Browse entries in the PDBbind-CN Database
HEADER 4URO_COMPLEX COMPND 4URO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 80 GLU ALA ALA ARG LYS ARG PRO GLY MET TYR ILE GLY SER SEQRES 2 A 80 THR SER GLU ARG GLY LEU HIS HIS LEU VAL TRP GLU ILE SEQRES 3 A 80 VAL ASP ASN SER ILE ASP GLU ALA LEU ALA GLY TYR ALA SEQRES 4 A 80 ASN GLN ILE GLU VAL VAL ILE GLU LYS ASP ASN TRP ILE SEQRES 5 A 80 LYS VAL THR ASP ASN GLY ARG GLY ILE PRO VAL ASP ILE SEQRES 6 A 80 GLN GLU LYS MET GLY ARG PRO ALA VAL GLU VAL ILE LEU SEQRES 7 A 80 THR VAL SEQRES 1 A 107 GLY VAL GLY SER SER VAL VAL ASN ALA LEU SER GLN ASP SEQRES 2 A 107 LEU GLU VAL TYR VAL HIS ARG ASN GLU THR ILE TYR HIS SEQRES 3 A 107 GLN ALA TYR LYS LYS GLY VAL PRO GLN PHE ASP LEU LYS SEQRES 4 A 107 GLU VAL GLY THR THR ASP LYS THR GLY THR VAL ILE ARG SEQRES 5 A 107 PHE LYS ALA ASP GLY GLU ILE PHE THR GLU THR THR VAL SEQRES 6 A 107 TYR ASN TYR GLU THR LEU GLN GLN ARG ILE ARG GLU LEU SEQRES 7 A 107 ALA PHE LEU ASN LYS GLY ILE GLN ILE THR LEU ARG ASP SEQRES 8 A 107 GLU ARG ASP GLU GLU ASN VAL ARG GLU ASP SER TYR HIS SEQRES 9 A 107 TYR GLU GLY HET NOV A 209 80 ATOM 1 N GLU A 26 -3.113 -21.038 -24.463 1.00 86.95 N ATOM 2 CA GLU A 26 -2.544 -22.373 -24.636 1.00 86.58 C ATOM 3 C GLU A 26 -1.036 -22.324 -24.909 1.00 89.81 C ATOM 4 O GLU A 26 -0.387 -23.373 -24.970 1.00 88.72 O ATOM 5 CB GLU A 26 -3.290 -23.150 -25.732 1.00 88.00 C ATOM 6 HN3 GLU A 26 -2.957 -20.481 -25.327 1.00 0.00 H ATOM 7 HN2 GLU A 26 -2.652 -20.568 -23.658 1.00 0.00 H ATOM 8 HN1 GLU A 26 -4.134 -21.118 -24.281 1.00 0.00 H ATOM 9 N ALA A 27 -0.482 -21.098 -25.056 1.00 86.67 N ATOM 10 CA ALA A 27 0.942 -20.846 -25.294 1.00 86.22 C ATOM 11 C ALA A 27 1.747 -21.225 -24.040 1.00 89.85 C ATOM 12 O ALA A 27 2.738 -21.958 -24.143 1.00 89.60 O ATOM 13 CB ALA A 27 1.158 -19.381 -25.645 1.00 86.81 C ATOM 14 H ALA A 27 -1.113 -20.274 -24.996 1.00 0.00 H ATOM 15 N ALA A 28 1.291 -20.752 -22.858 1.00 85.94 N ATOM 16 CA ALA A 28 1.902 -21.014 -21.554 1.00 85.53 C ATOM 17 C ALA A 28 1.554 -22.412 -21.036 1.00 90.13 C ATOM 18 O ALA A 28 2.384 -23.042 -20.388 1.00 89.91 O ATOM 19 CB ALA A 28 1.456 -19.964 -20.550 1.00 85.99 C ATOM 20 H ALA A 28 0.439 -20.155 -22.877 1.00 0.00 H ATOM 21 N ARG A 29 0.331 -22.890 -21.316 1.00 86.86 N ATOM 22 CA ARG A 29 -0.163 -24.197 -20.881 1.00 86.71 C ATOM 23 C ARG A 29 0.571 -25.376 -21.530 1.00 93.10 C ATOM 24 O ARG A 29 0.972 -26.291 -20.811 1.00 92.80 O ATOM 25 CB ARG A 29 -1.674 -24.310 -21.108 1.00 84.08 C ATOM 26 CG ARG A 29 -2.489 -23.277 -20.342 1.00 86.70 C ATOM 27 CD ARG A 29 -3.967 -23.616 -20.314 1.00 87.28 C ATOM 28 NE ARG A 29 -4.212 -24.977 -19.827 1.00 91.15 N ATOM 29 CZ ARG A 29 -4.257 -25.330 -18.545 1.00 98.97 C ATOM 30 NH1 ARG A 29 -4.081 -24.423 -17.592 1.00 73.03 N ATOM 31 NH2 ARG A 29 -4.482 -26.593 -18.205 1.00 88.66 N ATOM 32 HE ARG A 29 -4.362 -25.722 -20.537 1.00 0.00 H ATOM 33 HH12 ARG A 29 -4.117 -24.706 -16.592 1.00 0.00 H ATOM 34 HH11 ARG A 29 -3.907 -23.430 -17.845 1.00 0.00 H ATOM 35 HH22 ARG A 29 -4.516 -26.863 -17.201 1.00 0.00 H ATOM 36 HH21 ARG A 29 -4.624 -27.313 -18.942 1.00 0.00 H ATOM 37 H ARG A 29 -0.307 -22.292 -21.879 1.00 0.00 H ATOM 38 N LYS A 30 0.742 -25.356 -22.882 1.00 91.17 N ATOM 39 CA LYS A 30 1.415 -26.409 -23.662 1.00 91.18 C ATOM 40 C LYS A 30 2.867 -26.631 -23.220 1.00 94.97 C ATOM 41 O LYS A 30 3.275 -27.781 -23.025 1.00 94.95 O ATOM 42 CB LYS A 30 1.334 -26.124 -25.169 1.00 93.71 C ATOM 43 H LYS A 30 0.369 -24.536 -23.402 1.00 0.00 H ATOM 44 N ARG A 31 3.630 -25.531 -23.050 1.00 90.55 N ATOM 45 CA ARG A 31 5.022 -25.548 -22.602 1.00 89.93 C ATOM 46 C ARG A 31 5.138 -24.672 -21.328 1.00 92.84 C ATOM 47 O ARG A 31 5.538 -23.504 -21.414 1.00 92.74 O ATOM 48 CB ARG A 31 5.965 -25.077 -23.726 1.00 90.26 C ATOM 49 H ARG A 31 3.198 -24.607 -23.252 1.00 0.00 H ATOM 50 N PRO A 32 4.754 -25.202 -20.137 1.00 88.19 N ATOM 51 CA PRO A 32 4.830 -24.381 -18.912 1.00 87.36 C ATOM 52 C PRO A 32 6.239 -24.119 -18.405 1.00 89.23 C ATOM 53 O PRO A 32 6.425 -23.203 -17.602 1.00 88.87 O ATOM 54 CB PRO A 32 3.981 -25.149 -17.888 1.00 89.46 C ATOM 55 CG PRO A 32 3.452 -26.360 -18.594 1.00 94.28 C ATOM 56 CD PRO A 32 4.248 -26.557 -19.843 1.00 89.88 C ATOM 57 N GLY A 33 7.197 -24.919 -18.882 1.00 84.14 N ATOM 58 CA GLY A 33 8.612 -24.837 -18.542 1.00 83.27 C ATOM 59 C GLY A 33 9.291 -23.549 -18.967 1.00 86.01 C ATOM 60 O GLY A 33 10.152 -23.036 -18.246 1.00 85.48 O ATOM 61 H GLY A 33 6.909 -25.661 -19.551 1.00 0.00 H ATOM 62 N MET A 34 8.905 -23.015 -20.139 1.00 81.92 N ATOM 63 CA MET A 34 9.457 -21.779 -20.705 1.00 81.48 C ATOM 64 C MET A 34 9.056 -20.508 -19.921 1.00 84.70 C ATOM 65 O MET A 34 9.872 -19.590 -19.755 1.00 83.65 O ATOM 66 CB MET A 34 9.033 -21.647 -22.179 1.00 83.71 C ATOM 67 H MET A 34 8.167 -23.510 -20.679 1.00 0.00 H ATOM 68 N TYR A 35 7.795 -20.471 -19.449 1.00 80.62 N ATOM 69 CA TYR A 35 7.198 -19.346 -18.736 1.00 79.68 C ATOM 70 C TYR A 35 7.491 -19.264 -17.228 1.00 81.84 C ATOM 71 O TYR A 35 7.758 -18.163 -16.744 1.00 80.81 O ATOM 72 CB TYR A 35 5.683 -19.331 -18.978 1.00 80.54 C ATOM 73 H TYR A 35 7.200 -21.310 -19.605 1.00 0.00 H ATOM 74 N ILE A 36 7.423 -20.394 -16.487 1.00 77.83 N ATOM 75 CA ILE A 36 7.632 -20.391 -15.031 1.00 77.34 C ATOM 76 C ILE A 36 8.920 -21.129 -14.573 1.00 80.02 C ATOM 77 O ILE A 36 9.479 -20.761 -13.533 1.00 79.76 O ATOM 78 CB ILE A 36 6.345 -20.903 -14.281 1.00 80.29 C ATOM 79 CG1 ILE A 36 6.214 -20.279 -12.873 1.00 80.10 C ATOM 80 CG2 ILE A 36 6.195 -22.443 -14.242 1.00 80.65 C ATOM 81 CD1 ILE A 36 5.400 -18.999 -12.820 1.00 82.87 C ATOM 82 H ILE A 36 7.216 -21.295 -16.963 1.00 0.00 H ATOM 83 N GLY A 37 9.363 -22.133 -15.335 1.00 74.99 N ATOM 84 CA GLY A 37 10.550 -22.928 -15.023 1.00 73.75 C ATOM 85 C GLY A 37 10.227 -24.407 -14.969 1.00 74.76 C ATOM 86 O GLY A 37 10.293 -25.093 -15.989 1.00 73.66 O ATOM 87 H GLY A 37 8.833 -22.362 -16.200 1.00 0.00 H ATOM 88 N SER A 38 9.868 -24.907 -13.775 1.00 69.76 N ATOM 89 CA SER A 38 9.491 -26.304 -13.564 1.00 68.89 C ATOM 90 C SER A 38 8.054 -26.409 -13.014 1.00 71.01 C ATOM 91 O SER A 38 7.563 -25.473 -12.386 1.00 70.85 O ATOM 92 CB SER A 38 10.486 -27.007 -12.644 1.00 72.58 C ATOM 93 OG SER A 38 10.436 -26.529 -11.309 1.00 81.03 O ATOM 94 HG SER A 38 9.529 -26.675 -10.941 1.00 0.00 H ATOM 95 H SER A 38 9.858 -24.266 -12.956 1.00 0.00 H ATOM 96 N THR A 39 7.379 -27.541 -13.264 1.00 65.50 N ATOM 97 CA THR A 39 6.011 -27.776 -12.788 1.00 63.96 C ATOM 98 C THR A 39 6.024 -28.505 -11.415 1.00 64.52 C ATOM 99 O THR A 39 5.005 -29.056 -10.987 1.00 64.43 O ATOM 100 CB THR A 39 5.167 -28.470 -13.879 1.00 69.34 C ATOM 101 OG1 THR A 39 5.854 -29.638 -14.333 1.00 70.08 O ATOM 102 CG2 THR A 39 4.856 -27.548 -15.057 1.00 64.94 C ATOM 103 HG1 THR A 39 5.315 -30.085 -15.033 1.00 0.00 H ATOM 104 H THR A 39 7.846 -28.285 -13.820 1.00 0.00 H ATOM 105 N SER A 40 7.183 -28.484 -10.723 1.00 57.87 N ATOM 106 CA SER A 40 7.369 -29.112 -9.413 1.00 56.69 C ATOM 107 C SER A 40 6.924 -28.144 -8.302 1.00 57.77 C ATOM 108 O SER A 40 6.134 -27.240 -8.565 1.00 57.32 O ATOM 109 CB SER A 40 8.835 -29.506 -9.229 1.00 60.70 C ATOM 110 OG SER A 40 9.691 -28.375 -9.150 1.00 68.77 O ATOM 111 HG SER A 40 9.617 -27.848 -9.985 1.00 0.00 H ATOM 112 H SER A 40 7.995 -27.991 -11.147 1.00 0.00 H ATOM 113 N GLU A 41 7.435 -28.337 -7.067 1.00 52.06 N ATOM 114 CA GLU A 41 7.166 -27.488 -5.916 1.00 50.96 C ATOM 115 C GLU A 41 7.795 -26.091 -6.193 1.00 55.43 C ATOM 116 O GLU A 41 7.173 -25.073 -5.884 1.00 55.63 O ATOM 117 CB GLU A 41 7.762 -28.124 -4.650 1.00 52.20 C ATOM 118 CG GLU A 41 7.012 -27.784 -3.373 1.00 67.68 C ATOM 119 CD GLU A 41 7.630 -28.244 -2.060 1.00 99.42 C ATOM 120 OE1 GLU A 41 8.807 -27.908 -1.791 1.00 96.92 O ATOM 121 OE2 GLU A 41 6.921 -28.928 -1.287 1.00 97.33 O ATOM 122 H GLU A 41 8.067 -29.151 -6.928 1.00 0.00 H ATOM 123 N ARG A 42 9.012 -26.053 -6.806 1.00 51.29 N ATOM 124 CA ARG A 42 9.751 -24.828 -7.165 1.00 50.30 C ATOM 125 C ARG A 42 8.909 -23.919 -8.048 1.00 51.33 C ATOM 126 O ARG A 42 8.835 -22.721 -7.772 1.00 53.04 O ATOM 127 CB ARG A 42 11.093 -25.151 -7.860 1.00 51.38 C ATOM 128 H ARG A 42 9.456 -26.964 -7.040 1.00 0.00 H ATOM 129 N GLY A 43 8.276 -24.495 -9.076 1.00 42.73 N ATOM 130 CA GLY A 43 7.409 -23.772 -9.998 1.00 40.83 C ATOM 131 C GLY A 43 6.081 -23.393 -9.370 1.00 42.18 C ATOM 132 O GLY A 43 5.461 -22.399 -9.765 1.00 42.85 O ATOM 133 H GLY A 43 8.410 -25.515 -9.226 1.00 0.00 H ATOM 134 N LEU A 44 5.627 -24.189 -8.390 1.00 34.41 N ATOM 135 CA LEU A 44 4.385 -23.920 -7.689 1.00 31.46 C ATOM 136 C LEU A 44 4.534 -22.632 -6.842 1.00 35.22 C ATOM 137 O LEU A 44 3.664 -21.760 -6.904 1.00 36.00 O ATOM 138 CB LEU A 44 3.970 -25.107 -6.798 1.00 29.64 C ATOM 139 CG LEU A 44 2.693 -24.876 -6.010 1.00 31.60 C ATOM 140 CD1 LEU A 44 1.506 -24.995 -6.872 1.00 31.41 C ATOM 141 CD2 LEU A 44 2.598 -25.754 -4.818 1.00 31.25 C ATOM 142 H LEU A 44 6.183 -25.026 -8.124 1.00 0.00 H ATOM 143 N HIS A 45 5.615 -22.517 -6.051 1.00 29.51 N ATOM 144 CA HIS A 45 5.812 -21.335 -5.212 1.00 29.70 C ATOM 145 C HIS A 45 6.114 -20.078 -6.054 1.00 37.18 C ATOM 146 O HIS A 45 5.858 -18.962 -5.595 1.00 36.09 O ATOM 147 CB HIS A 45 6.851 -21.587 -4.112 1.00 29.26 C ATOM 148 CG HIS A 45 6.408 -22.616 -3.126 1.00 31.70 C ATOM 149 ND1 HIS A 45 6.366 -23.956 -3.453 1.00 33.08 N ATOM 150 CD2 HIS A 45 5.989 -22.463 -1.852 1.00 33.64 C ATOM 151 CE1 HIS A 45 5.927 -24.572 -2.373 1.00 32.98 C ATOM 152 NE2 HIS A 45 5.700 -23.710 -1.376 1.00 33.53 N ATOM 153 H HIS A 45 6.322 -23.280 -6.035 1.00 0.00 H ATOM 154 N HIS A 46 6.587 -20.272 -7.314 1.00 36.63 N ATOM 155 CA HIS A 46 6.879 -19.172 -8.225 1.00 37.50 C ATOM 156 C HIS A 46 5.641 -18.450 -8.628 1.00 34.43 C ATOM 157 O HIS A 46 5.734 -17.270 -8.940 1.00 34.05 O ATOM 158 CB HIS A 46 7.732 -19.594 -9.420 1.00 40.94 C ATOM 159 CG HIS A 46 9.180 -19.796 -9.051 1.00 47.22 C ATOM 160 ND1 HIS A 46 10.110 -20.254 -9.981 1.00 50.46 N ATOM 161 CD2 HIS A 46 9.806 -19.631 -7.853 1.00 50.35 C ATOM 162 CE1 HIS A 46 11.262 -20.330 -9.324 1.00 50.39 C ATOM 163 NE2 HIS A 46 11.127 -19.966 -8.041 1.00 50.57 N ATOM 164 H HIS A 46 6.747 -21.246 -7.642 1.00 0.00 H ATOM 165 N LEU A 47 4.475 -19.113 -8.538 1.00 28.37 N ATOM 166 CA LEU A 47 3.152 -18.537 -8.833 1.00 26.62 C ATOM 167 C LEU A 47 2.862 -17.392 -7.865 1.00 29.10 C ATOM 168 O LEU A 47 2.453 -16.329 -8.300 1.00 27.55 O ATOM 169 CB LEU A 47 2.039 -19.587 -8.757 1.00 26.14 C ATOM 170 CG LEU A 47 2.028 -20.734 -9.790 1.00 30.42 C ATOM 171 CD1 LEU A 47 0.798 -21.606 -9.576 1.00 30.29 C ATOM 172 CD2 LEU A 47 2.058 -20.220 -11.264 1.00 31.97 C ATOM 173 H LEU A 47 4.510 -20.108 -8.237 1.00 0.00 H ATOM 174 N VAL A 48 3.143 -17.615 -6.561 1.00 26.70 N ATOM 175 CA VAL A 48 3.012 -16.692 -5.435 1.00 26.11 C ATOM 176 C VAL A 48 4.007 -15.528 -5.604 1.00 35.45 C ATOM 177 O VAL A 48 3.586 -14.384 -5.451 1.00 37.05 O ATOM 178 CB VAL A 48 3.227 -17.442 -4.083 1.00 28.35 C ATOM 179 CG1 VAL A 48 3.217 -16.492 -2.886 1.00 27.18 C ATOM 180 CG2 VAL A 48 2.214 -18.576 -3.892 1.00 27.79 C ATOM 181 H VAL A 48 3.498 -18.565 -6.330 1.00 0.00 H ATOM 182 N TRP A 49 5.310 -15.803 -5.904 1.00 33.98 N ATOM 183 CA TRP A 49 6.337 -14.754 -6.066 1.00 35.13 C ATOM 184 C TRP A 49 5.996 -13.728 -7.122 1.00 37.65 C ATOM 185 O TRP A 49 6.222 -12.546 -6.901 1.00 38.01 O ATOM 186 CB TRP A 49 7.757 -15.324 -6.329 1.00 35.55 C ATOM 187 CG TRP A 49 8.219 -16.400 -5.394 1.00 37.71 C ATOM 188 CD1 TRP A 49 8.973 -17.487 -5.720 1.00 40.91 C ATOM 189 CD2 TRP A 49 7.911 -16.528 -3.999 1.00 38.11 C ATOM 190 NE1 TRP A 49 9.160 -18.286 -4.614 1.00 40.62 N ATOM 191 CE2 TRP A 49 8.530 -17.713 -3.541 1.00 42.29 C ATOM 192 CE3 TRP A 49 7.187 -15.743 -3.083 1.00 40.31 C ATOM 193 CZ2 TRP A 49 8.441 -18.137 -2.216 1.00 42.75 C ATOM 194 CZ3 TRP A 49 7.107 -16.155 -1.767 1.00 42.84 C ATOM 195 CH2 TRP A 49 7.719 -17.344 -1.345 1.00 43.80 C ATOM 196 HE1 TRP A 49 9.693 -19.179 -4.596 1.00 0.00 H ATOM 197 H TRP A 49 5.592 -16.797 -6.024 1.00 0.00 H ATOM 198 N GLU A 50 5.467 -14.176 -8.268 1.00 33.64 N ATOM 199 CA GLU A 50 5.078 -13.318 -9.378 1.00 32.40 C ATOM 200 C GLU A 50 3.951 -12.368 -8.957 1.00 35.36 C ATOM 201 O GLU A 50 4.100 -11.148 -9.137 1.00 35.56 O ATOM 202 CB GLU A 50 4.705 -14.146 -10.612 1.00 33.67 C ATOM 203 CG GLU A 50 4.375 -13.288 -11.823 1.00 53.21 C ATOM 204 CD GLU A 50 5.353 -12.193 -12.248 1.00 86.13 C ATOM 205 OE1 GLU A 50 6.541 -12.514 -12.490 1.00 87.41 O ATOM 206 OE2 GLU A 50 4.922 -11.019 -12.366 1.00 72.45 O ATOM 207 H GLU A 50 5.325 -15.201 -8.371 1.00 0.00 H ATOM 208 N ILE A 51 2.855 -12.919 -8.353 1.00 28.89 N ATOM 209 CA ILE A 51 1.710 -12.128 -7.873 1.00 26.44 C ATOM 210 C ILE A 51 2.163 -11.130 -6.787 1.00 30.67 C ATOM 211 O ILE A 51 1.813 -9.956 -6.870 1.00 31.83 O ATOM 212 CB ILE A 51 0.467 -12.987 -7.466 1.00 26.92 C ATOM 213 CG1 ILE A 51 -0.047 -13.839 -8.651 1.00 24.57 C ATOM 214 CG2 ILE A 51 -0.680 -12.107 -6.888 1.00 26.74 C ATOM 215 CD1 ILE A 51 -0.337 -13.125 -10.064 1.00 15.96 C ATOM 216 H ILE A 51 2.829 -13.951 -8.226 1.00 0.00 H ATOM 217 N VAL A 52 2.960 -11.568 -5.816 1.00 27.14 N ATOM 218 CA VAL A 52 3.488 -10.675 -4.767 1.00 27.68 C ATOM 219 C VAL A 52 4.399 -9.571 -5.394 1.00 32.34 C ATOM 220 O VAL A 52 4.275 -8.402 -4.996 1.00 31.48 O ATOM 221 CB VAL A 52 4.183 -11.455 -3.614 1.00 31.36 C ATOM 222 CG1 VAL A 52 4.716 -10.515 -2.539 1.00 30.89 C ATOM 223 CG2 VAL A 52 3.231 -12.473 -2.999 1.00 31.02 C ATOM 224 H VAL A 52 3.220 -12.575 -5.796 1.00 0.00 H ATOM 225 N ASP A 53 5.258 -9.926 -6.399 1.00 29.34 N ATOM 226 CA ASP A 53 6.128 -8.937 -7.059 1.00 31.50 C ATOM 227 C ASP A 53 5.347 -7.737 -7.633 1.00 35.96 C ATOM 228 O ASP A 53 5.866 -6.621 -7.649 1.00 36.26 O ATOM 229 CB ASP A 53 7.005 -9.559 -8.165 1.00 34.89 C ATOM 230 CG ASP A 53 8.289 -10.240 -7.708 1.00 54.37 C ATOM 231 OD1 ASP A 53 8.619 -10.158 -6.481 1.00 54.79 O ATOM 232 OD2 ASP A 53 8.968 -10.857 -8.567 1.00 62.71 O ATOM 233 H ASP A 53 5.297 -10.919 -6.704 1.00 0.00 H ATOM 234 N ASN A 54 4.107 -7.975 -8.089 1.00 30.70 N ATOM 235 CA ASN A 54 3.251 -6.936 -8.631 1.00 30.26 C ATOM 236 C ASN A 54 2.811 -5.960 -7.517 1.00 33.26 C ATOM 237 O ASN A 54 2.729 -4.762 -7.747 1.00 31.09 O ATOM 238 CB ASN A 54 2.046 -7.574 -9.314 1.00 31.56 C ATOM 239 CG ASN A 54 2.352 -8.345 -10.576 1.00 48.47 C ATOM 240 OD1 ASN A 54 3.170 -7.943 -11.412 1.00 36.31 O ATOM 241 ND2 ASN A 54 1.667 -9.465 -10.758 1.00 44.19 N ATOM 242 HD22 ASN A 54 0.985 -9.780 -10.039 1.00 0.00 H ATOM 243 HD21 ASN A 54 1.811 -10.029 -11.620 1.00 0.00 H ATOM 244 H ASN A 54 3.743 -8.949 -8.052 1.00 0.00 H ATOM 245 N SER A 55 2.554 -6.485 -6.302 1.00 31.15 N ATOM 246 CA SER A 55 2.141 -5.694 -5.132 1.00 29.87 C ATOM 247 C SER A 55 3.305 -4.874 -4.598 1.00 29.84 C ATOM 248 O SER A 55 3.087 -3.731 -4.225 1.00 27.45 O ATOM 249 CB SER A 55 1.531 -6.583 -4.052 1.00 32.99 C ATOM 250 OG SER A 55 0.454 -7.349 -4.571 1.00 36.91 O ATOM 251 HG SER A 55 -0.247 -6.740 -4.915 1.00 0.00 H ATOM 252 H SER A 55 2.654 -7.513 -6.184 1.00 0.00 H ATOM 253 N ILE A 56 4.541 -5.439 -4.607 1.00 27.75 N ATOM 254 CA ILE A 56 5.807 -4.784 -4.183 1.00 27.38 C ATOM 255 C ILE A 56 6.142 -3.630 -5.117 1.00 30.93 C ATOM 256 O ILE A 56 6.604 -2.588 -4.656 1.00 31.19 O ATOM 257 CB ILE A 56 6.974 -5.820 -4.008 1.00 30.75 C ATOM 258 CG1 ILE A 56 7.046 -6.290 -2.546 1.00 29.41 C ATOM 259 CG2 ILE A 56 8.383 -5.326 -4.509 1.00 31.60 C ATOM 260 CD1 ILE A 56 6.761 -7.560 -2.437 1.00 27.59 C ATOM 261 H ILE A 56 4.608 -6.421 -4.942 1.00 0.00 H ATOM 262 N ASP A 57 5.875 -3.806 -6.418 1.00 27.57 N ATOM 263 CA ASP A 57 6.069 -2.794 -7.452 1.00 28.55 C ATOM 264 C ASP A 57 5.234 -1.564 -7.116 1.00 35.60 C ATOM 265 O ASP A 57 5.716 -0.439 -7.223 1.00 37.59 O ATOM 266 CB ASP A 57 5.618 -3.345 -8.817 1.00 30.80 C ATOM 267 CG ASP A 57 6.737 -3.765 -9.728 1.00 49.26 C ATOM 268 OD1 ASP A 57 7.729 -4.353 -9.225 1.00 55.54 O ATOM 269 OD2 ASP A 57 6.631 -3.506 -10.950 1.00 52.95 O ATOM 270 H ASP A 57 5.502 -4.731 -6.713 1.00 0.00 H ATOM 271 N GLU A 58 3.976 -1.787 -6.700 1.00 32.03 N ATOM 272 CA GLU A 58 3.042 -0.739 -6.319 1.00 30.88 C ATOM 273 C GLU A 58 3.528 -0.001 -5.081 1.00 31.88 C ATOM 274 O GLU A 58 3.384 1.217 -4.999 1.00 32.52 O ATOM 275 CB GLU A 58 1.628 -1.334 -6.136 1.00 32.55 C ATOM 276 CG GLU A 58 0.530 -0.286 -6.046 1.00 40.23 C ATOM 277 CD GLU A 58 0.220 0.520 -7.292 1.00 50.94 C ATOM 278 OE1 GLU A 58 0.982 0.433 -8.284 1.00 33.57 O ATOM 279 OE2 GLU A 58 -0.794 1.254 -7.265 1.00 39.48 O ATOM 280 H GLU A 58 3.649 -2.773 -6.647 1.00 0.00 H ATOM 281 N ALA A 59 4.116 -0.709 -4.153 1.00 27.79 N ATOM 282 CA ALA A 59 4.709 -0.129 -2.979 1.00 27.89 C ATOM 283 C ALA A 59 5.978 0.659 -3.242 1.00 31.87 C ATOM 284 O ALA A 59 6.222 1.638 -2.596 1.00 31.74 O ATOM 285 CB ALA A 59 4.971 -1.212 -1.963 1.00 28.63 C ATOM 286 H ALA A 59 4.157 -1.742 -4.270 1.00 0.00 H ATOM 287 N LEU A 60 6.780 0.208 -4.185 1.00 27.61 N ATOM 288 CA LEU A 60 8.014 0.890 -4.591 1.00 27.77 C ATOM 289 C LEU A 60 7.773 2.177 -5.345 1.00 32.02 C ATOM 290 O LEU A 60 8.657 3.035 -5.399 1.00 31.70 O ATOM 291 CB LEU A 60 8.915 -0.041 -5.415 1.00 27.92 C ATOM 292 CG LEU A 60 9.572 -1.193 -4.650 1.00 32.78 C ATOM 293 CD1 LEU A 60 10.260 -2.152 -5.616 1.00 32.28 C ATOM 294 CD2 LEU A 60 10.521 -0.678 -3.555 1.00 33.21 C ATOM 295 H LEU A 60 6.525 -0.678 -4.667 1.00 0.00 H ATOM 296 N ALA A 61 6.584 2.301 -5.952 1.00 28.13 N ATOM 297 CA ALA A 61 6.180 3.480 -6.708 1.00 26.61 C ATOM 298 C ALA A 61 5.622 4.564 -5.740 1.00 28.38 C ATOM 299 O ALA A 61 5.395 5.705 -6.150 1.00 27.89 O ATOM 300 CB ALA A 61 5.149 3.090 -7.763 1.00 26.69 C ATOM 301 H ALA A 61 5.912 1.511 -5.879 1.00 0.00 H ATOM 302 N GLY A 62 5.443 4.187 -4.474 1.00 23.28 N ATOM 303 CA GLY A 62 4.941 5.054 -3.413 1.00 23.17 C ATOM 304 C GLY A 62 3.435 5.006 -3.179 1.00 26.85 C ATOM 305 O GLY A 62 2.917 5.826 -2.408 1.00 24.91 O ATOM 306 H GLY A 62 5.678 3.205 -4.225 1.00 0.00 H ATOM 307 N TYR A 63 2.731 3.998 -3.787 1.00 23.71 N ATOM 308 CA TYR A 63 1.274 3.859 -3.760 1.00 23.26 C ATOM 309 C TYR A 63 0.685 2.714 -2.930 1.00 28.59 C ATOM 310 O TYR A 63 -0.541 2.601 -2.887 1.00 29.52 O ATOM 311 CB TYR A 63 0.749 3.788 -5.204 1.00 24.61 C ATOM 312 CG TYR A 63 0.992 5.088 -5.941 1.00 25.73 C ATOM 313 CD1 TYR A 63 0.090 6.143 -5.847 1.00 27.65 C ATOM 314 CD2 TYR A 63 2.172 5.299 -6.647 1.00 26.58 C ATOM 315 CE1 TYR A 63 0.337 7.365 -6.475 1.00 28.73 C ATOM 316 CE2 TYR A 63 2.431 6.515 -7.278 1.00 27.60 C ATOM 317 CZ TYR A 63 1.510 7.545 -7.188 1.00 33.60 C ATOM 318 OH TYR A 63 1.754 8.728 -7.832 1.00 33.22 O ATOM 319 HH TYR A 63 1.004 9.353 -7.667 1.00 0.00 H ATOM 320 H TYR A 63 3.273 3.278 -4.306 1.00 0.00 H ATOM 321 N ALA A 64 1.516 1.909 -2.232 1.00 24.38 N ATOM 322 CA ALA A 64 1.080 0.802 -1.350 1.00 22.47 C ATOM 323 C ALA A 64 2.097 0.625 -0.199 1.00 27.29 C ATOM 324 O ALA A 64 3.269 0.973 -0.354 1.00 28.80 O ATOM 325 CB ALA A 64 0.931 -0.494 -2.140 1.00 22.35 C ATOM 326 H ALA A 64 2.538 2.079 -2.321 1.00 0.00 H ATOM 327 N ASN A 65 1.661 0.114 0.951 1.00 21.97 N ATOM 328 CA ASN A 65 2.555 -0.085 2.093 1.00 21.66 C ATOM 329 C ASN A 65 2.194 -1.378 2.847 1.00 26.23 C ATOM 330 O ASN A 65 2.822 -1.713 3.848 1.00 25.14 O ATOM 331 CB ASN A 65 2.476 1.133 3.036 1.00 19.36 C ATOM 332 CG ASN A 65 1.145 1.281 3.745 1.00 42.89 C ATOM 333 OD1 ASN A 65 0.095 1.440 3.125 1.00 46.29 O ATOM 334 ND2 ASN A 65 1.149 1.221 5.065 1.00 33.22 N ATOM 335 HD22 ASN A 65 2.044 1.086 5.577 1.00 0.00 H ATOM 336 HD21 ASN A 65 0.257 1.309 5.592 1.00 0.00 H ATOM 337 H ASN A 65 0.659 -0.151 1.040 1.00 0.00 H ATOM 338 N GLN A 66 1.159 -2.073 2.382 1.00 25.25 N ATOM 339 CA GLN A 66 0.677 -3.301 3.014 1.00 26.29 C ATOM 340 C GLN A 66 0.365 -4.363 1.986 1.00 32.06 C ATOM 341 O GLN A 66 -0.363 -4.113 1.025 1.00 31.16 O ATOM 342 CB GLN A 66 -0.558 -3.043 3.887 1.00 27.24 C ATOM 343 CG GLN A 66 -0.217 -2.757 5.335 1.00 44.20 C ATOM 344 CD GLN A 66 -1.442 -2.765 6.215 1.00 67.59 C ATOM 345 OE1 GLN A 66 -2.577 -2.537 5.776 1.00 65.63 O ATOM 346 NE2 GLN A 66 -1.242 -3.039 7.486 1.00 61.72 N ATOM 347 HE22 GLN A 66 -0.280 -3.227 7.832 1.00 0.00 H ATOM 348 HE21 GLN A 66 -2.046 -3.067 8.145 1.00 0.00 H ATOM 349 H GLN A 66 0.671 -1.728 1.531 1.00 0.00 H ATOM 350 N ILE A 67 0.948 -5.549 2.189 1.00 29.47 N ATOM 351 CA ILE A 67 0.737 -6.706 1.340 1.00 29.01 C ATOM 352 C ILE A 67 0.401 -7.871 2.241 1.00 31.02 C ATOM 353 O ILE A 67 1.054 -8.078 3.259 1.00 30.14 O ATOM 354 CB ILE A 67 1.920 -7.008 0.383 1.00 32.45 C ATOM 355 CG1 ILE A 67 2.330 -5.743 -0.426 1.00 32.00 C ATOM 356 CG2 ILE A 67 1.548 -8.173 -0.558 1.00 34.05 C ATOM 357 CD1 ILE A 67 3.626 -5.795 -1.029 1.00 35.66 C ATOM 358 H ILE A 67 1.589 -5.648 3.002 1.00 0.00 H ATOM 359 N GLU A 68 -0.630 -8.623 1.882 1.00 27.46 N ATOM 360 CA GLU A 68 -1.019 -9.784 2.650 1.00 26.15 C ATOM 361 C GLU A 68 -1.125 -11.047 1.785 1.00 30.67 C ATOM 362 O GLU A 68 -1.916 -11.093 0.843 1.00 30.27 O ATOM 363 CB GLU A 68 -2.289 -9.493 3.432 1.00 27.08 C ATOM 364 CG GLU A 68 -2.729 -10.626 4.346 1.00 36.75 C ATOM 365 CD GLU A 68 -4.197 -10.536 4.706 1.00 49.49 C ATOM 366 OE1 GLU A 68 -5.040 -10.541 3.778 1.00 40.64 O ATOM 367 OE2 GLU A 68 -4.506 -10.450 5.917 1.00 41.89 O ATOM 368 H GLU A 68 -1.170 -8.372 1.030 1.00 0.00 H ATOM 369 N VAL A 69 -0.312 -12.072 2.116 1.00 27.56 N ATOM 370 CA VAL A 69 -0.298 -13.388 1.453 1.00 26.26 C ATOM 371 C VAL A 69 -1.031 -14.425 2.346 1.00 26.10 C ATOM 372 O VAL A 69 -0.600 -14.704 3.463 1.00 26.18 O ATOM 373 CB VAL A 69 1.120 -13.836 1.034 1.00 29.53 C ATOM 374 CG1 VAL A 69 1.063 -14.981 0.042 1.00 28.93 C ATOM 375 CG2 VAL A 69 1.882 -12.674 0.433 1.00 29.89 C ATOM 376 H VAL A 69 0.356 -11.922 2.899 1.00 0.00 H ATOM 377 N VAL A 70 -2.153 -14.961 1.853 1.00 20.26 N ATOM 378 CA VAL A 70 -2.973 -15.961 2.555 1.00 18.87 C ATOM 379 C VAL A 70 -3.013 -17.320 1.815 1.00 21.00 C ATOM 380 O VAL A 70 -3.309 -17.373 0.608 1.00 20.28 O ATOM 381 CB VAL A 70 -4.427 -15.453 2.877 1.00 21.54 C ATOM 382 CG1 VAL A 70 -5.180 -16.448 3.768 1.00 22.00 C ATOM 383 CG2 VAL A 70 -4.409 -14.097 3.546 1.00 20.69 C ATOM 384 H VAL A 70 -2.467 -14.650 0.911 1.00 0.00 H ATOM 385 N ILE A 71 -2.737 -18.414 2.552 1.00 17.70 N ATOM 386 CA ILE A 71 -2.852 -19.806 2.047 1.00 16.72 C ATOM 387 C ILE A 71 -4.212 -20.229 2.592 1.00 19.21 C ATOM 388 O ILE A 71 -4.382 -20.419 3.804 1.00 15.41 O ATOM 389 CB ILE A 71 -1.746 -20.781 2.498 1.00 19.65 C ATOM 390 CG1 ILE A 71 -0.315 -20.196 2.295 1.00 20.88 C ATOM 391 CG2 ILE A 71 -1.938 -22.141 1.811 1.00 17.69 C ATOM 392 CD1 ILE A 71 0.642 -20.627 3.412 1.00 31.74 C ATOM 393 H ILE A 71 -2.424 -18.275 3.534 1.00 0.00 H ATOM 394 N GLU A 72 -5.198 -20.301 1.705 1.00 19.93 N ATOM 395 CA GLU A 72 -6.591 -20.605 2.092 1.00 20.74 C ATOM 396 C GLU A 72 -6.911 -22.109 1.960 1.00 27.68 C ATOM 397 O GLU A 72 -6.042 -22.885 1.546 1.00 26.59 O ATOM 398 CB GLU A 72 -7.568 -19.746 1.244 1.00 21.31 C ATOM 399 CG GLU A 72 -7.288 -18.239 1.175 1.00 19.49 C ATOM 400 CD GLU A 72 -8.383 -17.428 0.500 1.00 51.09 C ATOM 401 OE1 GLU A 72 -8.754 -17.747 -0.653 1.00 48.18 O ATOM 402 OE2 GLU A 72 -8.883 -16.470 1.133 1.00 59.79 O ATOM 403 H GLU A 72 -4.981 -20.137 0.701 1.00 0.00 H ATOM 404 N LYS A 73 -8.149 -22.507 2.337 1.00 27.01 N ATOM 405 CA LYS A 73 -8.678 -23.876 2.252 1.00 27.86 C ATOM 406 C LYS A 73 -8.550 -24.366 0.784 1.00 34.42 C ATOM 407 O LYS A 73 -8.842 -23.590 -0.142 1.00 35.74 O ATOM 408 CB LYS A 73 -10.161 -23.934 2.713 1.00 29.22 C ATOM 409 H LYS A 73 -8.783 -21.778 2.722 1.00 0.00 H ATOM 410 N ASP A 74 -8.070 -25.625 0.590 1.00 29.00 N ATOM 411 CA ASP A 74 -7.844 -26.278 -0.706 1.00 29.36 C ATOM 412 C ASP A 74 -6.657 -25.695 -1.449 1.00 32.15 C ATOM 413 O ASP A 74 -6.548 -25.839 -2.670 1.00 30.84 O ATOM 414 CB ASP A 74 -9.106 -26.328 -1.595 1.00 32.82 C ATOM 415 CG ASP A 74 -10.334 -26.937 -0.920 1.00 57.51 C ATOM 416 OD1 ASP A 74 -10.197 -28.023 -0.280 1.00 57.29 O ATOM 417 OD2 ASP A 74 -11.435 -26.331 -1.029 1.00 70.83 O ATOM 418 H ASP A 74 -7.841 -26.177 1.441 1.00 0.00 H ATOM 419 N ASN A 75 -5.736 -25.071 -0.697 1.00 29.84 N ATOM 420 CA ASN A 75 -4.511 -24.456 -1.209 1.00 30.01 C ATOM 421 C ASN A 75 -4.758 -23.384 -2.284 1.00 32.98 C ATOM 422 O ASN A 75 -4.066 -23.320 -3.309 1.00 33.75 O ATOM 423 CB ASN A 75 -3.485 -25.497 -1.681 1.00 30.33 C ATOM 424 CG ASN A 75 -2.826 -26.199 -0.562 1.00 36.76 C ATOM 425 OD1 ASN A 75 -1.790 -25.761 -0.068 1.00 28.84 O ATOM 426 ND2 ASN A 75 -3.424 -27.304 -0.138 1.00 33.34 N ATOM 427 HD22 ASN A 75 -4.300 -27.629 -0.594 1.00 0.00 H ATOM 428 HD21 ASN A 75 -3.017 -27.846 0.651 1.00 0.00 H ATOM 429 H ASN A 75 -5.906 -25.021 0.328 1.00 0.00 H ATOM 430 N TRP A 76 -5.736 -22.531 -2.024 1.00 27.76 N ATOM 431 CA TRP A 76 -5.988 -21.367 -2.857 1.00 27.22 C ATOM 432 C TRP A 76 -5.022 -20.328 -2.278 1.00 27.34 C ATOM 433 O TRP A 76 -4.722 -20.331 -1.059 1.00 24.29 O ATOM 434 CB TRP A 76 -7.411 -20.823 -2.650 1.00 26.65 C ATOM 435 CG TRP A 76 -8.436 -21.392 -3.572 1.00 28.11 C ATOM 436 CD1 TRP A 76 -9.063 -22.594 -3.452 1.00 30.90 C ATOM 437 CD2 TRP A 76 -9.015 -20.744 -4.725 1.00 28.60 C ATOM 438 NE1 TRP A 76 -9.996 -22.745 -4.460 1.00 31.09 N ATOM 439 CE2 TRP A 76 -9.987 -21.626 -5.257 1.00 32.39 C ATOM 440 CE3 TRP A 76 -8.799 -19.507 -5.369 1.00 29.97 C ATOM 441 CZ2 TRP A 76 -10.727 -21.323 -6.417 1.00 31.14 C ATOM 442 CZ3 TRP A 76 -9.551 -19.201 -6.506 1.00 31.43 C ATOM 443 CH2 TRP A 76 -10.521 -20.092 -6.998 1.00 31.77 C ATOM 444 HE1 TRP A 76 -10.608 -23.575 -4.594 1.00 0.00 H ATOM 445 H TRP A 76 -6.344 -22.699 -1.197 1.00 0.00 H ATOM 446 N ILE A 77 -4.552 -19.427 -3.123 1.00 23.89 N ATOM 447 CA ILE A 77 -3.661 -18.366 -2.628 1.00 23.40 C ATOM 448 C ILE A 77 -4.393 -17.032 -2.755 1.00 27.92 C ATOM 449 O ILE A 77 -5.101 -16.815 -3.738 1.00 27.86 O ATOM 450 CB ILE A 77 -2.243 -18.421 -3.307 1.00 24.81 C ATOM 451 CG1 ILE A 77 -1.444 -19.652 -2.800 1.00 23.36 C ATOM 452 CG2 ILE A 77 -1.438 -17.104 -3.187 1.00 24.57 C ATOM 453 CD1 ILE A 77 -0.684 -19.566 -1.404 1.00 18.69 C ATOM 454 H ILE A 77 -4.810 -19.468 -4.130 1.00 0.00 H ATOM 455 N LYS A 78 -4.289 -16.177 -1.738 1.00 24.66 N ATOM 456 CA LYS A 78 -4.902 -14.853 -1.802 1.00 23.95 C ATOM 457 C LYS A 78 -3.816 -13.842 -1.542 1.00 27.80 C ATOM 458 O LYS A 78 -3.143 -13.939 -0.506 1.00 27.76 O ATOM 459 CB LYS A 78 -6.085 -14.678 -0.833 1.00 25.21 C ATOM 460 CG LYS A 78 -6.828 -13.342 -1.017 1.00 27.96 C ATOM 461 CD LYS A 78 -8.147 -13.269 -0.271 1.00 35.34 C ATOM 462 CE LYS A 78 -8.025 -13.262 1.247 1.00 41.53 C ATOM 463 NZ LYS A 78 -7.783 -11.908 1.797 1.00 56.78 N ATOM 464 HZ1 LYS A 78 -6.898 -11.529 1.405 1.00 0.00 H ATOM 465 HZ2 LYS A 78 -8.573 -11.284 1.538 1.00 0.00 H ATOM 466 HZ3 LYS A 78 -7.709 -11.964 2.833 1.00 0.00 H ATOM 467 H LYS A 78 -3.763 -16.457 -0.886 1.00 0.00 H ATOM 468 N VAL A 79 -3.621 -12.886 -2.487 1.00 21.74 N ATOM 469 CA VAL A 79 -2.621 -11.820 -2.328 1.00 20.56 C ATOM 470 C VAL A 79 -3.390 -10.503 -2.396 1.00 25.54 C ATOM 471 O VAL A 79 -4.088 -10.254 -3.380 1.00 25.71 O ATOM 472 CB VAL A 79 -1.399 -11.881 -3.306 1.00 23.33 C ATOM 473 CG1 VAL A 79 -0.459 -10.691 -3.115 1.00 22.45 C ATOM 474 CG2 VAL A 79 -0.631 -13.202 -3.189 1.00 22.75 C ATOM 475 H VAL A 79 -4.198 -12.909 -3.352 1.00 0.00 H ATOM 476 N THR A 80 -3.284 -9.686 -1.330 1.00 22.57 N ATOM 477 CA THR A 80 -3.955 -8.395 -1.209 1.00 22.92 C ATOM 478 C THR A 80 -2.942 -7.287 -0.976 1.00 27.95 C ATOM 479 O THR A 80 -1.936 -7.509 -0.303 1.00 28.97 O ATOM 480 CB THR A 80 -5.020 -8.435 -0.079 1.00 30.80 C ATOM 481 OG1 THR A 80 -5.971 -9.468 -0.353 1.00 33.41 O ATOM 482 CG2 THR A 80 -5.793 -7.129 0.052 1.00 26.48 C ATOM 483 HG1 THR A 80 -5.505 -10.340 -0.398 1.00 0.00 H ATOM 484 H THR A 80 -2.683 -9.996 -0.540 1.00 0.00 H ATOM 485 N ASP A 81 -3.195 -6.106 -1.555 1.00 23.41 N ATOM 486 CA ASP A 81 -2.378 -4.905 -1.362 1.00 23.46 C ATOM 487 C ASP A 81 -3.308 -3.687 -1.212 1.00 28.36 C ATOM 488 O ASP A 81 -4.494 -3.780 -1.522 1.00 27.70 O ATOM 489 CB ASP A 81 -1.290 -4.696 -2.448 1.00 24.93 C ATOM 490 CG ASP A 81 -1.778 -4.472 -3.889 1.00 29.79 C ATOM 491 OD1 ASP A 81 -2.455 -3.428 -4.144 1.00 27.60 O ATOM 492 OD2 ASP A 81 -1.461 -5.316 -4.762 1.00 24.58 O ATOM 493 H ASP A 81 -4.023 -6.037 -2.181 1.00 0.00 H ATOM 494 N ASN A 82 -2.782 -2.565 -0.714 1.00 25.51 N ATOM 495 CA ASN A 82 -3.566 -1.346 -0.591 1.00 24.64 C ATOM 496 C ASN A 82 -3.074 -0.337 -1.654 1.00 28.71 C ATOM 497 O ASN A 82 -2.984 0.864 -1.414 1.00 28.39 O ATOM 498 CB ASN A 82 -3.602 -0.827 0.868 1.00 19.20 C ATOM 499 CG ASN A 82 -2.300 -0.367 1.438 1.00 31.47 C ATOM 500 OD1 ASN A 82 -1.243 -0.500 0.841 1.00 29.40 O ATOM 501 ND2 ASN A 82 -2.354 0.177 2.629 1.00 30.54 N ATOM 502 HD22 ASN A 82 -3.269 0.277 3.114 1.00 0.00 H ATOM 503 HD21 ASN A 82 -1.482 0.508 3.089 1.00 0.00 H ATOM 504 H ASN A 82 -1.788 -2.563 -0.407 1.00 0.00 H ATOM 505 N GLY A 83 -2.780 -0.865 -2.843 1.00 26.96 N ATOM 506 CA GLY A 83 -2.315 -0.101 -3.994 1.00 27.53 C ATOM 507 C GLY A 83 -3.401 0.742 -4.622 1.00 35.02 C ATOM 508 O GLY A 83 -4.442 0.975 -4.000 1.00 36.32 O ATOM 509 H GLY A 83 -2.890 -1.893 -2.957 1.00 0.00 H ATOM 510 N ARG A 84 -3.177 1.225 -5.853 1.00 31.95 N ATOM 511 CA ARG A 84 -4.169 2.070 -6.533 1.00 31.68 C ATOM 512 C ARG A 84 -5.321 1.257 -7.144 1.00 34.46 C ATOM 513 O ARG A 84 -6.336 1.846 -7.548 1.00 34.98 O ATOM 514 CB ARG A 84 -3.514 2.903 -7.662 1.00 30.40 C ATOM 515 CG ARG A 84 -2.679 4.089 -7.222 1.00 26.36 C ATOM 516 CD ARG A 84 -1.834 4.574 -8.388 1.00 31.75 C ATOM 517 NE ARG A 84 -0.725 3.657 -8.695 1.00 30.46 N ATOM 518 CZ ARG A 84 0.362 3.985 -9.388 1.00 39.68 C ATOM 519 NH1 ARG A 84 0.515 5.220 -9.853 1.00 26.86 N ATOM 520 NH2 ARG A 84 1.312 3.085 -9.613 1.00 26.57 N ATOM 521 HE ARG A 84 -0.796 2.680 -8.344 1.00 0.00 H ATOM 522 HH12 ARG A 84 1.367 5.470 -10.394 1.00 0.00 H ATOM 523 HH11 ARG A 84 -0.217 5.937 -9.676 1.00 0.00 H ATOM 524 HH22 ARG A 84 2.159 3.348 -10.156 1.00 0.00 H ATOM 525 HH21 ARG A 84 1.209 2.117 -9.247 1.00 0.00 H ATOM 526 H ARG A 84 -2.284 0.997 -6.336 1.00 0.00 H ATOM 527 N GLY A 85 -5.137 -0.059 -7.234 1.00 29.38 N ATOM 528 CA GLY A 85 -6.077 -0.980 -7.865 1.00 29.28 C ATOM 529 C GLY A 85 -5.737 -1.040 -9.348 1.00 34.55 C ATOM 530 O GLY A 85 -5.487 0.007 -9.957 1.00 33.90 O ATOM 531 H GLY A 85 -4.266 -0.457 -6.828 1.00 0.00 H ATOM 532 N ILE A 86 -5.649 -2.246 -9.947 1.00 33.31 N ATOM 533 CA ILE A 86 -5.312 -2.360 -11.388 1.00 33.69 C ATOM 534 C ILE A 86 -6.358 -1.557 -12.174 1.00 38.13 C ATOM 535 O ILE A 86 -7.550 -1.761 -11.923 1.00 38.35 O ATOM 536 CB ILE A 86 -5.210 -3.827 -11.905 1.00 36.74 C ATOM 537 CG1 ILE A 86 -4.226 -4.694 -11.053 1.00 36.06 C ATOM 538 CG2 ILE A 86 -4.839 -3.846 -13.402 1.00 37.76 C ATOM 539 CD1 ILE A 86 -4.385 -6.258 -11.224 1.00 25.69 C ATOM 540 H ILE A 86 -5.820 -3.108 -9.391 1.00 0.00 H ATOM 541 N PRO A 87 -5.976 -0.617 -13.080 1.00 34.61 N ATOM 542 CA PRO A 87 -7.009 0.164 -13.783 1.00 34.29 C ATOM 543 C PRO A 87 -8.036 -0.696 -14.519 1.00 39.40 C ATOM 544 O PRO A 87 -7.742 -1.799 -14.993 1.00 36.92 O ATOM 545 CB PRO A 87 -6.211 1.103 -14.682 1.00 35.58 C ATOM 546 CG PRO A 87 -4.863 1.162 -14.089 1.00 39.76 C ATOM 547 CD PRO A 87 -4.623 -0.192 -13.494 1.00 35.66 C ATOM 548 N VAL A 88 -9.270 -0.179 -14.554 1.00 39.50 N ATOM 549 CA VAL A 88 -10.474 -0.813 -15.106 1.00 39.87 C ATOM 550 C VAL A 88 -10.979 -0.149 -16.437 1.00 44.39 C ATOM 551 O VAL A 88 -11.838 -0.710 -17.136 1.00 43.02 O ATOM 552 CB VAL A 88 -11.505 -0.763 -13.948 1.00 44.08 C ATOM 553 CG1 VAL A 88 -12.942 -0.882 -14.433 1.00 44.62 C ATOM 554 CG2 VAL A 88 -11.183 -1.802 -12.863 1.00 43.63 C ATOM 555 H VAL A 88 -9.389 0.771 -14.148 1.00 0.00 H ATOM 556 N ASP A 89 -10.427 1.031 -16.782 1.00 41.17 N ATOM 557 CA ASP A 89 -10.825 1.770 -17.973 1.00 41.29 C ATOM 558 C ASP A 89 -10.564 1.010 -19.285 1.00 45.63 C ATOM 559 O ASP A 89 -9.559 0.298 -19.416 1.00 45.35 O ATOM 560 CB ASP A 89 -10.182 3.170 -17.990 1.00 43.48 C ATOM 561 CG ASP A 89 -8.695 3.150 -18.278 1.00 60.86 C ATOM 562 OD1 ASP A 89 -7.943 2.616 -17.444 1.00 66.31 O ATOM 563 OD2 ASP A 89 -8.288 3.653 -19.356 1.00 63.46 O ATOM 564 H ASP A 89 -9.686 1.431 -16.172 1.00 0.00 H ATOM 565 N ILE A 90 -11.484 1.168 -20.246 1.00 42.15 N ATOM 566 CA ILE A 90 -11.389 0.539 -21.557 1.00 42.05 C ATOM 567 C ILE A 90 -10.156 1.081 -22.289 1.00 48.94 C ATOM 568 O ILE A 90 -9.950 2.301 -22.372 1.00 48.87 O ATOM 569 CB ILE A 90 -12.704 0.713 -22.392 1.00 44.24 C ATOM 570 CG1 ILE A 90 -13.980 0.313 -21.600 1.00 44.39 C ATOM 571 CG2 ILE A 90 -12.632 0.001 -23.738 1.00 43.82 C ATOM 572 CD1 ILE A 90 -14.183 -1.196 -21.177 1.00 52.59 C ATOM 573 H ILE A 90 -12.308 1.770 -20.046 1.00 0.00 H ATOM 574 N GLN A 91 -9.325 0.160 -22.779 1.00 47.01 N ATOM 575 CA GLN A 91 -8.126 0.484 -23.539 1.00 47.60 C ATOM 576 C GLN A 91 -8.628 0.640 -24.987 1.00 53.50 C ATOM 577 O GLN A 91 -9.129 -0.322 -25.564 1.00 53.34 O ATOM 578 CB GLN A 91 -7.066 -0.630 -23.381 1.00 48.98 C ATOM 579 CG GLN A 91 -6.672 -0.947 -21.920 1.00 63.22 C ATOM 580 CD GLN A 91 -6.031 0.221 -21.185 1.00 77.68 C ATOM 581 OE1 GLN A 91 -4.839 0.515 -21.361 1.00 73.20 O ATOM 582 NE2 GLN A 91 -6.810 0.913 -20.339 1.00 57.57 N ATOM 583 HE22 GLN A 91 -7.806 0.644 -20.211 1.00 0.00 H ATOM 584 HE21 GLN A 91 -6.417 1.718 -19.811 1.00 0.00 H ATOM 585 H GLN A 91 -9.545 -0.842 -22.609 1.00 0.00 H ATOM 586 N GLU A 92 -8.555 1.870 -25.531 1.00 51.20 N ATOM 587 CA GLU A 92 -9.026 2.280 -26.856 1.00 51.85 C ATOM 588 C GLU A 92 -8.770 1.285 -28.005 1.00 56.98 C ATOM 589 O GLU A 92 -9.679 1.066 -28.805 1.00 56.74 O ATOM 590 CB GLU A 92 -8.472 3.663 -27.227 1.00 53.28 C ATOM 591 H GLU A 92 -8.116 2.610 -24.946 1.00 0.00 H ATOM 592 N LYS A 93 -7.568 0.693 -28.092 1.00 54.96 N ATOM 593 CA LYS A 93 -7.238 -0.258 -29.161 1.00 55.74 C ATOM 594 C LYS A 93 -7.974 -1.610 -28.987 1.00 61.53 C ATOM 595 O LYS A 93 -8.765 -2.004 -29.855 1.00 60.27 O ATOM 596 CB LYS A 93 -5.713 -0.438 -29.276 1.00 58.33 C ATOM 597 H LYS A 93 -6.846 0.916 -27.378 1.00 0.00 H ATOM 598 N MET A 94 -7.727 -2.281 -27.841 1.00 59.87 N ATOM 599 CA MET A 94 -8.283 -3.579 -27.427 1.00 60.13 C ATOM 600 C MET A 94 -9.817 -3.583 -27.276 1.00 61.27 C ATOM 601 O MET A 94 -10.465 -4.566 -27.628 1.00 60.60 O ATOM 602 CB MET A 94 -7.653 -4.021 -26.086 1.00 63.27 C ATOM 603 CG MET A 94 -6.136 -3.879 -26.018 1.00 67.90 C ATOM 604 SD MET A 94 -5.296 -5.194 -26.927 1.00 72.88 S ATOM 605 CE MET A 94 -3.584 -4.823 -26.528 1.00 69.70 C ATOM 606 H MET A 94 -7.069 -1.829 -27.175 1.00 0.00 H ATOM 607 N GLY A 95 -10.369 -2.507 -26.722 1.00 55.61 N ATOM 608 CA GLY A 95 -11.801 -2.377 -26.476 1.00 54.24 C ATOM 609 C GLY A 95 -12.248 -3.181 -25.267 1.00 54.96 C ATOM 610 O GLY A 95 -13.416 -3.567 -25.180 1.00 53.72 O ATOM 611 H GLY A 95 -9.748 -1.718 -26.450 1.00 0.00 H ATOM 612 N ARG A 96 -11.309 -3.438 -24.318 1.00 49.57 N ATOM 613 CA ARG A 96 -11.538 -4.211 -23.080 1.00 47.97 C ATOM 614 C ARG A 96 -10.923 -3.498 -21.888 1.00 46.19 C ATOM 615 O ARG A 96 -9.930 -2.807 -22.108 1.00 45.37 O ATOM 616 CB ARG A 96 -10.883 -5.620 -23.178 1.00 48.88 C ATOM 617 CG ARG A 96 -11.219 -6.448 -24.428 1.00 61.42 C ATOM 618 CD ARG A 96 -12.690 -6.834 -24.527 1.00 73.55 C ATOM 619 NE ARG A 96 -13.022 -7.929 -23.619 1.00 82.13 N ATOM 620 CZ ARG A 96 -14.245 -8.408 -23.426 1.00 98.61 C ATOM 621 NH1 ARG A 96 -15.280 -7.887 -24.076 1.00 85.39 N ATOM 622 NH2 ARG A 96 -14.446 -9.406 -22.578 1.00 91.06 N ATOM 623 HE ARG A 96 -12.244 -8.365 -23.085 1.00 0.00 H ATOM 624 HH12 ARG A 96 -16.236 -8.266 -23.921 1.00 0.00 H ATOM 625 HH11 ARG A 96 -15.134 -7.100 -24.740 1.00 0.00 H ATOM 626 HH22 ARG A 96 -15.406 -9.778 -22.430 1.00 0.00 H ATOM 627 HH21 ARG A 96 -13.644 -9.818 -22.060 1.00 0.00 H ATOM 628 H ARG A 96 -10.353 -3.060 -24.476 1.00 0.00 H ATOM 629 N PRO A 97 -11.425 -3.686 -20.620 1.00 39.63 N ATOM 630 CA PRO A 97 -10.773 -3.036 -19.450 1.00 37.61 C ATOM 631 C PRO A 97 -9.296 -3.432 -19.313 1.00 41.95 C ATOM 632 O PRO A 97 -8.913 -4.533 -19.744 1.00 41.40 O ATOM 633 CB PRO A 97 -11.569 -3.577 -18.263 1.00 38.68 C ATOM 634 CG PRO A 97 -12.891 -3.964 -18.826 1.00 42.93 C ATOM 635 CD PRO A 97 -12.586 -4.499 -20.188 1.00 39.48 C ATOM 636 N ALA A 98 -8.458 -2.532 -18.742 1.00 38.80 N ATOM 637 CA ALA A 98 -7.026 -2.792 -18.558 1.00 38.28 C ATOM 638 C ALA A 98 -6.748 -4.070 -17.742 1.00 41.01 C ATOM 639 O ALA A 98 -5.917 -4.862 -18.169 1.00 41.89 O ATOM 640 CB ALA A 98 -6.338 -1.593 -17.934 1.00 39.06 C ATOM 641 H ALA A 98 -8.846 -1.622 -18.422 1.00 0.00 H ATOM 642 N VAL A 99 -7.467 -4.303 -16.616 1.00 35.99 N ATOM 643 CA VAL A 99 -7.307 -5.503 -15.765 1.00 35.52 C ATOM 644 C VAL A 99 -7.409 -6.786 -16.610 1.00 40.04 C ATOM 645 O VAL A 99 -6.582 -7.684 -16.452 1.00 39.99 O ATOM 646 CB VAL A 99 -8.237 -5.517 -14.501 1.00 38.80 C ATOM 647 CG1 VAL A 99 -9.727 -5.520 -14.846 1.00 37.66 C ATOM 648 CG2 VAL A 99 -7.890 -6.655 -13.551 1.00 38.76 C ATOM 649 H VAL A 99 -8.174 -3.595 -16.333 1.00 0.00 H ATOM 650 N GLU A 100 -8.392 -6.841 -17.533 1.00 36.30 N ATOM 651 CA GLU A 100 -8.588 -7.983 -18.412 1.00 35.67 C ATOM 652 C GLU A 100 -7.387 -8.203 -19.302 1.00 38.03 C ATOM 653 O GLU A 100 -6.940 -9.333 -19.430 1.00 39.08 O ATOM 654 CB GLU A 100 -9.868 -7.840 -19.248 1.00 36.95 C ATOM 655 CG GLU A 100 -10.424 -9.194 -19.648 1.00 43.83 C ATOM 656 CD GLU A 100 -11.613 -9.160 -20.577 1.00 60.09 C ATOM 657 OE1 GLU A 100 -12.760 -9.069 -20.079 1.00 52.89 O ATOM 658 OE2 GLU A 100 -11.395 -9.235 -21.808 1.00 52.20 O ATOM 659 H GLU A 100 -9.038 -6.031 -17.620 1.00 0.00 H ATOM 660 N VAL A 101 -6.854 -7.131 -19.875 1.00 33.62 N ATOM 661 CA VAL A 101 -5.696 -7.113 -20.779 1.00 33.76 C ATOM 662 C VAL A 101 -4.452 -7.670 -20.093 1.00 38.34 C ATOM 663 O VAL A 101 -3.862 -8.632 -20.586 1.00 37.87 O ATOM 664 CB VAL A 101 -5.460 -5.700 -21.417 1.00 37.03 C ATOM 665 CG1 VAL A 101 -4.194 -5.679 -22.265 1.00 36.77 C ATOM 666 CG2 VAL A 101 -6.670 -5.252 -22.243 1.00 36.35 C ATOM 667 H VAL A 101 -7.299 -6.215 -19.664 1.00 0.00 H ATOM 668 N ILE A 102 -4.078 -7.083 -18.942 1.00 35.22 N ATOM 669 CA ILE A 102 -2.917 -7.487 -18.143 1.00 33.89 C ATOM 670 C ILE A 102 -2.964 -8.965 -17.776 1.00 37.18 C ATOM 671 O ILE A 102 -1.946 -9.642 -17.872 1.00 39.43 O ATOM 672 CB ILE A 102 -2.744 -6.549 -16.899 1.00 36.04 C ATOM 673 CG1 ILE A 102 -2.047 -5.232 -17.283 1.00 36.18 C ATOM 674 CG2 ILE A 102 -1.952 -7.202 -15.775 1.00 35.55 C ATOM 675 CD1 ILE A 102 -2.858 -4.246 -17.959 1.00 45.49 C ATOM 676 H ILE A 102 -4.652 -6.288 -18.595 1.00 0.00 H ATOM 677 N LEU A 103 -4.121 -9.463 -17.373 1.00 32.44 N ATOM 678 CA LEU A 103 -4.264 -10.837 -16.918 1.00 32.84 C ATOM 679 C LEU A 103 -4.417 -11.919 -17.987 1.00 41.81 C ATOM 680 O LEU A 103 -4.373 -13.097 -17.631 1.00 42.22 O ATOM 681 CB LEU A 103 -5.435 -10.916 -15.931 1.00 32.59 C ATOM 682 CG LEU A 103 -5.127 -10.386 -14.523 1.00 37.25 C ATOM 683 CD1 LEU A 103 -6.385 -10.086 -13.784 1.00 37.74 C ATOM 684 CD2 LEU A 103 -4.262 -11.359 -13.735 1.00 38.98 C ATOM 685 H LEU A 103 -4.960 -8.849 -17.382 1.00 0.00 H ATOM 686 N THR A 104 -4.583 -11.555 -19.270 1.00 41.52 N ATOM 687 CA THR A 104 -4.798 -12.540 -20.340 1.00 42.42 C ATOM 688 C THR A 104 -3.848 -12.443 -21.584 1.00 48.92 C ATOM 689 O THR A 104 -4.211 -12.994 -22.631 1.00 49.17 O ATOM 690 CB THR A 104 -6.278 -12.481 -20.803 1.00 47.81 C ATOM 691 OG1 THR A 104 -6.543 -11.183 -21.322 1.00 48.98 O ATOM 692 CG2 THR A 104 -7.278 -12.815 -19.705 1.00 43.95 C ATOM 693 HG1 THR A 104 -6.384 -10.508 -20.616 1.00 0.00 H ATOM 694 H THR A 104 -4.559 -10.544 -19.514 1.00 0.00 H ATOM 695 N VAL A 105 -2.646 -11.791 -21.467 1.00 45.78 N ATOM 696 CA VAL A 105 -1.628 -11.613 -22.529 1.00 70.08 C ATOM 697 C VAL A 105 -1.352 -12.909 -23.321 1.00114.18 C ATOM 698 O VAL A 105 -0.846 -13.887 -22.771 1.00 83.20 O ATOM 699 CB VAL A 105 -0.313 -10.989 -21.982 1.00 74.19 C ATOM 700 CG1 VAL A 105 0.768 -10.912 -23.063 1.00 74.19 C ATOM 701 CG2 VAL A 105 -0.558 -9.611 -21.367 1.00 74.12 C ATOM 702 H VAL A 105 -2.427 -11.380 -20.537 1.00 0.00 H TER 703 VAL A 105 ATOM 704 N GLY A 125 2.460 -7.927 -15.359 1.00 61.84 N ATOM 705 CA GLY A 125 2.332 -7.766 -16.807 1.00 62.01 C ATOM 706 C GLY A 125 2.213 -9.091 -17.543 1.00 65.19 C ATOM 707 O GLY A 125 1.100 -9.606 -17.754 1.00 63.25 O ATOM 708 HN3 GLY A 125 3.312 -8.485 -15.147 1.00 0.00 H ATOM 709 HN2 GLY A 125 1.621 -8.420 -14.991 1.00 0.00 H ATOM 710 HN1 GLY A 125 2.537 -6.991 -14.913 1.00 0.00 H ATOM 711 N VAL A 126 3.380 -9.653 -17.944 1.00 61.75 N ATOM 712 CA VAL A 126 3.445 -10.953 -18.628 1.00 60.94 C ATOM 713 C VAL A 126 3.228 -11.996 -17.536 1.00 60.96 C ATOM 714 O VAL A 126 2.436 -12.930 -17.716 1.00 61.77 O ATOM 715 CB VAL A 126 4.767 -11.177 -19.432 1.00 65.19 C ATOM 716 CG1 VAL A 126 4.864 -12.611 -19.971 1.00 64.88 C ATOM 717 CG2 VAL A 126 4.891 -10.172 -20.580 1.00 64.86 C ATOM 718 H VAL A 126 4.267 -9.143 -17.760 1.00 0.00 H ATOM 719 N GLY A 127 3.895 -11.769 -16.401 1.00 52.36 N ATOM 720 CA GLY A 127 3.857 -12.615 -15.218 1.00 49.52 C ATOM 721 C GLY A 127 2.487 -12.976 -14.687 1.00 47.58 C ATOM 722 O GLY A 127 2.246 -14.148 -14.401 1.00 47.49 O ATOM 723 H GLY A 127 4.490 -10.917 -16.360 1.00 0.00 H ATOM 724 N SER A 128 1.591 -11.980 -14.527 1.00 40.44 N ATOM 725 CA SER A 128 0.217 -12.178 -14.019 1.00 38.96 C ATOM 726 C SER A 128 -0.571 -13.109 -14.946 1.00 40.85 C ATOM 727 O SER A 128 -1.279 -13.981 -14.453 1.00 40.22 O ATOM 728 CB SER A 128 -0.523 -10.848 -13.855 1.00 41.71 C ATOM 729 OG SER A 128 0.349 -9.772 -13.555 1.00 50.87 O ATOM 730 HG SER A 128 -0.177 -8.939 -13.459 1.00 0.00 H ATOM 731 H SER A 128 1.885 -11.014 -14.776 1.00 0.00 H ATOM 732 N SER A 129 -0.421 -12.927 -16.285 1.00 36.94 N ATOM 733 CA SER A 129 -1.040 -13.719 -17.359 1.00 36.53 C ATOM 734 C SER A 129 -0.640 -15.166 -17.258 1.00 39.33 C ATOM 735 O SER A 129 -1.491 -16.041 -17.440 1.00 38.59 O ATOM 736 CB SER A 129 -0.573 -13.220 -18.724 1.00 40.82 C ATOM 737 OG SER A 129 -1.060 -11.917 -18.970 1.00 56.92 O ATOM 738 HG SER A 129 -0.723 -11.303 -18.271 1.00 0.00 H ATOM 739 H SER A 129 0.197 -12.145 -16.581 1.00 0.00 H ATOM 740 N VAL A 130 0.677 -15.419 -17.018 1.00 35.26 N ATOM 741 CA VAL A 130 1.249 -16.765 -16.887 1.00 34.60 C ATOM 742 C VAL A 130 0.630 -17.458 -15.662 1.00 35.54 C ATOM 743 O VAL A 130 0.176 -18.609 -15.779 1.00 35.01 O ATOM 744 CB VAL A 130 2.806 -16.737 -16.904 1.00 38.50 C ATOM 745 CG1 VAL A 130 3.407 -18.059 -16.440 1.00 38.22 C ATOM 746 CG2 VAL A 130 3.321 -16.375 -18.294 1.00 37.99 C ATOM 747 H VAL A 130 1.319 -14.606 -16.921 1.00 0.00 H ATOM 748 N VAL A 131 0.561 -16.738 -14.514 1.00 29.69 N ATOM 749 CA VAL A 131 -0.055 -17.282 -13.291 1.00 30.12 C ATOM 750 C VAL A 131 -1.530 -17.634 -13.603 1.00 35.32 C ATOM 751 O VAL A 131 -1.995 -18.697 -13.207 1.00 35.84 O ATOM 752 CB VAL A 131 0.095 -16.360 -12.026 1.00 32.92 C ATOM 753 CG1 VAL A 131 -0.759 -16.857 -10.868 1.00 32.00 C ATOM 754 CG2 VAL A 131 1.561 -16.223 -11.589 1.00 32.04 C ATOM 755 H VAL A 131 0.954 -15.775 -14.497 1.00 0.00 H ATOM 756 N ASN A 132 -2.241 -16.755 -14.333 1.00 31.40 N ATOM 757 CA ASN A 132 -3.642 -16.956 -14.712 1.00 31.17 C ATOM 758 C ASN A 132 -3.851 -18.197 -15.597 1.00 36.59 C ATOM 759 O ASN A 132 -4.834 -18.935 -15.406 1.00 38.37 O ATOM 760 CB ASN A 132 -4.183 -15.713 -15.413 1.00 30.15 C ATOM 761 CG ASN A 132 -5.680 -15.675 -15.527 1.00 45.88 C ATOM 762 OD1 ASN A 132 -6.391 -16.334 -14.767 1.00 30.22 O ATOM 763 ND2 ASN A 132 -6.191 -14.891 -16.482 1.00 36.54 N ATOM 764 HD22 ASN A 132 -5.558 -14.350 -17.104 1.00 0.00 H ATOM 765 HD21 ASN A 132 -7.222 -14.823 -16.602 1.00 0.00 H ATOM 766 H ASN A 132 -1.769 -15.883 -14.646 1.00 0.00 H ATOM 767 N ALA A 133 -2.922 -18.411 -16.551 1.00 30.84 N ATOM 768 CA ALA A 133 -2.907 -19.491 -17.527 1.00 30.79 C ATOM 769 C ALA A 133 -2.653 -20.836 -16.885 1.00 34.81 C ATOM 770 O ALA A 133 -3.199 -21.832 -17.341 1.00 32.91 O ATOM 771 CB ALA A 133 -1.824 -19.218 -18.564 1.00 31.90 C ATOM 772 H ALA A 133 -2.134 -17.734 -16.594 1.00 0.00 H ATOM 773 N LEU A 134 -1.789 -20.854 -15.838 1.00 33.19 N ATOM 774 CA LEU A 134 -1.344 -22.018 -15.073 1.00 32.39 C ATOM 775 C LEU A 134 -2.221 -22.317 -13.885 1.00 33.29 C ATOM 776 O LEU A 134 -1.896 -23.207 -13.101 1.00 33.16 O ATOM 777 CB LEU A 134 0.104 -21.775 -14.619 1.00 33.28 C ATOM 778 CG LEU A 134 1.292 -22.298 -15.472 1.00 38.53 C ATOM 779 CD1 LEU A 134 1.039 -22.199 -16.988 1.00 40.32 C ATOM 780 CD2 LEU A 134 2.546 -21.508 -15.146 1.00 38.49 C ATOM 781 H LEU A 134 -1.399 -19.935 -15.547 1.00 0.00 H ATOM 782 N SER A 135 -3.349 -21.601 -13.765 1.00 29.47 N ATOM 783 CA SER A 135 -4.338 -21.741 -12.686 1.00 28.78 C ATOM 784 C SER A 135 -5.665 -22.221 -13.240 1.00 32.09 C ATOM 785 O SER A 135 -6.138 -21.695 -14.235 1.00 31.27 O ATOM 786 CB SER A 135 -4.556 -20.402 -11.965 1.00 31.33 C ATOM 787 OG SER A 135 -3.412 -19.865 -11.319 1.00 28.60 O ATOM 788 HG SER A 135 -2.699 -19.711 -11.988 1.00 0.00 H ATOM 789 H SER A 135 -3.540 -20.887 -14.497 1.00 0.00 H ATOM 790 N GLN A 136 -6.275 -23.210 -12.596 1.00 30.31 N ATOM 791 CA GLN A 136 -7.583 -23.734 -13.004 1.00 30.08 C ATOM 792 C GLN A 136 -8.693 -22.708 -12.704 1.00 35.16 C ATOM 793 O GLN A 136 -9.761 -22.734 -13.318 1.00 35.07 O ATOM 794 CB GLN A 136 -7.894 -25.083 -12.324 1.00 30.53 C ATOM 795 CG GLN A 136 -7.467 -25.200 -10.871 1.00 35.47 C ATOM 796 CD GLN A 136 -7.811 -26.568 -10.335 1.00 51.84 C ATOM 797 OE1 GLN A 136 -7.114 -27.570 -10.586 1.00 47.69 O ATOM 798 NE2 GLN A 136 -8.901 -26.639 -9.591 1.00 37.35 N ATOM 799 HE22 GLN A 136 -9.459 -25.782 -9.402 1.00 0.00 H ATOM 800 HE21 GLN A 136 -9.201 -27.552 -9.194 1.00 0.00 H ATOM 801 H GLN A 136 -5.806 -23.630 -11.768 1.00 0.00 H ATOM 802 N ASP A 137 -8.441 -21.823 -11.735 1.00 32.15 N ATOM 803 CA ASP A 137 -9.366 -20.764 -11.334 1.00 31.92 C ATOM 804 C ASP A 137 -8.569 -19.607 -10.770 1.00 33.19 C ATOM 805 O ASP A 137 -7.629 -19.810 -10.008 1.00 37.54 O ATOM 806 CB ASP A 137 -10.400 -21.267 -10.304 1.00 34.47 C ATOM 807 CG ASP A 137 -11.546 -22.111 -10.854 1.00 47.24 C ATOM 808 OD1 ASP A 137 -12.413 -21.548 -11.585 1.00 45.84 O ATOM 809 OD2 ASP A 137 -11.592 -23.327 -10.536 1.00 56.30 O ATOM 810 H ASP A 137 -7.531 -21.892 -11.236 1.00 0.00 H ATOM 811 N LEU A 138 -8.898 -18.413 -11.186 1.00 23.95 N ATOM 812 CA LEU A 138 -8.269 -17.167 -10.734 1.00 21.21 C ATOM 813 C LEU A 138 -9.344 -16.096 -10.651 1.00 23.67 C ATOM 814 O LEU A 138 -10.156 -15.945 -11.585 1.00 19.62 O ATOM 815 CB LEU A 138 -7.099 -16.710 -11.615 1.00 19.69 C ATOM 816 CG LEU A 138 -6.248 -15.578 -11.086 1.00 22.46 C ATOM 817 CD1 LEU A 138 -4.763 -15.814 -11.376 1.00 20.79 C ATOM 818 CD2 LEU A 138 -6.695 -14.239 -11.652 1.00 26.14 C ATOM 819 H LEU A 138 -9.661 -18.341 -11.889 1.00 0.00 H ATOM 820 N GLU A 139 -9.361 -15.395 -9.493 1.00 21.00 N ATOM 821 CA GLU A 139 -10.280 -14.310 -9.219 1.00 21.89 C ATOM 822 C GLU A 139 -9.519 -13.027 -8.884 1.00 25.40 C ATOM 823 O GLU A 139 -8.528 -13.053 -8.162 1.00 23.11 O ATOM 824 CB GLU A 139 -11.251 -14.660 -8.097 1.00 23.30 C ATOM 825 CG GLU A 139 -12.224 -15.768 -8.421 1.00 32.07 C ATOM 826 CD GLU A 139 -12.848 -16.399 -7.193 1.00 54.84 C ATOM 827 OE1 GLU A 139 -12.657 -15.868 -6.073 1.00 50.15 O ATOM 828 OE2 GLU A 139 -13.534 -17.433 -7.352 1.00 57.48 O ATOM 829 H GLU A 139 -8.673 -15.651 -8.756 1.00 0.00 H ATOM 830 N VAL A 140 -9.994 -11.915 -9.427 1.00 24.03 N ATOM 831 CA VAL A 140 -9.449 -10.583 -9.202 1.00 24.34 C ATOM 832 C VAL A 140 -10.578 -9.660 -8.762 1.00 29.04 C ATOM 833 O VAL A 140 -11.659 -9.635 -9.366 1.00 26.91 O ATOM 834 CB VAL A 140 -8.611 -9.994 -10.378 1.00 28.84 C ATOM 835 CG1 VAL A 140 -9.462 -9.743 -11.632 1.00 28.86 C ATOM 836 CG2 VAL A 140 -7.886 -8.711 -9.953 1.00 28.63 C ATOM 837 H VAL A 140 -10.815 -12.000 -10.059 1.00 0.00 H ATOM 838 N TYR A 141 -10.313 -8.931 -7.677 1.00 27.70 N ATOM 839 CA TYR A 141 -11.185 -7.918 -7.102 1.00 27.14 C ATOM 840 C TYR A 141 -10.367 -6.633 -7.094 1.00 32.87 C ATOM 841 O TYR A 141 -9.272 -6.587 -6.525 1.00 32.01 O ATOM 842 CB TYR A 141 -11.608 -8.304 -5.696 1.00 27.04 C ATOM 843 CG TYR A 141 -12.513 -9.507 -5.663 1.00 28.51 C ATOM 844 CD1 TYR A 141 -11.991 -10.793 -5.546 1.00 28.84 C ATOM 845 CD2 TYR A 141 -13.898 -9.362 -5.718 1.00 30.67 C ATOM 846 CE1 TYR A 141 -12.824 -11.905 -5.495 1.00 29.61 C ATOM 847 CE2 TYR A 141 -14.741 -10.466 -5.649 1.00 30.86 C ATOM 848 CZ TYR A 141 -14.199 -11.733 -5.544 1.00 38.69 C ATOM 849 OH TYR A 141 -15.037 -12.809 -5.491 1.00 43.92 O ATOM 850 HH TYR A 141 -14.502 -13.639 -5.417 1.00 0.00 H ATOM 851 H TYR A 141 -9.404 -9.101 -7.201 1.00 0.00 H ATOM 852 N VAL A 142 -10.868 -5.613 -7.771 1.00 31.49 N ATOM 853 CA VAL A 142 -10.189 -4.329 -7.846 1.00 31.25 C ATOM 854 C VAL A 142 -11.016 -3.336 -7.044 1.00 35.53 C ATOM 855 O VAL A 142 -12.236 -3.267 -7.220 1.00 35.90 O ATOM 856 CB VAL A 142 -9.950 -3.884 -9.313 1.00 35.00 C ATOM 857 CG1 VAL A 142 -9.497 -2.430 -9.397 1.00 34.49 C ATOM 858 CG2 VAL A 142 -8.936 -4.797 -10.008 1.00 34.93 C ATOM 859 H VAL A 142 -11.775 -5.733 -8.265 1.00 0.00 H ATOM 860 N HIS A 143 -10.355 -2.616 -6.122 1.00 30.52 N ATOM 861 CA HIS A 143 -10.964 -1.571 -5.310 1.00 28.83 C ATOM 862 C HIS A 143 -10.374 -0.287 -5.910 1.00 33.69 C ATOM 863 O HIS A 143 -9.179 -0.001 -5.752 1.00 35.09 O ATOM 864 CB HIS A 143 -10.611 -1.727 -3.821 1.00 28.41 C ATOM 865 CG HIS A 143 -11.367 -2.793 -3.086 1.00 31.37 C ATOM 866 ND1 HIS A 143 -11.345 -4.128 -3.496 1.00 32.83 N ATOM 867 CD2 HIS A 143 -12.086 -2.707 -1.939 1.00 32.13 C ATOM 868 CE1 HIS A 143 -12.071 -4.792 -2.604 1.00 31.10 C ATOM 869 NE2 HIS A 143 -12.533 -3.986 -1.649 1.00 31.35 N ATOM 870 H HIS A 143 -9.345 -2.817 -5.979 1.00 0.00 H ATOM 871 N ARG A 144 -11.190 0.432 -6.675 1.00 29.34 N ATOM 872 CA ARG A 144 -10.808 1.674 -7.366 1.00 29.15 C ATOM 873 C ARG A 144 -12.076 2.449 -7.667 1.00 32.21 C ATOM 874 O ARG A 144 -13.117 1.821 -7.879 1.00 33.06 O ATOM 875 CB ARG A 144 -10.106 1.327 -8.701 1.00 29.63 C ATOM 876 CG ARG A 144 -9.162 2.390 -9.263 1.00 24.53 C ATOM 877 CD ARG A 144 -8.637 1.907 -10.602 1.00 18.89 C ATOM 878 NE ARG A 144 -8.043 2.976 -11.408 1.00 15.03 N ATOM 879 CZ ARG A 144 -6.746 3.296 -11.391 1.00 32.65 C ATOM 880 NH1 ARG A 144 -5.904 2.649 -10.596 1.00 23.59 N ATOM 881 NH2 ARG A 144 -6.290 4.278 -12.150 1.00 18.94 N ATOM 882 HE ARG A 144 -8.671 3.521 -12.033 1.00 0.00 H ATOM 883 HH12 ARG A 144 -4.896 2.904 -10.589 1.00 0.00 H ATOM 884 HH11 ARG A 144 -6.252 1.887 -9.980 1.00 0.00 H ATOM 885 HH22 ARG A 144 -5.279 4.522 -12.132 1.00 0.00 H ATOM 886 HH21 ARG A 144 -6.942 4.806 -12.765 1.00 0.00 H ATOM 887 H ARG A 144 -12.166 0.093 -6.793 1.00 0.00 H ATOM 888 N ASN A 145 -12.005 3.808 -7.668 1.00 27.71 N ATOM 889 CA ASN A 145 -13.126 4.731 -7.965 1.00 26.45 C ATOM 890 C ASN A 145 -14.347 4.477 -7.089 1.00 31.53 C ATOM 891 O ASN A 145 -15.478 4.498 -7.586 1.00 31.75 O ATOM 892 CB ASN A 145 -13.537 4.661 -9.460 1.00 20.06 C ATOM 893 CG ASN A 145 -12.380 4.490 -10.415 1.00 37.75 C ATOM 894 OD1 ASN A 145 -12.377 3.607 -11.283 1.00 29.06 O ATOM 895 ND2 ASN A 145 -11.377 5.340 -10.282 1.00 35.31 N ATOM 896 HD22 ASN A 145 -11.409 6.071 -9.543 1.00 0.00 H ATOM 897 HD21 ASN A 145 -10.555 5.278 -10.917 1.00 0.00 H ATOM 898 H ASN A 145 -11.085 4.236 -7.441 1.00 0.00 H ATOM 899 N GLU A 146 -14.111 4.204 -5.792 1.00 28.63 N ATOM 900 CA GLU A 146 -15.107 3.904 -4.748 1.00 28.27 C ATOM 901 C GLU A 146 -16.000 2.665 -5.089 1.00 33.43 C ATOM 902 O GLU A 146 -16.976 2.396 -4.392 1.00 33.67 O ATOM 903 CB GLU A 146 -15.930 5.147 -4.385 1.00 29.49 C ATOM 904 CG GLU A 146 -15.073 6.387 -4.162 1.00 41.56 C ATOM 905 CD GLU A 146 -15.736 7.549 -3.453 1.00 68.97 C ATOM 906 OE1 GLU A 146 -16.338 8.401 -4.147 1.00 73.74 O ATOM 907 OE2 GLU A 146 -15.641 7.618 -2.206 1.00 65.48 O ATOM 908 H GLU A 146 -13.115 4.205 -5.494 1.00 0.00 H ATOM 909 N THR A 147 -15.617 1.885 -6.122 1.00 29.70 N ATOM 910 CA THR A 147 -16.331 0.675 -6.575 1.00 29.27 C ATOM 911 C THR A 147 -15.449 -0.605 -6.400 1.00 31.78 C ATOM 912 O THR A 147 -14.206 -0.525 -6.378 1.00 30.74 O ATOM 913 CB THR A 147 -16.683 0.870 -8.075 1.00 37.24 C ATOM 914 OG1 THR A 147 -17.116 2.212 -8.302 1.00 33.64 O ATOM 915 CG2 THR A 147 -17.718 -0.117 -8.592 1.00 37.25 C ATOM 916 HG1 THR A 147 -16.391 2.838 -8.052 1.00 0.00 H ATOM 917 H THR A 147 -14.755 2.157 -6.637 1.00 0.00 H ATOM 918 N ILE A 148 -16.104 -1.779 -6.302 1.00 27.28 N ATOM 919 CA ILE A 148 -15.442 -3.089 -6.233 1.00 26.00 C ATOM 920 C ILE A 148 -15.752 -3.771 -7.583 1.00 32.37 C ATOM 921 O ILE A 148 -16.914 -3.985 -7.895 1.00 33.05 O ATOM 922 CB ILE A 148 -15.802 -3.940 -4.991 1.00 27.22 C ATOM 923 CG1 ILE A 148 -15.512 -3.171 -3.677 1.00 25.31 C ATOM 924 CG2 ILE A 148 -15.013 -5.260 -5.030 1.00 29.44 C ATOM 925 CD1 ILE A 148 -15.990 -3.851 -2.407 1.00 13.91 C ATOM 926 H ILE A 148 -17.143 -1.756 -6.273 1.00 0.00 H ATOM 927 N TYR A 149 -14.719 -4.023 -8.401 1.00 30.02 N ATOM 928 CA TYR A 149 -14.793 -4.623 -9.742 1.00 29.92 C ATOM 929 C TYR A 149 -14.337 -6.087 -9.678 1.00 33.76 C ATOM 930 O TYR A 149 -13.325 -6.371 -9.039 1.00 34.38 O ATOM 931 CB TYR A 149 -13.878 -3.858 -10.716 1.00 31.35 C ATOM 932 CG TYR A 149 -14.211 -2.391 -10.898 1.00 33.90 C ATOM 933 CD1 TYR A 149 -13.652 -1.421 -10.072 1.00 34.14 C ATOM 934 CD2 TYR A 149 -15.059 -1.970 -11.919 1.00 36.33 C ATOM 935 CE1 TYR A 149 -13.927 -0.072 -10.256 1.00 35.22 C ATOM 936 CE2 TYR A 149 -15.336 -0.623 -12.115 1.00 37.85 C ATOM 937 CZ TYR A 149 -14.766 0.324 -11.281 1.00 48.76 C ATOM 938 OH TYR A 149 -15.052 1.656 -11.453 1.00 56.31 O ATOM 939 HH TYR A 149 -14.563 2.187 -10.776 1.00 0.00 H ATOM 940 H TYR A 149 -13.773 -3.769 -8.053 1.00 0.00 H ATOM 941 N HIS A 150 -15.053 -7.012 -10.351 1.00 28.55 N ATOM 942 CA HIS A 150 -14.702 -8.430 -10.294 1.00 27.28 C ATOM 943 C HIS A 150 -14.745 -9.158 -11.641 1.00 33.00 C ATOM 944 O HIS A 150 -15.611 -8.928 -12.491 1.00 31.94 O ATOM 945 CB HIS A 150 -15.591 -9.142 -9.243 1.00 27.13 C ATOM 946 CG HIS A 150 -15.435 -10.626 -9.142 1.00 30.32 C ATOM 947 ND1 HIS A 150 -14.206 -11.213 -8.934 1.00 32.80 N ATOM 948 CD2 HIS A 150 -16.371 -11.597 -9.190 1.00 31.61 C ATOM 949 CE1 HIS A 150 -14.429 -12.519 -8.889 1.00 31.46 C ATOM 950 NE2 HIS A 150 -15.715 -12.796 -9.041 1.00 31.34 N ATOM 951 H HIS A 150 -15.869 -6.711 -10.921 1.00 0.00 H ATOM 952 N GLN A 151 -13.766 -10.052 -11.808 1.00 30.94 N ATOM 953 CA GLN A 151 -13.619 -10.953 -12.935 1.00 30.63 C ATOM 954 C GLN A 151 -12.966 -12.256 -12.475 1.00 33.18 C ATOM 955 O GLN A 151 -12.008 -12.229 -11.700 1.00 32.81 O ATOM 956 CB GLN A 151 -12.844 -10.333 -14.100 1.00 31.76 C ATOM 957 CG GLN A 151 -13.190 -11.028 -15.421 1.00 36.87 C ATOM 958 CD GLN A 151 -12.625 -10.374 -16.646 1.00 50.83 C ATOM 959 OE1 GLN A 151 -11.575 -9.722 -16.608 1.00 45.78 O ATOM 960 NE2 GLN A 151 -13.304 -10.551 -17.775 1.00 41.24 N ATOM 961 HE22 GLN A 151 -14.184 -11.105 -17.771 1.00 0.00 H ATOM 962 HE21 GLN A 151 -12.955 -10.135 -18.662 1.00 0.00 H ATOM 963 H GLN A 151 -13.044 -10.107 -11.062 1.00 0.00 H ATOM 964 N ALA A 152 -13.501 -13.388 -12.954 1.00 27.89 N ATOM 965 CA ALA A 152 -12.990 -14.735 -12.702 1.00 25.82 C ATOM 966 C ALA A 152 -12.561 -15.336 -14.049 1.00 30.04 C ATOM 967 O ALA A 152 -13.096 -14.991 -15.110 1.00 30.68 O ATOM 968 CB ALA A 152 -14.043 -15.595 -12.032 1.00 25.85 C ATOM 969 H ALA A 152 -14.347 -13.301 -13.553 1.00 0.00 H ATOM 970 N TYR A 153 -11.551 -16.196 -14.003 1.00 26.49 N ATOM 971 CA TYR A 153 -10.954 -16.869 -15.166 1.00 24.15 C ATOM 972 C TYR A 153 -10.821 -18.375 -14.904 1.00 28.99 C ATOM 973 O TYR A 153 -10.840 -18.830 -13.743 1.00 28.40 O ATOM 974 CB TYR A 153 -9.554 -16.265 -15.449 1.00 23.11 C ATOM 975 CG TYR A 153 -9.494 -14.745 -15.469 1.00 20.99 C ATOM 976 CD1 TYR A 153 -9.275 -14.024 -14.301 1.00 20.93 C ATOM 977 CD2 TYR A 153 -9.645 -14.031 -16.660 1.00 21.28 C ATOM 978 CE1 TYR A 153 -9.229 -12.637 -14.306 1.00 22.04 C ATOM 979 CE2 TYR A 153 -9.589 -12.637 -16.682 1.00 19.04 C ATOM 980 CZ TYR A 153 -9.392 -11.941 -15.494 1.00 33.26 C ATOM 981 OH TYR A 153 -9.333 -10.556 -15.444 1.00 38.96 O ATOM 982 HH TYR A 153 -10.185 -10.178 -15.779 1.00 0.00 H ATOM 983 H TYR A 153 -11.149 -16.411 -13.068 1.00 0.00 H ATOM 984 N LYS A 154 -10.702 -19.153 -15.976 1.00 27.39 N ATOM 985 CA LYS A 154 -10.481 -20.617 -15.899 1.00 27.45 C ATOM 986 C LYS A 154 -9.414 -20.892 -16.942 1.00 35.45 C ATOM 987 O LYS A 154 -9.602 -20.553 -18.109 1.00 36.33 O ATOM 988 CB LYS A 154 -11.748 -21.419 -16.179 1.00 28.06 C ATOM 989 CG LYS A 154 -12.720 -21.502 -15.017 1.00 28.94 C ATOM 990 CD LYS A 154 -13.847 -22.484 -15.370 1.00 36.71 C ATOM 991 CE LYS A 154 -14.937 -22.610 -14.336 1.00 33.33 C ATOM 992 NZ LYS A 154 -14.359 -22.979 -13.016 1.00 30.44 N ATOM 993 HZ1 LYS A 154 -13.863 -23.889 -13.099 1.00 0.00 H ATOM 994 HZ2 LYS A 154 -13.689 -22.243 -12.715 1.00 0.00 H ATOM 995 HZ3 LYS A 154 -15.123 -23.062 -12.315 1.00 0.00 H ATOM 996 H LYS A 154 -10.767 -18.712 -16.916 1.00 0.00 H ATOM 997 N LYS A 155 -8.261 -21.407 -16.515 1.00 34.06 N ATOM 998 CA LYS A 155 -7.107 -21.706 -17.374 1.00 34.35 C ATOM 999 C LYS A 155 -6.641 -20.474 -18.182 1.00 41.54 C ATOM 1000 O LYS A 155 -6.053 -20.618 -19.256 1.00 43.15 O ATOM 1001 CB LYS A 155 -7.376 -22.942 -18.266 1.00 35.58 C ATOM 1002 CG LYS A 155 -7.527 -24.254 -17.490 1.00 35.88 C ATOM 1003 CD LYS A 155 -7.841 -25.405 -18.425 1.00 47.96 C ATOM 1004 CE LYS A 155 -7.892 -26.757 -17.756 1.00 65.88 C ATOM 1005 NZ LYS A 155 -8.149 -27.843 -18.746 1.00 76.37 N ATOM 1006 HZ1 LYS A 155 -9.060 -27.672 -19.217 1.00 0.00 H ATOM 1007 HZ2 LYS A 155 -7.387 -27.852 -19.454 1.00 0.00 H ATOM 1008 HZ3 LYS A 155 -8.178 -28.759 -18.254 1.00 0.00 H ATOM 1009 H LYS A 155 -8.172 -21.612 -15.499 1.00 0.00 H ATOM 1010 N GLY A 156 -6.906 -19.281 -17.646 1.00 37.70 N ATOM 1011 CA GLY A 156 -6.541 -18.001 -18.257 1.00 36.52 C ATOM 1012 C GLY A 156 -7.639 -17.373 -19.089 1.00 39.47 C ATOM 1013 O GLY A 156 -7.480 -16.252 -19.586 1.00 38.37 O ATOM 1014 H GLY A 156 -7.405 -19.259 -16.734 1.00 0.00 H ATOM 1015 N VAL A 157 -8.762 -18.103 -19.243 1.00 36.99 N ATOM 1016 CA VAL A 157 -9.927 -17.729 -20.054 1.00 36.89 C ATOM 1017 C VAL A 157 -10.964 -16.984 -19.247 1.00 40.24 C ATOM 1018 O VAL A 157 -11.542 -17.585 -18.335 1.00 39.97 O ATOM 1019 CB VAL A 157 -10.599 -18.964 -20.758 1.00 40.55 C ATOM 1020 CG1 VAL A 157 -11.741 -18.531 -21.685 1.00 39.92 C ATOM 1021 CG2 VAL A 157 -9.585 -19.836 -21.495 1.00 40.04 C ATOM 1022 H VAL A 157 -8.807 -19.013 -18.742 1.00 0.00 H ATOM 1023 N PRO A 158 -11.295 -15.724 -19.637 1.00 36.46 N ATOM 1024 CA PRO A 158 -12.340 -14.970 -18.911 1.00 35.74 C ATOM 1025 C PRO A 158 -13.696 -15.667 -18.926 1.00 40.38 C ATOM 1026 O PRO A 158 -14.215 -15.988 -19.992 1.00 40.90 O ATOM 1027 CB PRO A 158 -12.378 -13.618 -19.646 1.00 36.75 C ATOM 1028 CG PRO A 158 -11.029 -13.497 -20.279 1.00 40.83 C ATOM 1029 CD PRO A 158 -10.700 -14.900 -20.712 1.00 36.87 C ATOM 1030 N GLN A 159 -14.261 -15.910 -17.742 1.00 36.70 N ATOM 1031 CA GLN A 159 -15.558 -16.576 -17.580 1.00 36.21 C ATOM 1032 C GLN A 159 -16.741 -15.644 -17.809 1.00 39.31 C ATOM 1033 O GLN A 159 -17.835 -16.112 -18.138 1.00 40.46 O ATOM 1034 CB GLN A 159 -15.665 -17.221 -16.178 1.00 37.68 C ATOM 1035 CG GLN A 159 -14.715 -18.398 -15.947 1.00 49.19 C ATOM 1036 CD GLN A 159 -14.831 -19.437 -17.032 1.00 61.91 C ATOM 1037 OE1 GLN A 159 -14.034 -19.472 -17.972 1.00 54.12 O ATOM 1038 NE2 GLN A 159 -15.833 -20.294 -16.928 1.00 56.47 N ATOM 1039 HE22 GLN A 159 -16.486 -20.235 -16.121 1.00 0.00 H ATOM 1040 HE21 GLN A 159 -15.968 -21.027 -17.653 1.00 0.00 H ATOM 1041 H GLN A 159 -13.753 -15.610 -16.885 1.00 0.00 H ATOM 1042 N PHE A 160 -16.534 -14.334 -17.590 1.00 33.04 N ATOM 1043 CA PHE A 160 -17.548 -13.283 -17.733 1.00 31.03 C ATOM 1044 C PHE A 160 -16.864 -11.934 -17.781 1.00 37.41 C ATOM 1045 O PHE A 160 -15.752 -11.818 -17.282 1.00 39.53 O ATOM 1046 CB PHE A 160 -18.549 -13.318 -16.566 1.00 30.93 C ATOM 1047 CG PHE A 160 -17.988 -13.317 -15.153 1.00 30.37 C ATOM 1048 CD1 PHE A 160 -17.661 -12.120 -14.513 1.00 30.48 C ATOM 1049 CD2 PHE A 160 -17.818 -14.511 -14.452 1.00 30.75 C ATOM 1050 CE1 PHE A 160 -17.178 -12.113 -13.195 1.00 30.14 C ATOM 1051 CE2 PHE A 160 -17.334 -14.505 -13.133 1.00 32.35 C ATOM 1052 CZ PHE A 160 -17.027 -13.301 -12.512 1.00 29.56 C ATOM 1053 H PHE A 160 -15.580 -14.042 -17.296 1.00 0.00 H ATOM 1054 N ASP A 161 -17.524 -10.918 -18.343 1.00 34.31 N ATOM 1055 CA ASP A 161 -17.011 -9.543 -18.446 1.00 34.56 C ATOM 1056 C ASP A 161 -16.864 -8.903 -17.056 1.00 40.28 C ATOM 1057 O ASP A 161 -17.561 -9.298 -16.118 1.00 40.72 O ATOM 1058 CB ASP A 161 -17.931 -8.670 -19.333 1.00 35.67 C ATOM 1059 CG ASP A 161 -17.820 -8.901 -20.841 1.00 47.79 C ATOM 1060 OD1 ASP A 161 -17.187 -9.897 -21.252 1.00 47.91 O ATOM 1061 OD2 ASP A 161 -18.365 -8.084 -21.607 1.00 57.53 O ATOM 1062 H ASP A 161 -18.467 -11.113 -18.736 1.00 0.00 H ATOM 1063 N LEU A 162 -15.951 -7.923 -16.927 1.00 36.32 N ATOM 1064 CA LEU A 162 -15.740 -7.215 -15.672 1.00 34.90 C ATOM 1065 C LEU A 162 -17.075 -6.599 -15.233 1.00 38.96 C ATOM 1066 O LEU A 162 -17.730 -5.881 -15.989 1.00 39.09 O ATOM 1067 CB LEU A 162 -14.631 -6.152 -15.807 1.00 34.24 C ATOM 1068 CG LEU A 162 -14.093 -5.565 -14.490 1.00 37.31 C ATOM 1069 CD1 LEU A 162 -13.234 -6.580 -13.705 1.00 35.55 C ATOM 1070 CD2 LEU A 162 -13.341 -4.300 -14.742 1.00 36.22 C ATOM 1071 H LEU A 162 -15.376 -7.662 -17.753 1.00 0.00 H ATOM 1072 N LYS A 163 -17.485 -6.955 -14.028 1.00 34.86 N ATOM 1073 CA LYS A 163 -18.724 -6.558 -13.398 1.00 33.92 C ATOM 1074 C LYS A 163 -18.423 -5.750 -12.123 1.00 40.01 C ATOM 1075 O LYS A 163 -17.362 -5.919 -11.519 1.00 40.58 O ATOM 1076 CB LYS A 163 -19.521 -7.838 -13.045 1.00 34.13 C ATOM 1077 H LYS A 163 -16.857 -7.579 -13.482 1.00 0.00 H ATOM 1078 N GLU A 164 -19.363 -4.886 -11.714 1.00 36.10 N ATOM 1079 CA GLU A 164 -19.257 -4.093 -10.495 1.00 35.74 C ATOM 1080 C GLU A 164 -20.063 -4.873 -9.486 1.00 39.63 C ATOM 1081 O GLU A 164 -21.217 -5.224 -9.743 1.00 40.89 O ATOM 1082 CB GLU A 164 -19.795 -2.672 -10.703 1.00 37.30 C ATOM 1083 CG GLU A 164 -18.988 -1.925 -11.749 1.00 45.46 C ATOM 1084 CD GLU A 164 -19.443 -0.529 -12.096 1.00 60.77 C ATOM 1085 OE1 GLU A 164 -20.062 0.140 -11.235 1.00 56.18 O ATOM 1086 OE2 GLU A 164 -19.161 -0.101 -13.239 1.00 52.05 O ATOM 1087 H GLU A 164 -20.216 -4.775 -12.299 1.00 0.00 H ATOM 1088 N VAL A 165 -19.432 -5.210 -8.371 1.00 35.30 N ATOM 1089 CA VAL A 165 -20.003 -6.068 -7.328 1.00 34.62 C ATOM 1090 C VAL A 165 -20.094 -5.390 -5.959 1.00 38.30 C ATOM 1091 O VAL A 165 -20.548 -6.016 -4.995 1.00 37.81 O ATOM 1092 CB VAL A 165 -19.214 -7.430 -7.257 1.00 36.90 C ATOM 1093 CG1 VAL A 165 -19.235 -8.158 -8.607 1.00 36.01 C ATOM 1094 CG2 VAL A 165 -17.774 -7.238 -6.767 1.00 35.68 C ATOM 1095 H VAL A 165 -18.470 -4.842 -8.226 1.00 0.00 H ATOM 1096 N GLY A 166 -19.654 -4.136 -5.872 1.00 33.63 N ATOM 1097 CA GLY A 166 -19.694 -3.445 -4.594 1.00 32.60 C ATOM 1098 C GLY A 166 -19.203 -2.026 -4.574 1.00 33.45 C ATOM 1099 O GLY A 166 -18.913 -1.460 -5.625 1.00 32.43 O ATOM 1100 H GLY A 166 -19.283 -3.653 -6.715 1.00 0.00 H ATOM 1101 N THR A 167 -19.161 -1.434 -3.361 1.00 30.49 N ATOM 1102 CA THR A 167 -18.705 -0.051 -3.134 1.00 31.60 C ATOM 1103 C THR A 167 -17.684 -0.072 -2.051 1.00 36.22 C ATOM 1104 O THR A 167 -17.786 -0.886 -1.135 1.00 36.23 O ATOM 1105 CB THR A 167 -19.844 0.957 -2.815 1.00 41.88 C ATOM 1106 OG1 THR A 167 -20.564 0.546 -1.642 1.00 43.32 O ATOM 1107 CG2 THR A 167 -20.781 1.197 -3.996 1.00 34.80 C ATOM 1108 HG1 THR A 167 -19.943 0.507 -0.872 1.00 0.00 H ATOM 1109 H THR A 167 -19.469 -1.988 -2.537 1.00 0.00 H ATOM 1110 N THR A 168 -16.691 0.825 -2.148 1.00 33.75 N ATOM 1111 CA THR A 168 -15.573 0.901 -1.212 1.00 32.71 C ATOM 1112 C THR A 168 -15.135 2.331 -0.936 1.00 37.24 C ATOM 1113 O THR A 168 -15.467 3.241 -1.682 1.00 35.89 O ATOM 1114 CB THR A 168 -14.423 -0.004 -1.743 1.00 33.50 C ATOM 1115 OG1 THR A 168 -13.365 -0.072 -0.799 1.00 36.40 O ATOM 1116 CG2 THR A 168 -13.900 0.408 -3.111 1.00 24.82 C ATOM 1117 HG1 THR A 168 -12.644 -0.651 -1.154 1.00 0.00 H ATOM 1118 H THR A 168 -16.719 1.505 -2.935 1.00 0.00 H ATOM 1119 N ASP A 169 -14.389 2.503 0.163 1.00 36.08 N ATOM 1120 CA ASP A 169 -13.763 3.730 0.667 1.00 35.90 C ATOM 1121 C ASP A 169 -12.207 3.550 0.488 1.00 39.58 C ATOM 1122 O ASP A 169 -11.436 4.509 0.544 1.00 40.65 O ATOM 1123 CB ASP A 169 -14.087 3.860 2.174 1.00 37.51 C ATOM 1124 H ASP A 169 -14.232 1.650 0.737 1.00 0.00 H ATOM 1125 N LYS A 170 -11.778 2.295 0.291 1.00 33.21 N ATOM 1126 CA LYS A 170 -10.398 1.858 0.150 1.00 31.50 C ATOM 1127 C LYS A 170 -9.970 1.629 -1.314 1.00 33.80 C ATOM 1128 O LYS A 170 -10.809 1.560 -2.215 1.00 32.66 O ATOM 1129 CB LYS A 170 -10.213 0.568 0.981 1.00 32.85 C ATOM 1130 H LYS A 170 -12.508 1.557 0.233 1.00 0.00 H ATOM 1131 N THR A 171 -8.650 1.569 -1.545 1.00 30.32 N ATOM 1132 CA THR A 171 -8.065 1.263 -2.859 1.00 30.22 C ATOM 1133 C THR A 171 -7.138 0.058 -2.624 1.00 31.19 C ATOM 1134 O THR A 171 -6.635 -0.116 -1.500 1.00 29.22 O ATOM 1135 CB THR A 171 -7.333 2.446 -3.571 1.00 37.64 C ATOM 1136 OG1 THR A 171 -6.114 2.779 -2.885 1.00 41.98 O ATOM 1137 CG2 THR A 171 -8.212 3.670 -3.794 1.00 28.79 C ATOM 1138 HG1 THR A 171 -5.515 1.991 -2.877 1.00 0.00 H ATOM 1139 H THR A 171 -8.004 1.749 -0.750 1.00 0.00 H ATOM 1140 N GLY A 172 -6.946 -0.747 -3.673 1.00 26.43 N ATOM 1141 CA GLY A 172 -6.107 -1.939 -3.649 1.00 26.28 C ATOM 1142 C GLY A 172 -6.584 -3.075 -4.525 1.00 30.64 C ATOM 1143 O GLY A 172 -7.665 -3.003 -5.117 1.00 31.98 O ATOM 1144 H GLY A 172 -7.426 -0.508 -4.564 1.00 0.00 H ATOM 1145 N THR A 173 -5.776 -4.128 -4.627 1.00 26.88 N ATOM 1146 CA THR A 173 -6.090 -5.297 -5.464 1.00 26.74 C ATOM 1147 C THR A 173 -6.026 -6.561 -4.667 1.00 32.41 C ATOM 1148 O THR A 173 -5.133 -6.704 -3.838 1.00 34.71 O ATOM 1149 CB THR A 173 -5.153 -5.395 -6.691 1.00 27.94 C ATOM 1150 OG1 THR A 173 -5.167 -4.168 -7.443 1.00 29.69 O ATOM 1151 CG2 THR A 173 -5.502 -6.539 -7.591 1.00 20.79 C ATOM 1152 HG1 THR A 173 -4.861 -3.425 -6.865 1.00 0.00 H ATOM 1153 H THR A 173 -4.884 -4.124 -4.092 1.00 0.00 H ATOM 1154 N VAL A 174 -6.969 -7.490 -4.931 1.00 27.84 N ATOM 1155 CA VAL A 174 -7.069 -8.809 -4.309 1.00 25.92 C ATOM 1156 C VAL A 174 -7.018 -9.788 -5.477 1.00 30.41 C ATOM 1157 O VAL A 174 -7.865 -9.703 -6.365 1.00 30.03 O ATOM 1158 CB VAL A 174 -8.384 -8.987 -3.494 1.00 29.25 C ATOM 1159 CG1 VAL A 174 -8.452 -10.370 -2.857 1.00 29.28 C ATOM 1160 CG2 VAL A 174 -8.561 -7.904 -2.431 1.00 28.77 C ATOM 1161 H VAL A 174 -7.689 -7.245 -5.641 1.00 0.00 H ATOM 1162 N ILE A 175 -6.013 -10.694 -5.488 1.00 27.74 N ATOM 1163 CA ILE A 175 -5.831 -11.760 -6.483 1.00 26.32 C ATOM 1164 C ILE A 175 -5.881 -13.118 -5.773 1.00 31.20 C ATOM 1165 O ILE A 175 -5.058 -13.386 -4.896 1.00 32.16 O ATOM 1166 CB ILE A 175 -4.591 -11.565 -7.424 1.00 28.31 C ATOM 1167 CG1 ILE A 175 -4.906 -10.448 -8.460 1.00 27.70 C ATOM 1168 CG2 ILE A 175 -4.220 -12.905 -8.151 1.00 27.06 C ATOM 1169 CD1 ILE A 175 -3.769 -9.971 -9.389 1.00 31.41 C ATOM 1170 H ILE A 175 -5.308 -10.630 -4.726 1.00 0.00 H ATOM 1171 N ARG A 176 -6.879 -13.942 -6.117 1.00 27.88 N ATOM 1172 CA ARG A 176 -7.106 -15.295 -5.581 1.00 27.13 C ATOM 1173 C ARG A 176 -6.868 -16.327 -6.673 1.00 31.04 C ATOM 1174 O ARG A 176 -7.484 -16.234 -7.719 1.00 32.46 O ATOM 1175 CB ARG A 176 -8.565 -15.462 -5.175 1.00 26.75 C ATOM 1176 CG ARG A 176 -8.937 -14.921 -3.846 1.00 34.46 C ATOM 1177 CD ARG A 176 -10.308 -15.451 -3.556 1.00 36.15 C ATOM 1178 NE ARG A 176 -10.287 -16.711 -2.816 1.00 31.93 N ATOM 1179 CZ ARG A 176 -11.085 -17.733 -3.080 1.00 46.95 C ATOM 1180 NH1 ARG A 176 -11.935 -17.672 -4.095 1.00 42.01 N ATOM 1181 NH2 ARG A 176 -11.028 -18.833 -2.347 1.00 34.70 N ATOM 1182 HE ARG A 176 -9.605 -16.810 -2.037 1.00 0.00 H ATOM 1183 HH12 ARG A 176 -12.560 -18.478 -4.299 1.00 0.00 H ATOM 1184 HH11 ARG A 176 -11.977 -16.818 -4.688 1.00 0.00 H ATOM 1185 HH22 ARG A 176 -11.658 -19.633 -2.560 1.00 0.00 H ATOM 1186 HH21 ARG A 176 -10.353 -18.898 -1.558 1.00 0.00 H ATOM 1187 H ARG A 176 -7.555 -13.595 -6.827 1.00 0.00 H ATOM 1188 N PHE A 177 -6.035 -17.319 -6.441 1.00 27.02 N ATOM 1189 CA PHE A 177 -5.812 -18.333 -7.457 1.00 26.58 C ATOM 1190 C PHE A 177 -5.592 -19.737 -6.896 1.00 25.74 C ATOM 1191 O PHE A 177 -5.095 -19.905 -5.795 1.00 22.81 O ATOM 1192 CB PHE A 177 -4.657 -17.919 -8.394 1.00 29.51 C ATOM 1193 CG PHE A 177 -3.272 -17.914 -7.789 1.00 31.06 C ATOM 1194 CD1 PHE A 177 -2.483 -19.068 -7.804 1.00 33.99 C ATOM 1195 CD2 PHE A 177 -2.744 -16.753 -7.229 1.00 31.31 C ATOM 1196 CE1 PHE A 177 -1.205 -19.063 -7.247 1.00 34.86 C ATOM 1197 CE2 PHE A 177 -1.460 -16.746 -6.686 1.00 33.92 C ATOM 1198 CZ PHE A 177 -0.699 -17.899 -6.701 1.00 33.23 C ATOM 1199 H PHE A 177 -5.536 -17.377 -5.530 1.00 0.00 H ATOM 1200 N LYS A 178 -5.974 -20.733 -7.681 1.00 23.29 N ATOM 1201 CA LYS A 178 -5.830 -22.165 -7.416 1.00 22.77 C ATOM 1202 C LYS A 178 -4.982 -22.700 -8.570 1.00 26.84 C ATOM 1203 O LYS A 178 -5.388 -22.598 -9.710 1.00 28.68 O ATOM 1204 CB LYS A 178 -7.207 -22.849 -7.401 1.00 24.25 C ATOM 1205 CG LYS A 178 -7.145 -24.349 -7.244 1.00 22.99 C ATOM 1206 CD LYS A 178 -7.020 -24.824 -5.817 1.00 32.39 C ATOM 1207 CE LYS A 178 -6.975 -26.336 -5.740 1.00 39.93 C ATOM 1208 NZ LYS A 178 -5.604 -26.842 -6.002 1.00 59.39 N ATOM 1209 HZ1 LYS A 178 -5.303 -26.547 -6.953 1.00 0.00 H ATOM 1210 HZ2 LYS A 178 -4.950 -26.452 -5.293 1.00 0.00 H ATOM 1211 HZ3 LYS A 178 -5.602 -27.880 -5.943 1.00 0.00 H ATOM 1212 H LYS A 178 -6.424 -20.470 -8.581 1.00 0.00 H ATOM 1213 N ALA A 179 -3.807 -23.224 -8.277 1.00 23.14 N ATOM 1214 CA ALA A 179 -2.866 -23.773 -9.246 1.00 23.43 C ATOM 1215 C ALA A 179 -3.474 -24.972 -10.017 1.00 29.91 C ATOM 1216 O ALA A 179 -4.169 -25.795 -9.413 1.00 28.42 O ATOM 1217 CB ALA A 179 -1.597 -24.191 -8.521 1.00 23.84 C ATOM 1218 H ALA A 179 -3.530 -23.247 -7.275 1.00 0.00 H ATOM 1219 N ASP A 180 -3.239 -25.045 -11.353 1.00 29.47 N ATOM 1220 CA ASP A 180 -3.775 -26.127 -12.183 1.00 30.29 C ATOM 1221 C ASP A 180 -3.139 -27.462 -11.794 1.00 37.67 C ATOM 1222 O ASP A 180 -1.922 -27.661 -11.948 1.00 37.92 O ATOM 1223 CB ASP A 180 -3.606 -25.825 -13.693 1.00 32.21 C ATOM 1224 CG ASP A 180 -4.557 -26.563 -14.631 1.00 48.68 C ATOM 1225 OD1 ASP A 180 -4.751 -27.792 -14.453 1.00 50.01 O ATOM 1226 OD2 ASP A 180 -5.100 -25.921 -15.540 1.00 57.76 O ATOM 1227 H ASP A 180 -2.659 -24.308 -11.802 1.00 0.00 H ATOM 1228 N GLY A 181 -3.973 -28.356 -11.269 1.00 36.00 N ATOM 1229 CA GLY A 181 -3.545 -29.688 -10.868 1.00 36.62 C ATOM 1230 C GLY A 181 -3.078 -30.516 -12.052 1.00 44.88 C ATOM 1231 O GLY A 181 -2.198 -31.365 -11.890 1.00 47.21 O ATOM 1232 H GLY A 181 -4.971 -28.092 -11.140 1.00 0.00 H ATOM 1233 N GLU A 182 -3.647 -30.256 -13.263 1.00 41.61 N ATOM 1234 CA GLU A 182 -3.290 -30.934 -14.511 1.00 41.85 C ATOM 1235 C GLU A 182 -1.885 -30.506 -14.973 1.00 46.24 C ATOM 1236 O GLU A 182 -1.219 -31.276 -15.666 1.00 46.32 O ATOM 1237 CB GLU A 182 -4.321 -30.669 -15.621 1.00 43.54 C ATOM 1238 CG GLU A 182 -5.713 -31.242 -15.367 1.00 57.16 C ATOM 1239 CD GLU A 182 -6.792 -30.769 -16.329 1.00 86.43 C ATOM 1240 OE1 GLU A 182 -6.663 -31.005 -17.554 1.00 79.82 O ATOM 1241 OE2 GLU A 182 -7.771 -30.154 -15.849 1.00 88.64 O ATOM 1242 H GLU A 182 -4.386 -29.525 -13.304 1.00 0.00 H ATOM 1243 N ILE A 183 -1.435 -29.283 -14.577 1.00 41.66 N ATOM 1244 CA ILE A 183 -0.111 -28.736 -14.904 1.00 40.17 C ATOM 1245 C ILE A 183 0.907 -29.119 -13.807 1.00 43.77 C ATOM 1246 O ILE A 183 1.949 -29.706 -14.111 1.00 42.74 O ATOM 1247 CB ILE A 183 -0.190 -27.216 -15.227 1.00 42.12 C ATOM 1248 CG1 ILE A 183 -0.663 -27.049 -16.695 1.00 42.37 C ATOM 1249 CG2 ILE A 183 1.159 -26.517 -14.990 1.00 41.48 C ATOM 1250 CD1 ILE A 183 -0.954 -25.681 -17.167 1.00 53.65 C ATOM 1251 H ILE A 183 -2.073 -28.695 -14.003 1.00 0.00 H ATOM 1252 N PHE A 184 0.589 -28.800 -12.533 1.00 40.39 N ATOM 1253 CA PHE A 184 1.430 -29.147 -11.386 1.00 39.57 C ATOM 1254 C PHE A 184 0.970 -30.553 -10.943 1.00 45.04 C ATOM 1255 O PHE A 184 0.099 -30.705 -10.085 1.00 44.23 O ATOM 1256 CB PHE A 184 1.304 -28.073 -10.287 1.00 40.64 C ATOM 1257 CG PHE A 184 1.687 -26.693 -10.773 1.00 41.28 C ATOM 1258 CD1 PHE A 184 3.011 -26.271 -10.751 1.00 43.27 C ATOM 1259 CD2 PHE A 184 0.723 -25.817 -11.264 1.00 42.34 C ATOM 1260 CE1 PHE A 184 3.364 -25.001 -11.211 1.00 43.40 C ATOM 1261 CE2 PHE A 184 1.079 -24.555 -11.732 1.00 43.94 C ATOM 1262 CZ PHE A 184 2.395 -24.154 -11.697 1.00 41.93 C ATOM 1263 H PHE A 184 -0.296 -28.283 -12.359 1.00 0.00 H ATOM 1264 N THR A 185 1.511 -31.582 -11.621 1.00 43.44 N ATOM 1265 CA THR A 185 1.166 -33.001 -11.411 1.00 43.32 C ATOM 1266 C THR A 185 1.857 -33.622 -10.180 1.00 47.16 C ATOM 1267 O THR A 185 1.366 -34.624 -9.673 1.00 47.05 O ATOM 1268 CB THR A 185 1.413 -33.812 -12.689 1.00 49.69 C ATOM 1269 OG1 THR A 185 2.709 -33.491 -13.196 1.00 56.06 O ATOM 1270 CG2 THR A 185 0.374 -33.551 -13.753 1.00 45.43 C ATOM 1271 HG1 THR A 185 2.877 -34.011 -14.022 1.00 0.00 H ATOM 1272 H THR A 185 2.224 -31.361 -12.345 1.00 0.00 H ATOM 1273 N GLU A 186 2.974 -33.034 -9.704 1.00 43.49 N ATOM 1274 CA GLU A 186 3.703 -33.489 -8.521 1.00 43.52 C ATOM 1275 C GLU A 186 2.859 -33.087 -7.287 1.00 47.25 C ATOM 1276 O GLU A 186 1.998 -33.869 -6.870 1.00 48.11 O ATOM 1277 CB GLU A 186 5.144 -32.896 -8.488 1.00 45.34 C ATOM 1278 CG GLU A 186 5.825 -32.918 -7.116 1.00 61.22 C ATOM 1279 CD GLU A 186 7.264 -32.447 -7.007 1.00 89.87 C ATOM 1280 OE1 GLU A 186 8.084 -32.815 -7.881 1.00 95.30 O ATOM 1281 OE2 GLU A 186 7.577 -31.731 -6.026 1.00 78.70 O ATOM 1282 H GLU A 186 3.340 -32.203 -10.211 1.00 0.00 H ATOM 1283 N THR A 187 3.058 -31.854 -6.755 1.00 41.31 N ATOM 1284 CA THR A 187 2.335 -31.339 -5.590 1.00 39.52 C ATOM 1285 C THR A 187 1.566 -30.050 -5.887 1.00 37.48 C ATOM 1286 O THR A 187 1.921 -29.313 -6.809 1.00 37.32 O ATOM 1287 CB THR A 187 3.286 -31.196 -4.376 1.00 51.74 C ATOM 1288 OG1 THR A 187 2.506 -30.948 -3.204 1.00 55.61 O ATOM 1289 CG2 THR A 187 4.344 -30.095 -4.554 1.00 47.98 C ATOM 1290 HG1 THR A 187 3.107 -30.855 -2.423 1.00 0.00 H ATOM 1291 H THR A 187 3.767 -31.238 -7.202 1.00 0.00 H ATOM 1292 N THR A 188 0.507 -29.790 -5.105 1.00 31.01 N ATOM 1293 CA THR A 188 -0.312 -28.572 -5.223 1.00 29.89 C ATOM 1294 C THR A 188 -0.456 -27.916 -3.845 1.00 30.97 C ATOM 1295 O THR A 188 -1.234 -26.974 -3.670 1.00 31.22 O ATOM 1296 CB THR A 188 -1.641 -28.805 -5.982 1.00 37.45 C ATOM 1297 OG1 THR A 188 -2.236 -30.057 -5.603 1.00 38.32 O ATOM 1298 CG2 THR A 188 -1.473 -28.699 -7.498 1.00 31.24 C ATOM 1299 HG1 THR A 188 -3.083 -30.183 -6.101 1.00 0.00 H ATOM 1300 H THR A 188 0.251 -30.486 -4.376 1.00 0.00 H ATOM 1301 N VAL A 189 0.342 -28.413 -2.880 1.00 25.15 N ATOM 1302 CA VAL A 189 0.395 -27.973 -1.496 1.00 23.28 C ATOM 1303 C VAL A 189 1.634 -27.089 -1.317 1.00 30.95 C ATOM 1304 O VAL A 189 2.766 -27.520 -1.606 1.00 32.61 O ATOM 1305 CB VAL A 189 0.395 -29.167 -0.509 1.00 24.75 C ATOM 1306 CG1 VAL A 189 0.378 -28.680 0.925 1.00 23.93 C ATOM 1307 CG2 VAL A 189 -0.770 -30.114 -0.764 1.00 24.18 C ATOM 1308 H VAL A 189 0.982 -29.186 -3.152 1.00 0.00 H ATOM 1309 N TYR A 190 1.404 -25.846 -0.847 1.00 26.13 N ATOM 1310 CA TYR A 190 2.425 -24.849 -0.577 1.00 24.36 C ATOM 1311 C TYR A 190 3.109 -25.184 0.750 1.00 29.55 C ATOM 1312 O TYR A 190 2.452 -25.558 1.743 1.00 27.98 O ATOM 1313 CB TYR A 190 1.779 -23.417 -0.512 1.00 24.22 C ATOM 1314 CG TYR A 190 1.308 -22.940 -1.869 1.00 23.01 C ATOM 1315 CD1 TYR A 190 2.221 -22.515 -2.839 1.00 24.65 C ATOM 1316 CD2 TYR A 190 -0.031 -23.028 -2.232 1.00 21.75 C ATOM 1317 CE1 TYR A 190 1.803 -22.155 -4.121 1.00 22.55 C ATOM 1318 CE2 TYR A 190 -0.456 -22.685 -3.516 1.00 21.27 C ATOM 1319 CZ TYR A 190 0.461 -22.238 -4.453 1.00 24.77 C ATOM 1320 OH TYR A 190 0.031 -21.887 -5.713 1.00 24.77 O ATOM 1321 HH TYR A 190 0.806 -21.592 -6.254 1.00 0.00 H ATOM 1322 H TYR A 190 0.416 -25.580 -0.663 1.00 0.00 H ATOM 1323 N ASN A 191 4.436 -25.048 0.767 1.00 27.14 N ATOM 1324 CA ASN A 191 5.221 -25.259 1.979 1.00 26.88 C ATOM 1325 C ASN A 191 5.319 -23.842 2.606 1.00 32.50 C ATOM 1326 O ASN A 191 5.927 -22.922 2.021 1.00 30.28 O ATOM 1327 CB ASN A 191 6.592 -25.860 1.631 1.00 23.94 C ATOM 1328 CG ASN A 191 7.605 -25.926 2.738 1.00 39.99 C ATOM 1329 OD1 ASN A 191 8.215 -24.934 3.127 1.00 50.76 O ATOM 1330 ND2 ASN A 191 7.844 -27.098 3.247 1.00 31.74 N ATOM 1331 HD22 ASN A 191 7.319 -27.929 2.907 1.00 0.00 H ATOM 1332 HD21 ASN A 191 8.560 -27.204 3.994 1.00 0.00 H ATOM 1333 H ASN A 191 4.926 -24.783 -0.111 1.00 0.00 H ATOM 1334 N TYR A 192 4.664 -23.673 3.769 1.00 30.66 N ATOM 1335 CA TYR A 192 4.642 -22.420 4.523 1.00 31.00 C ATOM 1336 C TYR A 192 6.034 -21.817 4.674 1.00 36.71 C ATOM 1337 O TYR A 192 6.186 -20.621 4.412 1.00 37.81 O ATOM 1338 CB TYR A 192 4.042 -22.634 5.922 1.00 31.75 C ATOM 1339 CG TYR A 192 3.818 -21.339 6.671 1.00 34.31 C ATOM 1340 CD1 TYR A 192 2.630 -20.623 6.527 1.00 36.98 C ATOM 1341 CD2 TYR A 192 4.800 -20.815 7.509 1.00 34.22 C ATOM 1342 CE1 TYR A 192 2.420 -19.422 7.207 1.00 37.48 C ATOM 1343 CE2 TYR A 192 4.601 -19.615 8.193 1.00 35.14 C ATOM 1344 CZ TYR A 192 3.411 -18.920 8.035 1.00 42.62 C ATOM 1345 OH TYR A 192 3.191 -17.749 8.714 1.00 41.21 O ATOM 1346 HH TYR A 192 3.235 -17.920 9.688 1.00 0.00 H ATOM 1347 H TYR A 192 4.141 -24.484 4.156 1.00 0.00 H ATOM 1348 N GLU A 193 7.035 -22.634 5.132 1.00 31.68 N ATOM 1349 CA GLU A 193 8.422 -22.210 5.373 1.00 30.21 C ATOM 1350 C GLU A 193 9.078 -21.600 4.136 1.00 31.04 C ATOM 1351 O GLU A 193 9.741 -20.571 4.255 1.00 30.29 O ATOM 1352 CB GLU A 193 9.251 -23.346 5.962 1.00 31.47 C ATOM 1353 H GLU A 193 6.795 -23.628 5.323 1.00 0.00 H ATOM 1354 N THR A 194 8.871 -22.213 2.953 1.00 26.05 N ATOM 1355 CA THR A 194 9.369 -21.706 1.676 1.00 26.22 C ATOM 1356 C THR A 194 8.786 -20.285 1.431 1.00 33.06 C ATOM 1357 O THR A 194 9.513 -19.407 0.977 1.00 33.49 O ATOM 1358 CB THR A 194 8.982 -22.659 0.535 1.00 34.12 C ATOM 1359 OG1 THR A 194 9.542 -23.946 0.771 1.00 41.77 O ATOM 1360 CG2 THR A 194 9.442 -22.171 -0.808 1.00 30.07 C ATOM 1361 HG1 THR A 194 9.197 -24.303 1.628 1.00 0.00 H ATOM 1362 H THR A 194 8.325 -23.098 2.949 1.00 0.00 H ATOM 1363 N LEU A 195 7.476 -20.075 1.743 1.00 29.65 N ATOM 1364 CA LEU A 195 6.789 -18.793 1.573 1.00 28.60 C ATOM 1365 C LEU A 195 7.303 -17.748 2.565 1.00 32.59 C ATOM 1366 O LEU A 195 7.610 -16.636 2.162 1.00 33.97 O ATOM 1367 CB LEU A 195 5.250 -18.947 1.669 1.00 28.19 C ATOM 1368 CG LEU A 195 4.497 -19.707 0.550 1.00 30.99 C ATOM 1369 CD1 LEU A 195 3.025 -19.683 0.802 1.00 30.60 C ATOM 1370 CD2 LEU A 195 4.731 -19.113 -0.819 1.00 30.68 C ATOM 1371 H LEU A 195 6.931 -20.874 2.125 1.00 0.00 H ATOM 1372 N GLN A 196 7.398 -18.111 3.852 1.00 27.85 N ATOM 1373 CA GLN A 196 7.882 -17.286 4.960 1.00 27.20 C ATOM 1374 C GLN A 196 9.303 -16.743 4.689 1.00 35.77 C ATOM 1375 O GLN A 196 9.543 -15.549 4.895 1.00 35.64 O ATOM 1376 CB GLN A 196 7.814 -18.120 6.249 1.00 27.86 C ATOM 1377 CG GLN A 196 8.720 -17.688 7.380 1.00 40.74 C ATOM 1378 CD GLN A 196 8.677 -18.697 8.478 1.00 65.93 C ATOM 1379 OE1 GLN A 196 9.282 -19.773 8.388 1.00 68.01 O ATOM 1380 NE2 GLN A 196 7.963 -18.368 9.539 1.00 56.40 N ATOM 1381 HE22 GLN A 196 7.471 -17.452 9.571 1.00 0.00 H ATOM 1382 HE21 GLN A 196 7.893 -19.025 10.343 1.00 0.00 H ATOM 1383 H GLN A 196 7.097 -19.078 4.087 1.00 0.00 H ATOM 1384 N GLN A 197 10.226 -17.623 4.211 1.00 34.29 N ATOM 1385 CA GLN A 197 11.613 -17.283 3.890 1.00 35.04 C ATOM 1386 C GLN A 197 11.739 -16.213 2.820 1.00 38.82 C ATOM 1387 O GLN A 197 12.515 -15.282 2.998 1.00 41.22 O ATOM 1388 CB GLN A 197 12.421 -18.534 3.489 1.00 36.93 C ATOM 1389 CG GLN A 197 12.891 -19.367 4.685 1.00 44.22 C ATOM 1390 CD GLN A 197 13.380 -20.764 4.334 1.00 52.28 C ATOM 1391 OE1 GLN A 197 13.761 -21.078 3.197 1.00 46.39 O ATOM 1392 NE2 GLN A 197 13.381 -21.640 5.321 1.00 45.03 N ATOM 1393 HE22 GLN A 197 13.057 -21.357 6.268 1.00 0.00 H ATOM 1394 HE21 GLN A 197 13.705 -22.614 5.152 1.00 0.00 H ATOM 1395 H GLN A 197 9.924 -18.607 4.063 1.00 0.00 H ATOM 1396 N ARG A 198 11.001 -16.327 1.715 1.00 32.73 N ATOM 1397 CA ARG A 198 11.085 -15.314 0.667 1.00 31.96 C ATOM 1398 C ARG A 198 10.347 -14.046 1.081 1.00 36.21 C ATOM 1399 O ARG A 198 10.806 -12.954 0.752 1.00 38.06 O ATOM 1400 CB ARG A 198 10.602 -15.860 -0.687 1.00 31.77 C ATOM 1401 CG ARG A 198 10.613 -14.861 -1.853 1.00 45.70 C ATOM 1402 CD ARG A 198 11.966 -14.699 -2.529 1.00 59.65 C ATOM 1403 NE ARG A 198 11.940 -13.667 -3.574 1.00 80.05 N ATOM 1404 CZ ARG A 198 11.591 -13.879 -4.845 1.00 97.58 C ATOM 1405 NH1 ARG A 198 11.230 -15.092 -5.251 1.00 86.32 N ATOM 1406 NH2 ARG A 198 11.596 -12.877 -5.716 1.00 79.34 N ATOM 1407 HE ARG A 198 12.213 -12.701 -3.304 1.00 0.00 H ATOM 1408 HH12 ARG A 198 10.959 -15.249 -6.243 1.00 0.00 H ATOM 1409 HH11 ARG A 198 11.218 -15.884 -4.577 1.00 0.00 H ATOM 1410 HH22 ARG A 198 11.323 -13.047 -6.705 1.00 0.00 H ATOM 1411 HH21 ARG A 198 11.873 -11.923 -5.409 1.00 0.00 H ATOM 1412 H ARG A 198 10.363 -17.140 1.599 1.00 0.00 H ATOM 1413 N ILE A 199 9.223 -14.169 1.807 1.00 30.46 N ATOM 1414 CA ILE A 199 8.496 -12.979 2.241 1.00 29.72 C ATOM 1415 C ILE A 199 9.377 -12.157 3.220 1.00 31.65 C ATOM 1416 O ILE A 199 9.444 -10.941 3.069 1.00 30.71 O ATOM 1417 CB ILE A 199 7.060 -13.311 2.744 1.00 31.90 C ATOM 1418 CG1 ILE A 199 6.075 -13.246 1.558 1.00 31.40 C ATOM 1419 CG2 ILE A 199 6.598 -12.410 3.918 1.00 29.14 C ATOM 1420 CD1 ILE A 199 5.513 -14.541 1.116 1.00 34.18 C ATOM 1421 H ILE A 199 8.870 -15.114 2.060 1.00 0.00 H ATOM 1422 N ARG A 200 10.094 -12.825 4.150 1.00 27.93 N ATOM 1423 CA ARG A 200 10.994 -12.158 5.078 1.00 29.27 C ATOM 1424 C ARG A 200 12.082 -11.376 4.284 1.00 39.49 C ATOM 1425 O ARG A 200 12.346 -10.207 4.603 1.00 40.91 O ATOM 1426 CB ARG A 200 11.650 -13.168 6.028 1.00 28.20 C ATOM 1427 CG ARG A 200 12.728 -12.524 6.919 1.00 35.31 C ATOM 1428 CD ARG A 200 13.308 -13.479 7.922 1.00 35.61 C ATOM 1429 NE ARG A 200 14.075 -14.520 7.246 1.00 42.65 N ATOM 1430 CZ ARG A 200 14.625 -15.553 7.862 1.00 49.93 C ATOM 1431 NH1 ARG A 200 14.500 -15.694 9.172 1.00 41.78 N ATOM 1432 NH2 ARG A 200 15.309 -16.453 7.175 1.00 39.74 N ATOM 1433 HE ARG A 200 14.197 -14.445 6.216 1.00 0.00 H ATOM 1434 HH12 ARG A 200 14.935 -16.508 9.651 1.00 0.00 H ATOM 1435 HH11 ARG A 200 13.967 -14.990 9.722 1.00 0.00 H ATOM 1436 HH22 ARG A 200 15.740 -17.264 7.664 1.00 0.00 H ATOM 1437 HH21 ARG A 200 15.416 -16.350 6.146 1.00 0.00 H ATOM 1438 H ARG A 200 9.999 -13.859 4.205 1.00 0.00 H ATOM 1439 N GLU A 201 12.696 -12.027 3.250 1.00 36.20 N ATOM 1440 CA GLU A 201 13.721 -11.429 2.393 1.00 35.92 C ATOM 1441 C GLU A 201 13.169 -10.185 1.681 1.00 38.56 C ATOM 1442 O GLU A 201 13.842 -9.147 1.647 1.00 38.30 O ATOM 1443 CB GLU A 201 14.189 -12.448 1.342 1.00 37.76 C ATOM 1444 CG GLU A 201 15.671 -12.776 1.408 1.00 53.75 C ATOM 1445 CD GLU A 201 16.039 -14.223 1.118 1.00 85.75 C ATOM 1446 OE1 GLU A 201 15.376 -15.142 1.657 1.00 79.20 O ATOM 1447 OE2 GLU A 201 17.011 -14.436 0.359 1.00 86.48 O ATOM 1448 H GLU A 201 12.417 -13.011 3.060 1.00 0.00 H ATOM 1449 N LEU A 202 11.972 -10.262 1.160 1.00 33.26 N ATOM 1450 CA LEU A 202 11.425 -9.173 0.418 1.00 32.87 C ATOM 1451 C LEU A 202 11.061 -7.975 1.256 1.00 36.66 C ATOM 1452 O LEU A 202 11.201 -6.873 0.811 1.00 36.17 O ATOM 1453 CB LEU A 202 10.228 -9.627 -0.377 1.00 32.72 C ATOM 1454 CG LEU A 202 10.377 -10.584 -1.524 1.00 35.34 C ATOM 1455 CD1 LEU A 202 9.071 -11.285 -1.719 1.00 35.25 C ATOM 1456 CD2 LEU A 202 10.707 -9.836 -2.764 1.00 33.70 C ATOM 1457 H LEU A 202 11.411 -11.129 1.288 1.00 0.00 H ATOM 1458 N ALA A 203 10.555 -8.202 2.455 1.00 32.55 N ATOM 1459 CA ALA A 203 10.322 -7.141 3.410 1.00 31.40 C ATOM 1460 C ALA A 203 11.603 -6.476 3.878 1.00 34.55 C ATOM 1461 O ALA A 203 11.643 -5.310 4.090 1.00 33.25 O ATOM 1462 CB ALA A 203 9.472 -7.617 4.565 1.00 31.51 C ATOM 1463 H ALA A 203 10.316 -9.178 2.722 1.00 0.00 H ATOM 1464 N PHE A 204 12.643 -7.250 4.086 1.00 31.68 N ATOM 1465 CA PHE A 204 13.969 -6.710 4.310 1.00 30.76 C ATOM 1466 C PHE A 204 14.591 -5.956 3.131 1.00 35.31 C ATOM 1467 O PHE A 204 15.206 -4.962 3.327 1.00 35.64 O ATOM 1468 CB PHE A 204 14.897 -7.764 4.878 1.00 31.33 C ATOM 1469 CG PHE A 204 16.185 -7.228 5.352 1.00 31.52 C ATOM 1470 CD1 PHE A 204 16.294 -6.677 6.567 1.00 33.66 C ATOM 1471 CD2 PHE A 204 17.283 -7.281 4.566 1.00 32.25 C ATOM 1472 CE1 PHE A 204 17.476 -6.179 6.993 1.00 34.35 C ATOM 1473 CE2 PHE A 204 18.470 -6.782 4.977 1.00 34.63 C ATOM 1474 CZ PHE A 204 18.571 -6.233 6.194 1.00 33.08 C ATOM 1475 H PHE A 204 12.511 -8.282 4.090 1.00 0.00 H ATOM 1476 N LEU A 205 14.432 -6.440 1.918 1.00 33.04 N ATOM 1477 CA LEU A 205 14.885 -5.722 0.743 1.00 34.05 C ATOM 1478 C LEU A 205 14.155 -4.445 0.485 1.00 37.86 C ATOM 1479 O LEU A 205 14.709 -3.498 -0.006 1.00 37.74 O ATOM 1480 CB LEU A 205 14.869 -6.594 -0.496 1.00 34.84 C ATOM 1481 CG LEU A 205 15.919 -7.677 -0.477 1.00 41.24 C ATOM 1482 CD1 LEU A 205 15.684 -8.742 -1.512 1.00 41.84 C ATOM 1483 CD2 LEU A 205 17.280 -7.068 -0.612 1.00 42.87 C ATOM 1484 H LEU A 205 13.968 -7.363 1.799 1.00 0.00 H ATOM 1485 N ASN A 206 12.872 -4.454 0.758 1.00 33.75 N ATOM 1486 CA ASN A 206 12.055 -3.318 0.476 1.00 31.93 C ATOM 1487 C ASN A 206 11.496 -2.755 1.741 1.00 33.95 C ATOM 1488 O ASN A 206 10.413 -3.065 2.128 1.00 34.17 O ATOM 1489 CB ASN A 206 10.933 -3.715 -0.484 1.00 20.00 C ATOM 1490 CG ASN A 206 11.376 -4.705 -1.534 1.00 20.00 C ATOM 1491 OD1 ASN A 206 11.835 -4.337 -2.585 1.00 20.00 O ATOM 1492 ND2 ASN A 206 11.233 -5.968 -1.241 1.00 20.00 N ATOM 1493 HD22 ASN A 206 10.832 -6.247 -0.323 1.00 0.00 H ATOM 1494 HD21 ASN A 206 11.520 -6.696 -1.926 1.00 0.00 H ATOM 1495 H ASN A 206 12.444 -5.300 1.186 1.00 0.00 H ATOM 1496 N LYS A 207 12.292 -1.911 2.354 1.00 29.50 N ATOM 1497 CA LYS A 207 12.025 -1.296 3.614 1.00 29.67 C ATOM 1498 C LYS A 207 10.762 -0.480 3.692 1.00 33.30 C ATOM 1499 O LYS A 207 10.468 0.287 2.830 1.00 33.10 O ATOM 1500 CB LYS A 207 13.199 -0.409 3.948 1.00 32.85 C ATOM 1501 CG LYS A 207 14.530 -1.100 3.860 1.00 47.37 C ATOM 1502 CD LYS A 207 15.061 -1.406 5.237 1.00 55.05 C ATOM 1503 CE LYS A 207 16.074 -2.528 5.230 1.00 57.85 C ATOM 1504 NZ LYS A 207 16.237 -3.013 6.614 1.00 60.61 N ATOM 1505 HZ1 LYS A 207 16.571 -2.234 7.216 1.00 0.00 H ATOM 1506 HZ2 LYS A 207 15.323 -3.359 6.969 1.00 0.00 H ATOM 1507 HZ3 LYS A 207 16.932 -3.787 6.629 1.00 0.00 H ATOM 1508 H LYS A 207 13.188 -1.671 1.885 1.00 0.00 H ATOM 1509 N GLY A 208 10.040 -0.636 4.778 1.00 29.23 N ATOM 1510 CA GLY A 208 8.838 0.109 5.029 1.00 29.20 C ATOM 1511 C GLY A 208 7.543 -0.510 4.587 1.00 34.74 C ATOM 1512 O GLY A 208 6.497 -0.042 4.926 1.00 35.12 O ATOM 1513 H GLY A 208 10.352 -1.329 5.487 1.00 0.00 H ATOM 1514 N ILE A 209 7.629 -1.603 3.873 1.00 30.52 N ATOM 1515 CA ILE A 209 6.470 -2.308 3.446 1.00 29.72 C ATOM 1516 C ILE A 209 6.134 -3.388 4.422 1.00 31.85 C ATOM 1517 O ILE A 209 6.955 -4.163 4.767 1.00 30.17 O ATOM 1518 CB ILE A 209 6.702 -2.941 2.086 1.00 33.27 C ATOM 1519 CG1 ILE A 209 7.118 -1.888 1.085 1.00 35.77 C ATOM 1520 CG2 ILE A 209 5.467 -3.635 1.610 1.00 31.98 C ATOM 1521 CD1 ILE A 209 6.378 -0.561 1.192 1.00 48.34 C ATOM 1522 H ILE A 209 8.568 -1.965 3.611 1.00 0.00 H ATOM 1523 N GLN A 210 4.902 -3.416 4.865 1.00 28.31 N ATOM 1524 CA GLN A 210 4.441 -4.478 5.703 1.00 28.20 C ATOM 1525 C GLN A 210 3.912 -5.636 4.896 1.00 31.11 C ATOM 1526 O GLN A 210 2.999 -5.499 4.161 1.00 31.19 O ATOM 1527 CB GLN A 210 3.442 -3.983 6.701 1.00 29.45 C ATOM 1528 CG GLN A 210 3.617 -4.646 8.028 1.00 46.51 C ATOM 1529 CD GLN A 210 2.450 -4.449 8.939 1.00 74.15 C ATOM 1530 OE1 GLN A 210 1.318 -4.478 8.515 1.00 72.73 O ATOM 1531 NE2 GLN A 210 2.727 -4.252 10.210 1.00 67.52 N ATOM 1532 HE22 GLN A 210 3.716 -4.235 10.530 1.00 0.00 H ATOM 1533 HE21 GLN A 210 1.957 -4.113 10.895 1.00 0.00 H ATOM 1534 H GLN A 210 4.247 -2.652 4.602 1.00 0.00 H ATOM 1535 N ILE A 211 4.579 -6.763 5.025 1.00 26.39 N ATOM 1536 CA ILE A 211 4.195 -7.996 4.336 1.00 26.64 C ATOM 1537 C ILE A 211 3.810 -9.043 5.392 1.00 31.61 C ATOM 1538 O ILE A 211 4.616 -9.360 6.278 1.00 29.29 O ATOM 1539 CB ILE A 211 5.219 -8.535 3.285 1.00 28.97 C ATOM 1540 CG1 ILE A 211 5.847 -7.383 2.421 1.00 28.88 C ATOM 1541 CG2 ILE A 211 4.545 -9.615 2.423 1.00 28.44 C ATOM 1542 CD1 ILE A 211 6.975 -7.759 1.329 1.00 23.82 C ATOM 1543 H ILE A 211 5.415 -6.778 5.643 1.00 0.00 H ATOM 1544 N THR A 212 2.564 -9.547 5.299 1.00 30.55 N ATOM 1545 CA THR A 212 2.031 -10.543 6.223 1.00 31.12 C ATOM 1546 C THR A 212 1.742 -11.871 5.520 1.00 34.73 C ATOM 1547 O THR A 212 1.193 -11.897 4.424 1.00 33.51 O ATOM 1548 CB THR A 212 0.778 -10.003 6.932 1.00 40.87 C ATOM 1549 OG1 THR A 212 1.076 -8.719 7.471 1.00 43.19 O ATOM 1550 CG2 THR A 212 0.290 -10.928 8.063 1.00 39.74 C ATOM 1551 HG1 THR A 212 1.338 -8.107 6.738 1.00 0.00 H ATOM 1552 H THR A 212 1.951 -9.209 4.530 1.00 0.00 H ATOM 1553 N LEU A 213 2.104 -12.968 6.175 1.00 31.54 N ATOM 1554 CA LEU A 213 1.830 -14.305 5.691 1.00 30.69 C ATOM 1555 C LEU A 213 0.934 -14.981 6.718 1.00 32.96 C ATOM 1556 O LEU A 213 1.270 -14.996 7.879 1.00 31.02 O ATOM 1557 CB LEU A 213 3.117 -15.101 5.450 1.00 30.84 C ATOM 1558 CG LEU A 213 2.959 -16.508 4.903 1.00 36.05 C ATOM 1559 CD1 LEU A 213 2.393 -16.510 3.494 1.00 39.17 C ATOM 1560 CD2 LEU A 213 4.262 -17.212 4.929 1.00 37.02 C ATOM 1561 H LEU A 213 2.608 -12.862 7.078 1.00 0.00 H ATOM 1562 N ARG A 214 -0.211 -15.522 6.284 1.00 30.14 N ATOM 1563 CA ARG A 214 -1.161 -16.217 7.141 1.00 29.34 C ATOM 1564 C ARG A 214 -1.528 -17.589 6.514 1.00 29.30 C ATOM 1565 O ARG A 214 -1.868 -17.663 5.321 1.00 28.98 O ATOM 1566 CB ARG A 214 -2.398 -15.318 7.300 1.00 31.40 C ATOM 1567 CG ARG A 214 -3.575 -15.884 8.085 1.00 42.14 C ATOM 1568 CD ARG A 214 -4.656 -14.828 8.169 1.00 53.27 C ATOM 1569 NE ARG A 214 -5.778 -15.250 9.008 1.00 81.34 N ATOM 1570 CZ ARG A 214 -5.907 -14.965 10.304 1.00102.59 C ATOM 1571 NH1 ARG A 214 -4.971 -14.264 10.936 1.00 87.69 N ATOM 1572 NH2 ARG A 214 -6.972 -15.384 10.979 1.00 88.23 N ATOM 1573 HE ARG A 214 -6.529 -15.813 8.561 1.00 0.00 H ATOM 1574 HH12 ARG A 214 -5.079 -14.046 11.947 1.00 0.00 H ATOM 1575 HH11 ARG A 214 -4.131 -13.934 10.419 1.00 0.00 H ATOM 1576 HH22 ARG A 214 -7.068 -15.159 11.990 1.00 0.00 H ATOM 1577 HH21 ARG A 214 -7.709 -15.937 10.496 1.00 0.00 H ATOM 1578 H ARG A 214 -0.436 -15.441 5.272 1.00 0.00 H ATOM 1579 N ASP A 215 -1.425 -18.671 7.305 1.00 22.72 N ATOM 1580 CA ASP A 215 -1.825 -20.021 6.847 1.00 20.71 C ATOM 1581 C ASP A 215 -3.188 -20.298 7.487 1.00 25.13 C ATOM 1582 O ASP A 215 -3.304 -20.319 8.715 1.00 26.25 O ATOM 1583 CB ASP A 215 -0.822 -21.120 7.229 1.00 20.73 C ATOM 1584 CG ASP A 215 -1.065 -22.475 6.573 1.00 28.25 C ATOM 1585 OD1 ASP A 215 -1.991 -22.583 5.759 1.00 35.71 O ATOM 1586 OD2 ASP A 215 -0.316 -23.430 6.870 1.00 24.48 O ATOM 1587 H ASP A 215 -1.053 -18.556 8.269 1.00 0.00 H ATOM 1588 N GLU A 216 -4.216 -20.452 6.671 1.00 21.36 N ATOM 1589 CA GLU A 216 -5.564 -20.734 7.174 1.00 22.18 C ATOM 1590 C GLU A 216 -6.046 -22.095 6.652 1.00 27.57 C ATOM 1591 O GLU A 216 -7.244 -22.275 6.572 1.00 28.49 O ATOM 1592 CB GLU A 216 -6.576 -19.682 6.684 1.00 23.55 C ATOM 1593 CG GLU A 216 -6.330 -18.252 7.108 1.00 39.72 C ATOM 1594 CD GLU A 216 -7.293 -17.275 6.465 1.00 61.93 C ATOM 1595 OE1 GLU A 216 -7.849 -17.594 5.388 1.00 48.42 O ATOM 1596 OE2 GLU A 216 -7.492 -16.183 7.041 1.00 66.54 O ATOM 1597 H GLU A 216 -4.065 -20.371 5.645 1.00 0.00 H ATOM 1598 N ARG A 217 -5.163 -23.021 6.254 1.00 26.10 N ATOM 1599 CA ARG A 217 -5.631 -24.313 5.715 1.00 27.63 C ATOM 1600 C ARG A 217 -6.395 -25.150 6.720 1.00 34.61 C ATOM 1601 O ARG A 217 -7.359 -25.814 6.352 1.00 33.73 O ATOM 1602 CB ARG A 217 -4.509 -25.120 5.081 1.00 24.36 C ATOM 1603 CG ARG A 217 -4.241 -24.694 3.681 1.00 21.37 C ATOM 1604 CD ARG A 217 -2.936 -25.289 3.209 1.00 34.19 C ATOM 1605 NE ARG A 217 -1.787 -24.754 3.939 1.00 29.68 N ATOM 1606 CZ ARG A 217 -0.521 -24.954 3.588 1.00 37.81 C ATOM 1607 NH1 ARG A 217 -0.228 -25.657 2.498 1.00 18.23 N ATOM 1608 NH2 ARG A 217 0.462 -24.437 4.312 1.00 13.70 N ATOM 1609 HE ARG A 217 -1.973 -24.181 4.787 1.00 0.00 H ATOM 1610 HH12 ARG A 217 0.765 -25.810 2.229 1.00 0.00 H ATOM 1611 HH11 ARG A 217 -0.992 -26.054 1.914 1.00 0.00 H ATOM 1612 HH22 ARG A 217 1.452 -24.596 4.034 1.00 0.00 H ATOM 1613 HH21 ARG A 217 0.244 -23.873 5.158 1.00 0.00 H ATOM 1614 H ARG A 217 -4.143 -22.829 6.325 1.00 0.00 H ATOM 1615 N ASP A 218 -5.970 -25.104 7.978 1.00 34.74 N ATOM 1616 CA ASP A 218 -6.646 -25.796 9.042 1.00 37.05 C ATOM 1617 C ASP A 218 -7.087 -24.775 10.081 1.00 43.95 C ATOM 1618 O ASP A 218 -6.292 -24.332 10.915 1.00 42.25 O ATOM 1619 CB ASP A 218 -5.791 -26.924 9.648 1.00 40.27 C ATOM 1620 CG ASP A 218 -6.495 -27.714 10.742 1.00 57.36 C ATOM 1621 OD1 ASP A 218 -7.722 -27.964 10.609 1.00 59.19 O ATOM 1622 OD2 ASP A 218 -5.826 -28.082 11.724 1.00 67.47 O ATOM 1623 H ASP A 218 -5.119 -24.549 8.201 1.00 0.00 H ATOM 1624 N GLU A 219 -8.379 -24.414 10.010 1.00 43.53 N ATOM 1625 CA GLU A 219 -9.120 -23.481 10.869 1.00 45.00 C ATOM 1626 C GLU A 219 -8.850 -23.695 12.383 1.00 48.86 C ATOM 1627 O GLU A 219 -9.154 -22.814 13.178 1.00 48.99 O ATOM 1628 CB GLU A 219 -10.640 -23.619 10.595 1.00 47.33 C ATOM 1629 CG GLU A 219 -11.062 -23.592 9.124 1.00 64.94 C ATOM 1630 CD GLU A 219 -10.977 -24.880 8.309 1.00 91.24 C ATOM 1631 OE1 GLU A 219 -10.458 -25.898 8.828 1.00 66.27 O ATOM 1632 OE2 GLU A 219 -11.426 -24.863 7.138 1.00 90.95 O ATOM 1633 H GLU A 219 -8.928 -24.854 9.244 1.00 0.00 H ATOM 1634 N GLU A 220 -8.290 -24.863 12.765 1.00 44.73 N ATOM 1635 CA GLU A 220 -7.949 -25.253 14.138 1.00 43.21 C ATOM 1636 C GLU A 220 -6.573 -24.735 14.593 1.00 42.65 C ATOM 1637 O GLU A 220 -6.350 -24.584 15.789 1.00 41.58 O ATOM 1638 CB GLU A 220 -8.082 -26.771 14.317 1.00 44.47 C ATOM 1639 CG GLU A 220 -9.521 -27.240 14.154 1.00 52.23 C ATOM 1640 CD GLU A 220 -9.795 -28.707 14.420 1.00 73.07 C ATOM 1641 OE1 GLU A 220 -8.856 -29.531 14.317 1.00 60.57 O ATOM 1642 OE2 GLU A 220 -10.964 -29.032 14.728 1.00 72.76 O ATOM 1643 H GLU A 220 -8.080 -25.552 12.015 1.00 0.00 H ATOM 1644 N ASN A 221 -5.666 -24.475 13.640 1.00 38.08 N ATOM 1645 CA ASN A 221 -4.342 -23.904 13.850 1.00 37.60 C ATOM 1646 C ASN A 221 -4.033 -22.890 12.736 1.00 41.66 C ATOM 1647 O ASN A 221 -3.632 -23.267 11.620 1.00 41.21 O ATOM 1648 CB ASN A 221 -3.233 -24.946 13.983 1.00 40.96 C ATOM 1649 CG ASN A 221 -1.843 -24.310 13.942 1.00 71.92 C ATOM 1650 OD1 ASN A 221 -1.509 -23.423 14.738 1.00 61.59 O ATOM 1651 ND2 ASN A 221 -1.012 -24.722 12.986 1.00 67.47 N ATOM 1652 HD22 ASN A 221 -1.309 -25.468 12.325 1.00 0.00 H ATOM 1653 HD21 ASN A 221 -0.067 -24.297 12.900 1.00 0.00 H ATOM 1654 H ASN A 221 -5.932 -24.702 12.661 1.00 0.00 H ATOM 1655 N VAL A 222 -4.226 -21.597 13.050 1.00 37.43 N ATOM 1656 CA VAL A 222 -3.975 -20.493 12.114 1.00 36.23 C ATOM 1657 C VAL A 222 -2.661 -19.821 12.520 1.00 37.80 C ATOM 1658 O VAL A 222 -2.609 -19.167 13.553 1.00 38.83 O ATOM 1659 CB VAL A 222 -5.154 -19.482 12.085 1.00 39.58 C ATOM 1660 CG1 VAL A 222 -4.872 -18.339 11.115 1.00 39.20 C ATOM 1661 CG2 VAL A 222 -6.476 -20.173 11.757 1.00 39.07 C ATOM 1662 H VAL A 222 -4.570 -21.367 14.004 1.00 0.00 H ATOM 1663 N ARG A 223 -1.604 -20.014 11.729 1.00 31.74 N ATOM 1664 CA ARG A 223 -0.269 -19.444 11.957 1.00 29.38 C ATOM 1665 C ARG A 223 -0.157 -18.184 11.103 1.00 31.14 C ATOM 1666 O ARG A 223 -0.685 -18.139 9.986 1.00 31.21 O ATOM 1667 CB ARG A 223 0.848 -20.468 11.591 1.00 26.44 C ATOM 1668 H ARG A 223 -1.735 -20.612 10.889 1.00 0.00 H ATOM 1669 N GLU A 224 0.525 -17.155 11.619 1.00 26.37 N ATOM 1670 CA GLU A 224 0.711 -15.883 10.913 1.00 24.12 C ATOM 1671 C GLU A 224 2.091 -15.299 11.202 1.00 26.63 C ATOM 1672 O GLU A 224 2.564 -15.410 12.330 1.00 27.04 O ATOM 1673 CB GLU A 224 -0.406 -14.906 11.305 1.00 24.92 C ATOM 1674 CG GLU A 224 -0.660 -13.830 10.275 1.00 39.37 C ATOM 1675 CD GLU A 224 -1.670 -12.772 10.661 1.00 60.08 C ATOM 1676 OE1 GLU A 224 -1.357 -11.939 11.541 1.00 51.74 O ATOM 1677 OE2 GLU A 224 -2.775 -12.773 10.077 1.00 65.85 O ATOM 1678 H GLU A 224 0.943 -17.262 12.565 1.00 0.00 H ATOM 1679 N ASP A 225 2.729 -14.679 10.192 1.00 23.43 N ATOM 1680 CA ASP A 225 4.043 -14.023 10.257 1.00 24.04 C ATOM 1681 C ASP A 225 4.014 -12.618 9.653 1.00 27.59 C ATOM 1682 O ASP A 225 3.808 -12.440 8.444 1.00 26.13 O ATOM 1683 CB ASP A 225 5.158 -14.886 9.631 1.00 26.87 C ATOM 1684 CG ASP A 225 5.639 -15.985 10.576 1.00 43.01 C ATOM 1685 OD1 ASP A 225 5.020 -17.070 10.587 1.00 47.19 O ATOM 1686 OD2 ASP A 225 6.637 -15.752 11.311 1.00 45.87 O ATOM 1687 H ASP A 225 2.243 -14.662 9.273 1.00 0.00 H ATOM 1688 N SER A 226 4.215 -11.612 10.503 1.00 25.50 N ATOM 1689 CA SER A 226 4.198 -10.224 10.049 1.00 25.77 C ATOM 1690 C SER A 226 5.581 -9.639 9.970 1.00 29.62 C ATOM 1691 O SER A 226 6.266 -9.616 10.990 1.00 30.16 O ATOM 1692 CB SER A 226 3.314 -9.370 10.945 1.00 28.68 C ATOM 1693 OG SER A 226 1.944 -9.652 10.700 1.00 43.67 O ATOM 1694 HG SER A 226 1.732 -9.455 9.753 1.00 0.00 H ATOM 1695 H SER A 226 4.387 -11.819 11.508 1.00 0.00 H ATOM 1696 N TYR A 227 5.991 -9.174 8.773 1.00 25.18 N ATOM 1697 CA TYR A 227 7.294 -8.539 8.584 1.00 27.44 C ATOM 1698 C TYR A 227 7.147 -7.063 8.227 1.00 32.24 C ATOM 1699 O TYR A 227 6.245 -6.698 7.478 1.00 31.73 O ATOM 1700 CB TYR A 227 8.167 -9.255 7.535 1.00 29.75 C ATOM 1701 CG TYR A 227 8.361 -10.724 7.807 1.00 32.05 C ATOM 1702 CD1 TYR A 227 9.306 -11.162 8.728 1.00 34.23 C ATOM 1703 CD2 TYR A 227 7.591 -11.679 7.158 1.00 32.58 C ATOM 1704 CE1 TYR A 227 9.500 -12.519 8.968 1.00 34.51 C ATOM 1705 CE2 TYR A 227 7.763 -13.037 7.406 1.00 33.60 C ATOM 1706 CZ TYR A 227 8.715 -13.451 8.318 1.00 41.27 C ATOM 1707 OH TYR A 227 8.874 -14.783 8.591 1.00 44.57 O ATOM 1708 HH TYR A 227 9.593 -14.898 9.261 1.00 0.00 H ATOM 1709 H TYR A 227 5.357 -9.271 7.954 1.00 0.00 H ATOM 1710 N HIS A 228 8.033 -6.226 8.760 1.00 29.23 N ATOM 1711 CA HIS A 228 8.054 -4.788 8.514 1.00 30.12 C ATOM 1712 C HIS A 228 9.408 -4.234 8.933 1.00 33.61 C ATOM 1713 O HIS A 228 9.675 -4.081 10.131 1.00 32.60 O ATOM 1714 CB HIS A 228 6.906 -4.070 9.254 1.00 32.06 C ATOM 1715 CG HIS A 228 6.832 -2.617 8.932 1.00 37.13 C ATOM 1716 ND1 HIS A 228 6.577 -1.685 9.901 1.00 39.90 N ATOM 1717 CD2 HIS A 228 7.031 -1.981 7.753 1.00 40.29 C ATOM 1718 CE1 HIS A 228 6.605 -0.515 9.285 1.00 39.76 C ATOM 1719 NE2 HIS A 228 6.883 -0.650 7.993 1.00 40.07 N ATOM 1720 H HIS A 228 8.757 -6.622 9.393 1.00 0.00 H ATOM 1721 N TYR A 229 10.273 -3.942 7.962 1.00 30.42 N ATOM 1722 CA TYR A 229 11.591 -3.445 8.336 1.00 31.40 C ATOM 1723 C TYR A 229 11.785 -1.988 8.071 1.00 40.39 C ATOM 1724 O TYR A 229 11.635 -1.546 6.939 1.00 40.21 O ATOM 1725 CB TYR A 229 12.722 -4.243 7.679 1.00 31.47 C ATOM 1726 CG TYR A 229 12.749 -5.704 8.044 1.00 31.79 C ATOM 1727 CD1 TYR A 229 12.064 -6.642 7.282 1.00 31.25 C ATOM 1728 CD2 TYR A 229 13.499 -6.162 9.131 1.00 33.26 C ATOM 1729 CE1 TYR A 229 12.104 -7.993 7.597 1.00 32.28 C ATOM 1730 CE2 TYR A 229 13.542 -7.517 9.460 1.00 30.77 C ATOM 1731 CZ TYR A 229 12.830 -8.428 8.695 1.00 36.28 C ATOM 1732 OH TYR A 229 12.836 -9.775 8.980 1.00 34.35 O ATOM 1733 HH TYR A 229 12.271 -10.253 8.322 1.00 0.00 H ATOM 1734 H TYR A 229 10.014 -4.066 6.962 1.00 0.00 H ATOM 1735 N GLU A 230 12.137 -1.239 9.116 1.00 41.92 N ATOM 1736 CA GLU A 230 12.456 0.186 9.004 1.00 44.52 C ATOM 1737 C GLU A 230 13.927 0.199 8.530 1.00 52.01 C ATOM 1738 O GLU A 230 14.325 1.072 7.754 1.00 52.11 O ATOM 1739 CB GLU A 230 12.323 0.893 10.370 1.00 46.43 C ATOM 1740 CG GLU A 230 10.893 1.033 10.878 1.00 61.52 C ATOM 1741 CD GLU A 230 10.019 2.011 10.112 1.00 89.45 C ATOM 1742 OE1 GLU A 230 10.034 3.217 10.453 1.00 81.07 O ATOM 1743 OE2 GLU A 230 9.316 1.568 9.173 1.00 85.50 O ATOM 1744 H GLU A 230 12.187 -1.687 10.053 1.00 0.00 H ATOM 1745 N GLY A 231 14.672 -0.829 8.984 1.00 50.17 N ATOM 1746 CA GLY A 231 16.079 -1.119 8.727 1.00 72.49 C ATOM 1747 C GLY A 231 16.493 -2.479 9.277 1.00 88.93 C ATOM 1748 O GLY A 231 16.505 -2.721 10.496 1.00 42.74 O ATOM 1749 H GLY A 231 14.178 -1.506 9.600 1.00 0.00 H TER 1750 GLY A 231 HETATM 1751 O HOH 1 4.905 -29.197 0.477 1.00 44.69 O HETATM 1752 O HOH 2 -0.567 -8.433 -7.309 1.00 29.05 O HETATM 1753 O HOH 3 -2.834 -8.308 -5.256 1.00 29.31 O HETATM 1754 O HOH 4 3.615 -0.151 -10.133 1.00 36.20 O HETATM 1755 O HOH 5 4.555 -4.410 -12.379 1.00 41.44 O HETATM 1756 O HOH 6 -3.054 3.471 -3.105 1.00 29.16 O HETATM 1757 O HOH 7 0.532 -6.836 5.626 1.00 29.17 O HETATM 1758 O HOH 8 -4.808 -11.470 1.298 1.00 33.00 O HETATM 1759 O HOH 9 -9.851 -20.141 3.735 1.00 39.05 O HETATM 1760 O HOH 10 -7.504 -26.467 3.703 1.00 27.50 O HETATM 1761 O HOH 11 -4.894 -29.029 -2.042 1.00 38.50 O HETATM 1762 O HOH 12 -2.737 -25.571 -5.442 1.00 41.54 O HETATM 1763 O HOH 13 -3.108 -2.383 -6.651 1.00 21.79 O HETATM 1764 O HOH 14 -9.753 2.821 -13.995 1.00 15.97 O HETATM 1765 O HOH 15 -15.019 -0.561 -16.949 1.00 47.48 O HETATM 1766 O HOH 16 -13.126 -18.931 -11.676 1.00 33.55 O HETATM 1767 O HOH 17 -11.890 3.387 -4.346 1.00 27.00 O HETATM 1768 O HOH 18 -19.452 -6.941 -2.640 1.00 43.78 O HETATM 1769 O HOH 19 3.316 -25.820 4.978 1.00 27.39 O HETATM 1770 O HOH 20 14.563 -15.574 4.695 1.00 27.59 O HETATM 1771 O HOH 21 9.497 -3.970 5.252 1.00 27.78 O HETATM 1772 C1 NOV A 22 -0.795 -7.043 -12.160 1.00 0.04 C HETATM 1773 O1 NOV A 22 -1.113 -5.657 -12.162 1.00 -0.37 O HETATM 1774 C27 NOV A 22 -0.002 -4.806 -11.901 1.00 0.12 C HETATM 1775 C28 NOV A 22 -0.117 -4.150 -10.522 1.00 0.15 C HETATM 1776 O5 NOV A 22 -0.400 -5.163 -9.524 1.00 -0.26 O HETATM 1777 C12 NOV A 22 -0.876 -4.770 -8.323 1.00 0.32 C HETATM 1778 N1 NOV A 22 -0.677 -5.706 -7.409 1.00 -0.28 N HETATM 1779 H NOV A 22 -0.978 -5.557 -6.467 1.00 0.18 H HETATM 1780 H NOV A 22 -0.226 -6.562 -7.660 1.00 0.18 H HETATM 1781 O4 NOV A 22 -1.409 -3.702 -8.122 1.00 -0.38 O HETATM 1782 C29 NOV A 22 1.133 -3.310 -10.256 1.00 0.14 C HETATM 1783 O6 NOV A 22 2.332 -4.073 -10.266 1.00 -0.38 O HETATM 1784 H NOV A 22 2.286 -4.742 -9.593 1.00 0.21 H HETATM 1785 C30 NOV A 22 1.236 -2.219 -11.316 1.00 0.21 C HETATM 1786 O7 NOV A 22 1.171 -2.718 -12.663 1.00 -0.34 O HETATM 1787 C31 NOV A 22 0.211 -3.734 -13.064 1.00 0.10 C HETATM 1788 C23 NOV A 22 -1.071 -3.037 -13.497 1.00 -0.03 C HETATM 1789 H NOV A 22 -0.845 -2.317 -14.297 1.00 0.03 H HETATM 1790 H NOV A 22 -1.508 -2.506 -12.638 1.00 0.03 H HETATM 1791 H NOV A 22 -1.787 -3.785 -13.868 1.00 0.03 H HETATM 1792 C26 NOV A 22 0.876 -4.396 -14.258 1.00 -0.03 C HETATM 1793 H NOV A 22 1.020 -3.653 -15.056 1.00 0.03 H HETATM 1794 H NOV A 22 0.237 -5.212 -14.628 1.00 0.03 H HETATM 1795 H NOV A 22 1.852 -4.803 -13.955 1.00 0.03 H HETATM 1796 O8 NOV A 22 0.151 -1.358 -11.068 1.00 -0.29 O HETATM 1797 C3 NOV A 22 0.065 -0.149 -11.707 1.00 0.09 C HETATM 1798 C4 NOV A 22 -1.056 0.593 -11.331 1.00 0.02 C HETATM 1799 C2 NOV A 22 -2.009 0.081 -10.277 1.00 -0.04 C HETATM 1800 H NOV A 22 -1.692 -0.921 -9.952 1.00 0.03 H HETATM 1801 H NOV A 22 -3.024 0.026 -10.696 1.00 0.03 H HETATM 1802 H NOV A 22 -2.005 0.765 -9.415 1.00 0.03 H HETATM 1803 C5 NOV A 22 -1.214 1.841 -11.925 1.00 0.13 C HETATM 1804 C9 NOV A 22 -0.280 2.374 -12.825 1.00 0.02 C HETATM 1805 C10 NOV A 22 0.816 1.589 -13.186 1.00 -0.08 C HETATM 1806 C11 NOV A 22 0.991 0.331 -12.640 1.00 -0.05 C HETATM 1807 H NOV A 22 1.839 -0.279 -12.932 1.00 0.04 H HETATM 1808 H NOV A 22 1.537 1.969 -13.901 1.00 0.05 H HETATM 1809 C8 NOV A 22 -0.498 3.730 -13.327 1.00 0.11 C HETATM 1810 C7 NOV A 22 -1.604 4.441 -12.956 1.00 0.17 C HETATM 1811 C6 NOV A 22 -2.633 3.799 -12.001 1.00 0.28 C HETATM 1812 O10 NOV A 22 -2.349 2.533 -11.553 1.00 -0.22 O HETATM 1813 O11 NOV A 22 -3.685 4.235 -11.617 1.00 -0.38 O HETATM 1814 N2 NOV A 22 -2.002 5.715 -13.438 1.00 -0.24 N HETATM 1815 C13 NOV A 22 -3.251 6.052 -13.914 1.00 0.22 C HETATM 1816 O2 NOV A 22 -3.910 6.973 -13.435 1.00 -0.38 O HETATM 1817 C14 NOV A 22 -3.789 5.198 -15.019 1.00 0.04 C HETATM 1818 C15 NOV A 22 -2.934 4.400 -15.777 1.00 -0.05 C HETATM 1819 C16 NOV A 22 -3.422 3.478 -16.703 1.00 -0.00 C HETATM 1820 C17 NOV A 22 -4.810 3.369 -16.861 1.00 0.10 C HETATM 1821 O3 NOV A 22 -5.329 2.370 -17.621 1.00 -0.33 O HETATM 1822 H NOV A 22 -6.277 2.437 -17.626 1.00 0.25 H HETATM 1823 C18 NOV A 22 -5.670 4.206 -16.147 1.00 -0.03 C HETATM 1824 C19 NOV A 22 -5.162 5.109 -15.231 1.00 -0.06 C HETATM 1825 H NOV A 22 -5.836 5.751 -14.675 1.00 0.06 H HETATM 1826 H NOV A 22 -6.740 4.148 -16.311 1.00 0.05 H HETATM 1827 C20 NOV A 22 -2.411 2.658 -17.483 1.00 -0.01 C HETATM 1828 C21 NOV A 22 -2.674 1.191 -17.293 1.00 -0.10 C HETATM 1829 C22 NOV A 22 -1.885 0.282 -16.744 1.00 -0.08 C HETATM 1830 C24 NOV A 22 -0.486 0.553 -16.276 1.00 -0.04 C HETATM 1831 H NOV A 22 -0.053 -0.369 -15.861 1.00 0.04 H HETATM 1832 H NOV A 22 -0.503 1.332 -15.499 1.00 0.04 H HETATM 1833 H NOV A 22 0.125 0.895 -17.125 1.00 0.04 H HETATM 1834 C25 NOV A 22 -2.367 -1.112 -16.490 1.00 -0.04 C HETATM 1835 H NOV A 22 -3.396 -1.218 -16.864 1.00 0.04 H HETATM 1836 H NOV A 22 -2.347 -1.316 -15.409 1.00 0.04 H HETATM 1837 H NOV A 22 -1.712 -1.827 -17.010 1.00 0.04 H HETATM 1838 H NOV A 22 -3.636 0.830 -17.653 1.00 0.03 H HETATM 1839 H NOV A 22 -1.398 2.895 -17.125 1.00 0.05 H HETATM 1840 H NOV A 22 -2.490 2.906 -18.552 1.00 0.05 H HETATM 1841 H NOV A 22 -1.863 4.498 -15.644 1.00 0.06 H HETATM 1842 H NOV A 22 -1.310 6.437 -13.432 1.00 0.22 H HETATM 1843 O9 NOV A 22 0.428 4.212 -14.179 1.00 -0.35 O HETATM 1844 H NOV A 22 1.111 3.563 -14.303 1.00 0.24 H HETATM 1845 H NOV A 22 2.185 -1.677 -11.191 1.00 0.10 H HETATM 1846 H NOV A 22 1.029 -2.842 -9.266 1.00 0.07 H HETATM 1847 H NOV A 22 -0.975 -3.461 -10.537 1.00 0.07 H HETATM 1848 H NOV A 22 0.896 -5.441 -11.882 1.00 0.07 H HETATM 1849 H NOV A 22 -1.703 -7.628 -12.368 1.00 0.05 H HETATM 1850 H NOV A 22 -0.395 -7.326 -11.175 1.00 0.05 H HETATM 1851 H NOV A 22 -0.041 -7.247 -12.935 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 704 705 708 709 710 CONECT 708 704 CONECT 709 704 CONECT 710 704 CONECT 1772 1773 1849 1850 1851 CONECT 1773 1772 1774 CONECT 1774 1773 1775 1787 1848 CONECT 1775 1774 1776 1782 1847 CONECT 1776 1775 1777 CONECT 1777 1776 1778 1781 CONECT 1778 1777 1779 1780 CONECT 1779 1778 CONECT 1780 1778 CONECT 1781 1777 CONECT 1782 1775 1783 1785 1846 CONECT 1783 1782 1784 CONECT 1784 1783 CONECT 1785 1782 1786 1796 1845 CONECT 1786 1785 1787 CONECT 1787 1774 1786 1788 1792 CONECT 1788 1787 1789 1790 1791 CONECT 1789 1788 CONECT 1790 1788 CONECT 1791 1788 CONECT 1792 1787 1793 1794 1795 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1792 CONECT 1796 1785 1797 CONECT 1797 1796 1798 1806 CONECT 1798 1797 1799 1803 CONECT 1799 1798 1800 1801 1802 CONECT 1800 1799 CONECT 1801 1799 CONECT 1802 1799 CONECT 1803 1798 1804 1812 CONECT 1804 1803 1805 1809 CONECT 1805 1804 1806 1808 CONECT 1806 1797 1805 1807 CONECT 1807 1806 CONECT 1808 1805 CONECT 1809 1804 1810 1843 CONECT 1810 1809 1811 1814 CONECT 1811 1810 1812 1813 CONECT 1812 1803 1811 CONECT 1813 1811 CONECT 1814 1810 1815 1842 CONECT 1815 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 1818 1824 CONECT 1818 1817 1819 1841 CONECT 1819 1818 1820 1827 CONECT 1820 1819 1821 1823 CONECT 1821 1820 1822 CONECT 1822 1821 CONECT 1823 1820 1824 1826 CONECT 1824 1817 1823 1825 CONECT 1825 1824 CONECT 1826 1823 CONECT 1827 1819 1828 1839 1840 CONECT 1828 1827 1829 1838 CONECT 1829 1828 1830 1834 CONECT 1830 1829 1831 1832 1833 CONECT 1831 1830 CONECT 1832 1830 CONECT 1833 1830 CONECT 1834 1829 1835 1836 1837 CONECT 1835 1834 CONECT 1836 1834 CONECT 1837 1834 CONECT 1838 1828 CONECT 1839 1827 CONECT 1840 1827 CONECT 1841 1818 CONECT 1842 1814 CONECT 1843 1809 1844 CONECT 1844 1843 CONECT 1845 1785 CONECT 1846 1782 CONECT 1847 1775 CONECT 1848 1774 CONECT 1849 1772 CONECT 1850 1772 CONECT 1851 1772 MASTER 0 0 0 0 0 0 0 0 1849 2 88 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4uro
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4urm
RCSB PDB
PDBbind
231aa, >4URM_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aj6
RCSB PDB
PDBbind
NOV
4urn
RCSB PDB
PDBbind
NOV
Entry Information
PDB ID
4uro
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DNA GYRASE SUBUNIT B GyrB24
Ligand Name
NOV
EC.Number
E.C.5.99.1.3
Resolution
2.59(Å)
Affinity (Kd/Ki/IC50)
IC50<4nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 2023-2031
Ligand Properties
Formula
C
3
1
H
3
6
N
2
O
1
1
Molecular Weight
612.624
Exact Mass
612.232
No. of atoms
80
No. of bonds
83
Polar Surface Area
200.01
LOGP Value
3.32 (
Computed with XLOGP3
)
4.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O
InChI String
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0A0K8
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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