547 1.00 53.73 O ATOM 1582 CB LEU A 164 -10.164 5.024 6.938 1.00 41.16 C ATOM 1583 CG LEU A 164 -10.639 4.457 8.280 1.00 42.60 C ATOM 1584 CD1 LEU A 164 -11.096 3.012 8.149 1.00 45.62 C ATOM 1585 CD2 LEU A 164 -9.551 4.583 9.342 1.00 62.20 C ATOM 1586 H LEU A 164 -11.779 2.874 5.247 1.00 0.00 H TER 1587 LEU A 164 HETATM 1588 O HOH 1 -16.045 15.457 -4.381 1.00 18.90 O HETATM 1589 O HOH 2 -32.878 1.450 19.890 1.00 32.35 O HETATM 1590 O HOH 3 -16.857 4.950 25.532 1.00 34.15 O HETATM 1591 O HOH 4 -19.781 25.457 31.287 1.00 30.13 O HETATM 1592 O HOH 5 -23.778 0.063 -10.263 1.00 29.43 O HETATM 1593 O HOH 6 -16.291 -3.736 11.393 1.00 27.43 O HETATM 1594 O HOH 7 -28.756 20.869 21.775 1.00 27.69 O HETATM 1595 O HOH 8 -26.949 11.072 28.742 1.00 19.21 O HETATM 1596 O HOH 9 -19.008 6.333 26.517 1.00 22.70 O HETATM 1597 O HOH 10 -12.786 24.124 18.012 1.00 32.83 O HETATM 1598 O HOH 11 -21.868 14.428 33.543 1.00 31.18 O HETATM 1599 O HOH 12 -27.766 18.229 22.706 1.00 30.83 O HETATM 1600 O HOH 13 -18.794 22.702 0.959 1.00 17.77 O HETATM 1601 O HOH 14 -28.014 7.682 27.867 1.00 22.75 O HETATM 1602 O HOH 15 -41.033 -2.354 2.989 1.00 24.02 O HETATM 1603 O HOH 16 -25.021 27.447 6.642 1.00 36.58 O HETATM 1604 O HOH 17 -25.718 -2.573 -7.617 1.00 19.79 O HETATM 1605 O HOH 18 -25.647 -5.610 0.922 1.00 16.19 O HETATM 1606 O HOH 19 -23.470 29.634 28.448 1.00 32.24 O HETATM 1607 O HOH 20 -22.262 -6.381 1.275 1.00 19.87 O HETATM 1608 O HOH 21 -33.150 17.719 -7.635 1.00 24.55 O HETATM 1609 O HOH 22 -38.115 -3.772 -1.963 1.00 19.26 O HETATM 1610 O HOH 23 -23.448 26.586 4.599 1.00 34.29 O HETATM 1611 O HOH 24 -20.513 5.416 20.542 1.00 20.23 O HETATM 1612 O HOH 25 -33.404 -3.425 -10.006 1.00 21.18 O HETATM 1613 O HOH 26 -25.795 15.321 35.832 1.00 33.99 O HETATM 1614 O HOH 27 -13.807 -3.542 13.251 1.00 39.59 O HETATM 1615 O HOH 28 -19.719 20.478 -5.116 1.00 17.40 O HETATM 1616 O HOH 29 -14.594 23.668 12.468 1.00 28.63 O HETATM 1617 O HOH 30 -23.892 10.885 31.120 1.00 31.28 O HETATM 1618 O HOH 31 -22.556 -4.640 -5.711 1.00 27.05 O HETATM 1619 O HOH 32 -16.690 -1.294 15.637 1.00 18.62 O HETATM 1620 O HOH 33 -21.021 30.221 11.753 1.00 28.62 O HETATM 1621 O HOH 34 -26.571 18.471 -8.511 1.00 28.28 O HETATM 1622 O HOH 35 -14.316 -3.058 9.604 1.00 28.78 O HETATM 1623 O HOH 36 -20.863 26.925 5.757 1.00 17.99 O HETATM 1624 O HOH 37 -23.946 -6.147 -2.808 1.00 33.82 O HETATM 1625 O HOH 38 -27.590 12.925 22.296 1.00 19.96 O HETATM 1626 O HOH 39 -18.820 33.039 15.401 1.00 41.88 O HETATM 1627 O HOH 40 -21.324 -5.394 6.587 1.00 30.56 O HETATM 1628 O HOH 41 -27.702 13.924 26.392 1.00 14.44 O HETATM 1629 O HOH 42 -25.269 27.290 1.304 1.00 29.77 O HETATM 1630 O HOH 43 -13.001 5.691 24.679 1.00 41.92 O HETATM 1631 O HOH 44 -16.848 25.222 9.768 1.00 19.63 O HETATM 1632 O HOH 45 -29.930 25.386 27.693 1.00 27.57 O HETATM 1633 O HOH 46 -29.283 17.271 31.980 1.00 12.80 O HETATM 1634 O HOH 47 -24.203 -1.360 11.542 1.00 14.94 O HETATM 1635 O HOH 48 -30.992 25.388 17.215 1.00 33.78 O HETATM 1636 O HOH 49 -24.758 12.520 28.696 1.00 26.10 O HETATM 1637 O HOH 50 -26.100 27.448 31.037 1.00 28.01 O HETATM 1638 O HOH 51 -23.460 19.445 -9.661 1.00 40.80 O HETATM 1639 O HOH 52 -18.479 -4.573 12.980 1.00 22.56 O HETATM 1640 O HOH 53 -20.785 21.935 3.472 1.00 19.24 O HETATM 1641 O HOH 54 -17.966 15.940 2.105 1.00 15.62 O HETATM 1642 O HOH 55 -11.300 13.487 13.610 1.00 24.29 O HETATM 1643 O HOH 56 -13.188 0.633 14.926 1.00 31.90 O HETATM 1644 O HOH 57 -37.158 -5.675 -0.210 1.00 16.11 O HETATM 1645 O HOH 58 -18.406 -4.803 1.668 1.00 19.85 O HETATM 1646 O HOH 59 -26.884 -1.658 -9.848 1.00 20.51 O HETATM 1647 O HOH 60 -14.629 25.875 14.513 1.00 33.86 O HETATM 1648 O HOH 61 -33.035 11.226 -11.460 1.00 23.62 O HETATM 1649 O HOH 62 -26.048 20.781 33.599 1.00 37.67 O HETATM 1650 O HOH 63 -30.149 12.206 20.941 1.00 36.92 O HETATM 1651 O HOH 64 -28.889 20.080 2.666 1.00 38.59 O HETATM 1652 O HOH 65 -16.430 3.762 15.568 1.00 21.22 O HETATM 1653 O HOH 66 -14.136 4.575 12.072 1.00 24.00 O HETATM 1654 O HOH 67 -12.801 11.062 10.197 1.00 35.07 O HETATM 1655 O HOH 68 -17.349 13.740 5.824 1.00 23.75 O HETATM 1656 O HOH 69 -20.317 15.969 6.398 1.00 27.49 O HETATM 1657 O HOH 70 -15.698 15.823 14.742 1.00 20.43 O HETATM 1658 O HOH 71 -10.557 18.923 19.509 1.00 38.91 O HETATM 1659 O HOH 72 -14.070 25.531 21.107 1.00 31.76 O HETATM 1660 O HOH 73 -24.522 27.382 15.751 1.00 18.79 O HETATM 1661 O HOH 74 -23.613 19.498 13.357 1.00 20.35 O HETATM 1662 O HOH 75 -23.521 20.588 4.555 1.00 30.68 O HETATM 1663 O HOH 76 -24.325 28.965 10.129 1.00 42.01 O HETATM 1664 O HOH 77 -20.539 12.867 19.912 1.00 11.22 O HETATM 1665 O HOH 78 -22.699 12.265 18.178 1.00 11.87 O HETATM 1666 O HOH 79 -21.873 34.008 22.870 1.00 35.36 O HETATM 1667 O HOH 80 -19.988 24.112 28.085 1.00 18.98 O HETATM 1668 O HOH 81 -19.866 12.675 32.133 1.00 29.62 O HETATM 1669 O HOH 82 -17.326 19.623 35.197 1.00 25.92 O HETATM 1670 O HOH 83 -14.654 19.985 30.865 1.00 21.47 O HETATM 1671 O HOH 84 -13.390 17.667 30.086 1.00 31.15 O HETATM 1672 O HOH 85 -15.554 11.033 30.993 1.00 29.60 O HETATM 1673 O HOH 86 -10.702 11.976 26.603 1.00 25.66 O HETATM 1674 O HOH 87 -12.731 9.348 28.129 1.00 24.90 O HETATM 1675 O HOH 88 -11.010 16.276 26.666 1.00 33.04 O HETATM 1676 O HOH 89 -29.366 11.748 15.408 1.00 17.53 O HETATM 1677 O HOH 90 -35.616 9.961 17.258 1.00 29.43 O HETATM 1678 O HOH 91 -39.034 4.132 16.822 1.00 33.39 O HETATM 1679 O HOH 92 -44.732 9.829 9.641 1.00 30.95 O HETATM 1680 O HOH 93 -41.834 5.967 1.363 1.00 26.98 O HETATM 1681 O HOH 94 -35.028 -1.753 -1.228 1.00 14.93 O HETATM 1682 O HOH 95 -19.395 1.922 0.203 1.00 14.52 O HETATM 1683 O HOH 96 -14.090 6.665 -0.828 1.00 20.83 O HETATM 1684 O HOH 97 -25.233 11.359 4.781 1.00 12.04 O HETATM 1685 O HOH 98 -24.600 18.809 2.780 1.00 19.22 O HETATM 1686 O HOH 99 -31.100 12.161 13.078 1.00 18.12 O HETATM 1687 O HOH 100 -25.464 5.539 -10.859 1.00 24.50 O HETATM 1688 O HOH 101 -24.595 9.523 -8.381 1.00 18.71 O HETATM 1689 O HOH 102 -26.800 12.795 -10.866 1.00 20.74 O HETATM 1690 O HOH 103 -32.363 8.678 -11.691 1.00 20.15 O HETATM 1691 O HOH 104 -15.908 10.278 -1.837 1.00 16.87 O HETATM 1692 O HOH 105 -20.870 7.915 -5.664 1.00 19.56 O HETATM 1693 O HOH 106 -22.313 5.856 -7.075 1.00 28.12 O HETATM 1694 O HOH 107 -13.989 9.278 0.007 1.00 16.03 O HETATM 1695 O HOH 108 -23.869 15.904 10.460 1.00 21.02 O HETATM 1696 O HOH 109 -22.256 12.077 27.693 1.00 24.70 O HETATM 1697 O HOH 110 -12.592 21.156 18.235 1.00 31.64 O HETATM 1698 O HOH 111 -14.425 24.765 23.555 1.00 33.18 O HETATM 1699 O HOH 112 -21.416 31.801 15.243 1.00 37.39 O HETATM 1700 O HOH 113 -25.651 21.012 9.950 1.00 42.09 O HETATM 1701 O HOH 114 -20.951 34.035 19.995 1.00 37.34 O HETATM 1702 O HOH 115 -18.084 31.667 25.765 1.00 28.83 O HETATM 1703 O HOH 116 -20.527 20.628 36.966 1.00 34.99 O HETATM 1704 O HOH 117 -16.054 13.653 32.712 1.00 31.72 O HETATM 1705 O HOH 118 -42.614 10.966 12.188 1.00 39.96 O HETATM 1706 O HOH 119 -41.303 13.516 7.564 1.00 38.54 O HETATM 1707 O HOH 120 -45.650 3.161 6.790 1.00 32.23 O HETATM 1708 O HOH 121 -39.403 10.614 15.571 1.00 40.10 O HETATM 1709 O HOH 122 -35.729 16.254 11.534 1.00 35.33 O HETATM 1710 O HOH 123 -34.466 17.189 9.134 1.00 30.16 O HETATM 1711 O HOH 124 -33.767 12.750 13.158 1.00 23.99 O HETATM 1712 O HOH 125 -41.301 7.718 -2.247 1.00 24.95 O HETATM 1713 O HOH 126 -43.132 8.270 -4.628 1.00 45.52 O HETATM 1714 O HOH 127 -17.247 6.301 -4.455 1.00 33.92 O HETATM 1715 O HOH 128 -24.003 16.927 12.887 1.00 27.71 O HETATM 1716 O HOH 129 -18.603 16.489 12.338 1.00 21.37 O HETATM 1717 O HOH 130 -21.202 17.634 11.848 1.00 36.07 O HETATM 1718 O HOH 131 -22.946 29.357 14.409 1.00 25.42 O HETATM 1719 O HOH 132 -12.426 7.272 17.734 1.00 24.40 O HETATM 1720 O HOH 133 -27.888 17.037 18.437 1.00 33.54 O HETATM 1721 O HOH 134 -41.706 11.514 0.747 1.00 24.10 O HETATM 1722 O HOH 135 -20.748 11.433 -8.307 1.00 36.83 O HETATM 1723 C MBN A 136 -32.355 7.263 2.207 1.00 -0.03 C HETATM 1724 C1 MBN A 136 -33.181 6.606 3.301 1.00 -0.05 C HETATM 1725 C2 MBN A 136 -33.238 7.160 4.565 1.00 -0.06 C HETATM 1726 C3 MBN A 136 -33.992 6.571 5.570 1.00 -0.07 C HETATM 1727 C4 MBN A 136 -34.711 5.417 5.332 1.00 -0.07 C HETATM 1728 C5 MBN A 136 -34.638 4.878 4.060 1.00 -0.07 C HETATM 1729 C6 MBN A 136 -33.894 5.447 3.048 1.00 -0.06 C HETATM 1730 H8 MBN A 136 -33.868 4.991 2.065 1.00 0.06 H HETATM 1731 H7 MBN A 136 -35.190 3.969 3.850 1.00 0.06 H HETATM 1732 H6 MBN A 136 -35.308 4.953 6.109 1.00 0.06 H HETATM 1733 H5 MBN A 136 -34.017 7.023 6.555 1.00 0.06 H HETATM 1734 H4 MBN A 136 -32.685 8.069 4.775 1.00 0.06 H HETATM 1735 H1 MBN A 136 -31.869 8.165 2.606 1.00 0.04 H HETATM 1736 H2 MBN A 136 -33.011 7.540 1.369 1.00 0.04 H HETATM 1737 H3 MBN A 136 -31.587 6.559 1.854 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1723 1724 1735 1736 1737 CONECT 1724 1723 1725 1729 CONECT 1725 1724 1726 1734 CONECT 1726 1725 1727 1733 CONECT 1727 1726 1728 1732 CONECT 1728 1727 1729 1731 CONECT 1729 1724 1728 1730 CONECT 1730 1729 CONECT 1731 1728 CONECT 1732 1727 CONECT 1733 1726 CONECT 1734 1725 CONECT 1735 1723 CONECT 1736 1723 CONECT 1737 1723 MASTER 0 0 0 0 0 0 0 0 1736 1 19 13 END
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Structure:
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Related entries of code: 4w53
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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185l
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164aa, >185L_1|Chain... at 96%
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164aa, >186L_1|Chain... at 96%
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164aa, >187L_1|Chain... at 96%
188l
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164aa, >188L_1|Chain... at 96%
1l83
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164aa, >1L83_1|Chain... at 96%
1lgw
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PDBbind
164aa, >1LGW_1|Chain... at 95%
1li2
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PDBbind
164aa, >1LI2_1|Chain... at 95%
1li3
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164aa, >1LI3_1|Chain... at 95%
1li6
RCSB PDB
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164aa, >1LI6_1|Chain... at 95%
220l
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164aa, >220L_1|Chain... at 96%
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164aa, >223L_1|Chain... at 95%
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PDBbind
168aa, >3RUN_1|Chain... at 95%
4w52
RCSB PDB
PDBbind
172aa, >4W52_1|Chain... at 94%
4w54
RCSB PDB
PDBbind
172aa, >4W54_1|Chain... at 94%
4w55
RCSB PDB
PDBbind
172aa, >4W55_1|Chain... at 94%
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RCSB PDB
PDBbind
172aa, >4W57_1|Chain... at 94%
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RCSB PDB
PDBbind
943aa, >6AJJ_1|Chain... at 100%
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RCSB PDB
PDBbind
943aa, >6AJI_1|Chain... at 100%
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4i7k
RCSB PDB
PDBbind
MBN
5hwv
RCSB PDB
PDBbind
MBN
Entry Information
PDB ID
4w53
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T4 Lysozyme L99A
Ligand Name
MBN
EC.Number
E.C.3.2.1.17
Resolution
1.56(Å)
Affinity (Kd/Ki/IC50)
Kd=102uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5039-5044
Ligand Properties
Formula
C
7
H
8
Molecular Weight
92.138
Exact Mass
92.063
No. of atoms
15
No. of bonds
15
Polar Surface Area
0
LOGP Value
2.29 (
Computed with XLOGP3
)
2.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
Cc1ccccc1
InChI String
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00720
Entrez Gene ID
NCBI Entrez Gene ID:
1258585
ASD
Information of known allosteric effects of PDB entries
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