Browse entries in the PDBbind-CN Database
HEADER 2K2R_COMPLEX COMPND 2K2R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ARG HIS GLU ARG ASP ALA PHE ASP THR LEU PHE ASP HIS SEQRES 2 A 129 ALA PRO ASP LYS LEU ASN VAL VAL LYS LYS THR LEU ILE SEQRES 3 A 129 THR PHE VAL ASN LYS HIS LEU ASN LYS LEU ASN LEU GLU SEQRES 4 A 129 VAL THR GLU LEU GLU THR GLN PHE ALA ASP GLY VAL TYR SEQRES 5 A 129 LEU VAL LEU LEU MET GLY LEU LEU GLU GLY TYR PHE VAL SEQRES 6 A 129 PRO LEU HIS SER PHE PHE LEU THR PRO ASP SER PHE GLU SEQRES 7 A 129 GLN LYS VAL LEU ASN VAL SER PHE ALA PHE GLU LEU MET SEQRES 8 A 129 GLN ASP GLY GLY LEU GLU LYS PRO LYS PRO ARG PRO GLU SEQRES 9 A 129 ASP ILE VAL ASN CYS ASP LEU LYS SER THR LEU ARG VAL SEQRES 10 A 129 LEU TYR ASN LEU PHE THR LYS TYR ARG ASN VAL GLU HET ASP A 130 150 ATOM 1 N ARG A 1 18.975 -21.940 -2.954 1.00 1.51 N ATOM 2 CA ARG A 1 19.358 -20.677 -3.647 1.00 1.47 C ATOM 3 C ARG A 1 18.565 -19.511 -3.052 1.00 1.42 C ATOM 4 O ARG A 1 17.476 -19.200 -3.492 1.00 1.41 O ATOM 5 CB ARG A 1 19.041 -20.799 -5.139 1.00 1.52 C ATOM 6 CG ARG A 1 19.635 -19.603 -5.900 1.00 1.58 C ATOM 7 CD ARG A 1 21.176 -19.658 -5.888 1.00 1.56 C ATOM 8 NE ARG A 1 21.692 -18.884 -4.725 1.00 1.55 N ATOM 9 CZ ARG A 1 22.930 -19.035 -4.339 1.00 1.55 C ATOM 10 NH1 ARG A 1 23.714 -19.862 -4.974 1.00 1.57 N ATOM 11 NH2 ARG A 1 23.383 -18.359 -3.319 1.00 1.54 N ATOM 12 HA ARG A 1 20.425 -20.498 -3.515 1.00 0.00 H ATOM 13 HB2 ARG A 1 19.471 -21.723 -5.526 1.00 0.00 H ATOM 14 HB3 ARG A 1 17.960 -20.816 -5.279 1.00 0.00 H ATOM 15 HG2 ARG A 1 19.284 -19.625 -6.932 1.00 0.00 H ATOM 16 HG3 ARG A 1 19.306 -18.678 -5.426 1.00 0.00 H ATOM 17 HD2 ARG A 1 21.562 -19.227 -6.812 1.00 0.00 H ATOM 18 HD3 ARG A 1 21.502 -20.695 -5.808 1.00 0.00 H ATOM 19 HE ARG A 1 21.067 -18.224 -4.221 1.00 0.00 H ATOM 20 HH12 ARG A 1 24.700 -19.983 -4.667 1.00 0.00 H ATOM 21 HH11 ARG A 1 23.353 -20.400 -5.787 1.00 0.00 H ATOM 22 HH22 ARG A 1 24.369 -18.480 -3.012 1.00 0.00 H ATOM 23 HH21 ARG A 1 22.758 -17.700 -2.813 1.00 0.00 H ATOM 24 HN3 ARG A 1 17.957 -22.110 -3.083 1.00 0.00 H ATOM 25 HN2 ARG A 1 19.188 -21.856 -1.940 1.00 0.00 H ATOM 26 HN1 ARG A 1 19.514 -22.733 -3.358 1.00 0.00 H ATOM 27 N HIS A 2 19.100 -18.863 -2.053 1.00 1.39 N ATOM 28 CA HIS A 2 18.373 -17.720 -1.434 1.00 1.35 C ATOM 29 C HIS A 2 18.299 -16.561 -2.430 1.00 1.38 C ATOM 30 O HIS A 2 19.206 -15.759 -2.533 1.00 1.44 O ATOM 31 CB HIS A 2 19.114 -17.264 -0.175 1.00 1.31 C ATOM 32 CG HIS A 2 18.376 -16.114 0.451 1.00 1.26 C ATOM 33 ND1 HIS A 2 19.016 -14.949 0.842 1.00 1.27 N ATOM 34 CD2 HIS A 2 17.050 -15.935 0.758 1.00 1.20 C ATOM 35 CE1 HIS A 2 18.082 -14.127 1.357 1.00 1.22 C ATOM 36 NE2 HIS A 2 16.867 -14.679 1.330 1.00 1.17 N ATOM 37 HA HIS A 2 17.364 -18.035 -1.168 1.00 0.00 H ATOM 38 HB2 HIS A 2 19.169 -18.090 0.534 1.00 0.00 H ATOM 39 HB3 HIS A 2 20.123 -16.947 -0.441 1.00 0.00 H ATOM 40 HD2 HIS A 2 16.260 -16.665 0.581 1.00 0.00 H ATOM 41 HE1 HIS A 2 18.293 -13.132 1.748 1.00 0.00 H ATOM 42 H HIS A 2 20.033 -19.145 -1.690 1.00 0.00 H ATOM 43 N GLU A 3 17.226 -16.467 -3.167 1.00 1.36 N ATOM 44 CA GLU A 3 17.096 -15.360 -4.156 1.00 1.40 C ATOM 45 C GLU A 3 17.254 -14.015 -3.443 1.00 1.39 C ATOM 46 O GLU A 3 16.466 -13.657 -2.590 1.00 1.34 O ATOM 47 CB GLU A 3 15.717 -15.426 -4.820 1.00 1.39 C ATOM 48 CG GLU A 3 15.689 -16.570 -5.836 1.00 1.41 C ATOM 49 CD GLU A 3 15.843 -17.906 -5.107 1.00 1.40 C ATOM 50 OE1 GLU A 3 15.260 -18.050 -4.045 1.00 1.60 O ATOM 51 OE2 GLU A 3 16.541 -18.763 -5.623 1.00 1.53 O ATOM 52 HA GLU A 3 17.871 -15.461 -4.916 1.00 0.00 H ATOM 53 HB2 GLU A 3 14.956 -15.598 -4.059 1.00 0.00 H ATOM 54 HB3 GLU A 3 15.514 -14.484 -5.329 1.00 0.00 H ATOM 55 HG2 GLU A 3 14.740 -16.556 -6.373 1.00 0.00 H ATOM 56 HG3 GLU A 3 16.508 -16.446 -6.545 1.00 0.00 H ATOM 57 H GLU A 3 16.462 -17.165 -3.064 1.00 0.00 H ATOM 58 N ARG A 4 18.266 -13.264 -3.788 1.00 1.44 N ATOM 59 CA ARG A 4 18.475 -11.941 -3.136 1.00 1.44 C ATOM 60 C ARG A 4 17.607 -10.895 -3.845 1.00 1.43 C ATOM 61 O ARG A 4 17.596 -10.804 -5.056 1.00 1.45 O ATOM 62 CB ARG A 4 19.964 -11.563 -3.236 1.00 1.51 C ATOM 63 CG ARG A 4 20.178 -10.061 -2.914 1.00 1.53 C ATOM 64 CD ARG A 4 20.288 -9.242 -4.210 1.00 1.56 C ATOM 65 NE ARG A 4 21.691 -9.294 -4.708 1.00 1.64 N ATOM 66 CZ ARG A 4 21.964 -8.923 -5.929 1.00 1.68 C ATOM 67 NH1 ARG A 4 21.009 -8.500 -6.711 1.00 1.65 N ATOM 68 NH2 ARG A 4 23.192 -8.973 -6.367 1.00 1.74 N ATOM 69 HA ARG A 4 18.191 -11.984 -2.085 1.00 0.00 H ATOM 70 HB2 ARG A 4 20.533 -12.165 -2.527 1.00 0.00 H ATOM 71 HB3 ARG A 4 20.316 -11.765 -4.248 1.00 0.00 H ATOM 72 HG2 ARG A 4 19.334 -9.696 -2.329 1.00 0.00 H ATOM 73 HG3 ARG A 4 21.096 -9.945 -2.337 1.00 0.00 H ATOM 74 HD2 ARG A 4 20.010 -8.207 -4.012 1.00 0.00 H ATOM 75 HD3 ARG A 4 19.619 -9.659 -4.962 1.00 0.00 H ATOM 76 HE ARG A 4 22.453 -9.626 -4.083 1.00 0.00 H ATOM 77 HH12 ARG A 4 21.226 -8.204 -7.684 1.00 0.00 H ATOM 78 HH11 ARG A 4 20.030 -8.459 -6.361 1.00 0.00 H ATOM 79 HH22 ARG A 4 23.409 -8.677 -7.340 1.00 0.00 H ATOM 80 HH21 ARG A 4 23.953 -9.309 -5.743 1.00 0.00 H ATOM 81 H ARG A 4 18.928 -13.591 -4.520 1.00 0.00 H ATOM 82 N ASP A 5 16.862 -10.118 -3.095 1.00 1.40 N ATOM 83 CA ASP A 5 15.974 -9.084 -3.707 1.00 1.39 C ATOM 84 C ASP A 5 16.122 -7.763 -2.949 1.00 1.41 C ATOM 85 O ASP A 5 17.212 -7.324 -2.642 1.00 1.46 O ATOM 86 CB ASP A 5 14.519 -9.561 -3.619 1.00 1.32 C ATOM 87 CG ASP A 5 13.665 -8.834 -4.662 1.00 1.32 C ATOM 88 OD1 ASP A 5 13.868 -9.079 -5.840 1.00 1.33 O ATOM 89 OD2 ASP A 5 12.824 -8.045 -4.265 1.00 1.32 O ATOM 90 HA ASP A 5 16.253 -8.933 -4.750 1.00 0.00 H ATOM 91 HB2 ASP A 5 14.479 -10.634 -3.804 1.00 0.00 H ATOM 92 HB3 ASP A 5 14.129 -9.351 -2.623 1.00 0.00 H ATOM 93 H ASP A 5 16.890 -10.223 -2.061 1.00 0.00 H ATOM 94 N ALA A 6 15.022 -7.127 -2.656 1.00 1.37 N ATOM 95 CA ALA A 6 15.075 -5.827 -1.926 1.00 1.39 C ATOM 96 C ALA A 6 15.210 -6.074 -0.420 1.00 1.40 C ATOM 97 O ALA A 6 16.120 -5.581 0.215 1.00 1.45 O ATOM 98 CB ALA A 6 13.791 -5.040 -2.197 1.00 1.34 C ATOM 99 HA ALA A 6 15.938 -5.258 -2.273 1.00 0.00 H ATOM 100 HB1 ALA A 6 13.699 -4.854 -3.267 1.00 0.00 H ATOM 101 HB2 ALA A 6 12.933 -5.617 -1.852 1.00 0.00 H ATOM 102 HB3 ALA A 6 13.829 -4.090 -1.664 1.00 0.00 H ATOM 103 H ALA A 6 14.103 -7.528 -2.933 1.00 0.00 H ATOM 104 N PHE A 7 14.309 -6.825 0.161 1.00 1.35 N ATOM 105 CA PHE A 7 14.398 -7.084 1.634 1.00 1.36 C ATOM 106 C PHE A 7 15.828 -7.461 2.013 1.00 1.43 C ATOM 107 O PHE A 7 16.289 -7.169 3.096 1.00 1.46 O ATOM 108 CB PHE A 7 13.425 -8.215 2.057 1.00 1.31 C ATOM 109 CG PHE A 7 12.697 -8.781 0.867 1.00 1.26 C ATOM 110 CD1 PHE A 7 11.492 -8.207 0.467 1.00 1.21 C ATOM 111 CD2 PHE A 7 13.206 -9.896 0.191 1.00 1.27 C ATOM 112 CE1 PHE A 7 10.786 -8.744 -0.611 1.00 1.16 C ATOM 113 CE2 PHE A 7 12.504 -10.432 -0.893 1.00 1.23 C ATOM 114 CZ PHE A 7 11.293 -9.857 -1.294 1.00 1.18 C ATOM 115 HA PHE A 7 14.114 -6.172 2.159 1.00 0.00 H ATOM 116 HB2 PHE A 7 13.993 -9.011 2.538 1.00 0.00 H ATOM 117 HB3 PHE A 7 12.697 -7.813 2.761 1.00 0.00 H ATOM 118 HD2 PHE A 7 14.147 -10.345 0.509 1.00 0.00 H ATOM 119 HE2 PHE A 7 12.900 -11.297 -1.425 1.00 0.00 H ATOM 120 HZ PHE A 7 10.744 -10.275 -2.138 1.00 0.00 H ATOM 121 HE1 PHE A 7 9.841 -8.298 -0.921 1.00 0.00 H ATOM 122 HD1 PHE A 7 11.100 -7.338 0.996 1.00 0.00 H ATOM 123 H PHE A 7 13.535 -7.240 -0.397 1.00 0.00 H ATOM 124 N ASP A 8 16.522 -8.114 1.137 1.00 1.47 N ATOM 125 CA ASP A 8 17.918 -8.534 1.449 1.00 1.54 C ATOM 126 C ASP A 8 18.681 -7.380 2.110 1.00 1.58 C ATOM 127 O ASP A 8 18.986 -7.414 3.282 1.00 1.60 O ATOM 128 CB ASP A 8 18.614 -8.951 0.128 1.00 1.58 C ATOM 129 CG ASP A 8 19.220 -10.356 0.255 1.00 1.64 C ATOM 130 OD1 ASP A 8 18.466 -11.313 0.193 1.00 1.64 O ATOM 131 OD2 ASP A 8 20.426 -10.448 0.412 1.00 1.69 O ATOM 132 HA ASP A 8 17.907 -9.375 2.142 1.00 0.00 H ATOM 133 HB2 ASP A 8 17.882 -8.948 -0.679 1.00 0.00 H ATOM 134 HB3 ASP A 8 19.407 -8.238 -0.100 1.00 0.00 H ATOM 135 H ASP A 8 16.105 -8.346 0.213 1.00 0.00 H ATOM 136 N THR A 9 18.986 -6.368 1.364 1.00 1.61 N ATOM 137 CA THR A 9 19.744 -5.216 1.933 1.00 1.66 C ATOM 138 C THR A 9 18.901 -4.468 2.964 1.00 1.62 C ATOM 139 O THR A 9 19.382 -4.067 4.004 1.00 1.65 O ATOM 140 CB THR A 9 20.133 -4.267 0.790 1.00 1.71 C ATOM 141 OG1 THR A 9 20.640 -5.028 -0.297 1.00 1.71 O ATOM 142 CG2 THR A 9 21.203 -3.276 1.254 1.00 1.78 C ATOM 143 HA THR A 9 20.638 -5.588 2.433 1.00 0.00 H ATOM 144 HB THR A 9 19.249 -3.710 0.479 1.00 0.00 H ATOM 145 HG1 THR A 9 20.892 -4.419 -1.036 1.00 0.00 H ATOM 146 HG23 THR A 9 20.817 -2.690 2.088 1.00 0.00 H ATOM 147 HG21 THR A 9 22.090 -3.824 1.573 1.00 0.00 H ATOM 148 HG22 THR A 9 21.462 -2.611 0.430 1.00 0.00 H ATOM 149 H THR A 9 18.702 -6.358 0.364 1.00 0.00 H ATOM 150 N LEU A 10 17.657 -4.274 2.680 1.00 1.55 N ATOM 151 CA LEU A 10 16.771 -3.535 3.627 1.00 1.52 C ATOM 152 C LEU A 10 16.855 -4.162 5.028 1.00 1.51 C ATOM 153 O LEU A 10 17.057 -3.482 6.013 1.00 1.54 O ATOM 154 CB LEU A 10 15.324 -3.597 3.094 1.00 1.44 C ATOM 155 CG LEU A 10 14.542 -2.316 3.440 1.00 1.43 C ATOM 156 CD1 LEU A 10 15.150 -1.088 2.725 1.00 1.48 C ATOM 157 CD2 LEU A 10 13.086 -2.503 2.993 1.00 1.36 C ATOM 158 HA LEU A 10 17.090 -2.495 3.702 1.00 0.00 H ATOM 159 HB2 LEU A 10 15.350 -3.716 2.011 1.00 0.00 H ATOM 160 HB3 LEU A 10 14.818 -4.453 3.540 1.00 0.00 H ATOM 161 HG LEU A 10 14.594 -2.141 4.515 1.00 0.00 H ATOM 162 HD21 LEU A 10 13.057 -2.680 1.918 1.00 0.00 H ATOM 163 HD22 LEU A 10 12.654 -3.357 3.515 1.00 0.00 H ATOM 164 HD23 LEU A 10 12.516 -1.605 3.230 1.00 0.00 H ATOM 165 HD11 LEU A 10 16.186 -0.962 3.039 1.00 0.00 H ATOM 166 HD12 LEU A 10 15.112 -1.242 1.647 1.00 0.00 H ATOM 167 HD13 LEU A 10 14.579 -0.197 2.987 1.00 0.00 H ATOM 168 H LEU A 10 17.269 -4.635 1.785 1.00 0.00 H ATOM 169 N PHE A 11 16.692 -5.448 5.116 1.00 1.48 N ATOM 170 CA PHE A 11 16.744 -6.133 6.444 1.00 1.48 C ATOM 171 C PHE A 11 18.193 -6.407 6.837 1.00 1.55 C ATOM 172 O PHE A 11 18.568 -6.331 7.990 1.00 1.57 O ATOM 173 CB PHE A 11 16.022 -7.480 6.312 1.00 1.42 C ATOM 174 CG PHE A 11 14.543 -7.323 6.552 1.00 1.36 C ATOM 175 CD1 PHE A 11 14.054 -6.988 7.820 1.00 1.34 C ATOM 176 CD2 PHE A 11 13.672 -7.535 5.501 1.00 1.31 C ATOM 177 CE1 PHE A 11 12.674 -6.864 8.022 1.00 1.27 C ATOM 178 CE2 PHE A 11 12.292 -7.415 5.691 1.00 1.25 C ATOM 179 CZ PHE A 11 11.790 -7.079 6.955 1.00 1.23 C ATOM 180 HA PHE A 11 16.276 -5.501 7.199 1.00 0.00 H ATOM 181 HB2 PHE A 11 16.181 -7.874 5.308 1.00 0.00 H ATOM 182 HB3 PHE A 11 16.430 -8.177 7.043 1.00 0.00 H ATOM 183 HD2 PHE A 11 14.063 -7.797 4.518 1.00 0.00 H ATOM 184 HE2 PHE A 11 11.609 -7.582 4.858 1.00 0.00 H ATOM 185 HZ PHE A 11 10.715 -6.985 7.109 1.00 0.00 H ATOM 186 HE1 PHE A 11 12.288 -6.601 9.007 1.00 0.00 H ATOM 187 HD1 PHE A 11 14.745 -6.824 8.647 1.00 0.00 H ATOM 188 H PHE A 11 16.524 -6.006 4.255 1.00 0.00 H ATOM 189 N ASP A 12 18.989 -6.779 5.885 1.00 1.58 N ATOM 190 CA ASP A 12 20.413 -7.128 6.191 1.00 1.65 C ATOM 191 C ASP A 12 21.299 -5.885 6.246 1.00 1.70 C ATOM 192 O ASP A 12 22.474 -5.980 6.543 1.00 1.75 O ATOM 193 CB ASP A 12 20.954 -8.079 5.123 1.00 1.68 C ATOM 194 CG ASP A 12 19.952 -9.213 4.895 1.00 1.63 C ATOM 195 OD1 ASP A 12 19.124 -9.429 5.764 1.00 1.58 O ATOM 196 OD2 ASP A 12 20.030 -9.845 3.854 1.00 1.65 O ATOM 197 HA ASP A 12 20.432 -7.608 7.170 1.00 0.00 H ATOM 198 HB2 ASP A 12 21.103 -7.533 4.192 1.00 0.00 H ATOM 199 HB3 ASP A 12 21.905 -8.495 5.455 1.00 0.00 H ATOM 200 H ASP A 12 18.639 -6.835 4.907 1.00 0.00 H ATOM 201 N HIS A 13 20.776 -4.722 5.964 1.00 1.70 N ATOM 202 CA HIS A 13 21.644 -3.506 6.012 1.00 1.76 C ATOM 203 C HIS A 13 20.830 -2.270 6.396 1.00 1.73 C ATOM 204 O HIS A 13 21.352 -1.174 6.429 1.00 1.77 O ATOM 205 CB HIS A 13 22.281 -3.284 4.640 1.00 1.80 C ATOM 206 CG HIS A 13 23.427 -2.317 4.765 1.00 1.86 C ATOM 207 ND1 HIS A 13 23.356 -1.019 4.284 1.00 1.87 N ATOM 208 CD2 HIS A 13 24.677 -2.444 5.317 1.00 1.91 C ATOM 209 CE1 HIS A 13 24.531 -0.422 4.555 1.00 1.93 C ATOM 210 NE2 HIS A 13 25.373 -1.246 5.184 1.00 1.95 N ATOM 211 HA HIS A 13 22.417 -3.661 6.765 1.00 0.00 H ATOM 212 HB2 HIS A 13 22.649 -4.234 4.253 1.00 0.00 H ATOM 213 HB3 HIS A 13 21.536 -2.878 3.956 1.00 0.00 H ATOM 214 HD2 HIS A 13 25.066 -3.347 5.788 1.00 0.00 H ATOM 215 HE1 HIS A 13 24.767 0.609 4.293 1.00 0.00 H ATOM 216 H HIS A 13 19.771 -4.643 5.710 1.00 0.00 H ATOM 217 N ALA A 14 19.568 -2.414 6.695 1.00 1.66 N ATOM 218 CA ALA A 14 18.788 -1.200 7.078 1.00 1.63 C ATOM 219 C ALA A 14 17.462 -1.568 7.760 1.00 1.56 C ATOM 220 O ALA A 14 16.406 -1.264 7.242 1.00 1.51 O ATOM 221 CB ALA A 14 18.513 -0.369 5.818 1.00 1.62 C ATOM 222 HA ALA A 14 19.375 -0.623 7.793 1.00 0.00 H ATOM 223 HB1 ALA A 14 19.460 -0.072 5.366 1.00 0.00 H ATOM 224 HB2 ALA A 14 17.941 -0.966 5.108 1.00 0.00 H ATOM 225 HB3 ALA A 14 17.943 0.520 6.088 1.00 0.00 H ATOM 226 H ALA A 14 19.117 -3.351 6.667 1.00 0.00 H ATOM 227 N PRO A 15 17.542 -2.178 8.922 1.00 1.57 N ATOM 228 CA PRO A 15 16.336 -2.535 9.679 1.00 1.51 C ATOM 229 C PRO A 15 15.668 -1.239 10.162 1.00 1.50 C ATOM 230 O PRO A 15 14.512 -1.218 10.533 1.00 1.44 O ATOM 231 CB PRO A 15 16.851 -3.375 10.873 1.00 1.54 C ATOM 232 CG PRO A 15 18.401 -3.440 10.766 1.00 1.62 C ATOM 233 CD PRO A 15 18.814 -2.565 9.566 1.00 1.64 C ATOM 234 HA PRO A 15 15.601 -3.091 9.097 1.00 0.00 H ATOM 235 HD3 PRO A 15 19.357 -1.682 9.904 1.00 0.00 H ATOM 236 HD2 PRO A 15 19.438 -3.132 8.874 1.00 0.00 H ATOM 237 HG3 PRO A 15 18.721 -4.469 10.605 1.00 0.00 H ATOM 238 HG2 PRO A 15 18.855 -3.058 11.680 1.00 0.00 H ATOM 239 HB2 PRO A 15 16.562 -2.903 11.812 1.00 0.00 H ATOM 240 HB3 PRO A 15 16.432 -4.380 10.829 1.00 0.00 H ATOM 241 N ASP A 16 16.410 -0.160 10.166 1.00 1.55 N ATOM 242 CA ASP A 16 15.849 1.144 10.634 1.00 1.55 C ATOM 243 C ASP A 16 15.151 1.864 9.477 1.00 1.52 C ATOM 244 O ASP A 16 14.042 2.343 9.612 1.00 1.48 O ATOM 245 CB ASP A 16 16.983 2.023 11.164 1.00 1.63 C ATOM 246 CG ASP A 16 17.678 1.313 12.326 1.00 1.65 C ATOM 247 OD1 ASP A 16 18.495 0.447 12.062 1.00 1.64 O ATOM 248 OD2 ASP A 16 17.382 1.648 13.461 1.00 1.68 O ATOM 249 HA ASP A 16 15.124 0.955 11.426 1.00 0.00 H ATOM 250 HB2 ASP A 16 17.703 2.207 10.367 1.00 0.00 H ATOM 251 HB3 ASP A 16 16.575 2.973 11.510 1.00 0.00 H ATOM 252 H ASP A 16 17.397 -0.211 9.841 1.00 0.00 H ATOM 253 N LYS A 17 15.788 1.945 8.342 1.00 1.55 N ATOM 254 CA LYS A 17 15.153 2.634 7.185 1.00 1.54 C ATOM 255 C LYS A 17 13.909 1.855 6.786 1.00 1.46 C ATOM 256 O LYS A 17 12.917 2.413 6.367 1.00 1.42 O ATOM 257 CB LYS A 17 16.127 2.687 6.008 1.00 1.59 C ATOM 258 CG LYS A 17 17.431 3.347 6.458 1.00 1.67 C ATOM 259 CD LYS A 17 18.335 3.578 5.244 1.00 1.72 C ATOM 260 CE LYS A 17 19.741 3.964 5.713 1.00 1.80 C ATOM 261 NZ LYS A 17 20.482 4.602 4.588 1.00 1.80 N ATOM 262 HA LYS A 17 14.886 3.654 7.462 1.00 0.00 H ATOM 263 HB2 LYS A 17 16.333 1.675 5.660 1.00 0.00 H ATOM 264 HB3 LYS A 17 15.687 3.267 5.197 1.00 0.00 H ATOM 265 HG2 LYS A 17 17.209 4.303 6.933 1.00 0.00 H ATOM 266 HG3 LYS A 17 17.939 2.698 7.171 1.00 0.00 H ATOM 267 HD2 LYS A 17 18.388 2.664 4.652 1.00 0.00 H ATOM 268 HD3 LYS A 17 17.923 4.381 4.633 1.00 0.00 H ATOM 269 HE2 LYS A 17 20.274 3.071 6.039 1.00 0.00 H ATOM 270 HE3 LYS A 17 19.667 4.665 6.544 1.00 0.00 H ATOM 271 HZ1 LYS A 17 20.552 3.932 3.796 1.00 0.00 H ATOM 272 HZ2 LYS A 17 19.973 5.454 4.278 1.00 0.00 H ATOM 273 HZ3 LYS A 17 21.437 4.864 4.907 1.00 0.00 H ATOM 274 H LYS A 17 16.737 1.530 8.245 1.00 0.00 H ATOM 275 N LEU A 18 13.949 0.561 6.934 1.00 1.43 N ATOM 276 CA LEU A 18 12.764 -0.265 6.588 1.00 1.36 C ATOM 277 C LEU A 18 11.559 0.314 7.314 1.00 1.31 C ATOM 278 O LEU A 18 10.469 0.403 6.784 1.00 1.26 O ATOM 279 CB LEU A 18 13.015 -1.702 7.065 1.00 1.35 C ATOM 280 CG LEU A 18 12.058 -2.699 6.364 1.00 1.35 C ATOM 281 CD1 LEU A 18 12.734 -4.067 6.244 1.00 1.28 C ATOM 282 CD2 LEU A 18 10.769 -2.859 7.179 1.00 1.41 C ATOM 283 HA LEU A 18 12.586 -0.265 5.513 1.00 0.00 H ATOM 284 HB2 LEU A 18 14.045 -1.978 6.838 1.00 0.00 H ATOM 285 HB3 LEU A 18 12.855 -1.753 8.142 1.00 0.00 H ATOM 286 HG LEU A 18 11.819 -2.311 5.374 1.00 0.00 H ATOM 287 HD21 LEU A 18 11.013 -3.236 8.172 1.00 0.00 H ATOM 288 HD22 LEU A 18 10.274 -1.892 7.268 1.00 0.00 H ATOM 289 HD23 LEU A 18 10.106 -3.562 6.674 1.00 0.00 H ATOM 290 HD11 LEU A 18 13.647 -3.969 5.657 1.00 0.00 H ATOM 291 HD12 LEU A 18 12.978 -4.439 7.239 1.00 0.00 H ATOM 292 HD13 LEU A 18 12.056 -4.764 5.750 1.00 0.00 H ATOM 293 H LEU A 18 14.812 0.106 7.295 1.00 0.00 H ATOM 294 N ASN A 19 11.767 0.717 8.530 1.00 1.33 N ATOM 295 CA ASN A 19 10.654 1.310 9.322 1.00 1.29 C ATOM 296 C ASN A 19 10.259 2.651 8.700 1.00 1.30 C ATOM 297 O ASN A 19 9.113 2.880 8.364 1.00 1.25 O ATOM 298 CB ASN A 19 11.113 1.532 10.765 1.00 1.32 C ATOM 299 CG ASN A 19 9.910 1.915 11.629 1.00 1.27 C ATOM 300 OD1 ASN A 19 9.142 1.064 12.033 1.00 1.29 O ATOM 301 ND2 ASN A 19 9.712 3.169 11.931 1.00 1.22 N ATOM 302 HA ASN A 19 9.799 0.634 9.317 1.00 0.00 H ATOM 303 HB2 ASN A 19 11.560 0.615 11.150 1.00 0.00 H ATOM 304 HB3 ASN A 19 11.851 2.334 10.793 1.00 0.00 H ATOM 305 HD22 ASN A 19 10.369 3.897 11.585 1.00 0.00 H ATOM 306 HD21 ASN A 19 8.897 3.440 12.517 1.00 0.00 H ATOM 307 H ASN A 19 12.713 0.626 8.952 1.00 0.00 H ATOM 308 N VAL A 20 11.204 3.537 8.539 1.00 1.36 N ATOM 309 CA VAL A 20 10.889 4.861 7.933 1.00 1.38 C ATOM 310 C VAL A 20 10.364 4.659 6.509 1.00 1.34 C ATOM 311 O VAL A 20 9.550 5.420 6.026 1.00 1.32 O ATOM 312 CB VAL A 20 12.155 5.717 7.892 1.00 1.46 C ATOM 313 CG1 VAL A 20 11.788 7.152 7.514 1.00 1.48 C ATOM 314 CG2 VAL A 20 12.822 5.708 9.269 1.00 1.50 C ATOM 315 HA VAL A 20 10.130 5.363 8.533 1.00 0.00 H ATOM 316 HB VAL A 20 12.844 5.311 7.152 1.00 0.00 H ATOM 317 HG11 VAL A 20 11.313 7.158 6.533 1.00 0.00 H ATOM 318 HG12 VAL A 20 11.099 7.557 8.255 1.00 0.00 H ATOM 319 HG13 VAL A 20 12.691 7.761 7.485 1.00 0.00 H ATOM 320 HG21 VAL A 20 12.132 6.114 10.008 1.00 0.00 H ATOM 321 HG22 VAL A 20 13.083 4.685 9.538 1.00 0.00 H ATOM 322 HG23 VAL A 20 13.724 6.319 9.238 1.00 0.00 H ATOM 323 H VAL A 20 12.177 3.319 8.834 1.00 0.00 H ATOM 324 N VAL A 21 10.821 3.640 5.833 1.00 1.33 N ATOM 325 CA VAL A 21 10.340 3.398 4.443 1.00 1.30 C ATOM 326 C VAL A 21 8.835 3.100 4.483 1.00 1.22 C ATOM 327 O VAL A 21 8.083 3.553 3.639 1.00 1.19 O ATOM 328 CB VAL A 21 11.116 2.221 3.826 1.00 1.30 C ATOM 329 CG1 VAL A 21 10.393 1.710 2.574 1.00 1.26 C ATOM 330 CG2 VAL A 21 12.529 2.689 3.436 1.00 1.38 C ATOM 331 HA VAL A 21 10.510 4.280 3.826 1.00 0.00 H ATOM 332 HB VAL A 21 11.179 1.416 4.558 1.00 0.00 H ATOM 333 HG11 VAL A 21 9.392 1.376 2.845 1.00 0.00 H ATOM 334 HG12 VAL A 21 10.323 2.515 1.843 1.00 0.00 H ATOM 335 HG13 VAL A 21 10.952 0.877 2.147 1.00 0.00 H ATOM 336 HG21 VAL A 21 12.455 3.498 2.709 1.00 0.00 H ATOM 337 HG22 VAL A 21 13.051 3.044 4.325 1.00 0.00 H ATOM 338 HG23 VAL A 21 13.079 1.855 2.999 1.00 0.00 H ATOM 339 H VAL A 21 11.518 2.999 6.263 1.00 0.00 H ATOM 340 N LYS A 22 8.374 2.375 5.471 1.00 1.19 N ATOM 341 CA LYS A 22 6.923 2.103 5.553 1.00 1.12 C ATOM 342 C LYS A 22 6.244 3.451 5.734 1.00 1.12 C ATOM 343 O LYS A 22 5.232 3.712 5.150 1.00 1.09 O ATOM 344 CB LYS A 22 6.652 1.151 6.741 1.00 1.09 C ATOM 345 CG LYS A 22 5.208 1.300 7.307 1.00 1.03 C ATOM 346 CD LYS A 22 5.203 0.979 8.808 1.00 1.03 C ATOM 347 CE LYS A 22 5.728 2.187 9.601 1.00 1.09 C ATOM 348 NZ LYS A 22 6.448 1.708 10.815 1.00 1.14 N ATOM 349 HA LYS A 22 6.537 1.614 4.659 1.00 0.00 H ATOM 350 HB2 LYS A 22 6.792 0.124 6.405 1.00 0.00 H ATOM 351 HB3 LYS A 22 7.364 1.372 7.536 1.00 0.00 H ATOM 352 HG2 LYS A 22 4.863 2.322 7.154 1.00 0.00 H ATOM 353 HG3 LYS A 22 4.542 0.611 6.787 1.00 0.00 H ATOM 354 HD2 LYS A 22 4.186 0.751 9.126 1.00 0.00 H ATOM 355 HD3 LYS A 22 5.843 0.117 8.996 1.00 0.00 H ATOM 356 HE2 LYS A 22 4.891 2.818 9.900 1.00 0.00 H ATOM 357 HE3 LYS A 22 6.411 2.763 8.977 1.00 0.00 H ATOM 358 HZ1 LYS A 22 5.795 1.159 11.410 1.00 0.00 H ATOM 359 HZ2 LYS A 22 7.247 1.107 10.528 1.00 0.00 H ATOM 360 HZ3 LYS A 22 6.803 2.525 11.351 1.00 0.00 H ATOM 361 H LYS A 22 9.022 1.995 6.190 1.00 0.00 H ATOM 362 N LYS A 23 6.800 4.293 6.557 1.00 1.17 N ATOM 363 CA LYS A 23 6.190 5.637 6.804 1.00 1.18 C ATOM 364 C LYS A 23 6.131 6.461 5.506 1.00 1.20 C ATOM 365 O LYS A 23 5.280 7.317 5.342 1.00 1.20 O ATOM 366 CB LYS A 23 7.023 6.388 7.846 1.00 1.25 C ATOM 367 CG LYS A 23 6.985 5.630 9.176 1.00 1.23 C ATOM 368 CD LYS A 23 7.481 6.540 10.302 1.00 1.29 C ATOM 369 CE LYS A 23 7.324 5.822 11.644 1.00 1.36 C ATOM 370 NZ LYS A 23 7.487 6.804 12.753 1.00 1.39 N ATOM 371 HA LYS A 23 5.173 5.494 7.169 1.00 0.00 H ATOM 372 HB2 LYS A 23 8.054 6.464 7.501 1.00 0.00 H ATOM 373 HB3 LYS A 23 6.613 7.388 7.986 1.00 0.00 H ATOM 374 HG2 LYS A 23 5.962 5.317 9.386 1.00 0.00 H ATOM 375 HG3 LYS A 23 7.626 4.751 9.111 1.00 0.00 H ATOM 376 HD2 LYS A 23 8.532 6.781 10.139 1.00 0.00 H ATOM 377 HD3 LYS A 23 6.896 7.460 10.311 1.00 0.00 H ATOM 378 HE2 LYS A 23 8.083 5.045 11.732 1.00 0.00 H ATOM 379 HE3 LYS A 23 6.334 5.370 11.701 1.00 0.00 H ATOM 380 HZ1 LYS A 23 8.432 7.234 12.697 1.00 0.00 H ATOM 381 HZ2 LYS A 23 6.762 7.545 12.668 1.00 0.00 H ATOM 382 HZ3 LYS A 23 7.380 6.316 13.665 1.00 0.00 H ATOM 383 H LYS A 23 7.678 4.029 7.048 1.00 0.00 H ATOM 384 N THR A 24 7.005 6.214 4.573 1.00 1.22 N ATOM 385 CA THR A 24 6.951 6.996 3.304 1.00 1.24 C ATOM 386 C THR A 24 5.803 6.450 2.483 1.00 1.18 C ATOM 387 O THR A 24 5.150 7.148 1.727 1.00 1.18 O ATOM 388 CB THR A 24 8.267 6.841 2.536 1.00 1.30 C ATOM 389 OG1 THR A 24 9.356 7.110 3.409 1.00 1.36 O ATOM 390 CG2 THR A 24 8.295 7.821 1.363 1.00 1.31 C ATOM 391 HA THR A 24 6.804 8.056 3.512 1.00 0.00 H ATOM 392 HB THR A 24 8.349 5.823 2.155 1.00 0.00 H ATOM 393 HG1 THR A 24 9.336 6.472 4.166 1.00 0.00 H ATOM 394 HG23 THR A 24 7.459 7.611 0.696 1.00 0.00 H ATOM 395 HG21 THR A 24 8.214 8.840 1.741 1.00 0.00 H ATOM 396 HG22 THR A 24 9.233 7.708 0.819 1.00 0.00 H ATOM 397 H THR A 24 7.731 5.482 4.711 1.00 0.00 H ATOM 398 N LEU A 25 5.525 5.203 2.665 1.00 1.13 N ATOM 399 CA LEU A 25 4.398 4.589 1.951 1.00 1.07 C ATOM 400 C LEU A 25 3.119 5.081 2.635 1.00 1.03 C ATOM 401 O LEU A 25 2.089 5.239 2.012 1.00 0.99 O ATOM 402 CB LEU A 25 4.572 3.075 2.031 1.00 1.03 C ATOM 403 CG LEU A 25 5.870 2.709 1.288 1.00 1.08 C ATOM 404 CD1 LEU A 25 6.241 1.239 1.553 1.00 1.06 C ATOM 405 CD2 LEU A 25 5.710 2.976 -0.230 1.00 1.09 C ATOM 406 HA LEU A 25 4.348 4.860 0.896 1.00 0.00 H ATOM 407 HB2 LEU A 25 4.641 2.764 3.073 1.00 0.00 H ATOM 408 HB3 LEU A 25 3.723 2.579 1.561 1.00 0.00 H ATOM 409 HG LEU A 25 6.680 3.335 1.661 1.00 0.00 H ATOM 410 HD21 LEU A 25 4.892 2.371 -0.620 1.00 0.00 H ATOM 411 HD22 LEU A 25 5.491 4.032 -0.391 1.00 0.00 H ATOM 412 HD23 LEU A 25 6.635 2.713 -0.743 1.00 0.00 H ATOM 413 HD11 LEU A 25 6.388 1.090 2.623 1.00 0.00 H ATOM 414 HD12 LEU A 25 5.436 0.593 1.203 1.00 0.00 H ATOM 415 HD13 LEU A 25 7.161 0.996 1.021 1.00 0.00 H ATOM 416 H LEU A 25 6.099 4.632 3.318 1.00 0.00 H ATOM 417 N ILE A 26 3.203 5.389 3.912 1.00 1.04 N ATOM 418 CA ILE A 26 2.024 5.934 4.626 1.00 1.01 C ATOM 419 C ILE A 26 1.722 7.287 4.006 1.00 1.05 C ATOM 420 O ILE A 26 0.597 7.692 3.938 1.00 1.02 O ATOM 421 CB ILE A 26 2.340 6.113 6.127 1.00 1.03 C ATOM 422 CG1 ILE A 26 2.544 4.736 6.757 1.00 0.99 C ATOM 423 CG2 ILE A 26 1.178 6.822 6.846 1.00 1.02 C ATOM 424 CD1 ILE A 26 2.716 4.859 8.275 1.00 1.01 C ATOM 425 HA ILE A 26 1.175 5.256 4.539 1.00 0.00 H ATOM 426 HB ILE A 26 3.240 6.720 6.228 1.00 0.00 H ATOM 427 HG12 ILE A 26 1.676 4.112 6.544 1.00 0.00 H ATOM 428 HG13 ILE A 26 3.435 4.275 6.331 1.00 0.00 H ATOM 429 HD11 ILE A 26 3.585 5.480 8.492 1.00 0.00 H ATOM 430 HD12 ILE A 26 1.825 5.317 8.704 1.00 0.00 H ATOM 431 HD13 ILE A 26 2.860 3.868 8.705 1.00 0.00 H ATOM 432 HG21 ILE A 26 1.020 7.803 6.399 1.00 0.00 H ATOM 433 HG22 ILE A 26 0.271 6.225 6.745 1.00 0.00 H ATOM 434 HG23 ILE A 26 1.422 6.938 7.902 1.00 0.00 H ATOM 435 H ILE A 26 4.099 5.250 4.421 1.00 0.00 H ATOM 436 N THR A 27 2.736 7.991 3.571 1.00 1.11 N ATOM 437 CA THR A 27 2.515 9.338 2.962 1.00 1.15 C ATOM 438 C THR A 27 1.759 9.207 1.621 1.00 1.12 C ATOM 439 O THR A 27 0.747 9.849 1.404 1.00 1.12 O ATOM 440 CB THR A 27 3.883 10.020 2.755 1.00 1.23 C ATOM 441 OG1 THR A 27 4.337 10.530 4.001 1.00 1.27 O ATOM 442 CG2 THR A 27 3.765 11.175 1.753 1.00 1.27 C ATOM 443 HA THR A 27 1.904 9.947 3.628 1.00 0.00 H ATOM 444 HB THR A 27 4.588 9.287 2.363 1.00 0.00 H ATOM 445 HG1 THR A 27 5.215 10.970 3.876 1.00 0.00 H ATOM 446 HG23 THR A 27 3.417 10.789 0.795 1.00 0.00 H ATOM 447 HG21 THR A 27 3.054 11.910 2.130 1.00 0.00 H ATOM 448 HG22 THR A 27 4.741 11.644 1.624 1.00 0.00 H ATOM 449 H THR A 27 3.701 7.611 3.650 1.00 0.00 H ATOM 450 N PHE A 28 2.238 8.389 0.720 1.00 1.10 N ATOM 451 CA PHE A 28 1.539 8.240 -0.600 1.00 1.07 C ATOM 452 C PHE A 28 0.049 7.930 -0.346 1.00 1.01 C ATOM 453 O PHE A 28 -0.848 8.482 -0.980 1.00 1.02 O ATOM 454 CB PHE A 28 2.241 7.116 -1.411 1.00 1.05 C ATOM 455 CG PHE A 28 1.278 6.402 -2.338 1.00 1.03 C ATOM 456 CD1 PHE A 28 0.757 7.068 -3.453 1.00 1.08 C ATOM 457 CD2 PHE A 28 0.893 5.080 -2.070 1.00 0.97 C ATOM 458 CE1 PHE A 28 -0.149 6.415 -4.292 1.00 1.06 C ATOM 459 CE2 PHE A 28 -0.009 4.428 -2.917 1.00 0.96 C ATOM 460 CZ PHE A 28 -0.533 5.097 -4.026 1.00 1.00 C ATOM 461 HA PHE A 28 1.593 9.160 -1.182 1.00 0.00 H ATOM 462 HB2 PHE A 28 3.041 7.557 -2.005 1.00 0.00 H ATOM 463 HB3 PHE A 28 2.664 6.391 -0.716 1.00 0.00 H ATOM 464 HD2 PHE A 28 1.297 4.561 -1.201 1.00 0.00 H ATOM 465 HE2 PHE A 28 -0.303 3.399 -2.712 1.00 0.00 H ATOM 466 HZ PHE A 28 -1.241 4.592 -4.683 1.00 0.00 H ATOM 467 HE1 PHE A 28 -0.558 6.935 -5.158 1.00 0.00 H ATOM 468 HD1 PHE A 28 1.057 8.094 -3.666 1.00 0.00 H ATOM 469 H PHE A 28 3.101 7.843 0.918 1.00 0.00 H ATOM 470 N VAL A 29 -0.229 7.074 0.589 1.00 0.97 N ATOM 471 CA VAL A 29 -1.646 6.754 0.888 1.00 0.92 C ATOM 472 C VAL A 29 -2.295 7.977 1.554 1.00 0.95 C ATOM 473 O VAL A 29 -3.447 8.286 1.319 1.00 0.94 O ATOM 474 CB VAL A 29 -1.696 5.533 1.809 1.00 0.86 C ATOM 475 CG1 VAL A 29 -3.145 5.097 2.011 1.00 0.81 C ATOM 476 CG2 VAL A 29 -0.915 4.386 1.164 1.00 0.85 C ATOM 477 HA VAL A 29 -2.194 6.520 -0.025 1.00 0.00 H ATOM 478 HB VAL A 29 -1.257 5.790 2.773 1.00 0.00 H ATOM 479 HG11 VAL A 29 -3.709 5.913 2.462 1.00 0.00 H ATOM 480 HG12 VAL A 29 -3.584 4.840 1.047 1.00 0.00 H ATOM 481 HG13 VAL A 29 -3.173 4.227 2.668 1.00 0.00 H ATOM 482 HG21 VAL A 29 -1.364 4.139 0.202 1.00 0.00 H ATOM 483 HG22 VAL A 29 0.121 4.692 1.016 1.00 0.00 H ATOM 484 HG23 VAL A 29 -0.948 3.514 1.817 1.00 0.00 H ATOM 485 H VAL A 29 0.536 6.616 1.124 1.00 0.00 H ATOM 486 N ASN A 30 -1.553 8.688 2.362 1.00 0.99 N ATOM 487 CA ASN A 30 -2.101 9.906 3.024 1.00 1.03 C ATOM 488 C ASN A 30 -2.509 10.880 1.932 1.00 1.06 C ATOM 489 O ASN A 30 -3.226 11.816 2.156 1.00 1.09 O ATOM 490 CB ASN A 30 -1.025 10.540 3.928 1.00 1.08 C ATOM 491 CG ASN A 30 -1.658 11.098 5.202 1.00 1.08 C ATOM 492 OD1 ASN A 30 -2.025 12.255 5.265 1.00 1.11 O ATOM 493 ND2 ASN A 30 -1.799 10.306 6.224 1.00 1.06 N ATOM 494 HA ASN A 30 -2.960 9.652 3.645 1.00 0.00 H ATOM 495 HB2 ASN A 30 -0.288 9.782 4.195 1.00 0.00 H ATOM 496 HB3 ASN A 30 -0.533 11.349 3.388 1.00 0.00 H ATOM 497 HD22 ASN A 30 -1.483 9.317 6.163 1.00 0.00 H ATOM 498 HD21 ASN A 30 -2.228 10.662 7.102 1.00 0.00 H ATOM 499 H ASN A 30 -0.570 8.401 2.545 1.00 0.00 H ATOM 500 N LYS A 31 -2.045 10.648 0.749 1.00 1.07 N ATOM 501 CA LYS A 31 -2.393 11.542 -0.383 1.00 1.11 C ATOM 502 C LYS A 31 -3.773 11.138 -0.867 1.00 1.06 C ATOM 503 O LYS A 31 -4.697 11.933 -0.892 1.00 1.08 O ATOM 504 CB LYS A 31 -1.373 11.381 -1.514 1.00 1.13 C ATOM 505 CG LYS A 31 -1.517 12.547 -2.501 1.00 1.18 C ATOM 506 CD LYS A 31 -0.413 12.478 -3.571 1.00 1.19 C ATOM 507 CE LYS A 31 0.878 13.121 -3.048 1.00 1.23 C ATOM 508 NZ LYS A 31 1.874 13.198 -4.154 1.00 1.29 N ATOM 509 HA LYS A 31 -2.383 12.585 -0.067 1.00 0.00 H ATOM 510 HB2 LYS A 31 -0.366 11.379 -1.098 1.00 0.00 H ATOM 511 HB3 LYS A 31 -1.552 10.440 -2.034 1.00 0.00 H ATOM 512 HG2 LYS A 31 -2.492 12.491 -2.985 1.00 0.00 H ATOM 513 HG3 LYS A 31 -1.435 13.489 -1.960 1.00 0.00 H ATOM 514 HD2 LYS A 31 -0.219 11.435 -3.821 1.00 0.00 H ATOM 515 HD3 LYS A 31 -0.743 13.009 -4.464 1.00 0.00 H ATOM 516 HE2 LYS A 31 1.282 12.518 -2.235 1.00 0.00 H ATOM 517 HE3 LYS A 31 0.662 14.125 -2.681 1.00 0.00 H ATOM 518 HZ1 LYS A 31 2.078 12.240 -4.502 1.00 0.00 H ATOM 519 HZ2 LYS A 31 1.487 13.774 -4.928 1.00 0.00 H ATOM 520 HZ3 LYS A 31 2.750 13.634 -3.801 1.00 0.00 H ATOM 521 H LYS A 31 -1.424 9.830 0.589 1.00 0.00 H ATOM 522 N HIS A 32 -3.939 9.891 -1.218 1.00 1.01 N ATOM 523 CA HIS A 32 -5.261 9.441 -1.657 1.00 0.97 C ATOM 524 C HIS A 32 -6.244 9.739 -0.529 1.00 0.95 C ATOM 525 O HIS A 32 -7.408 9.966 -0.747 1.00 0.95 O ATOM 526 CB HIS A 32 -5.179 7.929 -1.975 1.00 0.91 C ATOM 527 CG HIS A 32 -5.843 7.075 -0.905 1.00 0.93 C ATOM 528 ND1 HIS A 32 -5.117 6.324 0.009 1.00 0.89 N ATOM 529 CD2 HIS A 32 -7.163 6.827 -0.619 1.00 0.98 C ATOM 530 CE1 HIS A 32 -6.004 5.669 0.789 1.00 0.93 C ATOM 531 NE2 HIS A 32 -7.261 5.945 0.448 1.00 0.98 N ATOM 532 HA HIS A 32 -5.598 9.954 -2.558 1.00 0.00 H ATOM 533 HB2 HIS A 32 -5.674 7.744 -2.928 1.00 0.00 H ATOM 534 HB3 HIS A 32 -4.130 7.643 -2.050 1.00 0.00 H ATOM 535 HD2 HIS A 32 -8.010 7.260 -1.152 1.00 0.00 H ATOM 536 HE1 HIS A 32 -5.725 4.996 1.600 1.00 0.00 H ATOM 537 H HIS A 32 -3.141 9.225 -1.186 1.00 0.00 H ATOM 538 N LEU A 33 -5.758 9.743 0.681 1.00 0.95 N ATOM 539 CA LEU A 33 -6.633 10.023 1.849 1.00 0.94 C ATOM 540 C LEU A 33 -6.714 11.535 2.059 1.00 1.01 C ATOM 541 O LEU A 33 -7.788 12.089 2.185 1.00 1.02 O ATOM 542 CB LEU A 33 -6.027 9.334 3.084 1.00 0.92 C ATOM 543 CG LEU A 33 -6.714 7.976 3.342 1.00 0.85 C ATOM 544 CD1 LEU A 33 -5.826 7.099 4.233 1.00 0.82 C ATOM 545 CD2 LEU A 33 -8.067 8.187 4.043 1.00 0.84 C ATOM 546 HA LEU A 33 -7.640 9.641 1.682 1.00 0.00 H ATOM 547 HB2 LEU A 33 -4.962 9.171 2.917 1.00 0.00 H ATOM 548 HB3 LEU A 33 -6.163 9.975 3.955 1.00 0.00 H ATOM 549 HG LEU A 33 -6.874 7.485 2.382 1.00 0.00 H ATOM 550 HD21 LEU A 33 -7.906 8.692 4.996 1.00 0.00 H ATOM 551 HD22 LEU A 33 -8.711 8.798 3.411 1.00 0.00 H ATOM 552 HD23 LEU A 33 -8.539 7.220 4.218 1.00 0.00 H ATOM 553 HD11 LEU A 33 -4.870 6.929 3.737 1.00 0.00 H ATOM 554 HD12 LEU A 33 -5.658 7.603 5.185 1.00 0.00 H ATOM 555 HD13 LEU A 33 -6.320 6.144 4.408 1.00 0.00 H ATOM 556 H LEU A 33 -4.747 9.548 0.830 1.00 0.00 H ATOM 557 N ASN A 34 -5.589 12.208 2.101 1.00 1.05 N ATOM 558 CA ASN A 34 -5.621 13.692 2.304 1.00 1.12 C ATOM 559 C ASN A 34 -6.700 14.296 1.401 1.00 1.14 C ATOM 560 O ASN A 34 -7.218 15.362 1.669 1.00 1.18 O ATOM 561 CB ASN A 34 -4.257 14.309 1.963 1.00 1.18 C ATOM 562 CG ASN A 34 -4.372 15.837 1.913 1.00 1.25 C ATOM 563 OD1 ASN A 34 -3.967 16.519 2.834 1.00 1.26 O ATOM 564 ND2 ASN A 34 -4.910 16.405 0.869 1.00 1.29 N ATOM 565 HA ASN A 34 -5.847 13.906 3.349 1.00 0.00 H ATOM 566 HB2 ASN A 34 -3.531 14.026 2.725 1.00 0.00 H ATOM 567 HB3 ASN A 34 -3.925 13.939 0.993 1.00 0.00 H ATOM 568 HD22 ASN A 34 -5.257 15.822 0.081 1.00 0.00 H ATOM 569 HD21 ASN A 34 -4.992 17.441 0.825 1.00 0.00 H ATOM 570 H ASN A 34 -4.680 11.714 1.994 1.00 0.00 H ATOM 571 N LYS A 35 -7.064 13.613 0.345 1.00 1.11 N ATOM 572 CA LYS A 35 -8.133 14.163 -0.534 1.00 1.13 C ATOM 573 C LYS A 35 -9.383 14.317 0.338 1.00 1.11 C ATOM 574 O LYS A 35 -9.887 15.404 0.539 1.00 1.16 O ATOM 575 CB LYS A 35 -8.386 13.182 -1.707 1.00 1.10 C ATOM 576 CG LYS A 35 -8.062 13.849 -3.057 1.00 0.97 C ATOM 577 CD LYS A 35 -6.536 13.990 -3.219 1.00 1.01 C ATOM 578 CE LYS A 35 -5.927 12.684 -3.768 1.00 1.10 C ATOM 579 NZ LYS A 35 -5.791 12.788 -5.249 1.00 1.15 N ATOM 580 HA LYS A 35 -7.854 15.125 -0.964 1.00 0.00 H ATOM 581 HB2 LYS A 35 -7.753 12.303 -1.581 1.00 0.00 H ATOM 582 HB3 LYS A 35 -9.433 12.879 -1.700 1.00 0.00 H ATOM 583 HG2 LYS A 35 -8.457 13.236 -3.867 1.00 0.00 H ATOM 584 HG3 LYS A 35 -8.522 14.836 -3.092 1.00 0.00 H ATOM 585 HD2 LYS A 35 -6.322 14.804 -3.911 1.00 0.00 H ATOM 586 HD3 LYS A 35 -6.091 14.213 -2.249 1.00 0.00 H ATOM 587 HE2 LYS A 35 -6.578 11.846 -3.520 1.00 0.00 H ATOM 588 HE3 LYS A 35 -4.945 12.524 -3.322 1.00 0.00 H ATOM 589 HZ1 LYS A 35 -6.729 12.940 -5.672 1.00 0.00 H ATOM 590 HZ2 LYS A 35 -5.169 13.588 -5.483 1.00 0.00 H ATOM 591 HZ3 LYS A 35 -5.380 11.908 -5.621 1.00 0.00 H ATOM 592 H LYS A 35 -6.614 12.702 0.124 1.00 0.00 H ATOM 593 N LEU A 36 -9.854 13.233 0.891 1.00 1.04 N ATOM 594 CA LEU A 36 -11.036 13.306 1.794 1.00 1.02 C ATOM 595 C LEU A 36 -10.568 13.971 3.098 1.00 1.05 C ATOM 596 O LEU A 36 -11.294 14.092 4.058 1.00 1.03 O ATOM 597 CB LEU A 36 -11.527 11.875 2.070 1.00 0.95 C ATOM 598 CG LEU A 36 -13.063 11.810 2.212 1.00 0.94 C ATOM 599 CD1 LEU A 36 -13.537 12.733 3.340 1.00 0.97 C ATOM 600 CD2 LEU A 36 -13.747 12.208 0.884 1.00 0.89 C ATOM 601 HA LEU A 36 -11.852 13.879 1.352 1.00 0.00 H ATOM 602 HB2 LEU A 36 -11.222 11.232 1.244 1.00 0.00 H ATOM 603 HB3 LEU A 36 -11.072 11.518 2.994 1.00 0.00 H ATOM 604 HG LEU A 36 -13.340 10.784 2.457 1.00 0.00 H ATOM 605 HD21 LEU A 36 -13.458 13.225 0.619 1.00 0.00 H ATOM 606 HD22 LEU A 36 -13.434 11.523 0.096 1.00 0.00 H ATOM 607 HD23 LEU A 36 -14.829 12.156 1.004 1.00 0.00 H ATOM 608 HD11 LEU A 36 -13.080 12.421 4.279 1.00 0.00 H ATOM 609 HD12 LEU A 36 -13.245 13.759 3.116 1.00 0.00 H ATOM 610 HD13 LEU A 36 -14.622 12.673 3.425 1.00 0.00 H ATOM 611 H LEU A 36 -9.403 12.316 0.701 1.00 0.00 H ATOM 612 N ASN A 37 -9.332 14.376 3.112 1.00 1.11 N ATOM 613 CA ASN A 37 -8.724 15.026 4.298 1.00 1.16 C ATOM 614 C ASN A 37 -8.797 14.099 5.511 1.00 1.11 C ATOM 615 O ASN A 37 -9.649 14.194 6.367 1.00 1.12 O ATOM 616 CB ASN A 37 -9.377 16.395 4.540 1.00 1.22 C ATOM 617 CG ASN A 37 -10.695 16.295 5.321 1.00 1.19 C ATOM 618 OD1 ASN A 37 -11.759 16.241 4.738 1.00 1.16 O ATOM 619 ND2 ASN A 37 -10.671 16.305 6.627 1.00 1.21 N ATOM 620 HA ASN A 37 -7.665 15.210 4.116 1.00 0.00 H ATOM 621 HB2 ASN A 37 -8.683 17.017 5.105 1.00 0.00 H ATOM 622 HB3 ASN A 37 -9.578 16.861 3.575 1.00 0.00 H ATOM 623 HD22 ASN A 37 -9.762 16.351 7.130 1.00 0.00 H ATOM 624 HD21 ASN A 37 -11.561 16.267 7.164 1.00 0.00 H ATOM 625 H ASN A 37 -8.750 14.239 2.261 1.00 0.00 H ATOM 626 N LEU A 38 -7.872 13.185 5.565 1.00 1.06 N ATOM 627 CA LEU A 38 -7.813 12.207 6.695 1.00 1.02 C ATOM 628 C LEU A 38 -6.342 11.942 7.041 1.00 1.02 C ATOM 629 O LEU A 38 -5.488 12.775 6.810 1.00 1.06 O ATOM 630 CB LEU A 38 -8.498 10.904 6.270 1.00 0.98 C ATOM 631 CG LEU A 38 -10.025 11.096 6.222 1.00 0.97 C ATOM 632 CD1 LEU A 38 -10.673 9.841 5.619 1.00 0.96 C ATOM 633 CD2 LEU A 38 -10.584 11.341 7.643 1.00 1.02 C ATOM 634 HA LEU A 38 -8.325 12.607 7.570 1.00 0.00 H ATOM 635 HB2 LEU A 38 -8.140 10.615 5.282 1.00 0.00 H ATOM 636 HB3 LEU A 38 -8.256 10.119 6.987 1.00 0.00 H ATOM 637 HG LEU A 38 -10.256 11.964 5.604 1.00 0.00 H ATOM 638 HD21 LEU A 38 -10.354 10.484 8.275 1.00 0.00 H ATOM 639 HD22 LEU A 38 -10.126 12.237 8.063 1.00 0.00 H ATOM 640 HD23 LEU A 38 -11.664 11.474 7.589 1.00 0.00 H ATOM 641 HD11 LEU A 38 -10.291 9.686 4.610 1.00 0.00 H ATOM 642 HD12 LEU A 38 -10.432 8.976 6.237 1.00 0.00 H ATOM 643 HD13 LEU A 38 -11.754 9.973 5.583 1.00 0.00 H ATOM 644 H LEU A 38 -7.161 13.134 4.808 1.00 0.00 H ATOM 645 N GLU A 39 -6.031 10.801 7.596 1.00 1.02 N ATOM 646 CA GLU A 39 -4.612 10.515 7.951 1.00 1.03 C ATOM 647 C GLU A 39 -4.429 9.025 8.270 1.00 0.98 C ATOM 648 O GLU A 39 -5.018 8.495 9.191 1.00 0.95 O ATOM 649 CB GLU A 39 -4.215 11.347 9.173 1.00 1.08 C ATOM 650 CG GLU A 39 -2.696 11.305 9.346 1.00 1.11 C ATOM 651 CD GLU A 39 -2.309 12.015 10.645 1.00 1.16 C ATOM 652 OE1 GLU A 39 -2.998 11.820 11.632 1.00 1.13 O ATOM 653 OE2 GLU A 39 -1.330 12.743 10.629 1.00 1.24 O ATOM 654 HA GLU A 39 -3.979 10.775 7.103 1.00 0.00 H ATOM 655 HB2 GLU A 39 -4.537 12.379 9.031 1.00 0.00 H ATOM 656 HB3 GLU A 39 -4.694 10.938 10.063 1.00 0.00 H ATOM 657 HG2 GLU A 39 -2.363 10.268 9.386 1.00 0.00 H ATOM 658 HG3 GLU A 39 -2.220 11.806 8.503 1.00 0.00 H ATOM 659 H GLU A 39 -6.770 10.095 7.789 1.00 0.00 H ATOM 660 N VAL A 40 -3.600 8.355 7.513 1.00 0.98 N ATOM 661 CA VAL A 40 -3.342 6.896 7.749 1.00 0.94 C ATOM 662 C VAL A 40 -2.107 6.745 8.645 1.00 0.95 C ATOM 663 O VAL A 40 -1.303 7.648 8.759 1.00 0.99 O ATOM 664 CB VAL A 40 -3.089 6.212 6.401 1.00 0.91 C ATOM 665 CG1 VAL A 40 -2.058 7.025 5.587 1.00 0.94 C ATOM 666 CG2 VAL A 40 -2.576 4.782 6.631 1.00 0.89 C ATOM 667 HA VAL A 40 -4.202 6.436 8.236 1.00 0.00 H ATOM 668 HB VAL A 40 -4.023 6.165 5.840 1.00 0.00 H ATOM 669 HG11 VAL A 40 -2.444 8.030 5.415 1.00 0.00 H ATOM 670 HG12 VAL A 40 -1.122 7.084 6.143 1.00 0.00 H ATOM 671 HG13 VAL A 40 -1.883 6.533 4.630 1.00 0.00 H ATOM 672 HG21 VAL A 40 -1.646 4.818 7.198 1.00 0.00 H ATOM 673 HG22 VAL A 40 -3.321 4.215 7.189 1.00 0.00 H ATOM 674 HG23 VAL A 40 -2.398 4.302 5.669 1.00 0.00 H ATOM 675 H VAL A 40 -3.111 8.841 6.734 1.00 0.00 H ATOM 676 N THR A 41 -1.954 5.612 9.293 1.00 0.93 N ATOM 677 CA THR A 41 -0.771 5.415 10.195 1.00 0.95 C ATOM 678 C THR A 41 -0.234 3.980 10.101 1.00 0.91 C ATOM 679 O THR A 41 0.867 3.709 10.537 1.00 0.96 O ATOM 680 CB THR A 41 -1.200 5.674 11.648 1.00 1.01 C ATOM 681 OG1 THR A 41 -2.220 6.663 11.668 1.00 1.12 O ATOM 682 CG2 THR A 41 -0.003 6.156 12.475 1.00 1.20 C ATOM 683 HA THR A 41 0.012 6.108 9.886 1.00 0.00 H ATOM 684 HB THR A 41 -1.577 4.747 12.079 1.00 0.00 H ATOM 685 HG1 THR A 41 -1.874 7.501 11.270 1.00 0.00 H ATOM 686 HG23 THR A 41 0.778 5.396 12.458 1.00 0.00 H ATOM 687 HG21 THR A 41 0.381 7.083 12.050 1.00 0.00 H ATOM 688 HG22 THR A 41 -0.320 6.331 13.503 1.00 0.00 H ATOM 689 H THR A 41 -2.654 4.851 9.181 1.00 0.00 H ATOM 690 N GLU A 42 -1.002 3.051 9.579 1.00 0.86 N ATOM 691 CA GLU A 42 -0.524 1.629 9.511 1.00 0.83 C ATOM 692 C GLU A 42 -0.611 1.107 8.076 1.00 0.81 C ATOM 693 O GLU A 42 -1.538 0.418 7.714 1.00 0.88 O ATOM 694 CB GLU A 42 -1.395 0.762 10.443 1.00 0.78 C ATOM 695 CG GLU A 42 -2.813 1.338 10.504 1.00 0.77 C ATOM 696 CD GLU A 42 -3.709 0.414 11.331 1.00 0.78 C ATOM 697 OE1 GLU A 42 -3.186 -0.264 12.200 1.00 0.84 O ATOM 698 OE2 GLU A 42 -4.904 0.401 11.081 1.00 0.83 O ATOM 699 HA GLU A 42 0.517 1.581 9.831 1.00 0.00 H ATOM 700 HB2 GLU A 42 -1.433 -0.258 10.059 1.00 0.00 H ATOM 701 HB3 GLU A 42 -0.962 0.756 11.443 1.00 0.00 H ATOM 702 HG2 GLU A 42 -2.784 2.325 10.966 1.00 0.00 H ATOM 703 HG3 GLU A 42 -3.214 1.423 9.494 1.00 0.00 H ATOM 704 H GLU A 42 -1.943 3.301 9.212 1.00 0.00 H ATOM 705 N LEU A 43 0.364 1.403 7.264 1.00 0.80 N ATOM 706 CA LEU A 43 0.337 0.899 5.866 1.00 0.78 C ATOM 707 C LEU A 43 0.209 -0.624 5.911 1.00 0.74 C ATOM 708 O LEU A 43 -0.557 -1.229 5.184 1.00 0.70 O ATOM 709 CB LEU A 43 1.643 1.322 5.173 1.00 0.86 C ATOM 710 CG LEU A 43 1.777 0.708 3.769 1.00 0.83 C ATOM 711 CD1 LEU A 43 2.161 -0.786 3.832 1.00 0.85 C ATOM 712 CD2 LEU A 43 0.464 0.886 2.994 1.00 0.90 C ATOM 713 HA LEU A 43 -0.505 1.309 5.308 1.00 0.00 H ATOM 714 HB2 LEU A 43 1.659 2.408 5.085 1.00 0.00 H ATOM 715 HB3 LEU A 43 2.486 0.996 5.782 1.00 0.00 H ATOM 716 HG LEU A 43 2.580 1.232 3.250 1.00 0.00 H ATOM 717 HD21 LEU A 43 -0.343 0.387 3.530 1.00 0.00 H ATOM 718 HD22 LEU A 43 0.239 1.949 2.903 1.00 0.00 H ATOM 719 HD23 LEU A 43 0.568 0.448 2.001 1.00 0.00 H ATOM 720 HD11 LEU A 43 3.116 -0.893 4.346 1.00 0.00 H ATOM 721 HD12 LEU A 43 1.391 -1.335 4.375 1.00 0.00 H ATOM 722 HD13 LEU A 43 2.245 -1.181 2.820 1.00 0.00 H ATOM 723 H LEU A 43 1.158 1.989 7.593 1.00 0.00 H ATOM 724 N GLU A 44 0.964 -1.251 6.759 1.00 0.79 N ATOM 725 CA GLU A 44 0.905 -2.740 6.854 1.00 0.77 C ATOM 726 C GLU A 44 -0.552 -3.242 6.995 1.00 0.69 C ATOM 727 O GLU A 44 -1.066 -3.988 6.174 1.00 0.70 O ATOM 728 CB GLU A 44 1.721 -3.201 8.087 1.00 0.83 C ATOM 729 CG GLU A 44 2.590 -2.058 8.604 1.00 0.84 C ATOM 730 CD GLU A 44 3.485 -2.564 9.736 1.00 0.99 C ATOM 731 OE1 GLU A 44 3.160 -3.592 10.308 1.00 1.14 O ATOM 732 OE2 GLU A 44 4.481 -1.916 10.013 1.00 1.11 O ATOM 733 HA GLU A 44 1.322 -3.157 5.938 1.00 0.00 H ATOM 734 HB2 GLU A 44 1.036 -3.517 8.874 1.00 0.00 H ATOM 735 HB3 GLU A 44 2.359 -4.038 7.804 1.00 0.00 H ATOM 736 HG2 GLU A 44 3.211 -1.679 7.792 1.00 0.00 H ATOM 737 HG3 GLU A 44 1.952 -1.257 8.977 1.00 0.00 H ATOM 738 H GLU A 44 1.611 -0.716 7.373 1.00 0.00 H ATOM 739 N THR A 45 -1.207 -2.862 8.049 1.00 0.65 N ATOM 740 CA THR A 45 -2.600 -3.343 8.278 1.00 0.60 C ATOM 741 C THR A 45 -3.594 -2.598 7.392 1.00 0.58 C ATOM 742 O THR A 45 -4.779 -2.859 7.434 1.00 0.58 O ATOM 743 CB THR A 45 -2.974 -3.128 9.745 1.00 0.65 C ATOM 744 OG1 THR A 45 -3.249 -1.754 9.962 1.00 0.84 O ATOM 745 CG2 THR A 45 -1.816 -3.568 10.641 1.00 0.64 C ATOM 746 HA THR A 45 -2.642 -4.403 8.027 1.00 0.00 H ATOM 747 HB THR A 45 -3.858 -3.719 9.986 1.00 0.00 H ATOM 748 HG1 THR A 45 -3.491 -1.613 10.911 1.00 0.00 H ATOM 749 HG23 THR A 45 -1.608 -4.624 10.471 1.00 0.00 H ATOM 750 HG21 THR A 45 -0.930 -2.979 10.403 1.00 0.00 H ATOM 751 HG22 THR A 45 -2.087 -3.413 11.685 1.00 0.00 H ATOM 752 H THR A 45 -0.760 -2.221 8.735 1.00 0.00 H ATOM 753 N GLN A 46 -3.145 -1.685 6.580 1.00 0.59 N ATOM 754 CA GLN A 46 -4.101 -0.968 5.714 1.00 0.59 C ATOM 755 C GLN A 46 -4.525 -1.913 4.604 1.00 0.54 C ATOM 756 O GLN A 46 -5.560 -1.739 3.991 1.00 0.58 O ATOM 757 CB GLN A 46 -3.456 0.296 5.135 1.00 0.65 C ATOM 758 CG GLN A 46 -3.509 1.438 6.183 1.00 0.66 C ATOM 759 CD GLN A 46 -4.653 2.410 5.862 1.00 0.78 C ATOM 760 OE1 GLN A 46 -4.857 2.770 4.719 1.00 0.81 O ATOM 761 NE2 GLN A 46 -5.409 2.852 6.830 1.00 1.04 N ATOM 762 HA GLN A 46 -4.972 -0.655 6.290 1.00 0.00 H ATOM 763 HB2 GLN A 46 -2.417 0.088 4.878 1.00 0.00 H ATOM 764 HB3 GLN A 46 -3.997 0.601 4.239 1.00 0.00 H ATOM 765 HG2 GLN A 46 -3.669 1.010 7.173 1.00 0.00 H ATOM 766 HG3 GLN A 46 -2.563 1.980 6.171 1.00 0.00 H ATOM 767 HE22 GLN A 46 -5.235 2.544 7.808 1.00 0.00 H ATOM 768 HE21 GLN A 46 -6.186 3.512 6.623 1.00 0.00 H ATOM 769 H GLN A 46 -2.129 -1.464 6.542 1.00 0.00 H ATOM 770 N PHE A 47 -3.751 -2.949 4.363 1.00 0.50 N ATOM 771 CA PHE A 47 -4.130 -3.929 3.330 1.00 0.49 C ATOM 772 C PHE A 47 -4.805 -5.068 4.055 1.00 0.46 C ATOM 773 O PHE A 47 -5.480 -5.890 3.472 1.00 0.49 O ATOM 774 CB PHE A 47 -2.890 -4.424 2.597 1.00 0.54 C ATOM 775 CG PHE A 47 -2.474 -3.403 1.558 1.00 0.63 C ATOM 776 CD1 PHE A 47 -2.084 -2.120 1.961 1.00 0.75 C ATOM 777 CD2 PHE A 47 -2.473 -3.736 0.195 1.00 0.71 C ATOM 778 CE1 PHE A 47 -1.698 -1.173 1.007 1.00 0.87 C ATOM 779 CE2 PHE A 47 -2.083 -2.788 -0.757 1.00 0.83 C ATOM 780 CZ PHE A 47 -1.697 -1.506 -0.352 1.00 0.89 C ATOM 781 HA PHE A 47 -4.793 -3.488 2.586 1.00 0.00 H ATOM 782 HB2 PHE A 47 -2.079 -4.567 3.311 1.00 0.00 H ATOM 783 HB3 PHE A 47 -3.112 -5.372 2.107 1.00 0.00 H ATOM 784 HD2 PHE A 47 -2.776 -4.734 -0.122 1.00 0.00 H ATOM 785 HE2 PHE A 47 -2.080 -3.049 -1.815 1.00 0.00 H ATOM 786 HZ PHE A 47 -1.396 -0.767 -1.094 1.00 0.00 H ATOM 787 HE1 PHE A 47 -1.397 -0.174 1.323 1.00 0.00 H ATOM 788 HD1 PHE A 47 -2.081 -1.859 3.019 1.00 0.00 H ATOM 789 H PHE A 47 -2.871 -3.076 4.902 1.00 0.00 H ATOM 790 N ALA A 48 -4.665 -5.077 5.348 1.00 0.42 N ATOM 791 CA ALA A 48 -5.336 -6.120 6.167 1.00 0.40 C ATOM 792 C ALA A 48 -6.814 -5.811 6.167 1.00 0.36 C ATOM 793 O ALA A 48 -7.530 -6.055 7.118 1.00 0.36 O ATOM 794 CB ALA A 48 -4.791 -6.116 7.598 1.00 0.42 C ATOM 795 HA ALA A 48 -5.149 -7.109 5.750 1.00 0.00 H ATOM 796 HB1 ALA A 48 -3.720 -6.317 7.578 1.00 0.00 H ATOM 797 HB2 ALA A 48 -4.971 -5.141 8.051 1.00 0.00 H ATOM 798 HB3 ALA A 48 -5.296 -6.887 8.180 1.00 0.00 H ATOM 799 H ALA A 48 -4.081 -4.351 5.811 1.00 0.00 H ATOM 800 N ASP A 49 -7.261 -5.260 5.086 1.00 0.34 N ATOM 801 CA ASP A 49 -8.687 -4.898 4.964 1.00 0.32 C ATOM 802 C ASP A 49 -8.997 -4.527 3.514 1.00 0.31 C ATOM 803 O ASP A 49 -10.130 -4.562 3.083 1.00 0.31 O ATOM 804 CB ASP A 49 -8.955 -3.712 5.882 1.00 0.32 C ATOM 805 CG ASP A 49 -8.130 -2.504 5.430 1.00 0.33 C ATOM 806 OD1 ASP A 49 -8.188 -2.168 4.261 1.00 0.34 O ATOM 807 OD2 ASP A 49 -7.451 -1.932 6.267 1.00 0.36 O ATOM 808 HA ASP A 49 -9.322 -5.737 5.249 1.00 0.00 H ATOM 809 HB2 ASP A 49 -10.015 -3.460 5.846 1.00 0.00 H ATOM 810 HB3 ASP A 49 -8.680 -3.976 6.903 1.00 0.00 H ATOM 811 H ASP A 49 -6.611 -5.070 4.297 1.00 0.00 H ATOM 812 N GLY A 50 -7.994 -4.176 2.756 1.00 0.32 N ATOM 813 CA GLY A 50 -8.241 -3.803 1.324 1.00 0.33 C ATOM 814 C GLY A 50 -9.257 -2.648 1.248 1.00 0.33 C ATOM 815 O GLY A 50 -9.658 -2.211 0.178 1.00 0.34 O ATOM 816 HA3 GLY A 50 -8.635 -4.667 0.789 1.00 0.00 H ATOM 817 HA2 GLY A 50 -7.303 -3.490 0.865 1.00 0.00 H ATOM 818 H GLY A 50 -7.029 -4.155 3.143 1.00 0.00 H ATOM 819 N VAL A 51 -9.670 -2.150 2.375 1.00 0.33 N ATOM 820 CA VAL A 51 -10.646 -1.025 2.395 1.00 0.36 C ATOM 821 C VAL A 51 -9.950 0.240 1.903 1.00 0.40 C ATOM 822 O VAL A 51 -10.332 0.838 0.916 1.00 0.42 O ATOM 823 CB VAL A 51 -11.089 -0.809 3.838 1.00 0.37 C ATOM 824 CG1 VAL A 51 -11.896 0.487 3.968 1.00 0.43 C ATOM 825 CG2 VAL A 51 -11.949 -1.990 4.298 1.00 0.36 C ATOM 826 HA VAL A 51 -11.502 -1.250 1.759 1.00 0.00 H ATOM 827 HB VAL A 51 -10.200 -0.734 4.464 1.00 0.00 H ATOM 828 HG11 VAL A 51 -11.279 1.330 3.658 1.00 0.00 H ATOM 829 HG12 VAL A 51 -12.780 0.429 3.332 1.00 0.00 H ATOM 830 HG13 VAL A 51 -12.202 0.621 5.006 1.00 0.00 H ATOM 831 HG21 VAL A 51 -12.828 -2.069 3.658 1.00 0.00 H ATOM 832 HG22 VAL A 51 -11.367 -2.909 4.232 1.00 0.00 H ATOM 833 HG23 VAL A 51 -12.262 -1.830 5.330 1.00 0.00 H ATOM 834 H VAL A 51 -9.316 -2.541 3.271 1.00 0.00 H ATOM 835 N TYR A 52 -8.924 0.647 2.596 1.00 0.41 N ATOM 836 CA TYR A 52 -8.189 1.867 2.186 1.00 0.47 C ATOM 837 C TYR A 52 -7.728 1.700 0.742 1.00 0.47 C ATOM 838 O TYR A 52 -7.355 2.648 0.081 1.00 0.51 O ATOM 839 CB TYR A 52 -6.976 2.060 3.097 1.00 0.49 C ATOM 840 CG TYR A 52 -7.449 2.450 4.478 1.00 0.51 C ATOM 841 CD1 TYR A 52 -7.881 3.759 4.723 1.00 0.57 C ATOM 842 CD2 TYR A 52 -7.457 1.505 5.511 1.00 0.48 C ATOM 843 CE1 TYR A 52 -8.321 4.123 6.001 1.00 0.60 C ATOM 844 CE2 TYR A 52 -7.897 1.868 6.789 1.00 0.51 C ATOM 845 CZ TYR A 52 -8.329 3.177 7.034 1.00 0.57 C ATOM 846 OH TYR A 52 -8.763 3.536 8.294 1.00 0.60 O ATOM 847 HA TYR A 52 -8.838 2.739 2.267 1.00 0.00 H ATOM 848 HB3 TYR A 52 -6.338 2.847 2.694 1.00 0.00 H ATOM 849 HB2 TYR A 52 -6.411 1.130 3.154 1.00 0.00 H ATOM 850 HD2 TYR A 52 -7.120 0.486 5.320 1.00 0.00 H ATOM 851 HE2 TYR A 52 -7.903 1.132 7.593 1.00 0.00 H ATOM 852 HE1 TYR A 52 -8.657 5.142 6.192 1.00 0.00 H ATOM 853 HD1 TYR A 52 -7.875 4.495 3.919 1.00 0.00 H ATOM 854 HH TYR A 52 -9.030 4.489 8.291 1.00 0.00 H ATOM 855 H TYR A 52 -8.621 0.116 3.437 1.00 0.00 H ATOM 856 N LEU A 53 -7.748 0.493 0.248 1.00 0.43 N ATOM 857 CA LEU A 53 -7.294 0.265 -1.162 1.00 0.44 C ATOM 858 C LEU A 53 -8.358 0.776 -2.148 1.00 0.45 C ATOM 859 O LEU A 53 -8.103 1.667 -2.948 1.00 0.50 O ATOM 860 CB LEU A 53 -7.027 -1.242 -1.395 1.00 0.41 C ATOM 861 CG LEU A 53 -5.522 -1.566 -1.240 1.00 0.44 C ATOM 862 CD1 LEU A 53 -5.324 -3.070 -0.926 1.00 0.44 C ATOM 863 CD2 LEU A 53 -4.773 -1.200 -2.535 1.00 0.46 C ATOM 864 HA LEU A 53 -6.368 0.816 -1.330 1.00 0.00 H ATOM 865 HB2 LEU A 53 -7.594 -1.822 -0.667 1.00 0.00 H ATOM 866 HB3 LEU A 53 -7.348 -1.510 -2.401 1.00 0.00 H ATOM 867 HG LEU A 53 -5.121 -0.980 -0.413 1.00 0.00 H ATOM 868 HD21 LEU A 53 -5.182 -1.776 -3.365 1.00 0.00 H ATOM 869 HD22 LEU A 53 -4.894 -0.135 -2.735 1.00 0.00 H ATOM 870 HD23 LEU A 53 -3.714 -1.431 -2.418 1.00 0.00 H ATOM 871 HD11 LEU A 53 -5.839 -3.317 0.003 1.00 0.00 H ATOM 872 HD12 LEU A 53 -5.735 -3.667 -1.740 1.00 0.00 H ATOM 873 HD13 LEU A 53 -4.260 -3.281 -0.820 1.00 0.00 H ATOM 874 H LEU A 53 -8.077 -0.305 0.828 1.00 0.00 H ATOM 875 N VAL A 54 -9.549 0.237 -2.127 1.00 0.43 N ATOM 876 CA VAL A 54 -10.555 0.747 -3.097 1.00 0.46 C ATOM 877 C VAL A 54 -10.697 2.259 -2.898 1.00 0.51 C ATOM 878 O VAL A 54 -11.024 2.995 -3.815 1.00 0.55 O ATOM 879 CB VAL A 54 -11.906 0.056 -2.885 1.00 0.44 C ATOM 880 CG1 VAL A 54 -12.746 0.167 -4.163 1.00 0.49 C ATOM 881 CG2 VAL A 54 -11.676 -1.421 -2.551 1.00 0.41 C ATOM 882 HA VAL A 54 -10.226 0.533 -4.114 1.00 0.00 H ATOM 883 HB VAL A 54 -12.434 0.537 -2.062 1.00 0.00 H ATOM 884 HG11 VAL A 54 -12.909 1.219 -4.399 1.00 0.00 H ATOM 885 HG12 VAL A 54 -12.218 -0.314 -4.986 1.00 0.00 H ATOM 886 HG13 VAL A 54 -13.706 -0.325 -4.009 1.00 0.00 H ATOM 887 HG21 VAL A 54 -11.147 -1.900 -3.375 1.00 0.00 H ATOM 888 HG22 VAL A 54 -11.081 -1.498 -1.641 1.00 0.00 H ATOM 889 HG23 VAL A 54 -12.637 -1.912 -2.400 1.00 0.00 H ATOM 890 H VAL A 54 -9.785 -0.522 -1.456 1.00 0.00 H ATOM 891 N LEU A 55 -10.430 2.737 -1.710 1.00 0.52 N ATOM 892 CA LEU A 55 -10.533 4.200 -1.474 1.00 0.58 C ATOM 893 C LEU A 55 -9.500 4.889 -2.362 1.00 0.62 C ATOM 894 O LEU A 55 -9.795 5.857 -3.011 1.00 0.66 O ATOM 895 CB LEU A 55 -10.267 4.518 0.009 1.00 0.59 C ATOM 896 CG LEU A 55 -11.589 4.497 0.810 1.00 0.60 C ATOM 897 CD1 LEU A 55 -11.302 4.194 2.286 1.00 0.58 C ATOM 898 CD2 LEU A 55 -12.286 5.862 0.701 1.00 0.67 C ATOM 899 HA LEU A 55 -11.534 4.556 -1.716 1.00 0.00 H ATOM 900 HB2 LEU A 55 -9.586 3.773 0.420 1.00 0.00 H ATOM 901 HB3 LEU A 55 -9.814 5.506 0.089 1.00 0.00 H ATOM 902 HG LEU A 55 -12.237 3.722 0.400 1.00 0.00 H ATOM 903 HD21 LEU A 55 -11.632 6.636 1.104 1.00 0.00 H ATOM 904 HD22 LEU A 55 -12.502 6.076 -0.346 1.00 0.00 H ATOM 905 HD23 LEU A 55 -13.217 5.840 1.268 1.00 0.00 H ATOM 906 HD11 LEU A 55 -10.816 3.222 2.368 1.00 0.00 H ATOM 907 HD12 LEU A 55 -10.647 4.964 2.693 1.00 0.00 H ATOM 908 HD13 LEU A 55 -12.239 4.181 2.842 1.00 0.00 H ATOM 909 H LEU A 55 -10.148 2.099 -0.938 1.00 0.00 H ATOM 910 N LEU A 56 -8.297 4.382 -2.422 1.00 0.62 N ATOM 911 CA LEU A 56 -7.275 5.014 -3.308 1.00 0.66 C ATOM 912 C LEU A 56 -7.895 5.184 -4.684 1.00 0.67 C ATOM 913 O LEU A 56 -7.982 6.274 -5.205 1.00 0.72 O ATOM 914 CB LEU A 56 -6.020 4.109 -3.365 1.00 0.65 C ATOM 915 CG LEU A 56 -5.180 4.357 -4.633 1.00 0.69 C ATOM 916 CD1 LEU A 56 -4.764 5.827 -4.717 1.00 0.72 C ATOM 917 CD2 LEU A 56 -3.922 3.487 -4.572 1.00 0.66 C ATOM 918 HA LEU A 56 -6.968 5.988 -2.928 1.00 0.00 H ATOM 919 HB2 LEU A 56 -5.402 4.310 -2.490 1.00 0.00 H ATOM 920 HB3 LEU A 56 -6.338 3.066 -3.353 1.00 0.00 H ATOM 921 HG LEU A 56 -5.776 4.106 -5.510 1.00 0.00 H ATOM 922 HD21 LEU A 56 -3.342 3.751 -3.688 1.00 0.00 H ATOM 923 HD22 LEU A 56 -4.210 2.437 -4.520 1.00 0.00 H ATOM 924 HD23 LEU A 56 -3.321 3.656 -5.466 1.00 0.00 H ATOM 925 HD11 LEU A 56 -5.655 6.454 -4.752 1.00 0.00 H ATOM 926 HD12 LEU A 56 -4.170 6.086 -3.840 1.00 0.00 H ATOM 927 HD13 LEU A 56 -4.172 5.985 -5.618 1.00 0.00 H ATOM 928 H LEU A 56 -8.053 3.544 -1.856 1.00 0.00 H ATOM 929 N MET A 57 -8.337 4.116 -5.260 1.00 0.62 N ATOM 930 CA MET A 57 -8.959 4.200 -6.614 1.00 0.63 C ATOM 931 C MET A 57 -9.902 5.413 -6.726 1.00 0.68 C ATOM 932 O MET A 57 -9.898 6.122 -7.716 1.00 0.72 O ATOM 933 CB MET A 57 -9.756 2.921 -6.878 1.00 0.58 C ATOM 934 CG MET A 57 -8.840 1.707 -6.722 1.00 0.55 C ATOM 935 SD MET A 57 -9.794 0.193 -6.995 1.00 0.60 S ATOM 936 CE MET A 57 -8.527 -0.976 -6.445 1.00 0.57 C ATOM 937 HA MET A 57 -8.163 4.317 -7.350 1.00 0.00 H ATOM 938 HB2 MET A 57 -10.577 2.851 -6.165 1.00 0.00 H ATOM 939 HB3 MET A 57 -10.158 2.946 -7.891 1.00 0.00 H ATOM 940 HG2 MET A 57 -8.419 1.696 -5.717 1.00 0.00 H ATOM 941 HG3 MET A 57 -8.032 1.765 -7.452 1.00 0.00 H ATOM 942 HE1 MET A 57 -7.639 -0.868 -7.068 1.00 0.00 H ATOM 943 HE2 MET A 57 -8.270 -0.770 -5.406 1.00 0.00 H ATOM 944 HE3 MET A 57 -8.911 -1.993 -6.531 1.00 0.00 H ATOM 945 H MET A 57 -8.259 3.197 -4.780 1.00 0.00 H ATOM 946 N GLY A 58 -10.738 5.639 -5.746 1.00 0.67 N ATOM 947 CA GLY A 58 -11.710 6.778 -5.844 1.00 0.73 C ATOM 948 C GLY A 58 -11.094 8.143 -5.518 1.00 0.79 C ATOM 949 O GLY A 58 -11.204 9.076 -6.289 1.00 0.84 O ATOM 950 HA3 GLY A 58 -12.528 6.594 -5.147 1.00 0.00 H ATOM 951 HA2 GLY A 58 -12.101 6.811 -6.861 1.00 0.00 H ATOM 952 H GLY A 58 -10.729 5.032 -4.902 1.00 0.00 H ATOM 953 N LEU A 59 -10.483 8.286 -4.387 1.00 0.79 N ATOM 954 CA LEU A 59 -9.906 9.608 -4.019 1.00 0.86 C ATOM 955 C LEU A 59 -8.920 10.028 -5.094 1.00 0.88 C ATOM 956 O LEU A 59 -8.568 11.184 -5.223 1.00 0.94 O ATOM 957 CB LEU A 59 -9.259 9.539 -2.620 1.00 0.86 C ATOM 958 CG LEU A 59 -10.254 8.887 -1.606 1.00 0.82 C ATOM 959 CD1 LEU A 59 -9.879 9.249 -0.156 1.00 0.82 C ATOM 960 CD2 LEU A 59 -11.700 9.370 -1.853 1.00 0.87 C ATOM 961 HA LEU A 59 -10.690 10.363 -3.963 1.00 0.00 H ATOM 962 HB2 LEU A 59 -8.350 8.940 -2.671 1.00 0.00 H ATOM 963 HB3 LEU A 59 -9.010 10.546 -2.286 1.00 0.00 H ATOM 964 HG LEU A 59 -10.191 7.809 -1.754 1.00 0.00 H ATOM 965 HD21 LEU A 59 -11.745 10.453 -1.737 1.00 0.00 H ATOM 966 HD22 LEU A 59 -12.005 9.098 -2.864 1.00 0.00 H ATOM 967 HD23 LEU A 59 -12.367 8.898 -1.132 1.00 0.00 H ATOM 968 HD11 LEU A 59 -8.873 8.888 0.059 1.00 0.00 H ATOM 969 HD12 LEU A 59 -9.912 10.332 -0.033 1.00 0.00 H ATOM 970 HD13 LEU A 59 -10.587 8.782 0.528 1.00 0.00 H ATOM 971 H LEU A 59 -10.395 7.479 -3.736 1.00 0.00 H ATOM 972 N LEU A 60 -8.515 9.099 -5.898 1.00 0.84 N ATOM 973 CA LEU A 60 -7.594 9.428 -7.018 1.00 0.87 C ATOM 974 C LEU A 60 -8.450 10.020 -8.139 1.00 0.91 C ATOM 975 O LEU A 60 -8.231 11.127 -8.591 1.00 0.96 O ATOM 976 CB LEU A 60 -6.894 8.148 -7.508 1.00 0.82 C ATOM 977 CG LEU A 60 -5.588 8.481 -8.256 1.00 0.87 C ATOM 978 CD1 LEU A 60 -5.837 9.559 -9.316 1.00 0.83 C ATOM 979 CD2 LEU A 60 -4.506 8.967 -7.272 1.00 0.91 C ATOM 980 HA LEU A 60 -6.826 10.134 -6.702 1.00 0.00 H ATOM 981 HB2 LEU A 60 -6.662 7.518 -6.649 1.00 0.00 H ATOM 982 HB3 LEU A 60 -7.563 7.611 -8.181 1.00 0.00 H ATOM 983 HG LEU A 60 -5.239 7.572 -8.745 1.00 0.00 H ATOM 984 HD21 LEU A 60 -4.858 9.863 -6.760 1.00 0.00 H ATOM 985 HD22 LEU A 60 -4.304 8.185 -6.540 1.00 0.00 H ATOM 986 HD23 LEU A 60 -3.593 9.196 -7.822 1.00 0.00 H ATOM 987 HD11 LEU A 60 -6.574 9.198 -10.033 1.00 0.00 H ATOM 988 HD12 LEU A 60 -6.210 10.462 -8.833 1.00 0.00 H ATOM 989 HD13 LEU A 60 -4.904 9.781 -9.833 1.00 0.00 H ATOM 990 H LEU A 60 -8.835 8.119 -5.761 1.00 0.00 H ATOM 991 N GLU A 61 -9.440 9.289 -8.576 1.00 0.87 N ATOM 992 CA GLU A 61 -10.327 9.804 -9.654 1.00 0.91 C ATOM 993 C GLU A 61 -11.189 10.941 -9.098 1.00 0.96 C ATOM 994 O GLU A 61 -11.679 11.776 -9.834 1.00 1.00 O ATOM 995 CB GLU A 61 -11.230 8.676 -10.157 1.00 0.86 C ATOM 996 CG GLU A 61 -10.367 7.504 -10.628 1.00 0.82 C ATOM 997 CD GLU A 61 -11.269 6.339 -11.039 1.00 0.77 C ATOM 998 OE1 GLU A 61 -12.430 6.586 -11.321 1.00 0.77 O ATOM 999 OE2 GLU A 61 -10.784 5.220 -11.065 1.00 0.74 O ATOM 1000 HA GLU A 61 -9.721 10.175 -10.480 1.00 0.00 H ATOM 1001 HB2 GLU A 61 -11.883 8.345 -9.349 1.00 0.00 H ATOM 1002 HB3 GLU A 61 -11.836 9.038 -10.987 1.00 0.00 H ATOM 1003 HG2 GLU A 61 -9.765 7.816 -11.481 1.00 0.00 H ATOM 1004 HG3 GLU A 61 -9.710 7.187 -9.818 1.00 0.00 H ATOM 1005 H GLU A 61 -9.609 8.346 -8.170 1.00 0.00 H ATOM 1006 N GLY A 62 -11.378 10.985 -7.803 1.00 0.95 N ATOM 1007 CA GLY A 62 -12.207 12.071 -7.204 1.00 1.01 C ATOM 1008 C GLY A 62 -13.681 11.678 -7.254 1.00 1.00 C ATOM 1009 O GLY A 62 -14.435 12.151 -8.082 1.00 1.03 O ATOM 1010 HA3 GLY A 62 -12.058 12.993 -7.766 1.00 0.00 H ATOM 1011 HA2 GLY A 62 -11.908 12.226 -6.167 1.00 0.00 H ATOM 1012 H GLY A 62 -10.949 10.262 -7.191 1.00 0.00 H ATOM 1013 N TYR A 63 -14.097 10.818 -6.370 1.00 0.96 N ATOM 1014 CA TYR A 63 -15.527 10.387 -6.354 1.00 0.95 C ATOM 1015 C TYR A 63 -15.905 9.923 -4.945 1.00 0.93 C ATOM 1016 O TYR A 63 -15.064 9.790 -4.078 1.00 0.89 O ATOM 1017 CB TYR A 63 -15.727 9.237 -7.343 1.00 0.91 C ATOM 1018 CG TYR A 63 -17.206 9.001 -7.547 1.00 0.95 C ATOM 1019 CD1 TYR A 63 -17.961 9.911 -8.297 1.00 0.99 C ATOM 1020 CD2 TYR A 63 -17.822 7.874 -6.988 1.00 0.94 C ATOM 1021 CE1 TYR A 63 -19.331 9.695 -8.487 1.00 1.03 C ATOM 1022 CE2 TYR A 63 -19.192 7.659 -7.178 1.00 0.98 C ATOM 1023 CZ TYR A 63 -19.947 8.569 -7.928 1.00 1.02 C ATOM 1024 OH TYR A 63 -21.297 8.356 -8.116 1.00 1.06 O ATOM 1025 HA TYR A 63 -16.161 11.225 -6.642 1.00 0.00 H ATOM 1026 HB3 TYR A 63 -15.265 8.332 -6.947 1.00 0.00 H ATOM 1027 HB2 TYR A 63 -15.264 9.492 -8.296 1.00 0.00 H ATOM 1028 HD2 TYR A 63 -17.235 7.165 -6.405 1.00 0.00 H ATOM 1029 HE2 TYR A 63 -19.671 6.783 -6.742 1.00 0.00 H ATOM 1030 HE1 TYR A 63 -19.918 10.404 -9.071 1.00 0.00 H ATOM 1031 HD1 TYR A 63 -17.482 10.788 -8.733 1.00 0.00 H ATOM 1032 HH TYR A 63 -21.672 9.089 -8.665 1.00 0.00 H ATOM 1033 H TYR A 63 -13.431 10.429 -5.672 1.00 0.00 H ATOM 1034 N PHE A 64 -17.167 9.679 -4.709 1.00 0.95 N ATOM 1035 CA PHE A 64 -17.607 9.227 -3.355 1.00 0.93 C ATOM 1036 C PHE A 64 -17.507 7.703 -3.259 1.00 0.86 C ATOM 1037 O PHE A 64 -18.309 6.984 -3.821 1.00 0.83 O ATOM 1038 CB PHE A 64 -19.058 9.654 -3.126 1.00 0.98 C ATOM 1039 CG PHE A 64 -19.120 11.154 -2.952 1.00 1.01 C ATOM 1040 CD1 PHE A 64 -19.081 11.990 -4.075 1.00 0.98 C ATOM 1041 CD2 PHE A 64 -19.218 11.708 -1.670 1.00 1.07 C ATOM 1042 CE1 PHE A 64 -19.139 13.379 -3.915 1.00 1.01 C ATOM 1043 CE2 PHE A 64 -19.276 13.098 -1.511 1.00 1.10 C ATOM 1044 CZ PHE A 64 -19.237 13.933 -2.633 1.00 1.07 C ATOM 1045 HA PHE A 64 -16.965 9.679 -2.598 1.00 0.00 H ATOM 1046 HB2 PHE A 64 -19.663 9.362 -3.985 1.00 0.00 H ATOM 1047 HB3 PHE A 64 -19.443 9.168 -2.230 1.00 0.00 H ATOM 1048 HD2 PHE A 64 -19.249 11.058 -0.796 1.00 0.00 H ATOM 1049 HE2 PHE A 64 -19.352 13.530 -0.513 1.00 0.00 H ATOM 1050 HZ PHE A 64 -19.283 15.015 -2.509 1.00 0.00 H ATOM 1051 HE1 PHE A 64 -19.108 14.030 -4.789 1.00 0.00 H ATOM 1052 HD1 PHE A 64 -19.005 11.559 -5.073 1.00 0.00 H ATOM 1053 H PHE A 64 -17.868 9.800 -5.467 1.00 0.00 H ATOM 1054 N VAL A 65 -16.523 7.209 -2.548 1.00 0.83 N ATOM 1055 CA VAL A 65 -16.343 5.734 -2.394 1.00 0.76 C ATOM 1056 C VAL A 65 -16.545 5.359 -0.907 1.00 0.76 C ATOM 1057 O VAL A 65 -15.597 5.399 -0.149 1.00 0.75 O ATOM 1058 CB VAL A 65 -14.901 5.376 -2.812 1.00 0.71 C ATOM 1059 CG1 VAL A 65 -14.835 5.101 -4.320 1.00 0.67 C ATOM 1060 CG2 VAL A 65 -13.966 6.541 -2.475 1.00 0.76 C ATOM 1061 HA VAL A 65 -17.061 5.195 -3.012 1.00 0.00 H ATOM 1062 HB VAL A 65 -14.592 4.481 -2.271 1.00 0.00 H ATOM 1063 HG11 VAL A 65 -15.494 4.268 -4.565 1.00 0.00 H ATOM 1064 HG12 VAL A 65 -15.153 5.990 -4.864 1.00 0.00 H ATOM 1065 HG13 VAL A 65 -13.811 4.850 -4.598 1.00 0.00 H ATOM 1066 HG21 VAL A 65 -14.290 7.432 -3.013 1.00 0.00 H ATOM 1067 HG22 VAL A 65 -13.997 6.731 -1.402 1.00 0.00 H ATOM 1068 HG23 VAL A 65 -12.948 6.286 -2.771 1.00 0.00 H ATOM 1069 H VAL A 65 -15.855 7.856 -2.082 1.00 0.00 H ATOM 1070 N PRO A 66 -17.758 5.006 -0.513 1.00 0.78 N ATOM 1071 CA PRO A 66 -18.020 4.637 0.893 1.00 0.79 C ATOM 1072 C PRO A 66 -17.132 3.450 1.296 1.00 0.72 C ATOM 1073 O PRO A 66 -16.728 2.657 0.470 1.00 0.67 O ATOM 1074 CB PRO A 66 -19.524 4.278 0.938 1.00 0.81 C ATOM 1075 CG PRO A 66 -20.123 4.616 -0.458 1.00 0.82 C ATOM 1076 CD PRO A 66 -18.943 4.950 -1.398 1.00 0.79 C ATOM 1077 HA PRO A 66 -17.790 5.439 1.595 1.00 0.00 H ATOM 1078 HD3 PRO A 66 -18.822 4.174 -2.153 1.00 0.00 H ATOM 1079 HD2 PRO A 66 -19.102 5.910 -1.888 1.00 0.00 H ATOM 1080 HG3 PRO A 66 -20.791 5.473 -0.379 1.00 0.00 H ATOM 1081 HG2 PRO A 66 -20.676 3.760 -0.844 1.00 0.00 H ATOM 1082 HB2 PRO A 66 -19.648 3.216 1.150 1.00 0.00 H ATOM 1083 HB3 PRO A 66 -20.024 4.862 1.710 1.00 0.00 H ATOM 1084 N LEU A 67 -16.820 3.333 2.557 1.00 0.73 N ATOM 1085 CA LEU A 67 -15.952 2.216 3.016 1.00 0.68 C ATOM 1086 C LEU A 67 -16.678 0.878 2.840 1.00 0.65 C ATOM 1087 O LEU A 67 -16.063 -0.170 2.850 1.00 0.60 O ATOM 1088 CB LEU A 67 -15.616 2.429 4.496 1.00 0.72 C ATOM 1089 CG LEU A 67 -14.509 3.479 4.634 1.00 0.74 C ATOM 1090 CD1 LEU A 67 -14.956 4.790 3.978 1.00 0.85 C ATOM 1091 CD2 LEU A 67 -14.225 3.721 6.119 1.00 0.77 C ATOM 1092 HA LEU A 67 -15.037 2.198 2.424 1.00 0.00 H ATOM 1093 HB2 LEU A 67 -16.507 2.771 5.023 1.00 0.00 H ATOM 1094 HB3 LEU A 67 -15.278 1.488 4.929 1.00 0.00 H ATOM 1095 HG LEU A 67 -13.605 3.121 4.141 1.00 0.00 H ATOM 1096 HD21 LEU A 67 -15.131 4.079 6.607 1.00 0.00 H ATOM 1097 HD22 LEU A 67 -13.905 2.788 6.583 1.00 0.00 H ATOM 1098 HD23 LEU A 67 -13.438 4.468 6.220 1.00 0.00 H ATOM 1099 HD11 LEU A 67 -15.159 4.615 2.922 1.00 0.00 H ATOM 1100 HD12 LEU A 67 -15.860 5.151 4.469 1.00 0.00 H ATOM 1101 HD13 LEU A 67 -14.165 5.533 4.079 1.00 0.00 H ATOM 1102 H LEU A 67 -17.180 4.025 3.245 1.00 0.00 H ATOM 1103 N HIS A 68 -17.980 0.904 2.687 1.00 0.69 N ATOM 1104 CA HIS A 68 -18.759 -0.368 2.518 1.00 0.68 C ATOM 1105 C HIS A 68 -19.480 -0.359 1.173 1.00 0.68 C ATOM 1106 O HIS A 68 -20.656 -0.653 1.087 1.00 0.72 O ATOM 1107 CB HIS A 68 -19.788 -0.484 3.646 1.00 0.75 C ATOM 1108 CG HIS A 68 -20.783 0.639 3.538 1.00 0.81 C ATOM 1109 ND1 HIS A 68 -20.439 1.959 3.784 1.00 0.87 N ATOM 1110 CD2 HIS A 68 -22.118 0.654 3.214 1.00 0.84 C ATOM 1111 CE1 HIS A 68 -21.543 2.706 3.605 1.00 0.91 C ATOM 1112 NE2 HIS A 68 -22.595 1.960 3.257 1.00 0.90 N ATOM 1113 HA HIS A 68 -18.076 -1.217 2.553 1.00 0.00 H ATOM 1114 HB2 HIS A 68 -20.308 -1.439 3.567 1.00 0.00 H ATOM 1115 HB3 HIS A 68 -19.280 -0.428 4.609 1.00 0.00 H ATOM 1116 HD2 HIS A 68 -22.713 -0.224 2.962 1.00 0.00 H ATOM 1117 HE1 HIS A 68 -21.575 3.788 3.729 1.00 0.00 H ATOM 1118 H HIS A 68 -18.479 1.817 2.683 1.00 0.00 H ATOM 1119 N SER A 69 -18.776 -0.032 0.119 1.00 0.66 N ATOM 1120 CA SER A 69 -19.393 -0.008 -1.243 1.00 0.67 C ATOM 1121 C SER A 69 -18.737 -1.088 -2.090 1.00 0.61 C ATOM 1122 O SER A 69 -19.323 -1.641 -2.999 1.00 0.63 O ATOM 1123 CB SER A 69 -19.154 1.369 -1.871 1.00 0.69 C ATOM 1124 OG SER A 69 -20.306 1.755 -2.610 1.00 0.69 O ATOM 1125 HA SER A 69 -20.465 -0.193 -1.183 1.00 0.00 H ATOM 1126 HB2 SER A 69 -18.293 1.321 -2.537 1.00 0.00 H ATOM 1127 HB3 SER A 69 -18.963 2.100 -1.085 1.00 0.00 H ATOM 1128 HG SER A 69 -20.153 2.645 -3.016 1.00 0.00 H ATOM 1129 H SER A 69 -17.772 0.215 0.231 1.00 0.00 H ATOM 1130 N PHE A 70 -17.515 -1.376 -1.784 1.00 0.56 N ATOM 1131 CA PHE A 70 -16.767 -2.417 -2.550 1.00 0.51 C ATOM 1132 C PHE A 70 -17.175 -3.800 -2.000 1.00 0.50 C ATOM 1133 O PHE A 70 -18.343 -4.053 -1.783 1.00 0.56 O ATOM 1134 CB PHE A 70 -15.226 -2.168 -2.451 1.00 0.48 C ATOM 1135 CG PHE A 70 -14.930 -0.887 -1.693 1.00 0.49 C ATOM 1136 CD1 PHE A 70 -15.544 0.314 -2.068 1.00 0.52 C ATOM 1137 CD2 PHE A 70 -14.039 -0.907 -0.610 1.00 0.49 C ATOM 1138 CE1 PHE A 70 -15.270 1.492 -1.365 1.00 0.55 C ATOM 1139 CE2 PHE A 70 -13.768 0.272 0.095 1.00 0.51 C ATOM 1140 CZ PHE A 70 -14.383 1.471 -0.282 1.00 0.54 C ATOM 1141 HA PHE A 70 -17.017 -2.372 -3.610 1.00 0.00 H ATOM 1142 HB2 PHE A 70 -14.762 -3.006 -1.931 1.00 0.00 H ATOM 1143 HB3 PHE A 70 -14.812 -2.092 -3.456 1.00 0.00 H ATOM 1144 HD2 PHE A 70 -13.558 -1.840 -0.317 1.00 0.00 H ATOM 1145 HE2 PHE A 70 -13.077 0.256 0.938 1.00 0.00 H ATOM 1146 HZ PHE A 70 -14.172 2.388 0.267 1.00 0.00 H ATOM 1147 HE1 PHE A 70 -15.747 2.426 -1.660 1.00 0.00 H ATOM 1148 HD1 PHE A 70 -16.237 0.331 -2.909 1.00 0.00 H ATOM 1149 H PHE A 70 -17.049 -0.879 -0.998 1.00 0.00 H ATOM 1150 N PHE A 71 -16.253 -4.696 -1.770 1.00 0.45 N ATOM 1151 CA PHE A 71 -16.646 -6.031 -1.238 1.00 0.45 C ATOM 1152 C PHE A 71 -17.190 -5.864 0.182 1.00 0.50 C ATOM 1153 O PHE A 71 -17.072 -4.813 0.780 1.00 0.51 O ATOM 1154 CB PHE A 71 -15.428 -6.959 -1.216 1.00 0.41 C ATOM 1155 CG PHE A 71 -15.885 -8.390 -1.049 1.00 0.40 C ATOM 1156 CD1 PHE A 71 -16.285 -9.132 -2.166 1.00 0.41 C ATOM 1157 CD2 PHE A 71 -15.909 -8.973 0.224 1.00 0.43 C ATOM 1158 CE1 PHE A 71 -16.710 -10.457 -2.012 1.00 0.44 C ATOM 1159 CE2 PHE A 71 -16.334 -10.298 0.379 1.00 0.46 C ATOM 1160 CZ PHE A 71 -16.734 -11.040 -0.739 1.00 0.46 C ATOM 1161 HA PHE A 71 -17.414 -6.467 -1.877 1.00 0.00 H ATOM 1162 HB2 PHE A 71 -14.879 -6.860 -2.152 1.00 0.00 H ATOM 1163 HB3 PHE A 71 -14.778 -6.686 -0.385 1.00 0.00 H ATOM 1164 HD2 PHE A 71 -15.597 -8.395 1.094 1.00 0.00 H ATOM 1165 HE2 PHE A 71 -16.353 -10.752 1.370 1.00 0.00 H ATOM 1166 HZ PHE A 71 -17.064 -12.072 -0.618 1.00 0.00 H ATOM 1167 HE1 PHE A 71 -17.022 -11.034 -2.882 1.00 0.00 H ATOM 1168 HD1 PHE A 71 -16.266 -8.678 -3.157 1.00 0.00 H ATOM 1169 H PHE A 71 -15.253 -4.479 -1.957 1.00 0.00 H ATOM 1170 N LEU A 72 -17.787 -6.887 0.726 1.00 0.54 N ATOM 1171 CA LEU A 72 -18.337 -6.773 2.106 1.00 0.59 C ATOM 1172 C LEU A 72 -17.233 -6.316 3.058 1.00 0.57 C ATOM 1173 O LEU A 72 -16.131 -6.009 2.647 1.00 0.59 O ATOM 1174 CB LEU A 72 -18.879 -8.132 2.564 1.00 0.64 C ATOM 1175 CG LEU A 72 -19.683 -8.781 1.433 1.00 0.66 C ATOM 1176 CD1 LEU A 72 -20.367 -10.046 1.956 1.00 0.72 C ATOM 1177 CD2 LEU A 72 -20.746 -7.800 0.928 1.00 0.71 C ATOM 1178 HA LEU A 72 -19.148 -6.044 2.111 1.00 0.00 H ATOM 1179 HB2 LEU A 72 -18.046 -8.781 2.834 1.00 0.00 H ATOM 1180 HB3 LEU A 72 -19.524 -7.991 3.431 1.00 0.00 H ATOM 1181 HG LEU A 72 -19.011 -9.040 0.615 1.00 0.00 H ATOM 1182 HD21 LEU A 72 -21.417 -7.540 1.747 1.00 0.00 H ATOM 1183 HD22 LEU A 72 -20.259 -6.899 0.556 1.00 0.00 H ATOM 1184 HD23 LEU A 72 -21.315 -8.266 0.124 1.00 0.00 H ATOM 1185 HD11 LEU A 72 -19.611 -10.745 2.313 1.00 0.00 H ATOM 1186 HD12 LEU A 72 -21.037 -9.783 2.775 1.00 0.00 H ATOM 1187 HD13 LEU A 72 -20.939 -10.508 1.151 1.00 0.00 H ATOM 1188 H LEU A 72 -17.879 -7.779 0.199 1.00 0.00 H ATOM 1189 N THR A 73 -17.520 -6.267 4.331 1.00 0.53 N ATOM 1190 CA THR A 73 -16.489 -5.826 5.315 1.00 0.52 C ATOM 1191 C THR A 73 -15.646 -7.050 5.745 1.00 0.44 C ATOM 1192 O THR A 73 -16.216 -8.068 6.084 1.00 0.43 O ATOM 1193 CB THR A 73 -17.191 -5.246 6.550 1.00 0.59 C ATOM 1194 OG1 THR A 73 -16.314 -5.317 7.666 1.00 0.59 O ATOM 1195 CG2 THR A 73 -18.464 -6.043 6.848 1.00 0.61 C ATOM 1196 HA THR A 73 -15.846 -5.071 4.864 1.00 0.00 H ATOM 1197 HB THR A 73 -17.458 -4.207 6.358 1.00 0.00 H ATOM 1198 HG1 THR A 73 -16.073 -6.262 7.835 1.00 0.00 H ATOM 1199 HG23 THR A 73 -19.135 -5.987 5.991 1.00 0.00 H ATOM 1200 HG21 THR A 73 -18.203 -7.084 7.040 1.00 0.00 H ATOM 1201 HG22 THR A 73 -18.957 -5.623 7.725 1.00 0.00 H ATOM 1202 H THR A 73 -18.469 -6.536 4.660 1.00 0.00 H ATOM 1203 N PRO A 74 -14.321 -6.949 5.741 1.00 0.42 N ATOM 1204 CA PRO A 74 -13.480 -8.090 6.155 1.00 0.35 C ATOM 1205 C PRO A 74 -13.825 -8.488 7.595 1.00 0.35 C ATOM 1206 O PRO A 74 -13.758 -7.682 8.502 1.00 0.40 O ATOM 1207 CB PRO A 74 -12.023 -7.582 6.042 1.00 0.37 C ATOM 1208 CG PRO A 74 -12.080 -6.101 5.567 1.00 0.45 C ATOM 1209 CD PRO A 74 -13.565 -5.740 5.340 1.00 0.47 C ATOM 1210 HA PRO A 74 -13.635 -8.976 5.539 1.00 0.00 H ATOM 1211 HD3 PRO A 74 -13.851 -4.888 5.956 1.00 0.00 H ATOM 1212 HD2 PRO A 74 -13.746 -5.505 4.291 1.00 0.00 H ATOM 1213 HG3 PRO A 74 -11.523 -5.987 4.637 1.00 0.00 H ATOM 1214 HG2 PRO A 74 -11.651 -5.449 6.328 1.00 0.00 H ATOM 1215 HB2 PRO A 74 -11.531 -7.643 7.013 1.00 0.00 H ATOM 1216 HB3 PRO A 74 -11.473 -8.184 5.319 1.00 0.00 H ATOM 1217 N ASP A 75 -14.191 -9.727 7.806 1.00 0.34 N ATOM 1218 CA ASP A 75 -14.543 -10.197 9.183 1.00 0.38 C ATOM 1219 C ASP A 75 -13.409 -11.076 9.706 1.00 0.36 C ATOM 1220 O ASP A 75 -12.965 -10.936 10.828 1.00 0.36 O ATOM 1221 CB ASP A 75 -15.854 -11.010 9.114 1.00 0.46 C ATOM 1222 CG ASP A 75 -16.724 -10.734 10.347 1.00 0.82 C ATOM 1223 OD1 ASP A 75 -16.339 -11.155 11.426 1.00 1.34 O ATOM 1224 OD2 ASP A 75 -17.758 -10.107 10.190 1.00 0.82 O ATOM 1225 HA ASP A 75 -14.682 -9.348 9.853 1.00 0.00 H ATOM 1226 HB2 ASP A 75 -16.404 -10.728 8.216 1.00 0.00 H ATOM 1227 HB3 ASP A 75 -15.615 -12.073 9.074 1.00 0.00 H ATOM 1228 H ASP A 75 -14.238 -10.392 7.008 1.00 0.00 H ATOM 1229 N SER A 76 -12.947 -11.983 8.887 1.00 0.38 N ATOM 1230 CA SER A 76 -11.840 -12.899 9.296 1.00 0.41 C ATOM 1231 C SER A 76 -10.670 -12.752 8.325 1.00 0.39 C ATOM 1232 O SER A 76 -10.633 -11.862 7.499 1.00 0.37 O ATOM 1233 CB SER A 76 -12.343 -14.344 9.286 1.00 0.51 C ATOM 1234 OG SER A 76 -13.174 -14.550 8.154 1.00 0.54 O ATOM 1235 HA SER A 76 -11.507 -12.641 10.301 1.00 0.00 H ATOM 1236 HB2 SER A 76 -12.913 -14.537 10.195 1.00 0.00 H ATOM 1237 HB3 SER A 76 -11.493 -15.024 9.241 1.00 0.00 H ATOM 1238 HG SER A 76 -13.946 -13.932 8.196 1.00 0.00 H ATOM 1239 H SER A 76 -13.357 -12.069 7.935 1.00 0.00 H ATOM 1240 N PHE A 77 -9.707 -13.613 8.444 1.00 0.42 N ATOM 1241 CA PHE A 77 -8.509 -13.544 7.567 1.00 0.44 C ATOM 1242 C PHE A 77 -8.881 -13.776 6.127 1.00 0.48 C ATOM 1243 O PHE A 77 -8.646 -12.957 5.287 1.00 0.49 O ATOM 1244 CB PHE A 77 -7.529 -14.632 8.007 1.00 0.50 C ATOM 1245 CG PHE A 77 -6.332 -14.709 7.072 1.00 0.59 C ATOM 1246 CD1 PHE A 77 -5.569 -13.565 6.792 1.00 0.63 C ATOM 1247 CD2 PHE A 77 -5.975 -15.940 6.500 1.00 0.74 C ATOM 1248 CE1 PHE A 77 -4.453 -13.655 5.942 1.00 0.80 C ATOM 1249 CE2 PHE A 77 -4.866 -16.025 5.651 1.00 0.87 C ATOM 1250 CZ PHE A 77 -4.106 -14.885 5.373 1.00 0.90 C ATOM 1251 HA PHE A 77 -8.062 -12.554 7.653 1.00 0.00 H ATOM 1252 HB2 PHE A 77 -7.179 -14.408 9.015 1.00 0.00 H ATOM 1253 HB3 PHE A 77 -8.042 -15.594 8.007 1.00 0.00 H ATOM 1254 HD2 PHE A 77 -6.563 -16.832 6.718 1.00 0.00 H ATOM 1255 HE2 PHE A 77 -4.594 -16.982 5.206 1.00 0.00 H ATOM 1256 HZ PHE A 77 -3.242 -14.955 4.712 1.00 0.00 H ATOM 1257 HE1 PHE A 77 -3.859 -12.767 5.726 1.00 0.00 H ATOM 1258 HD1 PHE A 77 -5.842 -12.607 7.234 1.00 0.00 H ATOM 1259 H PHE A 77 -9.774 -14.362 9.163 1.00 0.00 H ATOM 1260 N GLU A 78 -9.447 -14.886 5.843 1.00 0.51 N ATOM 1261 CA GLU A 78 -9.825 -15.187 4.434 1.00 0.56 C ATOM 1262 C GLU A 78 -10.557 -13.986 3.829 1.00 0.53 C ATOM 1263 O GLU A 78 -10.337 -13.623 2.692 1.00 0.59 O ATOM 1264 CB GLU A 78 -10.728 -16.446 4.422 1.00 0.63 C ATOM 1265 CG GLU A 78 -10.123 -17.538 3.532 1.00 1.05 C ATOM 1266 CD GLU A 78 -11.113 -18.697 3.401 1.00 1.14 C ATOM 1267 OE1 GLU A 78 -12.127 -18.513 2.749 1.00 1.04 O ATOM 1268 OE2 GLU A 78 -10.840 -19.748 3.956 1.00 1.45 O ATOM 1269 HA GLU A 78 -8.935 -15.379 3.835 1.00 0.00 H ATOM 1270 HB2 GLU A 78 -10.826 -16.826 5.439 1.00 0.00 H ATOM 1271 HB3 GLU A 78 -11.713 -16.177 4.040 1.00 0.00 H ATOM 1272 HG2 GLU A 78 -9.912 -17.127 2.545 1.00 0.00 H ATOM 1273 HG3 GLU A 78 -9.197 -17.900 3.979 1.00 0.00 H ATOM 1274 H GLU A 78 -9.643 -15.578 6.594 1.00 0.00 H ATOM 1275 N GLN A 79 -11.418 -13.370 4.578 1.00 0.46 N ATOM 1276 CA GLN A 79 -12.162 -12.216 4.060 1.00 0.45 C ATOM 1277 C GLN A 79 -11.210 -11.054 3.800 1.00 0.40 C ATOM 1278 O GLN A 79 -11.439 -10.236 2.931 1.00 0.41 O ATOM 1279 CB GLN A 79 -13.200 -11.866 5.109 1.00 0.49 C ATOM 1280 CG GLN A 79 -13.988 -13.135 5.437 1.00 0.49 C ATOM 1281 CD GLN A 79 -15.189 -12.792 6.316 1.00 0.46 C ATOM 1282 OE1 GLN A 79 -15.513 -13.521 7.233 1.00 0.47 O ATOM 1283 NE2 GLN A 79 -15.873 -11.708 6.071 1.00 0.45 N ATOM 1284 HA GLN A 79 -12.648 -12.440 3.110 1.00 0.00 H ATOM 1285 HB2 GLN A 79 -12.707 -11.494 6.007 1.00 0.00 H ATOM 1286 HB3 GLN A 79 -13.874 -11.102 4.722 1.00 0.00 H ATOM 1287 HG2 GLN A 79 -14.337 -13.593 4.511 1.00 0.00 H ATOM 1288 HG3 GLN A 79 -13.341 -13.835 5.966 1.00 0.00 H ATOM 1289 HE22 GLN A 79 -15.596 -11.084 5.286 1.00 0.00 H ATOM 1290 HE21 GLN A 79 -16.695 -11.468 6.660 1.00 0.00 H ATOM 1291 H GLN A 79 -11.582 -13.696 5.552 1.00 0.00 H ATOM 1292 N LYS A 80 -10.127 -10.989 4.516 1.00 0.39 N ATOM 1293 CA LYS A 80 -9.151 -9.898 4.271 1.00 0.38 C ATOM 1294 C LYS A 80 -8.316 -10.285 3.051 1.00 0.39 C ATOM 1295 O LYS A 80 -8.165 -9.522 2.117 1.00 0.40 O ATOM 1296 CB LYS A 80 -8.246 -9.733 5.494 1.00 0.41 C ATOM 1297 CG LYS A 80 -9.005 -8.993 6.598 1.00 0.50 C ATOM 1298 CD LYS A 80 -8.248 -9.135 7.920 1.00 0.51 C ATOM 1299 CE LYS A 80 -9.008 -8.398 9.025 1.00 0.51 C ATOM 1300 NZ LYS A 80 -10.402 -8.919 9.101 1.00 1.03 N ATOM 1301 HA LYS A 80 -9.666 -8.954 4.093 1.00 0.00 H ATOM 1302 HB2 LYS A 80 -7.943 -10.715 5.857 1.00 0.00 H ATOM 1303 HB3 LYS A 80 -7.361 -9.161 5.216 1.00 0.00 H ATOM 1304 HG2 LYS A 80 -9.088 -7.938 6.338 1.00 0.00 H ATOM 1305 HG3 LYS A 80 -10.003 -9.420 6.702 1.00 0.00 H ATOM 1306 HD2 LYS A 80 -8.163 -10.190 8.179 1.00 0.00 H ATOM 1307 HD3 LYS A 80 -7.251 -8.706 7.816 1.00 0.00 H ATOM 1308 HE2 LYS A 80 -9.030 -7.331 8.802 1.00 0.00 H ATOM 1309 HE3 LYS A 80 -8.507 -8.558 9.980 1.00 0.00 H ATOM 1310 HZ1 LYS A 80 -10.878 -8.765 8.189 1.00 0.00 H ATOM 1311 HZ2 LYS A 80 -10.379 -9.937 9.314 1.00 0.00 H ATOM 1312 HZ3 LYS A 80 -10.918 -8.418 9.852 1.00 0.00 H ATOM 1313 H LYS A 80 -9.946 -11.697 5.256 1.00 0.00 H ATOM 1314 N VAL A 81 -7.787 -11.482 3.048 1.00 0.44 N ATOM 1315 CA VAL A 81 -6.978 -11.947 1.889 1.00 0.47 C ATOM 1316 C VAL A 81 -7.790 -11.725 0.623 1.00 0.45 C ATOM 1317 O VAL A 81 -7.255 -11.555 -0.450 1.00 0.46 O ATOM 1318 CB VAL A 81 -6.680 -13.442 2.032 1.00 0.54 C ATOM 1319 CG1 VAL A 81 -5.748 -13.892 0.904 1.00 0.60 C ATOM 1320 CG2 VAL A 81 -6.009 -13.706 3.380 1.00 0.56 C ATOM 1321 HA VAL A 81 -6.038 -11.396 1.847 1.00 0.00 H ATOM 1322 HB VAL A 81 -7.614 -14.000 1.976 1.00 0.00 H ATOM 1323 HG11 VAL A 81 -6.228 -13.709 -0.057 1.00 0.00 H ATOM 1324 HG12 VAL A 81 -4.816 -13.330 0.959 1.00 0.00 H ATOM 1325 HG13 VAL A 81 -5.539 -14.956 1.010 1.00 0.00 H ATOM 1326 HG21 VAL A 81 -5.077 -13.144 3.437 1.00 0.00 H ATOM 1327 HG22 VAL A 81 -6.675 -13.391 4.184 1.00 0.00 H ATOM 1328 HG23 VAL A 81 -5.799 -14.771 3.477 1.00 0.00 H ATOM 1329 H VAL A 81 -7.933 -12.113 3.862 1.00 0.00 H ATOM 1330 N LEU A 82 -9.085 -11.730 0.748 1.00 0.44 N ATOM 1331 CA LEU A 82 -9.947 -11.517 -0.442 1.00 0.44 C ATOM 1332 C LEU A 82 -9.924 -10.049 -0.797 1.00 0.38 C ATOM 1333 O LEU A 82 -9.529 -9.682 -1.866 1.00 0.38 O ATOM 1334 CB LEU A 82 -11.378 -11.959 -0.100 1.00 0.47 C ATOM 1335 CG LEU A 82 -12.204 -12.264 -1.364 1.00 0.49 C ATOM 1336 CD1 LEU A 82 -12.036 -11.161 -2.413 1.00 0.53 C ATOM 1337 CD2 LEU A 82 -11.788 -13.613 -1.972 1.00 0.54 C ATOM 1338 HA LEU A 82 -9.586 -12.098 -1.290 1.00 0.00 H ATOM 1339 HB2 LEU A 82 -11.332 -12.857 0.516 1.00 0.00 H ATOM 1340 HB3 LEU A 82 -11.869 -11.162 0.458 1.00 0.00 H ATOM 1341 HG LEU A 82 -13.252 -12.310 -1.067 1.00 0.00 H ATOM 1342 HD21 LEU A 82 -10.732 -13.579 -2.240 1.00 0.00 H ATOM 1343 HD22 LEU A 82 -11.954 -14.406 -1.242 1.00 0.00 H ATOM 1344 HD23 LEU A 82 -12.384 -13.808 -2.863 1.00 0.00 H ATOM 1345 HD11 LEU A 82 -12.373 -10.211 -1.997 1.00 0.00 H ATOM 1346 HD12 LEU A 82 -10.985 -11.084 -2.693 1.00 0.00 H ATOM 1347 HD13 LEU A 82 -12.631 -11.405 -3.293 1.00 0.00 H ATOM 1348 H LEU A 82 -9.517 -11.883 1.682 1.00 0.00 H ATOM 1349 N ASN A 83 -10.348 -9.212 0.085 1.00 0.35 N ATOM 1350 CA ASN A 83 -10.351 -7.758 -0.222 1.00 0.32 C ATOM 1351 C ASN A 83 -9.016 -7.357 -0.877 1.00 0.31 C ATOM 1352 O ASN A 83 -8.962 -6.445 -1.676 1.00 0.30 O ATOM 1353 CB ASN A 83 -10.570 -6.966 1.085 1.00 0.31 C ATOM 1354 CG ASN A 83 -11.446 -5.739 0.814 1.00 0.33 C ATOM 1355 OD1 ASN A 83 -10.988 -4.616 0.887 1.00 0.35 O ATOM 1356 ND2 ASN A 83 -12.696 -5.918 0.495 1.00 0.36 N ATOM 1357 HA ASN A 83 -11.158 -7.530 -0.919 1.00 0.00 H ATOM 1358 HB2 ASN A 83 -11.062 -7.606 1.817 1.00 0.00 H ATOM 1359 HB3 ASN A 83 -9.606 -6.642 1.477 1.00 0.00 H ATOM 1360 HD22 ASN A 83 -13.084 -6.881 0.434 1.00 0.00 H ATOM 1361 HD21 ASN A 83 -13.306 -5.098 0.302 1.00 0.00 H ATOM 1362 H ASN A 83 -10.687 -9.552 1.008 1.00 0.00 H ATOM 1363 N VAL A 84 -7.940 -8.043 -0.568 1.00 0.34 N ATOM 1364 CA VAL A 84 -6.627 -7.681 -1.207 1.00 0.37 C ATOM 1365 C VAL A 84 -6.482 -8.404 -2.541 1.00 0.39 C ATOM 1366 O VAL A 84 -5.942 -7.868 -3.482 1.00 0.41 O ATOM 1367 CB VAL A 84 -5.446 -8.024 -0.289 1.00 0.41 C ATOM 1368 CG1 VAL A 84 -4.154 -7.510 -0.931 1.00 0.47 C ATOM 1369 CG2 VAL A 84 -5.651 -7.338 1.070 1.00 0.40 C ATOM 1370 HA VAL A 84 -6.618 -6.604 -1.377 1.00 0.00 H ATOM 1371 HB VAL A 84 -5.382 -9.103 -0.147 1.00 0.00 H ATOM 1372 HG11 VAL A 84 -4.018 -7.986 -1.902 1.00 0.00 H ATOM 1373 HG12 VAL A 84 -4.219 -6.430 -1.061 1.00 0.00 H ATOM 1374 HG13 VAL A 84 -3.309 -7.749 -0.286 1.00 0.00 H ATOM 1375 HG21 VAL A 84 -5.704 -6.259 0.927 1.00 0.00 H ATOM 1376 HG22 VAL A 84 -6.580 -7.692 1.518 1.00 0.00 H ATOM 1377 HG23 VAL A 84 -4.815 -7.578 1.727 1.00 0.00 H ATOM 1378 H VAL A 84 -7.995 -8.828 0.111 1.00 0.00 H ATOM 1379 N SER A 85 -6.971 -9.603 -2.644 1.00 0.41 N ATOM 1380 CA SER A 85 -6.871 -10.326 -3.940 1.00 0.46 C ATOM 1381 C SER A 85 -7.714 -9.551 -4.950 1.00 0.42 C ATOM 1382 O SER A 85 -7.486 -9.562 -6.142 1.00 0.45 O ATOM 1383 CB SER A 85 -7.427 -11.743 -3.784 1.00 0.50 C ATOM 1384 OG SER A 85 -6.807 -12.371 -2.670 1.00 0.53 O ATOM 1385 HA SER A 85 -5.834 -10.397 -4.269 1.00 0.00 H ATOM 1386 HB2 SER A 85 -7.221 -12.317 -4.687 1.00 0.00 H ATOM 1387 HB3 SER A 85 -8.504 -11.696 -3.623 1.00 0.00 H ATOM 1388 HG SER A 85 -6.996 -11.848 -1.851 1.00 0.00 H ATOM 1389 H SER A 85 -7.429 -10.054 -1.826 1.00 0.00 H ATOM 1390 N PHE A 86 -8.694 -8.876 -4.439 1.00 0.38 N ATOM 1391 CA PHE A 86 -9.615 -8.072 -5.270 1.00 0.36 C ATOM 1392 C PHE A 86 -8.890 -6.815 -5.735 1.00 0.34 C ATOM 1393 O PHE A 86 -8.812 -6.511 -6.903 1.00 0.35 O ATOM 1394 CB PHE A 86 -10.806 -7.692 -4.396 1.00 0.35 C ATOM 1395 CG PHE A 86 -11.650 -6.615 -5.039 1.00 0.32 C ATOM 1396 CD1 PHE A 86 -11.847 -6.588 -6.426 1.00 0.31 C ATOM 1397 CD2 PHE A 86 -12.265 -5.657 -4.228 1.00 0.32 C ATOM 1398 CE1 PHE A 86 -12.661 -5.601 -6.995 1.00 0.31 C ATOM 1399 CE2 PHE A 86 -13.072 -4.667 -4.796 1.00 0.32 C ATOM 1400 CZ PHE A 86 -13.272 -4.640 -6.179 1.00 0.32 C ATOM 1401 HA PHE A 86 -9.950 -8.630 -6.144 1.00 0.00 H ATOM 1402 HB2 PHE A 86 -11.423 -8.576 -4.235 1.00 0.00 H ATOM 1403 HB3 PHE A 86 -10.439 -7.328 -3.437 1.00 0.00 H ATOM 1404 HD2 PHE A 86 -12.115 -5.682 -3.149 1.00 0.00 H ATOM 1405 HE2 PHE A 86 -13.545 -3.917 -4.161 1.00 0.00 H ATOM 1406 HZ PHE A 86 -13.904 -3.871 -6.623 1.00 0.00 H ATOM 1407 HE1 PHE A 86 -12.819 -5.580 -8.073 1.00 0.00 H ATOM 1408 HD1 PHE A 86 -11.368 -7.334 -7.060 1.00 0.00 H ATOM 1409 H PHE A 86 -8.838 -8.900 -3.409 1.00 0.00 H ATOM 1410 N ALA A 87 -8.337 -6.083 -4.823 1.00 0.32 N ATOM 1411 CA ALA A 87 -7.589 -4.865 -5.229 1.00 0.33 C ATOM 1412 C ALA A 87 -6.569 -5.306 -6.276 1.00 0.38 C ATOM 1413 O ALA A 87 -6.344 -4.649 -7.264 1.00 0.39 O ATOM 1414 CB ALA A 87 -6.871 -4.266 -4.017 1.00 0.35 C ATOM 1415 HA ALA A 87 -8.260 -4.106 -5.631 1.00 0.00 H ATOM 1416 HB1 ALA A 87 -7.605 -4.001 -3.256 1.00 0.00 H ATOM 1417 HB2 ALA A 87 -6.173 -4.998 -3.611 1.00 0.00 H ATOM 1418 HB3 ALA A 87 -6.325 -3.374 -4.324 1.00 0.00 H ATOM 1419 H ALA A 87 -8.415 -6.343 -3.819 1.00 0.00 H ATOM 1420 N PHE A 88 -5.987 -6.452 -6.058 1.00 0.41 N ATOM 1421 CA PHE A 88 -5.018 -7.026 -6.979 1.00 0.48 C ATOM 1422 C PHE A 88 -5.734 -7.358 -8.289 1.00 0.48 C ATOM 1423 O PHE A 88 -5.140 -7.444 -9.336 1.00 0.53 O ATOM 1424 CB PHE A 88 -4.495 -8.303 -6.300 1.00 0.52 C ATOM 1425 CG PHE A 88 -3.932 -9.272 -7.305 1.00 0.59 C ATOM 1426 CD1 PHE A 88 -3.191 -8.782 -8.360 1.00 0.61 C ATOM 1427 CD2 PHE A 88 -4.164 -10.647 -7.181 1.00 0.66 C ATOM 1428 CE1 PHE A 88 -2.665 -9.656 -9.320 1.00 0.69 C ATOM 1429 CE2 PHE A 88 -3.640 -11.530 -8.132 1.00 0.73 C ATOM 1430 CZ PHE A 88 -2.889 -11.034 -9.204 1.00 0.74 C ATOM 1431 HA PHE A 88 -4.194 -6.349 -7.205 1.00 0.00 H ATOM 1432 HB2 PHE A 88 -3.712 -8.032 -5.592 1.00 0.00 H ATOM 1433 HB3 PHE A 88 -5.316 -8.782 -5.767 1.00 0.00 H ATOM 1434 HD2 PHE A 88 -4.751 -11.029 -6.346 1.00 0.00 H ATOM 1435 HE2 PHE A 88 -3.816 -12.602 -8.038 1.00 0.00 H ATOM 1436 HZ PHE A 88 -2.479 -11.718 -9.947 1.00 0.00 H ATOM 1437 HE1 PHE A 88 -2.083 -9.265 -10.155 1.00 0.00 H ATOM 1438 HD1 PHE A 88 -3.014 -7.710 -8.447 1.00 0.00 H ATOM 1439 H PHE A 88 -6.225 -6.976 -5.192 1.00 0.00 H ATOM 1440 N GLU A 89 -7.014 -7.565 -8.236 1.00 0.44 N ATOM 1441 CA GLU A 89 -7.747 -7.912 -9.490 1.00 0.46 C ATOM 1442 C GLU A 89 -7.981 -6.645 -10.327 1.00 0.43 C ATOM 1443 O GLU A 89 -7.631 -6.589 -11.496 1.00 0.47 O ATOM 1444 CB GLU A 89 -9.080 -8.591 -9.119 1.00 0.46 C ATOM 1445 CG GLU A 89 -8.858 -10.096 -8.939 1.00 0.51 C ATOM 1446 CD GLU A 89 -8.777 -10.774 -10.309 1.00 0.58 C ATOM 1447 OE1 GLU A 89 -8.790 -10.064 -11.302 1.00 0.60 O ATOM 1448 OE2 GLU A 89 -8.703 -11.991 -10.342 1.00 0.63 O ATOM 1449 HA GLU A 89 -7.157 -8.604 -10.091 1.00 0.00 H ATOM 1450 HB2 GLU A 89 -9.457 -8.166 -8.189 1.00 0.00 H ATOM 1451 HB3 GLU A 89 -9.806 -8.424 -9.914 1.00 0.00 H ATOM 1452 HG2 GLU A 89 -7.927 -10.263 -8.396 1.00 0.00 H ATOM 1453 HG3 GLU A 89 -9.688 -10.520 -8.373 1.00 0.00 H ATOM 1454 H GLU A 89 -7.523 -7.490 -7.332 1.00 0.00 H ATOM 1455 N LEU A 90 -8.539 -5.620 -9.749 1.00 0.38 N ATOM 1456 CA LEU A 90 -8.760 -4.374 -10.535 1.00 0.37 C ATOM 1457 C LEU A 90 -7.410 -3.748 -10.841 1.00 0.41 C ATOM 1458 O LEU A 90 -7.285 -2.901 -11.703 1.00 0.42 O ATOM 1459 CB LEU A 90 -9.606 -3.377 -9.738 1.00 0.34 C ATOM 1460 CG LEU A 90 -10.916 -4.032 -9.284 1.00 0.33 C ATOM 1461 CD1 LEU A 90 -11.803 -2.979 -8.597 1.00 0.33 C ATOM 1462 CD2 LEU A 90 -11.658 -4.621 -10.497 1.00 0.36 C ATOM 1463 HA LEU A 90 -9.287 -4.621 -11.456 1.00 0.00 H ATOM 1464 HB2 LEU A 90 -9.046 -3.049 -8.863 1.00 0.00 H ATOM 1465 HB3 LEU A 90 -9.833 -2.516 -10.366 1.00 0.00 H ATOM 1466 HG LEU A 90 -10.691 -4.835 -8.582 1.00 0.00 H ATOM 1467 HD21 LEU A 90 -11.882 -3.824 -11.206 1.00 0.00 H ATOM 1468 HD22 LEU A 90 -11.029 -5.371 -10.977 1.00 0.00 H ATOM 1469 HD23 LEU A 90 -12.587 -5.084 -10.164 1.00 0.00 H ATOM 1470 HD11 LEU A 90 -11.279 -2.573 -7.731 1.00 0.00 H ATOM 1471 HD12 LEU A 90 -12.022 -2.175 -9.300 1.00 0.00 H ATOM 1472 HD13 LEU A 90 -12.734 -3.445 -8.274 1.00 0.00 H ATOM 1473 H LEU A 90 -8.827 -5.671 -8.751 1.00 0.00 H ATOM 1474 N MET A 91 -6.393 -4.160 -10.143 1.00 0.43 N ATOM 1475 CA MET A 91 -5.043 -3.583 -10.401 1.00 0.49 C ATOM 1476 C MET A 91 -4.426 -4.336 -11.565 1.00 0.54 C ATOM 1477 O MET A 91 -3.994 -3.753 -12.538 1.00 0.58 O ATOM 1478 CB MET A 91 -4.169 -3.730 -9.157 1.00 0.52 C ATOM 1479 CG MET A 91 -4.553 -2.663 -8.125 1.00 0.48 C ATOM 1480 SD MET A 91 -3.838 -1.071 -8.606 1.00 0.55 S ATOM 1481 CE MET A 91 -4.635 -0.070 -7.326 1.00 0.60 C ATOM 1482 HA MET A 91 -5.122 -2.522 -10.640 1.00 0.00 H ATOM 1483 HB2 MET A 91 -4.316 -4.720 -8.726 1.00 0.00 H ATOM 1484 HB3 MET A 91 -3.122 -3.607 -9.433 1.00 0.00 H ATOM 1485 HG2 MET A 91 -4.172 -2.951 -7.145 1.00 0.00 H ATOM 1486 HG3 MET A 91 -5.639 -2.575 -8.080 1.00 0.00 H ATOM 1487 HE1 MET A 91 -5.717 -0.144 -7.430 1.00 0.00 H ATOM 1488 HE2 MET A 91 -4.337 -0.435 -6.343 1.00 0.00 H ATOM 1489 HE3 MET A 91 -4.328 0.970 -7.437 1.00 0.00 H ATOM 1490 H MET A 91 -6.521 -4.887 -9.410 1.00 0.00 H ATOM 1491 N GLN A 92 -4.419 -5.636 -11.485 1.00 0.56 N ATOM 1492 CA GLN A 92 -3.871 -6.457 -12.598 1.00 0.62 C ATOM 1493 C GLN A 92 -4.471 -5.928 -13.892 1.00 0.61 C ATOM 1494 O GLN A 92 -3.853 -5.942 -14.937 1.00 0.69 O ATOM 1495 CB GLN A 92 -4.269 -7.923 -12.406 1.00 0.64 C ATOM 1496 CG GLN A 92 -3.546 -8.789 -13.439 1.00 0.66 C ATOM 1497 CD GLN A 92 -4.093 -10.216 -13.384 1.00 0.68 C ATOM 1498 OE1 GLN A 92 -4.287 -10.844 -14.406 1.00 0.72 O ATOM 1499 NE2 GLN A 92 -4.352 -10.760 -12.226 1.00 0.67 N ATOM 1500 HA GLN A 92 -2.783 -6.395 -12.622 1.00 0.00 H ATOM 1501 HB2 GLN A 92 -3.992 -8.246 -11.403 1.00 0.00 H ATOM 1502 HB3 GLN A 92 -5.346 -8.027 -12.535 1.00 0.00 H ATOM 1503 HG2 GLN A 92 -3.707 -8.377 -14.435 1.00 0.00 H ATOM 1504 HG3 GLN A 92 -2.478 -8.801 -13.220 1.00 0.00 H ATOM 1505 HE22 GLN A 92 -4.186 -10.223 -11.351 1.00 0.00 H ATOM 1506 HE21 GLN A 92 -4.724 -11.730 -12.179 1.00 0.00 H ATOM 1507 H GLN A 92 -4.799 -6.103 -10.637 1.00 0.00 H ATOM 1508 N ASP A 93 -5.675 -5.422 -13.810 1.00 0.54 N ATOM 1509 CA ASP A 93 -6.320 -4.846 -15.018 1.00 0.54 C ATOM 1510 C ASP A 93 -5.819 -3.415 -15.168 1.00 0.55 C ATOM 1511 O ASP A 93 -5.291 -3.025 -16.190 1.00 0.62 O ATOM 1512 CB ASP A 93 -7.849 -4.860 -14.828 1.00 0.50 C ATOM 1513 CG ASP A 93 -8.552 -5.102 -16.169 1.00 0.61 C ATOM 1514 OD1 ASP A 93 -8.804 -4.133 -16.866 1.00 0.80 O ATOM 1515 OD2 ASP A 93 -8.827 -6.251 -16.473 1.00 0.75 O ATOM 1516 HA ASP A 93 -6.076 -5.423 -15.910 1.00 0.00 H ATOM 1517 HB2 ASP A 93 -8.118 -5.655 -14.133 1.00 0.00 H ATOM 1518 HB3 ASP A 93 -8.170 -3.901 -14.422 1.00 0.00 H ATOM 1519 H ASP A 93 -6.180 -5.423 -12.901 1.00 0.00 H ATOM 1520 N GLY A 94 -5.970 -2.640 -14.137 1.00 0.54 N ATOM 1521 CA GLY A 94 -5.494 -1.234 -14.186 1.00 0.61 C ATOM 1522 C GLY A 94 -3.964 -1.223 -14.253 1.00 0.73 C ATOM 1523 O GLY A 94 -3.344 -0.182 -14.165 1.00 0.82 O ATOM 1524 HA3 GLY A 94 -5.824 -0.706 -13.292 1.00 0.00 H ATOM 1525 HA2 GLY A 94 -5.902 -0.741 -15.069 1.00 0.00 H ATOM 1526 H GLY A 94 -6.425 -3.004 -13.276 1.00 0.00 H ATOM 1527 N GLY A 95 -3.351 -2.377 -14.416 1.00 0.80 N ATOM 1528 CA GLY A 95 -1.848 -2.440 -14.500 1.00 0.94 C ATOM 1529 C GLY A 95 -1.276 -3.232 -13.315 1.00 0.92 C ATOM 1530 O GLY A 95 -1.755 -4.295 -12.983 1.00 0.91 O ATOM 1531 HA3 GLY A 95 -1.445 -1.427 -14.483 1.00 0.00 H ATOM 1532 HA2 GLY A 95 -1.561 -2.929 -15.431 1.00 0.00 H ATOM 1533 H GLY A 95 -3.909 -3.252 -14.487 1.00 0.00 H ATOM 1534 N LEU A 96 -0.242 -2.719 -12.687 1.00 0.92 N ATOM 1535 CA LEU A 96 0.394 -3.418 -11.525 1.00 0.91 C ATOM 1536 C LEU A 96 0.957 -4.780 -11.944 1.00 0.94 C ATOM 1537 O LEU A 96 1.885 -5.285 -11.347 1.00 0.95 O ATOM 1538 CB LEU A 96 -0.634 -3.612 -10.412 1.00 0.89 C ATOM 1539 CG LEU A 96 0.073 -4.043 -9.113 1.00 0.87 C ATOM 1540 CD1 LEU A 96 0.886 -2.873 -8.519 1.00 0.93 C ATOM 1541 CD2 LEU A 96 -0.977 -4.509 -8.094 1.00 0.86 C ATOM 1542 HA LEU A 96 1.216 -2.800 -11.164 1.00 0.00 H ATOM 1543 HB2 LEU A 96 -1.164 -2.675 -10.242 1.00 0.00 H ATOM 1544 HB3 LEU A 96 -1.347 -4.382 -10.708 1.00 0.00 H ATOM 1545 HG LEU A 96 0.758 -4.860 -9.341 1.00 0.00 H ATOM 1546 HD21 LEU A 96 -1.664 -3.690 -7.882 1.00 0.00 H ATOM 1547 HD22 LEU A 96 -1.531 -5.352 -8.505 1.00 0.00 H ATOM 1548 HD23 LEU A 96 -0.478 -4.814 -7.174 1.00 0.00 H ATOM 1549 HD11 LEU A 96 1.638 -2.552 -9.240 1.00 0.00 H ATOM 1550 HD12 LEU A 96 0.216 -2.043 -8.297 1.00 0.00 H ATOM 1551 HD13 LEU A 96 1.376 -3.201 -7.602 1.00 0.00 H ATOM 1552 H LEU A 96 0.144 -1.807 -13.004 1.00 0.00 H ATOM 1553 N GLU A 97 0.402 -5.375 -12.957 1.00 0.96 N ATOM 1554 CA GLU A 97 0.895 -6.704 -13.417 1.00 1.00 C ATOM 1555 C GLU A 97 0.763 -7.719 -12.280 1.00 0.99 C ATOM 1556 O GLU A 97 -0.143 -7.647 -11.475 1.00 0.99 O ATOM 1557 CB GLU A 97 2.362 -6.594 -13.847 1.00 1.05 C ATOM 1558 CG GLU A 97 2.553 -5.330 -14.688 1.00 1.13 C ATOM 1559 CD GLU A 97 3.950 -5.338 -15.312 1.00 1.25 C ATOM 1560 OE1 GLU A 97 4.902 -5.556 -14.582 1.00 1.37 O ATOM 1561 OE2 GLU A 97 4.043 -5.125 -16.510 1.00 1.27 O ATOM 1562 HA GLU A 97 0.299 -7.035 -14.268 1.00 0.00 H ATOM 1563 HB2 GLU A 97 2.997 -6.542 -12.963 1.00 0.00 H ATOM 1564 HB3 GLU A 97 2.634 -7.469 -14.438 1.00 0.00 H ATOM 1565 HG2 GLU A 97 1.802 -5.302 -15.478 1.00 0.00 H ATOM 1566 HG3 GLU A 97 2.444 -4.451 -14.053 1.00 0.00 H ATOM 1567 H GLU A 97 -0.392 -4.920 -13.451 1.00 0.00 H ATOM 1568 N LYS A 98 1.656 -8.670 -12.212 1.00 1.02 N ATOM 1569 CA LYS A 98 1.581 -9.699 -11.131 1.00 1.01 C ATOM 1570 C LYS A 98 2.417 -9.236 -9.915 1.00 1.00 C ATOM 1571 O LYS A 98 3.623 -9.145 -10.032 1.00 1.04 O ATOM 1572 CB LYS A 98 2.174 -11.008 -11.659 1.00 1.08 C ATOM 1573 CG LYS A 98 1.342 -11.507 -12.842 1.00 1.09 C ATOM 1574 CD LYS A 98 1.791 -12.920 -13.219 1.00 1.13 C ATOM 1575 CE LYS A 98 1.001 -13.398 -14.438 1.00 1.16 C ATOM 1576 NZ LYS A 98 1.411 -12.611 -15.635 1.00 1.18 N ATOM 1577 HA LYS A 98 0.542 -9.840 -10.832 1.00 0.00 H ATOM 1578 HB2 LYS A 98 3.200 -10.837 -11.983 1.00 0.00 H ATOM 1579 HB3 LYS A 98 2.165 -11.757 -10.867 1.00 0.00 H ATOM 1580 HG2 LYS A 98 0.288 -11.522 -12.565 1.00 0.00 H ATOM 1581 HG3 LYS A 98 1.483 -10.841 -13.693 1.00 0.00 H ATOM 1582 HD2 LYS A 98 2.855 -12.912 -13.455 1.00 0.00 H ATOM 1583 HD3 LYS A 98 1.611 -13.594 -12.382 1.00 0.00 H ATOM 1584 HE2 LYS A 98 -0.065 -13.258 -14.258 1.00 0.00 H ATOM 1585 HE3 LYS A 98 1.203 -14.455 -14.611 1.00 0.00 H ATOM 1586 HZ1 LYS A 98 1.217 -11.603 -15.469 1.00 0.00 H ATOM 1587 HZ2 LYS A 98 2.428 -12.746 -15.805 1.00 0.00 H ATOM 1588 HZ3 LYS A 98 0.873 -12.937 -16.463 1.00 0.00 H ATOM 1589 H LYS A 98 2.423 -8.711 -12.913 1.00 0.00 H ATOM 1590 N PRO A 99 1.796 -8.956 -8.773 1.00 0.93 N ATOM 1591 CA PRO A 99 2.564 -8.519 -7.595 1.00 0.91 C ATOM 1592 C PRO A 99 3.609 -9.584 -7.246 1.00 0.98 C ATOM 1593 O PRO A 99 3.502 -10.728 -7.644 1.00 1.02 O ATOM 1594 CB PRO A 99 1.519 -8.346 -6.467 1.00 0.84 C ATOM 1595 CG PRO A 99 0.118 -8.596 -7.092 1.00 0.82 C ATOM 1596 CD PRO A 99 0.334 -9.042 -8.556 1.00 0.88 C ATOM 1597 HA PRO A 99 3.108 -7.589 -7.761 1.00 0.00 H ATOM 1598 HD3 PRO A 99 -0.015 -10.064 -8.701 1.00 0.00 H ATOM 1599 HD2 PRO A 99 -0.195 -8.379 -9.241 1.00 0.00 H ATOM 1600 HG3 PRO A 99 -0.471 -7.679 -7.065 1.00 0.00 H ATOM 1601 HG2 PRO A 99 -0.403 -9.377 -6.538 1.00 0.00 H ATOM 1602 HB2 PRO A 99 1.706 -9.066 -5.671 1.00 0.00 H ATOM 1603 HB3 PRO A 99 1.572 -7.336 -6.061 1.00 0.00 H ATOM 1604 N LYS A 100 4.624 -9.212 -6.520 1.00 0.98 N ATOM 1605 CA LYS A 100 5.683 -10.197 -6.160 1.00 1.05 C ATOM 1606 C LYS A 100 5.184 -11.127 -5.022 1.00 1.02 C ATOM 1607 O LYS A 100 5.142 -12.326 -5.211 1.00 1.04 O ATOM 1608 CB LYS A 100 7.019 -9.479 -5.784 1.00 1.11 C ATOM 1609 CG LYS A 100 6.917 -7.938 -5.920 1.00 1.18 C ATOM 1610 CD LYS A 100 6.920 -7.541 -7.407 1.00 1.25 C ATOM 1611 CE LYS A 100 8.327 -7.696 -8.015 1.00 1.22 C ATOM 1612 NZ LYS A 100 8.467 -9.061 -8.599 1.00 1.30 N ATOM 1613 HA LYS A 100 5.894 -10.817 -7.031 1.00 0.00 H ATOM 1614 HB2 LYS A 100 7.271 -9.724 -4.752 1.00 0.00 H ATOM 1615 HB3 LYS A 100 7.808 -9.838 -6.445 1.00 0.00 H ATOM 1616 HG2 LYS A 100 5.992 -7.594 -5.456 1.00 0.00 H ATOM 1617 HG3 LYS A 100 7.767 -7.474 -5.420 1.00 0.00 H ATOM 1618 HD2 LYS A 100 6.224 -8.181 -7.949 1.00 0.00 H ATOM 1619 HD3 LYS A 100 6.603 -6.502 -7.500 1.00 0.00 H ATOM 1620 HE2 LYS A 100 9.077 -7.554 -7.237 1.00 0.00 H ATOM 1621 HE3 LYS A 100 8.470 -6.949 -8.796 1.00 0.00 H ATOM 1622 HZ1 LYS A 100 8.331 -9.772 -7.852 1.00 0.00 H ATOM 1623 HZ2 LYS A 100 7.751 -9.194 -9.341 1.00 0.00 H ATOM 1624 HZ3 LYS A 100 9.417 -9.165 -9.009 1.00 0.00 H ATOM 1625 H LYS A 100 4.696 -8.228 -6.191 1.00 0.00 H ATOM 1626 N PRO A 101 4.809 -10.574 -3.882 1.00 0.97 N ATOM 1627 CA PRO A 101 4.309 -11.389 -2.753 1.00 0.95 C ATOM 1628 C PRO A 101 2.884 -11.881 -3.068 1.00 0.89 C ATOM 1629 O PRO A 101 2.488 -11.924 -4.216 1.00 0.89 O ATOM 1630 CB PRO A 101 4.350 -10.417 -1.566 1.00 0.92 C ATOM 1631 CG PRO A 101 4.370 -8.997 -2.147 1.00 0.92 C ATOM 1632 CD PRO A 101 4.851 -9.124 -3.605 1.00 0.95 C ATOM 1633 HA PRO A 101 4.892 -12.288 -2.551 1.00 0.00 H ATOM 1634 HD3 PRO A 101 4.187 -8.583 -4.279 1.00 0.00 H ATOM 1635 HD2 PRO A 101 5.866 -8.740 -3.711 1.00 0.00 H ATOM 1636 HG3 PRO A 101 5.054 -8.367 -1.578 1.00 0.00 H ATOM 1637 HG2 PRO A 101 3.370 -8.564 -2.117 1.00 0.00 H ATOM 1638 HB2 PRO A 101 3.468 -10.553 -0.940 1.00 0.00 H ATOM 1639 HB3 PRO A 101 5.247 -10.591 -0.971 1.00 0.00 H ATOM 1640 N ARG A 102 2.122 -12.276 -2.071 1.00 0.84 N ATOM 1641 CA ARG A 102 0.731 -12.795 -2.321 1.00 0.79 C ATOM 1642 C ARG A 102 -0.284 -12.012 -1.453 1.00 0.71 C ATOM 1643 O ARG A 102 0.063 -11.594 -0.372 1.00 0.71 O ATOM 1644 CB ARG A 102 0.701 -14.278 -1.925 1.00 0.83 C ATOM 1645 CG ARG A 102 1.983 -14.950 -2.411 1.00 0.92 C ATOM 1646 CD ARG A 102 1.886 -16.460 -2.185 1.00 0.96 C ATOM 1647 NE ARG A 102 1.816 -16.740 -0.723 1.00 1.05 N ATOM 1648 CZ ARG A 102 1.426 -17.912 -0.302 1.00 1.11 C ATOM 1649 NH1 ARG A 102 1.095 -18.837 -1.161 1.00 1.09 N ATOM 1650 NH2 ARG A 102 1.367 -18.159 0.978 1.00 1.18 N ATOM 1651 HA ARG A 102 0.466 -12.672 -3.371 1.00 0.00 H ATOM 1652 HB2 ARG A 102 0.631 -14.365 -0.841 1.00 0.00 H ATOM 1653 HB3 ARG A 102 -0.162 -14.761 -2.384 1.00 0.00 H ATOM 1654 HG2 ARG A 102 2.118 -14.750 -3.474 1.00 0.00 H ATOM 1655 HG3 ARG A 102 2.834 -14.553 -1.857 1.00 0.00 H ATOM 1656 HD2 ARG A 102 2.765 -16.948 -2.607 1.00 0.00 H ATOM 1657 HD3 ARG A 102 0.990 -16.844 -2.672 1.00 0.00 H ATOM 1658 HE ARG A 102 2.078 -16.002 -0.039 1.00 0.00 H ATOM 1659 HH12 ARG A 102 0.784 -19.771 -0.825 1.00 0.00 H ATOM 1660 HH11 ARG A 102 1.142 -18.640 -2.181 1.00 0.00 H ATOM 1661 HH22 ARG A 102 1.056 -19.093 1.314 1.00 0.00 H ATOM 1662 HH21 ARG A 102 1.631 -17.422 1.663 1.00 0.00 H ATOM 1663 H ARG A 102 2.485 -12.229 -1.098 1.00 0.00 H ATOM 1664 N PRO A 103 -1.516 -11.850 -1.929 1.00 0.66 N ATOM 1665 CA PRO A 103 -2.567 -11.126 -1.176 1.00 0.59 C ATOM 1666 C PRO A 103 -2.479 -11.435 0.321 1.00 0.59 C ATOM 1667 O PRO A 103 -2.802 -10.613 1.155 1.00 0.55 O ATOM 1668 CB PRO A 103 -3.881 -11.631 -1.797 1.00 0.57 C ATOM 1669 CG PRO A 103 -3.513 -12.194 -3.196 1.00 0.61 C ATOM 1670 CD PRO A 103 -1.976 -12.379 -3.227 1.00 0.67 C ATOM 1671 HA PRO A 103 -2.474 -10.042 -1.246 1.00 0.00 H ATOM 1672 HD3 PRO A 103 -1.716 -13.433 -3.328 1.00 0.00 H ATOM 1673 HD2 PRO A 103 -1.536 -11.817 -4.051 1.00 0.00 H ATOM 1674 HG3 PRO A 103 -3.821 -11.494 -3.973 1.00 0.00 H ATOM 1675 HG2 PRO A 103 -4.008 -13.152 -3.355 1.00 0.00 H ATOM 1676 HB2 PRO A 103 -4.315 -12.415 -1.177 1.00 0.00 H ATOM 1677 HB3 PRO A 103 -4.592 -10.811 -1.895 1.00 0.00 H ATOM 1678 N GLU A 104 -2.026 -12.603 0.664 1.00 0.64 N ATOM 1679 CA GLU A 104 -1.893 -12.957 2.100 1.00 0.65 C ATOM 1680 C GLU A 104 -0.696 -12.207 2.664 1.00 0.67 C ATOM 1681 O GLU A 104 -0.807 -11.419 3.578 1.00 0.65 O ATOM 1682 CB GLU A 104 -1.645 -14.461 2.227 1.00 0.71 C ATOM 1683 CG GLU A 104 -2.875 -15.224 1.741 1.00 0.71 C ATOM 1684 CD GLU A 104 -2.615 -16.728 1.841 1.00 0.78 C ATOM 1685 OE1 GLU A 104 -1.728 -17.108 2.588 1.00 0.81 O ATOM 1686 OE2 GLU A 104 -3.308 -17.475 1.169 1.00 0.82 O ATOM 1687 HA GLU A 104 -2.801 -12.691 2.642 1.00 0.00 H ATOM 1688 HB2 GLU A 104 -0.782 -14.739 1.622 1.00 0.00 H ATOM 1689 HB3 GLU A 104 -1.451 -14.711 3.270 1.00 0.00 H ATOM 1690 HG2 GLU A 104 -3.733 -14.962 2.359 1.00 0.00 H ATOM 1691 HG3 GLU A 104 -3.081 -14.959 0.704 1.00 0.00 H ATOM 1692 H GLU A 104 -1.756 -13.291 -0.068 1.00 0.00 H ATOM 1693 N ASP A 105 0.443 -12.450 2.088 1.00 0.73 N ATOM 1694 CA ASP A 105 1.699 -11.789 2.517 1.00 0.78 C ATOM 1695 C ASP A 105 1.437 -10.304 2.787 1.00 0.73 C ATOM 1696 O ASP A 105 2.118 -9.675 3.565 1.00 0.77 O ATOM 1697 CB ASP A 105 2.699 -11.963 1.377 1.00 0.83 C ATOM 1698 CG ASP A 105 3.091 -13.438 1.266 1.00 0.88 C ATOM 1699 OD1 ASP A 105 2.441 -14.252 1.900 1.00 0.94 O ATOM 1700 OD2 ASP A 105 4.035 -13.727 0.548 1.00 0.86 O ATOM 1701 HA ASP A 105 2.087 -12.227 3.437 1.00 0.00 H ATOM 1702 HB2 ASP A 105 2.245 -11.636 0.442 1.00 0.00 H ATOM 1703 HB3 ASP A 105 3.587 -11.364 1.578 1.00 0.00 H ATOM 1704 H ASP A 105 0.475 -13.129 1.301 1.00 0.00 H ATOM 1705 N ILE A 106 0.434 -9.748 2.169 1.00 0.67 N ATOM 1706 CA ILE A 106 0.105 -8.309 2.415 1.00 0.64 C ATOM 1707 C ILE A 106 -0.757 -8.248 3.682 1.00 0.59 C ATOM 1708 O ILE A 106 -0.324 -7.788 4.720 1.00 0.61 O ATOM 1709 CB ILE A 106 -0.678 -7.709 1.214 1.00 0.61 C ATOM 1710 CG1 ILE A 106 -0.407 -8.508 -0.067 1.00 0.64 C ATOM 1711 CG2 ILE A 106 -0.267 -6.252 0.983 1.00 0.62 C ATOM 1712 CD1 ILE A 106 1.080 -8.450 -0.438 1.00 0.72 C ATOM 1713 HA ILE A 106 1.020 -7.729 2.535 1.00 0.00 H ATOM 1714 HB ILE A 106 -1.740 -7.759 1.453 1.00 0.00 H ATOM 1715 HG12 ILE A 106 -0.696 -9.547 0.091 1.00 0.00 H ATOM 1716 HG13 ILE A 106 -0.996 -8.088 -0.882 1.00 0.00 H ATOM 1717 HD11 ILE A 106 1.372 -7.413 -0.601 1.00 0.00 H ATOM 1718 HD12 ILE A 106 1.672 -8.873 0.373 1.00 0.00 H ATOM 1719 HD13 ILE A 106 1.248 -9.024 -1.349 1.00 0.00 H ATOM 1720 HG21 ILE A 106 -0.485 -5.668 1.877 1.00 0.00 H ATOM 1721 HG22 ILE A 106 0.801 -6.207 0.770 1.00 0.00 H ATOM 1722 HG23 ILE A 106 -0.825 -5.848 0.138 1.00 0.00 H ATOM 1723 H ILE A 106 -0.139 -10.305 1.504 1.00 0.00 H ATOM 1724 N VAL A 107 -1.972 -8.737 3.602 1.00 0.54 N ATOM 1725 CA VAL A 107 -2.868 -8.744 4.799 1.00 0.51 C ATOM 1726 C VAL A 107 -2.071 -9.239 6.013 1.00 0.53 C ATOM 1727 O VAL A 107 -2.385 -8.940 7.148 1.00 0.50 O ATOM 1728 CB VAL A 107 -3.998 -9.758 4.542 1.00 0.49 C ATOM 1729 CG1 VAL A 107 -4.774 -10.086 5.835 1.00 0.48 C ATOM 1730 CG2 VAL A 107 -4.952 -9.215 3.483 1.00 0.46 C ATOM 1731 HA VAL A 107 -3.262 -7.744 4.979 1.00 0.00 H ATOM 1732 HB VAL A 107 -3.544 -10.682 4.184 1.00 0.00 H ATOM 1733 HG11 VAL A 107 -4.090 -10.512 6.570 1.00 0.00 H ATOM 1734 HG12 VAL A 107 -5.215 -9.173 6.234 1.00 0.00 H ATOM 1735 HG13 VAL A 107 -5.563 -10.805 5.612 1.00 0.00 H ATOM 1736 HG21 VAL A 107 -5.383 -8.276 3.831 1.00 0.00 H ATOM 1737 HG22 VAL A 107 -4.404 -9.043 2.556 1.00 0.00 H ATOM 1738 HG23 VAL A 107 -5.748 -9.939 3.308 1.00 0.00 H ATOM 1739 H VAL A 107 -2.314 -9.123 2.699 1.00 0.00 H ATOM 1740 N ASN A 108 -1.071 -10.040 5.768 1.00 0.59 N ATOM 1741 CA ASN A 108 -0.266 -10.624 6.881 1.00 0.63 C ATOM 1742 C ASN A 108 0.343 -9.518 7.755 1.00 0.63 C ATOM 1743 O ASN A 108 1.173 -9.782 8.602 1.00 0.66 O ATOM 1744 CB ASN A 108 0.864 -11.485 6.275 1.00 0.69 C ATOM 1745 CG ASN A 108 1.249 -12.607 7.246 1.00 1.07 C ATOM 1746 OD1 ASN A 108 1.305 -12.399 8.441 1.00 1.33 O ATOM 1747 ND2 ASN A 108 1.517 -13.794 6.776 1.00 1.35 N ATOM 1748 HA ASN A 108 -0.915 -11.235 7.508 1.00 0.00 H ATOM 1749 HB2 ASN A 108 0.522 -11.921 5.337 1.00 0.00 H ATOM 1750 HB3 ASN A 108 1.734 -10.857 6.086 1.00 0.00 H ATOM 1751 HD22 ASN A 108 1.469 -13.971 5.752 1.00 0.00 H ATOM 1752 HD21 ASN A 108 1.779 -14.563 7.425 1.00 0.00 H ATOM 1753 H ASN A 108 -0.831 -10.275 4.784 1.00 0.00 H ATOM 1754 N CYS A 109 -0.059 -8.292 7.569 1.00 0.61 N ATOM 1755 CA CYS A 109 0.500 -7.191 8.401 1.00 0.63 C ATOM 1756 C CYS A 109 2.028 -7.231 8.356 1.00 0.70 C ATOM 1757 O CYS A 109 2.693 -6.453 9.011 1.00 0.85 O ATOM 1758 CB CYS A 109 0.026 -7.355 9.848 1.00 0.62 C ATOM 1759 SG CYS A 109 0.694 -6.010 10.858 1.00 0.66 S ATOM 1760 HA CYS A 109 0.155 -6.234 8.010 1.00 0.00 H ATOM 1761 HB2 CYS A 109 0.375 -8.311 10.239 1.00 0.00 H ATOM 1762 HB3 CYS A 109 -1.063 -7.327 9.879 1.00 0.00 H ATOM 1763 HG CYS A 109 2.073 -6.048 10.818 1.00 0.00 H ATOM 1764 H CYS A 109 -0.770 -8.083 6.840 1.00 0.00 H ATOM 1765 N ASP A 110 2.599 -8.114 7.579 1.00 0.72 N ATOM 1766 CA ASP A 110 4.071 -8.165 7.499 1.00 0.79 C ATOM 1767 C ASP A 110 4.529 -6.960 6.700 1.00 0.81 C ATOM 1768 O ASP A 110 3.773 -6.371 5.957 1.00 0.80 O ATOM 1769 CB ASP A 110 4.532 -9.460 6.817 1.00 0.84 C ATOM 1770 CG ASP A 110 3.963 -9.547 5.400 1.00 0.85 C ATOM 1771 OD1 ASP A 110 3.731 -8.509 4.804 1.00 0.88 O ATOM 1772 OD2 ASP A 110 3.775 -10.658 4.930 1.00 0.98 O ATOM 1773 HA ASP A 110 4.503 -8.149 8.500 1.00 0.00 H ATOM 1774 HB2 ASP A 110 5.621 -9.473 6.769 1.00 0.00 H ATOM 1775 HB3 ASP A 110 4.185 -10.315 7.397 1.00 0.00 H ATOM 1776 H ASP A 110 2.020 -8.775 7.022 1.00 0.00 H ATOM 1777 N LEU A 111 5.752 -6.586 6.851 1.00 0.89 N ATOM 1778 CA LEU A 111 6.280 -5.418 6.117 1.00 0.93 C ATOM 1779 C LEU A 111 7.004 -5.906 4.869 1.00 0.97 C ATOM 1780 O LEU A 111 6.714 -5.512 3.782 1.00 0.96 O ATOM 1781 CB LEU A 111 7.263 -4.680 7.026 1.00 1.02 C ATOM 1782 CG LEU A 111 6.499 -3.855 8.066 1.00 1.06 C ATOM 1783 CD1 LEU A 111 5.722 -4.787 9.005 1.00 1.09 C ATOM 1784 CD2 LEU A 111 7.497 -3.025 8.881 1.00 1.12 C ATOM 1785 HA LEU A 111 5.470 -4.749 5.827 1.00 0.00 H ATOM 1786 HB2 LEU A 111 7.898 -5.405 7.536 1.00 0.00 H ATOM 1787 HB3 LEU A 111 7.883 -4.016 6.424 1.00 0.00 H ATOM 1788 HG LEU A 111 5.796 -3.195 7.558 1.00 0.00 H ATOM 1789 HD21 LEU A 111 8.197 -3.692 9.384 1.00 0.00 H ATOM 1790 HD22 LEU A 111 8.044 -2.359 8.214 1.00 0.00 H ATOM 1791 HD23 LEU A 111 6.957 -2.436 9.623 1.00 0.00 H ATOM 1792 HD11 LEU A 111 5.014 -5.378 8.424 1.00 0.00 H ATOM 1793 HD12 LEU A 111 6.420 -5.451 9.515 1.00 0.00 H ATOM 1794 HD13 LEU A 111 5.182 -4.191 9.741 1.00 0.00 H ATOM 1795 H LEU A 111 6.375 -7.112 7.497 1.00 0.00 H ATOM 1796 N LYS A 112 7.949 -6.768 5.054 1.00 1.00 N ATOM 1797 CA LYS A 112 8.769 -7.316 3.932 1.00 1.04 C ATOM 1798 C LYS A 112 8.032 -7.345 2.581 1.00 1.02 C ATOM 1799 O LYS A 112 8.279 -6.553 1.681 1.00 1.04 O ATOM 1800 CB LYS A 112 9.083 -8.756 4.335 1.00 1.06 C ATOM 1801 CG LYS A 112 9.912 -9.447 3.253 1.00 1.12 C ATOM 1802 CD LYS A 112 10.666 -10.639 3.856 1.00 1.15 C ATOM 1803 CE LYS A 112 11.148 -11.564 2.737 1.00 1.20 C ATOM 1804 NZ LYS A 112 9.974 -12.074 1.974 1.00 1.17 N ATOM 1805 HA LYS A 112 9.644 -6.683 3.786 1.00 0.00 H ATOM 1806 HB2 LYS A 112 9.644 -8.753 5.270 1.00 0.00 H ATOM 1807 HB3 LYS A 112 8.150 -9.301 4.475 1.00 0.00 H ATOM 1808 HG2 LYS A 112 9.251 -9.800 2.461 1.00 0.00 H ATOM 1809 HG3 LYS A 112 10.628 -8.738 2.838 1.00 0.00 H ATOM 1810 HD2 LYS A 112 11.524 -10.277 4.422 1.00 0.00 H ATOM 1811 HD3 LYS A 112 10.001 -11.190 4.521 1.00 0.00 H ATOM 1812 HE2 LYS A 112 11.694 -12.403 3.169 1.00 0.00 H ATOM 1813 HE3 LYS A 112 11.806 -11.011 2.066 1.00 0.00 H ATOM 1814 HZ1 LYS A 112 9.348 -12.602 2.615 1.00 0.00 H ATOM 1815 HZ2 LYS A 112 9.455 -11.272 1.562 1.00 0.00 H ATOM 1816 HZ3 LYS A 112 10.303 -12.703 1.214 1.00 0.00 H ATOM 1817 H LYS A 112 8.146 -7.093 6.022 1.00 0.00 H ATOM 1818 N SER A 113 7.159 -8.270 2.431 1.00 0.98 N ATOM 1819 CA SER A 113 6.416 -8.416 1.153 1.00 0.96 C ATOM 1820 C SER A 113 5.612 -7.142 0.831 1.00 0.92 C ATOM 1821 O SER A 113 5.792 -6.489 -0.188 1.00 0.94 O ATOM 1822 CB SER A 113 5.454 -9.577 1.380 1.00 0.92 C ATOM 1823 OG SER A 113 5.114 -9.628 2.759 1.00 0.90 O ATOM 1824 HA SER A 113 7.096 -8.587 0.319 1.00 0.00 H ATOM 1825 HB2 SER A 113 5.931 -10.512 1.085 1.00 0.00 H ATOM 1826 HB3 SER A 113 4.553 -9.428 0.786 1.00 0.00 H ATOM 1827 HG SER A 113 4.682 -8.777 3.023 1.00 0.00 H ATOM 1828 H SER A 113 6.968 -8.927 3.214 1.00 0.00 H ATOM 1829 N THR A 114 4.721 -6.818 1.706 1.00 0.88 N ATOM 1830 CA THR A 114 3.851 -5.621 1.539 1.00 0.85 C ATOM 1831 C THR A 114 4.682 -4.431 1.030 1.00 0.89 C ATOM 1832 O THR A 114 4.191 -3.573 0.325 1.00 0.89 O ATOM 1833 CB THR A 114 3.194 -5.323 2.918 1.00 0.81 C ATOM 1834 OG1 THR A 114 1.802 -5.577 2.834 1.00 0.76 O ATOM 1835 CG2 THR A 114 3.398 -3.868 3.356 1.00 0.84 C ATOM 1836 HA THR A 114 3.072 -5.800 0.798 1.00 0.00 H ATOM 1837 HB THR A 114 3.671 -5.969 3.655 1.00 0.00 H ATOM 1838 HG1 THR A 114 1.380 -5.389 3.709 1.00 0.00 H ATOM 1839 HG23 THR A 114 4.465 -3.657 3.425 1.00 0.00 H ATOM 1840 HG21 THR A 114 2.941 -3.202 2.624 1.00 0.00 H ATOM 1841 HG22 THR A 114 2.932 -3.714 4.329 1.00 0.00 H ATOM 1842 H THR A 114 4.607 -7.410 2.553 1.00 0.00 H ATOM 1843 N LEU A 115 5.922 -4.369 1.405 1.00 0.95 N ATOM 1844 CA LEU A 115 6.784 -3.246 0.986 1.00 1.00 C ATOM 1845 C LEU A 115 7.159 -3.419 -0.473 1.00 1.02 C ATOM 1846 O LEU A 115 7.209 -2.468 -1.216 1.00 1.02 O ATOM 1847 CB LEU A 115 8.060 -3.244 1.836 1.00 1.06 C ATOM 1848 CG LEU A 115 7.773 -2.714 3.250 1.00 1.04 C ATOM 1849 CD1 LEU A 115 8.973 -3.024 4.149 1.00 1.09 C ATOM 1850 CD2 LEU A 115 7.535 -1.194 3.222 1.00 1.06 C ATOM 1851 HA LEU A 115 6.250 -2.305 1.120 1.00 0.00 H ATOM 1852 HB2 LEU A 115 8.444 -4.262 1.907 1.00 0.00 H ATOM 1853 HB3 LEU A 115 8.806 -2.607 1.360 1.00 0.00 H ATOM 1854 HG LEU A 115 6.876 -3.198 3.636 1.00 0.00 H ATOM 1855 HD21 LEU A 115 8.422 -0.696 2.831 1.00 0.00 H ATOM 1856 HD22 LEU A 115 6.681 -0.973 2.582 1.00 0.00 H ATOM 1857 HD23 LEU A 115 7.334 -0.840 4.233 1.00 0.00 H ATOM 1858 HD11 LEU A 115 9.130 -4.102 4.184 1.00 0.00 H ATOM 1859 HD12 LEU A 115 9.862 -2.539 3.746 1.00 0.00 H ATOM 1860 HD13 LEU A 115 8.778 -2.651 5.155 1.00 0.00 H ATOM 1861 H LEU A 115 6.314 -5.120 2.008 1.00 0.00 H ATOM 1862 N ARG A 116 7.436 -4.615 -0.900 1.00 1.03 N ATOM 1863 CA ARG A 116 7.817 -4.771 -2.338 1.00 1.05 C ATOM 1864 C ARG A 116 6.668 -4.250 -3.221 1.00 1.01 C ATOM 1865 O ARG A 116 6.888 -3.593 -4.222 1.00 1.04 O ATOM 1866 CB ARG A 116 8.128 -6.251 -2.642 1.00 1.04 C ATOM 1867 CG ARG A 116 9.403 -6.367 -3.514 1.00 1.10 C ATOM 1868 CD ARG A 116 9.755 -7.842 -3.789 1.00 1.10 C ATOM 1869 NE ARG A 116 10.219 -7.961 -5.200 1.00 1.16 N ATOM 1870 CZ ARG A 116 10.802 -9.053 -5.615 1.00 1.17 C ATOM 1871 NH1 ARG A 116 10.956 -10.060 -4.802 1.00 1.13 N ATOM 1872 NH2 ARG A 116 11.223 -9.139 -6.847 1.00 1.23 N ATOM 1873 HA ARG A 116 8.714 -4.191 -2.552 1.00 0.00 H ATOM 1874 HB2 ARG A 116 8.284 -6.785 -1.705 1.00 0.00 H ATOM 1875 HB3 ARG A 116 7.286 -6.693 -3.175 1.00 0.00 H ATOM 1876 HG2 ARG A 116 9.233 -5.858 -4.463 1.00 0.00 H ATOM 1877 HG3 ARG A 116 10.235 -5.893 -2.993 1.00 0.00 H ATOM 1878 HD2 ARG A 116 8.874 -8.465 -3.637 1.00 0.00 H ATOM 1879 HD3 ARG A 116 10.547 -8.164 -3.113 1.00 0.00 H ATOM 1880 HE ARG A 116 10.077 -7.169 -5.859 1.00 0.00 H ATOM 1881 HH12 ARG A 116 11.421 -10.930 -5.133 1.00 0.00 H ATOM 1882 HH11 ARG A 116 10.614 -9.994 -3.822 1.00 0.00 H ATOM 1883 HH22 ARG A 116 11.687 -10.009 -7.178 1.00 0.00 H ATOM 1884 HH21 ARG A 116 11.094 -8.338 -7.498 1.00 0.00 H ATOM 1885 H ARG A 116 7.394 -5.436 -0.263 1.00 0.00 H ATOM 1886 N VAL A 117 5.446 -4.533 -2.855 1.00 0.95 N ATOM 1887 CA VAL A 117 4.292 -4.051 -3.671 1.00 0.91 C ATOM 1888 C VAL A 117 4.101 -2.553 -3.482 1.00 0.92 C ATOM 1889 O VAL A 117 3.961 -1.814 -4.436 1.00 0.94 O ATOM 1890 CB VAL A 117 3.013 -4.768 -3.245 1.00 0.85 C ATOM 1891 CG1 VAL A 117 1.826 -4.219 -4.041 1.00 0.82 C ATOM 1892 CG2 VAL A 117 3.165 -6.254 -3.525 1.00 0.85 C ATOM 1893 HA VAL A 117 4.502 -4.263 -4.719 1.00 0.00 H ATOM 1894 HB VAL A 117 2.837 -4.606 -2.181 1.00 0.00 H ATOM 1895 HG11 VAL A 117 1.724 -3.151 -3.849 1.00 0.00 H ATOM 1896 HG12 VAL A 117 1.997 -4.383 -5.105 1.00 0.00 H ATOM 1897 HG13 VAL A 117 0.915 -4.733 -3.734 1.00 0.00 H ATOM 1898 HG21 VAL A 117 3.336 -6.406 -4.591 1.00 0.00 H ATOM 1899 HG22 VAL A 117 4.012 -6.644 -2.961 1.00 0.00 H ATOM 1900 HG23 VAL A 117 2.256 -6.774 -3.224 1.00 0.00 H ATOM 1901 H VAL A 117 5.277 -5.094 -1.996 1.00 0.00 H ATOM 1902 N LEU A 118 4.088 -2.091 -2.265 1.00 0.91 N ATOM 1903 CA LEU A 118 3.896 -0.630 -2.047 1.00 0.92 C ATOM 1904 C LEU A 118 4.929 0.109 -2.892 1.00 0.98 C ATOM 1905 O LEU A 118 4.642 1.124 -3.481 1.00 1.00 O ATOM 1906 CB LEU A 118 4.057 -0.273 -0.546 1.00 0.92 C ATOM 1907 CG LEU A 118 2.698 0.055 0.109 1.00 0.86 C ATOM 1908 CD1 LEU A 118 1.992 1.219 -0.628 1.00 0.86 C ATOM 1909 CD2 LEU A 118 1.806 -1.199 0.115 1.00 0.81 C ATOM 1910 HA LEU A 118 2.889 -0.335 -2.343 1.00 0.00 H ATOM 1911 HB2 LEU A 118 4.505 -1.120 -0.027 1.00 0.00 H ATOM 1912 HB3 LEU A 118 4.712 0.594 -0.456 1.00 0.00 H ATOM 1913 HG LEU A 118 2.876 0.371 1.137 1.00 0.00 H ATOM 1914 HD21 LEU A 118 1.642 -1.531 -0.910 1.00 0.00 H ATOM 1915 HD22 LEU A 118 2.298 -1.990 0.681 1.00 0.00 H ATOM 1916 HD23 LEU A 118 0.849 -0.960 0.579 1.00 0.00 H ATOM 1917 HD11 LEU A 118 2.622 2.107 -0.589 1.00 0.00 H ATOM 1918 HD12 LEU A 118 1.821 0.939 -1.667 1.00 0.00 H ATOM 1919 HD13 LEU A 118 1.038 1.428 -0.145 1.00 0.00 H ATOM 1920 H LEU A 118 4.210 -2.733 -1.456 1.00 0.00 H ATOM 1921 N TYR A 119 6.120 -0.410 -2.985 1.00 1.03 N ATOM 1922 CA TYR A 119 7.139 0.254 -3.829 1.00 1.09 C ATOM 1923 C TYR A 119 6.566 0.350 -5.230 1.00 1.08 C ATOM 1924 O TYR A 119 6.516 1.395 -5.839 1.00 1.11 O ATOM 1925 CB TYR A 119 8.389 -0.614 -3.864 1.00 1.13 C ATOM 1926 CG TYR A 119 9.502 0.138 -4.532 1.00 1.20 C ATOM 1927 CD1 TYR A 119 10.230 1.089 -3.816 1.00 1.24 C ATOM 1928 CD2 TYR A 119 9.799 -0.118 -5.866 1.00 1.24 C ATOM 1929 CE1 TYR A 119 11.267 1.791 -4.443 1.00 1.31 C ATOM 1930 CE2 TYR A 119 10.833 0.579 -6.501 1.00 1.31 C ATOM 1931 CZ TYR A 119 11.569 1.535 -5.788 1.00 1.34 C ATOM 1932 OH TYR A 119 12.591 2.223 -6.411 1.00 1.41 O ATOM 1933 HA TYR A 119 7.392 1.240 -3.440 1.00 0.00 H ATOM 1934 HB3 TYR A 119 8.182 -1.528 -4.421 1.00 0.00 H ATOM 1935 HB2 TYR A 119 8.683 -0.870 -2.846 1.00 0.00 H ATOM 1936 HD2 TYR A 119 9.226 -0.863 -6.418 1.00 0.00 H ATOM 1937 HE2 TYR A 119 11.065 0.379 -7.547 1.00 0.00 H ATOM 1938 HE1 TYR A 119 11.838 2.535 -3.887 1.00 0.00 H ATOM 1939 HD1 TYR A 119 9.992 1.285 -2.771 1.00 0.00 H ATOM 1940 HH TYR A 119 13.002 2.854 -5.768 1.00 0.00 H ATOM 1941 H TYR A 119 6.353 -1.283 -2.471 1.00 0.00 H ATOM 1942 N ASN A 120 6.126 -0.761 -5.724 1.00 1.06 N ATOM 1943 CA ASN A 120 5.526 -0.815 -7.082 1.00 1.05 C ATOM 1944 C ASN A 120 4.545 0.367 -7.270 1.00 1.03 C ATOM 1945 O ASN A 120 4.505 1.006 -8.310 1.00 1.05 O ATOM 1946 CB ASN A 120 4.780 -2.166 -7.202 1.00 1.01 C ATOM 1947 CG ASN A 120 4.989 -2.771 -8.596 1.00 1.04 C ATOM 1948 OD1 ASN A 120 5.070 -2.057 -9.575 1.00 1.06 O ATOM 1949 ND2 ASN A 120 5.081 -4.067 -8.726 1.00 1.06 N ATOM 1950 HA ASN A 120 6.293 -0.737 -7.852 1.00 0.00 H ATOM 1951 HB2 ASN A 120 5.163 -2.856 -6.450 1.00 0.00 H ATOM 1952 HB3 ASN A 120 3.715 -2.004 -7.036 1.00 0.00 H ATOM 1953 HD22 ASN A 120 5.012 -4.680 -7.889 1.00 0.00 H ATOM 1954 HD21 ASN A 120 5.223 -4.486 -9.667 1.00 0.00 H ATOM 1955 H ASN A 120 6.193 -1.633 -5.160 1.00 0.00 H ATOM 1956 N LEU A 121 3.756 0.664 -6.271 1.00 0.99 N ATOM 1957 CA LEU A 121 2.789 1.787 -6.397 1.00 0.97 C ATOM 1958 C LEU A 121 3.540 3.111 -6.366 1.00 1.03 C ATOM 1959 O LEU A 121 3.490 3.870 -7.303 1.00 1.05 O ATOM 1960 CB LEU A 121 1.798 1.751 -5.233 1.00 0.92 C ATOM 1961 CG LEU A 121 0.649 0.787 -5.543 1.00 0.87 C ATOM 1962 CD1 LEU A 121 1.209 -0.613 -5.799 1.00 0.86 C ATOM 1963 CD2 LEU A 121 -0.310 0.738 -4.351 1.00 0.87 C ATOM 1964 HA LEU A 121 2.250 1.688 -7.339 1.00 0.00 H ATOM 1965 HB2 LEU A 121 2.313 1.419 -4.332 1.00 0.00 H ATOM 1966 HB3 LEU A 121 1.395 2.751 -5.072 1.00 0.00 H ATOM 1967 HG LEU A 121 0.116 1.133 -6.429 1.00 0.00 H ATOM 1968 HD21 LEU A 121 0.227 0.392 -3.468 1.00 0.00 H ATOM 1969 HD22 LEU A 121 -0.710 1.735 -4.167 1.00 0.00 H ATOM 1970 HD23 LEU A 121 -1.128 0.052 -4.572 1.00 0.00 H ATOM 1971 HD11 LEU A 121 1.893 -0.580 -6.647 1.00 0.00 H ATOM 1972 HD12 LEU A 121 1.742 -0.957 -4.913 1.00 0.00 H ATOM 1973 HD13 LEU A 121 0.389 -1.296 -6.019 1.00 0.00 H ATOM 1974 H LEU A 121 3.804 0.115 -5.389 1.00 0.00 H ATOM 1975 N PHE A 122 4.229 3.394 -5.286 1.00 1.05 N ATOM 1976 CA PHE A 122 4.983 4.677 -5.171 1.00 1.11 C ATOM 1977 C PHE A 122 5.645 4.976 -6.487 1.00 1.16 C ATOM 1978 O PHE A 122 5.867 6.099 -6.854 1.00 1.20 O ATOM 1979 CB PHE A 122 6.073 4.493 -4.093 1.00 1.14 C ATOM 1980 CG PHE A 122 6.240 5.742 -3.280 1.00 1.18 C ATOM 1981 CD1 PHE A 122 5.375 5.960 -2.228 1.00 1.16 C ATOM 1982 CD2 PHE A 122 7.263 6.654 -3.564 1.00 1.25 C ATOM 1983 CE1 PHE A 122 5.514 7.105 -1.429 1.00 1.20 C ATOM 1984 CE2 PHE A 122 7.407 7.802 -2.776 1.00 1.29 C ATOM 1985 CZ PHE A 122 6.532 8.027 -1.706 1.00 1.27 C ATOM 1986 HA PHE A 122 4.312 5.493 -4.905 1.00 0.00 H ATOM 1987 HB2 PHE A 122 5.788 3.673 -3.433 1.00 0.00 H ATOM 1988 HB3 PHE A 122 7.019 4.254 -4.579 1.00 0.00 H ATOM 1989 HD2 PHE A 122 7.944 6.471 -4.395 1.00 0.00 H ATOM 1990 HE2 PHE A 122 8.198 8.519 -2.995 1.00 0.00 H ATOM 1991 HZ PHE A 122 6.643 8.919 -1.089 1.00 0.00 H ATOM 1992 HE1 PHE A 122 4.832 7.277 -0.596 1.00 0.00 H ATOM 1993 HD1 PHE A 122 4.583 5.242 -2.017 1.00 0.00 H ATOM 1994 H PHE A 122 4.250 2.715 -4.499 1.00 0.00 H ATOM 1995 N THR A 123 5.938 3.960 -7.184 1.00 1.15 N ATOM 1996 CA THR A 123 6.592 4.135 -8.501 1.00 1.20 C ATOM 1997 C THR A 123 5.589 4.707 -9.496 1.00 1.18 C ATOM 1998 O THR A 123 5.850 5.684 -10.168 1.00 1.22 O ATOM 1999 CB THR A 123 7.103 2.785 -9.011 1.00 1.21 C ATOM 2000 OG1 THR A 123 7.819 2.129 -7.974 1.00 1.22 O ATOM 2001 CG2 THR A 123 8.026 3.007 -10.210 1.00 1.27 C ATOM 2002 HA THR A 123 7.433 4.821 -8.395 1.00 0.00 H ATOM 2003 HB THR A 123 6.258 2.168 -9.316 1.00 0.00 H ATOM 2004 HG1 THR A 123 7.219 1.985 -7.200 1.00 0.00 H ATOM 2005 HG23 THR A 123 7.474 3.510 -11.004 1.00 0.00 H ATOM 2006 HG21 THR A 123 8.872 3.624 -9.906 1.00 0.00 H ATOM 2007 HG22 THR A 123 8.388 2.044 -10.571 1.00 0.00 H ATOM 2008 H THR A 123 5.720 3.006 -6.833 1.00 0.00 H ATOM 2009 N LYS A 124 4.458 4.086 -9.616 1.00 1.12 N ATOM 2010 CA LYS A 124 3.449 4.553 -10.598 1.00 1.10 C ATOM 2011 C LYS A 124 2.711 5.827 -10.167 1.00 1.10 C ATOM 2012 O LYS A 124 2.130 6.498 -10.997 1.00 1.11 O ATOM 2013 CB LYS A 124 2.432 3.445 -10.755 1.00 1.04 C ATOM 2014 CG LYS A 124 3.058 2.276 -11.498 1.00 1.04 C ATOM 2015 CD LYS A 124 2.012 1.155 -11.630 1.00 0.99 C ATOM 2016 CE LYS A 124 1.985 0.675 -13.072 1.00 0.98 C ATOM 2017 NZ LYS A 124 0.904 -0.326 -13.257 1.00 0.92 N ATOM 2018 HA LYS A 124 3.972 4.793 -11.524 1.00 0.00 H ATOM 2019 HB2 LYS A 124 2.102 3.114 -9.770 1.00 0.00 H ATOM 2020 HB3 LYS A 124 1.576 3.816 -11.318 1.00 0.00 H ATOM 2021 HG2 LYS A 124 3.376 2.599 -12.489 1.00 0.00 H ATOM 2022 HG3 LYS A 124 3.921 1.909 -10.943 1.00 0.00 H ATOM 2023 HD2 LYS A 124 2.278 0.327 -10.973 1.00 0.00 H ATOM 2024 HD3 LYS A 124 1.029 1.536 -11.352 1.00 0.00 H ATOM 2025 HE2 LYS A 124 2.944 0.220 -13.319 1.00 0.00 H ATOM 2026 HE3 LYS A 124 1.807 1.524 -13.732 1.00 0.00 H ATOM 2027 HZ1 LYS A 124 1.074 -1.138 -12.630 1.00 0.00 H ATOM 2028 HZ2 LYS A 124 -0.012 0.108 -13.024 1.00 0.00 H ATOM 2029 HZ3 LYS A 124 0.896 -0.647 -14.246 1.00 0.00 H ATOM 2030 H LYS A 124 4.257 3.257 -9.021 1.00 0.00 H ATOM 2031 N TYR A 125 2.680 6.158 -8.902 1.00 1.10 N ATOM 2032 CA TYR A 125 1.919 7.377 -8.472 1.00 1.11 C ATOM 2033 C TYR A 125 2.884 8.517 -8.157 1.00 1.17 C ATOM 2034 O TYR A 125 2.509 9.672 -8.114 1.00 1.20 O ATOM 2035 CB TYR A 125 1.086 7.021 -7.242 1.00 1.06 C ATOM 2036 CG TYR A 125 -0.116 6.189 -7.671 1.00 1.00 C ATOM 2037 CD1 TYR A 125 0.061 4.900 -8.209 1.00 0.97 C ATOM 2038 CD2 TYR A 125 -1.411 6.707 -7.530 1.00 0.99 C ATOM 2039 CE1 TYR A 125 -1.051 4.144 -8.598 1.00 0.92 C ATOM 2040 CE2 TYR A 125 -2.519 5.947 -7.920 1.00 0.94 C ATOM 2041 CZ TYR A 125 -2.340 4.667 -8.453 1.00 0.90 C ATOM 2042 OH TYR A 125 -3.435 3.919 -8.836 1.00 0.86 O ATOM 2043 HA TYR A 125 1.261 7.708 -9.275 1.00 0.00 H ATOM 2044 HB3 TYR A 125 0.742 7.935 -6.758 1.00 0.00 H ATOM 2045 HB2 TYR A 125 1.695 6.448 -6.543 1.00 0.00 H ATOM 2046 HD2 TYR A 125 -1.555 7.705 -7.115 1.00 0.00 H ATOM 2047 HE2 TYR A 125 -3.524 6.354 -7.808 1.00 0.00 H ATOM 2048 HE1 TYR A 125 -0.912 3.146 -9.014 1.00 0.00 H ATOM 2049 HD1 TYR A 125 1.065 4.490 -8.323 1.00 0.00 H ATOM 2050 HH TYR A 125 -3.130 3.046 -9.189 1.00 0.00 H ATOM 2051 H TYR A 125 3.180 5.579 -8.198 1.00 0.00 H ATOM 2052 N ARG A 126 4.122 8.200 -7.950 1.00 1.20 N ATOM 2053 CA ARG A 126 5.132 9.242 -7.651 1.00 1.27 C ATOM 2054 C ARG A 126 5.025 10.386 -8.670 1.00 1.31 C ATOM 2055 O ARG A 126 5.223 11.540 -8.344 1.00 1.35 O ATOM 2056 CB ARG A 126 6.521 8.562 -7.701 1.00 1.31 C ATOM 2057 CG ARG A 126 7.586 9.502 -8.274 1.00 1.38 C ATOM 2058 CD ARG A 126 8.998 8.880 -8.145 1.00 1.42 C ATOM 2059 NE ARG A 126 9.969 9.913 -7.657 1.00 1.49 N ATOM 2060 CZ ARG A 126 10.006 11.113 -8.179 1.00 1.52 C ATOM 2061 NH1 ARG A 126 9.264 11.409 -9.210 1.00 1.50 N ATOM 2062 NH2 ARG A 126 10.815 12.010 -7.686 1.00 1.59 N ATOM 2063 HA ARG A 126 4.971 9.679 -6.665 1.00 0.00 H ATOM 2064 HB2 ARG A 126 6.810 8.272 -6.691 1.00 0.00 H ATOM 2065 HB3 ARG A 126 6.458 7.673 -8.329 1.00 0.00 H ATOM 2066 HG2 ARG A 126 7.371 9.686 -9.327 1.00 0.00 H ATOM 2067 HG3 ARG A 126 7.560 10.446 -7.729 1.00 0.00 H ATOM 2068 HD2 ARG A 126 9.321 8.511 -9.119 1.00 0.00 H ATOM 2069 HD3 ARG A 126 8.965 8.052 -7.437 1.00 0.00 H ATOM 2070 HE ARG A 126 10.626 9.671 -6.888 1.00 0.00 H ATOM 2071 HH12 ARG A 126 9.299 12.365 -9.619 1.00 0.00 H ATOM 2072 HH11 ARG A 126 8.637 10.689 -9.623 1.00 0.00 H ATOM 2073 HH22 ARG A 126 10.847 12.964 -8.098 1.00 0.00 H ATOM 2074 HH21 ARG A 126 11.428 11.771 -6.881 1.00 0.00 H ATOM 2075 H ARG A 126 4.411 7.202 -7.994 1.00 0.00 H ATOM 2076 N ASN A 127 4.744 10.068 -9.901 1.00 1.30 N ATOM 2077 CA ASN A 127 4.655 11.114 -10.962 1.00 1.33 C ATOM 2078 C ASN A 127 3.190 11.422 -11.247 1.00 1.29 C ATOM 2079 O ASN A 127 2.834 12.500 -11.680 1.00 1.31 O ATOM 2080 CB ASN A 127 5.343 10.560 -12.228 1.00 1.35 C ATOM 2081 CG ASN A 127 6.746 11.161 -12.388 1.00 1.43 C ATOM 2082 OD1 ASN A 127 6.890 12.304 -12.775 1.00 1.46 O ATOM 2083 ND2 ASN A 127 7.790 10.432 -12.103 1.00 1.46 N ATOM 2084 HA ASN A 127 5.145 12.035 -10.644 1.00 0.00 H ATOM 2085 HB2 ASN A 127 5.425 9.476 -12.146 1.00 0.00 H ATOM 2086 HB3 ASN A 127 4.743 10.813 -13.102 1.00 0.00 H ATOM 2087 HD22 ASN A 127 7.667 9.454 -11.772 1.00 0.00 H ATOM 2088 HD21 ASN A 127 8.746 10.829 -12.207 1.00 0.00 H ATOM 2089 H ASN A 127 4.579 9.071 -10.148 1.00 0.00 H ATOM 2090 N VAL A 128 2.351 10.472 -11.007 1.00 1.23 N ATOM 2091 CA VAL A 128 0.894 10.655 -11.251 1.00 1.18 C ATOM 2092 C VAL A 128 0.210 10.982 -9.928 1.00 1.15 C ATOM 2093 O VAL A 128 0.372 10.305 -8.933 1.00 1.11 O ATOM 2094 CB VAL A 128 0.332 9.360 -11.859 1.00 1.14 C ATOM 2095 CG1 VAL A 128 -1.193 9.304 -11.696 1.00 1.09 C ATOM 2096 CG2 VAL A 128 0.678 9.307 -13.350 1.00 1.17 C ATOM 2097 HA VAL A 128 0.714 11.475 -11.946 1.00 0.00 H ATOM 2098 HB VAL A 128 0.775 8.510 -11.339 1.00 0.00 H ATOM 2099 HG11 VAL A 128 -1.445 9.336 -10.636 1.00 0.00 H ATOM 2100 HG12 VAL A 128 -1.643 10.157 -12.203 1.00 0.00 H ATOM 2101 HG13 VAL A 128 -1.570 8.379 -12.133 1.00 0.00 H ATOM 2102 HG21 VAL A 128 0.239 10.168 -13.854 1.00 0.00 H ATOM 2103 HG22 VAL A 128 1.761 9.327 -13.471 1.00 0.00 H ATOM 2104 HG23 VAL A 128 0.280 8.389 -13.782 1.00 0.00 H ATOM 2105 H VAL A 128 2.698 9.564 -10.637 1.00 0.00 H ATOM 2106 N GLU A 129 -0.539 12.037 -9.928 1.00 1.19 N ATOM 2107 CA GLU A 129 -1.243 12.480 -8.714 1.00 1.17 C ATOM 2108 C GLU A 129 -2.107 11.349 -8.157 1.00 1.11 C ATOM 2109 O GLU A 129 -1.986 10.243 -8.654 1.00 1.08 O ATOM 2110 CB GLU A 129 -2.102 13.666 -9.104 1.00 1.21 C ATOM 2111 CG GLU A 129 -1.183 14.770 -9.629 1.00 1.28 C ATOM 2112 CD GLU A 129 -0.484 15.459 -8.455 1.00 1.30 C ATOM 2113 OE1 GLU A 129 -1.178 16.041 -7.637 1.00 1.30 O ATOM 2114 OE2 GLU A 129 0.732 15.394 -8.393 1.00 1.32 O ATOM 2115 HA GLU A 129 -0.534 12.760 -7.935 1.00 0.00 H ATOM 2116 OXT GLU A 129 -2.872 11.609 -7.243 1.00 1.08 O ATOM 2117 HB2 GLU A 129 -2.807 13.372 -9.881 1.00 0.00 H ATOM 2118 HB3 GLU A 129 -2.652 14.026 -8.234 1.00 0.00 H ATOM 2119 HG2 GLU A 129 -0.435 14.335 -10.292 1.00 0.00 H ATOM 2120 HG3 GLU A 129 -1.773 15.502 -10.180 1.00 0.00 H ATOM 2121 H GLU A 129 -0.646 12.584 -10.806 1.00 0.00 H TER 2122 GLU A 129 HETATM 2123 N ASP A 1 17.874 -2.623 -3.793 1.00 0.24 N HETATM 2124 CA ASP A 1 17.565 -1.228 -4.217 1.00 0.08 C HETATM 2125 C ASP A 1 17.679 -0.292 -3.012 1.00 0.23 C HETATM 2126 O ASP A 1 16.944 0.667 -2.886 1.00 -0.39 O HETATM 2127 N ASP A 1 18.594 -0.565 -2.123 1.00 -0.26 N HETATM 2128 CA ASP A 1 18.755 0.306 -0.924 1.00 0.13 C HETATM 2129 C ASP A 1 19.268 1.681 -1.357 1.00 0.20 C HETATM 2130 O ASP A 1 18.601 2.686 -1.208 1.00 -0.39 O HETATM 2131 N ASP A 1 20.457 1.723 -1.880 1.00 -0.26 N HETATM 2132 CA ASP A 1 21.049 3.019 -2.319 1.00 0.14 C HETATM 2133 C ASP A 1 20.013 3.849 -3.083 1.00 0.21 C HETATM 2134 O ASP A 1 19.973 5.054 -2.967 1.00 -0.39 O HETATM 2135 N ASP A 1 19.186 3.223 -3.873 1.00 -0.26 N HETATM 2136 CA ASP A 1 18.171 3.995 -4.651 1.00 0.13 C HETATM 2137 C ASP A 1 17.052 4.493 -3.728 1.00 0.20 C HETATM 2138 O ASP A 1 16.667 5.646 -3.770 1.00 -0.39 O HETATM 2139 N ASP A 1 16.520 3.633 -2.905 1.00 -0.26 N HETATM 2140 CA ASP A 1 15.421 4.047 -1.991 1.00 0.13 C HETATM 2141 C ASP A 1 15.795 5.351 -1.271 1.00 0.20 C HETATM 2142 O ASP A 1 14.969 6.224 -1.084 1.00 -0.39 O HETATM 2143 N ASP A 1 17.024 5.488 -0.853 1.00 -0.26 N HETATM 2144 CA ASP A 1 17.430 6.731 -0.130 1.00 0.13 C HETATM 2145 C ASP A 1 17.812 7.817 -1.140 1.00 0.20 C HETATM 2146 O ASP A 1 17.560 8.987 -0.930 1.00 -0.39 O HETATM 2147 N ASP A 1 18.411 7.442 -2.234 1.00 -0.26 N HETATM 2148 CA ASP A 1 18.800 8.455 -3.254 1.00 0.13 C HETATM 2149 C ASP A 1 17.550 9.199 -3.722 1.00 0.20 C HETATM 2150 O ASP A 1 17.631 10.256 -4.316 1.00 -0.39 O HETATM 2151 N ASP A 1 16.391 8.651 -3.452 1.00 -0.26 N HETATM 2152 CA ASP A 1 15.114 9.311 -3.870 1.00 0.14 C HETATM 2153 C ASP A 1 14.405 9.879 -2.637 1.00 0.21 C HETATM 2154 O ASP A 1 13.670 10.843 -2.721 1.00 -0.39 O HETATM 2155 N ASP A 1 14.612 9.284 -1.492 1.00 -0.26 N HETATM 2156 CA ASP A 1 13.941 9.786 -0.256 1.00 0.13 C HETATM 2157 C ASP A 1 14.688 11.011 0.288 1.00 0.20 C HETATM 2158 O ASP A 1 14.247 11.654 1.219 1.00 -0.39 O HETATM 2159 N ASP A 1 15.817 11.340 -0.281 1.00 -0.27 N HETATM 2160 CA ASP A 1 16.589 12.516 0.205 1.00 0.10 C HETATM 2161 C ASP A 1 15.647 13.709 0.420 1.00 0.06 C HETATM 2162 O ASP A 1 15.941 14.523 1.280 1.00 -0.57 O HETATM 2163 OXT ASP A 1 14.651 13.786 -0.280 1.00 -0.57 O HETATM 2164 CB ASP A 1 17.686 12.875 -0.809 1.00 -0.01 C HETATM 2165 CG ASP A 1 17.288 12.330 -2.161 1.00 0.00 C HETATM 2166 CD ASP A 1 18.108 12.996 -3.268 1.00 0.04 C HETATM 2167 OE1 ASP A 1 19.053 13.694 -2.941 1.00 -0.57 O HETATM 2168 OE2 ASP A 1 17.777 12.794 -4.425 1.00 -0.57 O HETATM 2169 H73 ASP A 1 16.220 12.529 -2.332 1.00 0.04 H HETATM 2170 H74 ASP A 1 17.466 11.245 -2.181 1.00 0.04 H HETATM 2171 H71 ASP A 1 18.641 12.428 -0.496 1.00 0.03 H HETATM 2172 H72 ASP A 1 17.794 13.968 -0.867 1.00 0.03 H HETATM 2173 H70 ASP A 1 17.062 12.260 1.165 1.00 0.07 H HETATM 2174 H69 ASP A 1 16.164 10.799 -1.047 1.00 0.19 H HETATM 2175 CB ASP A 1 13.935 8.670 0.801 1.00 -0.01 C HETATM 2176 CG ASP A 1 12.864 8.955 1.877 1.00 -0.04 C HETATM 2177 CD1 ASP A 1 11.495 8.438 1.415 1.00 -0.06 C HETATM 2178 H63 ASP A 1 10.743 8.648 2.190 1.00 0.02 H HETATM 2179 H64 ASP A 1 11.552 7.353 1.243 1.00 0.02 H HETATM 2180 H65 ASP A 1 11.209 8.943 0.481 1.00 0.02 H HETATM 2181 CD2 ASP A 1 13.244 8.246 3.182 1.00 -0.06 C HETATM 2182 H66 ASP A 1 14.225 8.608 3.524 1.00 0.02 H HETATM 2183 H67 ASP A 1 13.294 7.161 3.009 1.00 0.02 H HETATM 2184 H68 ASP A 1 12.486 8.460 3.950 1.00 0.02 H HETATM 2185 H62 ASP A 1 12.805 10.040 2.051 1.00 0.03 H HETATM 2186 H60 ASP A 1 14.924 8.618 1.279 1.00 0.03 H HETATM 2187 H61 ASP A 1 13.712 7.710 0.313 1.00 0.03 H HETATM 2188 H59 ASP A 1 12.905 10.070 -0.493 1.00 0.08 H HETATM 2189 H58 ASP A 1 15.220 8.492 -1.444 1.00 0.19 H HETATM 2190 CB ASP A 1 14.210 8.274 -4.540 1.00 0.04 C HETATM 2191 CG ASP A 1 13.046 8.980 -5.237 1.00 0.04 C HETATM 2192 OD1 ASP A 1 12.534 9.934 -4.673 1.00 -0.57 O HETATM 2193 OD2 ASP A 1 12.685 8.555 -6.322 1.00 -0.57 O HETATM 2194 H56 ASP A 1 13.816 7.585 -3.778 1.00 0.05 H HETATM 2195 H57 ASP A 1 14.791 7.707 -5.282 1.00 0.05 H HETATM 2196 H55 ASP A 1 15.332 10.124 -4.578 1.00 0.08 H HETATM 2197 H54 ASP A 1 16.359 7.781 -2.960 1.00 0.19 H HETATM 2198 CB ASP A 1 19.455 7.758 -4.448 1.00 -0.02 C HETATM 2199 H51 ASP A 1 19.741 8.509 -5.199 1.00 0.03 H HETATM 2200 H52 ASP A 1 18.744 7.047 -4.893 1.00 0.03 H HETATM 2201 H53 ASP A 1 20.351 7.217 -4.110 1.00 0.03 H HETATM 2202 H50 ASP A 1 19.510 9.169 -2.811 1.00 0.08 H HETATM 2203 H49 ASP A 1 18.610 6.474 -2.389 1.00 0.19 H HETATM 2204 CB ASP A 1 18.623 6.411 0.779 1.00 -0.01 C HETATM 2205 CG ASP A 1 18.943 7.613 1.693 1.00 -0.04 C HETATM 2206 CD1 ASP A 1 18.006 7.629 2.909 1.00 -0.06 C HETATM 2207 H43 ASP A 1 18.249 8.491 3.548 1.00 0.02 H HETATM 2208 H44 ASP A 1 18.135 6.700 3.483 1.00 0.02 H HETATM 2209 H45 ASP A 1 16.963 7.708 2.567 1.00 0.02 H HETATM 2210 CD2 ASP A 1 20.390 7.509 2.187 1.00 -0.06 C HETATM 2211 H46 ASP A 1 21.072 7.497 1.324 1.00 0.02 H HETATM 2212 H47 ASP A 1 20.514 6.582 2.766 1.00 0.02 H HETATM 2213 H48 ASP A 1 20.622 8.374 2.826 1.00 0.02 H HETATM 2214 H42 ASP A 1 18.815 8.545 1.123 1.00 0.03 H HETATM 2215 H40 ASP A 1 19.502 6.185 0.157 1.00 0.03 H HETATM 2216 H41 ASP A 1 18.380 5.537 1.402 1.00 0.03 H HETATM 2217 H39 ASP A 1 16.590 7.088 0.484 1.00 0.08 H HETATM 2218 H38 ASP A 1 17.692 4.763 -1.016 1.00 0.19 H HETATM 2219 CB ASP A 1 15.196 2.926 -0.960 1.00 -0.01 C HETATM 2220 CG ASP A 1 14.234 1.857 -1.524 1.00 -0.04 C HETATM 2221 CD1 ASP A 1 14.488 0.515 -0.830 1.00 -0.06 C HETATM 2222 H32 ASP A 1 13.801 -0.243 -1.235 1.00 0.02 H HETATM 2223 H33 ASP A 1 14.318 0.624 0.251 1.00 0.02 H HETATM 2224 H34 ASP A 1 15.527 0.201 -1.008 1.00 0.02 H HETATM 2225 CD2 ASP A 1 12.779 2.276 -1.274 1.00 -0.06 C HETATM 2226 H35 ASP A 1 12.585 3.239 -1.768 1.00 0.02 H HETATM 2227 H36 ASP A 1 12.607 2.378 -0.192 1.00 0.02 H HETATM 2228 H37 ASP A 1 12.102 1.511 -1.682 1.00 0.02 H HETATM 2229 H31 ASP A 1 14.404 1.750 -2.606 1.00 0.03 H HETATM 2230 H29 ASP A 1 14.762 3.357 -0.046 1.00 0.03 H HETATM 2231 H30 ASP A 1 16.161 2.455 -0.721 1.00 0.03 H HETATM 2232 H28 ASP A 1 14.500 4.205 -2.571 1.00 0.08 H HETATM 2233 H27 ASP A 1 16.852 2.690 -2.888 1.00 0.19 H HETATM 2234 CB ASP A 1 17.575 3.093 -5.733 1.00 -0.02 C HETATM 2235 H24 ASP A 1 16.827 3.657 -6.309 1.00 0.03 H HETATM 2236 H25 ASP A 1 17.095 2.223 -5.261 1.00 0.03 H HETATM 2237 H26 ASP A 1 18.375 2.751 -6.407 1.00 0.03 H HETATM 2238 H23 ASP A 1 18.659 4.859 -5.124 1.00 0.08 H HETATM 2239 H22 ASP A 1 19.231 2.228 -3.958 1.00 0.19 H HETATM 2240 CB ASP A 1 22.247 2.744 -3.229 1.00 0.04 C HETATM 2241 CG ASP A 1 22.807 4.069 -3.752 1.00 0.04 C HETATM 2242 OD1 ASP A 1 23.545 4.707 -3.021 1.00 -0.57 O HETATM 2243 OD2 ASP A 1 22.488 4.421 -4.876 1.00 -0.57 O HETATM 2244 H20 ASP A 1 21.927 2.121 -4.077 1.00 0.05 H HETATM 2245 H21 ASP A 1 23.026 2.216 -2.659 1.00 0.05 H HETATM 2246 H19 ASP A 1 21.383 3.582 -1.435 1.00 0.08 H HETATM 2247 H18 ASP A 1 20.980 0.878 -1.989 1.00 0.19 H HETATM 2248 CB ASP A 1 19.762 -0.346 0.043 1.00 -0.01 C HETATM 2249 CG ASP A 1 19.510 0.120 1.490 1.00 -0.04 C HETATM 2250 CD1 ASP A 1 19.462 1.650 1.547 1.00 -0.06 C HETATM 2251 H12 ASP A 1 19.282 1.973 2.583 1.00 0.02 H HETATM 2252 H13 ASP A 1 18.649 2.016 0.902 1.00 0.02 H HETATM 2253 H14 ASP A 1 20.421 2.060 1.197 1.00 0.02 H HETATM 2254 CD2 ASP A 1 18.186 -0.463 2.026 1.00 -0.06 C HETATM 2255 H15 ASP A 1 18.225 -1.562 1.983 1.00 0.02 H HETATM 2256 H16 ASP A 1 17.350 -0.102 1.409 1.00 0.02 H HETATM 2257 H17 ASP A 1 18.039 -0.142 3.068 1.00 0.02 H HETATM 2258 H11 ASP A 1 20.336 -0.235 2.124 1.00 0.03 H HETATM 2259 H9 ASP A 1 20.783 -0.064 -0.254 1.00 0.03 H HETATM 2260 H10 ASP A 1 19.655 -1.440 -0.008 1.00 0.03 H HETATM 2261 H8 ASP A 1 17.784 0.420 -0.420 1.00 0.08 H HETATM 2262 H7 ASP A 1 19.188 -1.360 -2.246 1.00 0.19 H HETATM 2263 CB ASP A 1 16.142 -1.169 -4.775 1.00 0.06 C HETATM 2264 CG ASP A 1 15.153 -1.616 -3.697 1.00 0.04 C HETATM 2265 OD1 ASP A 1 15.144 -2.794 -3.380 1.00 -0.57 O HETATM 2266 OD2 ASP A 1 14.421 -0.772 -3.207 1.00 -0.57 O HETATM 2267 H5 ASP A 1 16.062 -1.836 -5.646 1.00 0.05 H HETATM 2268 H6 ASP A 1 15.910 -0.138 -5.080 1.00 0.05 H HETATM 2269 H4 ASP A 1 18.277 -0.914 -4.994 1.00 0.11 H HETATM 2270 H1 ASP A 1 17.799 -3.240 -4.587 1.00 0.20 H HETATM 2271 H2 ASP A 1 17.221 -2.910 -3.081 1.00 0.20 H HETATM 2272 H3 ASP A 1 18.811 -2.662 -3.424 1.00 0.20 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 2123 2124 2270 2271 2272 CONECT 2124 2123 2125 2263 2269 CONECT 2125 2124 2126 2127 CONECT 2126 2125 CONECT 2127 2125 2128 2262 CONECT 2128 2127 2129 2248 2261 CONECT 2129 2128 2130 2131 CONECT 2130 2129 CONECT 2131 2129 2132 2247 CONECT 2132 2131 2133 2240 2246 CONECT 2133 2132 2134 2135 CONECT 2134 2133 CONECT 2135 2133 2136 2239 CONECT 2136 2135 2137 2234 2238 CONECT 2137 2136 2138 2139 CONECT 2138 2137 CONECT 2139 2137 2140 2233 CONECT 2140 2139 2141 2219 2232 CONECT 2141 2140 2142 2143 CONECT 2142 2141 CONECT 2143 2141 2144 2218 CONECT 2144 2143 2145 2204 2217 CONECT 2145 2144 2146 2147 CONECT 2146 2145 CONECT 2147 2145 2148 2203 CONECT 2148 2147 2149 2198 2202 CONECT 2149 2148 2150 2151 CONECT 2150 2149 CONECT 2151 2149 2152 2197 CONECT 2152 2151 2153 2190 2196 CONECT 2153 2152 2154 2155 CONECT 2154 2153 CONECT 2155 2153 2156 2189 CONECT 2156 2155 2157 2175 2188 CONECT 2157 2156 2158 2159 CONECT 2158 2157 CONECT 2159 2157 2160 2174 CONECT 2160 2159 2161 2164 2173 CONECT 2161 2160 2162 2163 CONECT 2162 2161 CONECT 2163 2161 CONECT 2164 2160 2165 2171 2172 CONECT 2165 2164 2166 2169 2170 CONECT 2166 2165 2167 2168 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2165 CONECT 2170 2165 CONECT 2171 2164 CONECT 2172 2164 CONECT 2173 2160 CONECT 2174 2159 CONECT 2175 2156 2176 2186 2187 CONECT 2176 2175 2177 2181 2185 CONECT 2177 2176 2178 2179 2180 CONECT 2178 2177 CONECT 2179 2177 CONECT 2180 2177 CONECT 2181 2176 2182 2183 2184 CONECT 2182 2181 CONECT 2183 2181 CONECT 2184 2181 CONECT 2185 2176 CONECT 2186 2175 CONECT 2187 2175 CONECT 2188 2156 CONECT 2189 2155 CONECT 2190 2152 2191 2194 2195 CONECT 2191 2190 2192 2193 CONECT 2192 2191 CONECT 2193 2191 CONECT 2194 2190 CONECT 2195 2190 CONECT 2196 2152 CONECT 2197 2151 CONECT 2198 2148 2199 2200 2201 CONECT 2199 2198 CONECT 2200 2198 CONECT 2201 2198 CONECT 2202 2148 CONECT 2203 2147 CONECT 2204 2144 2205 2215 2216 CONECT 2205 2204 2206 2210 2214 CONECT 2206 2205 2207 2208 2209 CONECT 2207 2206 CONECT 2208 2206 CONECT 2209 2206 CONECT 2210 2205 2211 2212 2213 CONECT 2211 2210 CONECT 2212 2210 CONECT 2213 2210 CONECT 2214 2205 CONECT 2215 2204 CONECT 2216 2204 CONECT 2217 2144 CONECT 2218 2143 CONECT 2219 2140 2220 2230 2231 CONECT 2220 2219 2221 2225 2229 CONECT 2221 2220 2222 2223 2224 CONECT 2222 2221 CONECT 2223 2221 CONECT 2224 2221 CONECT 2225 2220 2226 2227 2228 CONECT 2226 2225 CONECT 2227 2225 CONECT 2228 2225 CONECT 2229 2220 CONECT 2230 2219 CONECT 2231 2219 CONECT 2232 2140 CONECT 2233 2139 CONECT 2234 2136 2235 2236 2237 CONECT 2235 2234 CONECT 2236 2234 CONECT 2237 2234 CONECT 2238 2136 CONECT 2239 2135 CONECT 2240 2132 2241 2244 2245 CONECT 2241 2240 2242 2243 CONECT 2242 2241 CONECT 2243 2241 CONECT 2244 2240 CONECT 2245 2240 CONECT 2246 2132 CONECT 2247 2131 CONECT 2248 2128 2249 2259 2260 CONECT 2249 2248 2250 2254 2258 CONECT 2250 2249 2251 2252 2253 CONECT 2251 2250 CONECT 2252 2250 CONECT 2253 2250 CONECT 2254 2249 2255 2256 2257 CONECT 2255 2254 CONECT 2256 2254 CONECT 2257 2254 CONECT 2258 2249 CONECT 2259 2248 CONECT 2260 2248 CONECT 2261 2128 CONECT 2262 2127 CONECT 2263 2124 2264 2267 2268 CONECT 2264 2263 2265 2266 CONECT 2265 2264 CONECT 2266 2264 CONECT 2267 2263 CONECT 2268 2263 CONECT 2269 2124 CONECT 2270 2123 CONECT 2271 2123 CONECT 2272 2123 MASTER 0 0 0 0 0 0 0 0 2271 1 154 10 END
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RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2k2r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Alpha-parvin
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.3mM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 21113-21119
Ligand Properties
Formula
C
4
7
H
7
9
N
1
0
O
1
9
Molecular Weight
1088.190
Exact Mass
1087.550
No. of atoms
155
No. of bonds
154
Polar Surface Area
476.04
LOGP Value
3.54 (
Computed with XLOGP3
)
0.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 0
Canonical SMILES
OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(C)C)CC(=O)O)C)CC(C)C)CC(C)C)C)CC(=O)O)CC(C)C
InChI String
InChI=1S/C47H78N10O19/c1-20(2)13-28(41(69)49-25(10)39(67)53-33(19-37(64)65)46(74)56-31(16-23(7)8)43(71)51-27(47(75)76)11-12-34(58)59)55-44(72)29(14-21(3)4)52-38(66)24(9)50-42(70)32(18-36(62)63)57-45(73)30(15-22(5)6)54-40(68)26(48)17-35(60)61/h20-33H,11-19,48H2,1-10H3,(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,67)(H,54,68)(H,55,72)(H,56,74)(H,57,73)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,75,76)/p+1/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9NVD7
P49023
Entrez Gene ID
NCBI Entrez Gene ID:
55742
5829
ASD
Information of known allosteric effects of PDB entries
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