Browse entries in the PDBbind-CN Database
HEADER 5VRL_COMPLEX COMPND 5VRL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 THR GLY LEU LEU ASP GLY LYS ARG ILE LEU VAL SER GLY SEQRES 2 A 204 ILE ILE THR ASP SER SER ILE ALA PHE HIS ILE ALA ARG SEQRES 3 A 204 VAL ALA GLN GLU GLN GLY ALA GLN LEU VAL LEU THR GLY SEQRES 4 A 204 PHE ASP ARG LEU ARG LEU ILE GLN ARG ILE THR ASP ARG SEQRES 5 A 204 LEU PRO ALA LYS ALA PRO LEU LEU GLU LEU ASP VAL GLN SEQRES 6 A 204 ASN GLU GLU HIS LEU ALA SER LEU ALA GLY ARG VAL THR SEQRES 7 A 204 GLU ALA ILE GLY ALA GLY ASN LYS LEU ASP GLY VAL VAL SEQRES 8 A 204 HIS SER ILE GLY PHE MET PRO GLN THR GLY MET GLY ILE SEQRES 9 A 204 ASN PRO PHE PHE ASP ALA PRO TYR ALA ASP VAL SER LYS SEQRES 10 A 204 GLY ILE HIS ILE SER ALA TYR SER TYR ALA SER MET ALA SEQRES 11 A 204 LYS ALA LEU LEU PRO ILE MET ASN PRO GLY GLY SER ILE SEQRES 12 A 204 VAL GLY MET ASP PHE ASP PRO SER ARG ALA MET PRO ALA SEQRES 13 A 204 TYR ASN TRP MET THR VAL ALA LYS SER ALA LEU GLU SER SEQRES 14 A 204 VAL ASN ARG PHE VAL ALA ARG GLU ALA GLY LYS TYR GLY SEQRES 15 A 204 VAL ARG SER ASN LEU VAL ALA ALA GLY PRO ILE ARG THR SEQRES 16 A 204 LEU ALA MET SER ALA ILE VAL GLY GLY SEQRES 1 A 60 GLU ALA GLY ALA GLN ILE GLN LEU LEU GLU GLU GLY TRP SEQRES 2 A 60 ASP GLN ARG ALA PRO ILE GLY TRP ASN MET LYS ASP ALA SEQRES 3 A 60 THR PRO VAL ALA LYS THR VAL CYS ALA LEU LEU SER ASP SEQRES 4 A 60 TRP LEU PRO ALA THR THR GLY ASP ILE ILE TYR ALA ASP SEQRES 5 A 60 GLY GLY ALA HIS THR GLN LEU LEU HET UNN A 295 50 ATOM 1 N THR A 5 26.082 29.076 1.064 1.00115.67 N ATOM 2 CA THR A 5 25.114 28.677 0.048 1.00111.57 C ATOM 3 C THR A 5 24.001 27.818 0.648 1.00106.18 C ATOM 4 O THR A 5 24.263 26.778 1.252 1.00107.98 O ATOM 5 CB THR A 5 25.791 27.904 -1.100 1.00112.07 C ATOM 6 HN3 THR A 5 26.510 28.227 1.486 1.00 0.00 H ATOM 7 HN2 THR A 5 25.600 29.627 1.803 1.00 0.00 H ATOM 8 HN1 THR A 5 26.824 29.658 0.625 1.00 0.00 H ATOM 9 N GLY A 6 22.758 28.260 0.473 1.00 94.48 N ATOM 10 CA GLY A 6 21.611 27.577 1.046 1.00 85.51 C ATOM 11 C GLY A 6 20.870 26.677 0.072 1.00 79.79 C ATOM 12 O GLY A 6 21.023 26.797 -1.145 1.00 81.89 O ATOM 13 H GLY A 6 22.603 29.120 -0.091 1.00 0.00 H ATOM 14 N LEU A 7 20.052 25.781 0.619 1.00 72.89 N ATOM 15 CA LEU A 7 19.333 24.779 -0.165 1.00 65.45 C ATOM 16 C LEU A 7 18.378 25.398 -1.182 1.00 65.15 C ATOM 17 O LEU A 7 18.169 24.850 -2.264 1.00 63.09 O ATOM 18 CB LEU A 7 18.556 23.846 0.768 1.00 61.01 C ATOM 19 CG LEU A 7 17.894 22.609 0.159 1.00 59.92 C ATOM 20 CD1 LEU A 7 18.944 21.628 -0.332 1.00 61.58 C ATOM 21 CD2 LEU A 7 16.971 21.945 1.168 1.00 61.42 C ATOM 22 H LEU A 7 19.919 25.794 1.650 1.00 0.00 H ATOM 23 N LEU A 8 17.801 26.542 -0.830 1.00 66.64 N ATOM 24 CA LEU A 8 16.818 27.192 -1.687 1.00 66.00 C ATOM 25 C LEU A 8 17.295 28.570 -2.135 1.00 74.46 C ATOM 26 O LEU A 8 16.503 29.509 -2.219 1.00 77.20 O ATOM 27 CB LEU A 8 15.479 27.313 -0.958 1.00 61.91 C ATOM 28 CG LEU A 8 14.898 26.011 -0.403 1.00 60.94 C ATOM 29 CD1 LEU A 8 13.706 26.290 0.498 1.00 53.73 C ATOM 30 CD2 LEU A 8 14.511 25.076 -1.540 1.00 61.87 C ATOM 31 H LEU A 8 18.056 26.983 0.077 1.00 0.00 H ATOM 32 N ASP A 9 18.590 28.679 -2.422 1.00 80.15 N ATOM 33 CA ASP A 9 19.200 29.949 -2.806 1.00 86.97 C ATOM 34 C ASP A 9 18.536 30.573 -4.031 1.00 81.08 C ATOM 35 O ASP A 9 18.513 29.979 -5.108 1.00 78.96 O ATOM 36 CB ASP A 9 20.695 29.759 -3.074 1.00100.36 C ATOM 37 CG ASP A 9 21.565 30.578 -2.140 1.00110.63 C ATOM 38 OD1 ASP A 9 21.026 31.472 -1.454 1.00113.07 O ATOM 39 OD2 ASP A 9 22.790 30.332 -2.097 1.00115.84 O ATOM 40 H ASP A 9 19.188 27.830 -2.371 1.00 0.00 H ATOM 41 N GLY A 10 17.995 31.774 -3.852 1.00 78.84 N ATOM 42 CA GLY A 10 17.397 32.517 -4.945 1.00 81.07 C ATOM 43 C GLY A 10 16.149 31.874 -5.516 1.00 80.66 C ATOM 44 O GLY A 10 15.937 31.886 -6.728 1.00 87.46 O ATOM 45 H GLY A 10 18.001 32.193 -2.900 1.00 0.00 H ATOM 46 N LYS A 11 15.323 31.307 -4.645 1.00 75.81 N ATOM 47 CA LYS A 11 14.063 30.712 -5.073 1.00 71.75 C ATOM 48 C LYS A 11 12.877 31.495 -4.523 1.00 73.53 C ATOM 49 O LYS A 11 12.873 31.905 -3.362 1.00 76.29 O ATOM 50 CB LYS A 11 13.976 29.248 -4.639 1.00 66.39 C ATOM 51 CG LYS A 11 14.986 28.344 -5.321 1.00 69.70 C ATOM 52 CD LYS A 11 14.422 26.948 -5.540 1.00 67.34 C ATOM 53 CE LYS A 11 15.348 26.115 -6.417 1.00 69.05 C ATOM 54 NZ LYS A 11 14.666 24.906 -6.960 1.00 68.96 N ATOM 55 HZ1 LYS A 11 14.341 24.310 -6.172 1.00 0.00 H ATOM 56 HZ2 LYS A 11 13.850 25.198 -7.535 1.00 0.00 H ATOM 57 HZ3 LYS A 11 15.333 24.369 -7.550 1.00 0.00 H ATOM 58 H LYS A 11 15.580 31.287 -3.637 1.00 0.00 H ATOM 59 N ARG A 12 11.872 31.704 -5.366 1.00 71.36 N ATOM 60 CA ARG A 12 10.671 32.418 -4.954 1.00 69.98 C ATOM 61 C ARG A 12 9.561 31.428 -4.615 1.00 66.33 C ATOM 62 O ARG A 12 9.077 30.695 -5.479 1.00 66.08 O ATOM 63 CB ARG A 12 10.228 33.390 -6.049 1.00 69.52 C ATOM 64 CG ARG A 12 11.224 34.516 -6.294 1.00 71.22 C ATOM 65 CD ARG A 12 10.803 35.412 -7.447 1.00 75.43 C ATOM 66 NE ARG A 12 11.654 36.595 -7.553 1.00 81.12 N ATOM 67 CZ ARG A 12 12.816 36.627 -8.198 1.00 85.70 C ATOM 68 NH1 ARG A 12 13.273 35.536 -8.798 1.00 80.51 N ATOM 69 NH2 ARG A 12 13.523 37.750 -8.242 1.00 93.81 N ATOM 70 HE ARG A 12 11.329 37.470 -7.094 1.00 0.00 H ATOM 71 HH12 ARG A 12 14.182 35.562 -9.302 1.00 0.00 H ATOM 72 HH11 ARG A 12 12.722 34.654 -8.764 1.00 0.00 H ATOM 73 HH22 ARG A 12 14.432 37.773 -8.747 1.00 0.00 H ATOM 74 HH21 ARG A 12 13.168 38.607 -7.771 1.00 0.00 H ATOM 75 H ARG A 12 11.944 31.350 -6.341 1.00 0.00 H ATOM 76 N ILE A 13 9.169 31.408 -3.344 1.00 63.79 N ATOM 77 CA ILE A 13 8.241 30.402 -2.839 1.00 64.01 C ATOM 78 C ILE A 13 7.064 31.021 -2.087 1.00 66.57 C ATOM 79 O ILE A 13 7.251 31.882 -1.225 1.00 69.47 O ATOM 80 CB ILE A 13 8.964 29.405 -1.905 1.00 61.76 C ATOM 81 CG1 ILE A 13 10.148 28.758 -2.630 1.00 58.48 C ATOM 82 CG2 ILE A 13 7.995 28.350 -1.383 1.00 48.95 C ATOM 83 CD1 ILE A 13 11.026 27.916 -1.741 1.00 59.36 C ATOM 84 H ILE A 13 9.535 32.130 -2.691 1.00 0.00 H ATOM 85 N LEU A 14 5.852 30.581 -2.419 1.00 65.62 N ATOM 86 CA LEU A 14 4.659 31.026 -1.708 1.00 63.45 C ATOM 87 C LEU A 14 4.327 30.068 -0.567 1.00 57.99 C ATOM 88 O LEU A 14 4.172 28.865 -0.778 1.00 56.21 O ATOM 89 CB LEU A 14 3.468 31.148 -2.666 1.00 62.93 C ATOM 90 CG LEU A 14 2.187 31.793 -2.121 1.00 63.38 C ATOM 91 CD1 LEU A 14 1.510 32.616 -3.202 1.00 66.61 C ATOM 92 CD2 LEU A 14 1.219 30.748 -1.576 1.00 57.02 C ATOM 93 H LEU A 14 5.754 29.905 -3.203 1.00 0.00 H ATOM 94 N VAL A 15 4.220 30.609 0.642 1.00 55.43 N ATOM 95 CA VAL A 15 3.865 29.813 1.808 1.00 54.12 C ATOM 96 C VAL A 15 2.525 30.252 2.373 1.00 55.92 C ATOM 97 O VAL A 15 2.345 31.414 2.737 1.00 61.76 O ATOM 98 CB VAL A 15 4.928 29.918 2.913 1.00 55.60 C ATOM 99 CG1 VAL A 15 4.503 29.118 4.137 1.00 53.44 C ATOM 100 CG2 VAL A 15 6.271 29.438 2.399 1.00 59.18 C ATOM 101 H VAL A 15 4.394 31.628 0.758 1.00 0.00 H ATOM 102 N SER A 16 1.584 29.320 2.444 1.00 53.93 N ATOM 103 CA SER A 16 0.281 29.608 3.027 1.00 58.64 C ATOM 104 C SER A 16 0.087 28.827 4.320 1.00 59.07 C ATOM 105 O SER A 16 0.841 27.899 4.610 1.00 60.04 O ATOM 106 CB SER A 16 -0.834 29.273 2.036 1.00 59.76 C ATOM 107 OG SER A 16 -0.871 27.882 1.775 1.00 59.52 O ATOM 108 HG SER A 16 -0.004 27.596 1.391 1.00 0.00 H ATOM 109 H SER A 16 1.780 28.367 2.077 1.00 0.00 H ATOM 110 N GLY A 17 -0.916 29.213 5.100 1.00 55.84 N ATOM 111 CA GLY A 17 -1.303 28.441 6.266 1.00 54.65 C ATOM 112 C GLY A 17 -0.698 28.888 7.584 1.00 59.77 C ATOM 113 O GLY A 17 -0.852 28.212 8.604 1.00 61.98 O ATOM 114 H GLY A 17 -1.434 30.085 4.871 1.00 0.00 H ATOM 115 N ILE A 18 -0.011 30.024 7.572 1.00 62.78 N ATOM 116 CA ILE A 18 0.557 30.570 8.798 1.00 64.47 C ATOM 117 C ILE A 18 -0.523 31.248 9.633 1.00 67.32 C ATOM 118 O ILE A 18 -0.986 32.338 9.296 1.00 70.99 O ATOM 119 CB ILE A 18 1.678 31.582 8.509 1.00 63.88 C ATOM 120 CG1 ILE A 18 2.766 30.947 7.640 1.00 63.03 C ATOM 121 CG2 ILE A 18 2.266 32.102 9.810 1.00 56.73 C ATOM 122 CD1 ILE A 18 3.935 31.868 7.348 1.00 66.44 C ATOM 123 H ILE A 18 0.124 30.532 6.674 1.00 0.00 H ATOM 124 N ILE A 19 -0.927 30.596 10.718 1.00 68.06 N ATOM 125 CA ILE A 19 -1.952 31.142 11.602 1.00 69.78 C ATOM 126 C ILE A 19 -1.329 31.700 12.882 1.00 72.58 C ATOM 127 O ILE A 19 -1.621 32.826 13.285 1.00 80.74 O ATOM 128 CB ILE A 19 -3.009 30.079 11.971 1.00 67.06 C ATOM 129 CG1 ILE A 19 -3.482 29.328 10.723 1.00 62.92 C ATOM 130 CG2 ILE A 19 -4.188 30.722 12.691 1.00 68.01 C ATOM 131 CD1 ILE A 19 -4.230 30.191 9.727 1.00 61.40 C ATOM 132 H ILE A 19 -0.502 29.674 10.943 1.00 0.00 H ATOM 133 N THR A 20 -0.482 30.896 13.521 1.00 70.87 N ATOM 134 CA THR A 20 0.265 31.321 14.704 1.00 77.47 C ATOM 135 C THR A 20 1.756 31.054 14.506 1.00 75.90 C ATOM 136 O THR A 20 2.178 30.661 13.421 1.00 69.88 O ATOM 137 CB THR A 20 -0.215 30.594 15.973 1.00 79.10 C ATOM 138 OG1 THR A 20 0.209 29.227 15.928 1.00 82.89 O ATOM 139 CG2 THR A 20 -1.729 30.642 16.079 1.00 75.28 C ATOM 140 HG1 THR A 20 -0.100 28.760 16.744 1.00 0.00 H ATOM 141 H THR A 20 -0.346 29.928 13.165 1.00 0.00 H ATOM 142 N ASP A 21 2.552 31.258 15.554 1.00 85.15 N ATOM 143 CA ASP A 21 3.979 30.953 15.485 1.00 89.21 C ATOM 144 C ASP A 21 4.235 29.473 15.777 1.00 87.91 C ATOM 145 O ASP A 21 5.380 29.015 15.768 1.00 87.33 O ATOM 146 CB ASP A 21 4.774 31.828 16.458 1.00 96.83 C ATOM 147 CG ASP A 21 4.467 31.516 17.907 1.00106.07 C ATOM 148 OD1 ASP A 21 5.423 31.365 18.696 1.00113.87 O ATOM 149 OD2 ASP A 21 3.272 31.423 18.258 1.00109.32 O ATOM 150 H ASP A 21 2.152 31.640 16.435 1.00 0.00 H ATOM 151 N SER A 22 3.161 28.732 16.037 1.00 87.01 N ATOM 152 CA SER A 22 3.247 27.293 16.264 1.00 80.52 C ATOM 153 C SER A 22 2.738 26.520 15.051 1.00 73.21 C ATOM 154 O SER A 22 2.803 25.291 15.016 1.00 70.54 O ATOM 155 CB SER A 22 2.459 26.892 17.513 1.00 82.88 C ATOM 156 OG SER A 22 3.041 27.442 18.682 1.00 90.60 O ATOM 157 HG SER A 22 2.513 27.167 19.473 1.00 0.00 H ATOM 158 H SER A 22 2.230 29.193 16.080 1.00 0.00 H ATOM 159 N SER A 23 2.226 27.248 14.062 1.00 68.11 N ATOM 160 CA SER A 23 1.795 26.635 12.813 1.00 62.34 C ATOM 161 C SER A 23 2.977 25.991 12.107 1.00 62.21 C ATOM 162 O SER A 23 4.090 26.517 12.136 1.00 65.94 O ATOM 163 CB SER A 23 1.130 27.664 11.896 1.00 61.28 C ATOM 164 OG SER A 23 -0.247 27.810 12.202 1.00 67.12 O ATOM 165 HG SER A 23 -0.650 28.480 11.595 1.00 0.00 H ATOM 166 H SER A 23 2.132 28.277 14.183 1.00 0.00 H ATOM 167 N ILE A 24 2.730 24.844 11.485 1.00 54.63 N ATOM 168 CA ILE A 24 3.758 24.132 10.740 1.00 55.83 C ATOM 169 C ILE A 24 4.322 25.011 9.627 1.00 58.03 C ATOM 170 O ILE A 24 5.520 24.985 9.343 1.00 61.00 O ATOM 171 CB ILE A 24 3.202 22.827 10.142 1.00 59.08 C ATOM 172 CG1 ILE A 24 2.755 21.884 11.261 1.00 66.62 C ATOM 173 CG2 ILE A 24 4.236 22.148 9.263 1.00 54.23 C ATOM 174 CD1 ILE A 24 2.200 20.565 10.763 1.00 74.61 C ATOM 175 H ILE A 24 1.772 24.442 11.532 1.00 0.00 H ATOM 176 N ALA A 25 3.447 25.804 9.017 1.00 54.68 N ATOM 177 CA ALA A 25 3.832 26.683 7.922 1.00 53.01 C ATOM 178 C ALA A 25 4.859 27.729 8.356 1.00 55.82 C ATOM 179 O ALA A 25 5.720 28.122 7.571 1.00 54.45 O ATOM 180 CB ALA A 25 2.603 27.361 7.342 1.00 55.14 C ATOM 181 H ALA A 25 2.456 25.796 9.332 1.00 0.00 H ATOM 182 N PHE A 26 4.768 28.178 9.604 1.00 58.39 N ATOM 183 CA PHE A 26 5.712 29.162 10.126 1.00 59.68 C ATOM 184 C PHE A 26 7.129 28.601 10.155 1.00 61.69 C ATOM 185 O PHE A 26 8.085 29.286 9.796 1.00 65.80 O ATOM 186 CB PHE A 26 5.299 29.616 11.527 1.00 62.58 C ATOM 187 CG PHE A 26 6.200 30.668 12.117 1.00 66.36 C ATOM 188 CD1 PHE A 26 7.296 30.313 12.891 1.00 64.75 C ATOM 189 CD2 PHE A 26 5.945 32.014 11.906 1.00 66.21 C ATOM 190 CE1 PHE A 26 8.123 31.282 13.432 1.00 64.75 C ATOM 191 CE2 PHE A 26 6.766 32.985 12.450 1.00 67.09 C ATOM 192 CZ PHE A 26 7.855 32.619 13.212 1.00 64.97 C ATOM 193 H PHE A 26 4.010 27.822 10.220 1.00 0.00 H ATOM 194 N HIS A 27 7.257 27.353 10.591 1.00 62.35 N ATOM 195 CA HIS A 27 8.558 26.701 10.667 1.00 61.13 C ATOM 196 C HIS A 27 9.083 26.356 9.276 1.00 58.15 C ATOM 197 O HIS A 27 10.288 26.403 9.031 1.00 51.90 O ATOM 198 CB HIS A 27 8.474 25.447 11.537 1.00 59.88 C ATOM 199 CG HIS A 27 8.336 25.739 13.000 1.00 69.86 C ATOM 200 ND1 HIS A 27 9.394 25.657 13.875 1.00 76.21 N ATOM 201 CD2 HIS A 27 7.264 26.124 13.733 1.00 71.24 C ATOM 202 CE1 HIS A 27 8.981 25.971 15.092 1.00 74.30 C ATOM 203 NE2 HIS A 27 7.695 26.258 15.032 1.00 72.42 N ATOM 204 H HIS A 27 6.408 26.829 10.885 1.00 0.00 H ATOM 205 N ILE A 28 8.176 26.004 8.369 1.00 47.84 N ATOM 206 CA ILE A 28 8.536 25.813 6.969 1.00 46.81 C ATOM 207 C ILE A 28 9.075 27.118 6.402 1.00 57.97 C ATOM 208 O ILE A 28 10.112 27.140 5.745 1.00 59.54 O ATOM 209 CB ILE A 28 7.336 25.350 6.121 1.00 48.90 C ATOM 210 CG1 ILE A 28 6.880 23.957 6.548 1.00 47.17 C ATOM 211 CG2 ILE A 28 7.689 25.354 4.642 1.00 44.39 C ATOM 212 CD1 ILE A 28 5.655 23.477 5.804 1.00 50.45 C ATOM 213 H ILE A 28 7.189 25.862 8.665 1.00 0.00 H ATOM 214 N ALA A 29 8.360 28.205 6.673 1.00 55.99 N ATOM 215 CA ALA A 29 8.765 29.531 6.233 1.00 55.38 C ATOM 216 C ALA A 29 10.099 29.934 6.852 1.00 58.31 C ATOM 217 O ALA A 29 10.960 30.499 6.177 1.00 63.42 O ATOM 218 CB ALA A 29 7.691 30.551 6.581 1.00 55.42 C ATOM 219 H ALA A 29 7.480 28.104 7.219 1.00 0.00 H ATOM 220 N ARG A 30 10.263 29.637 8.138 1.00 57.64 N ATOM 221 CA ARG A 30 11.483 29.983 8.860 1.00 61.11 C ATOM 222 C ARG A 30 12.695 29.292 8.249 1.00 59.49 C ATOM 223 O ARG A 30 13.688 29.937 7.920 1.00 61.25 O ATOM 224 CB ARG A 30 11.363 29.605 10.339 1.00 62.27 C ATOM 225 CG ARG A 30 12.415 30.256 11.221 1.00 63.45 C ATOM 226 CD ARG A 30 12.576 29.534 12.550 1.00 62.29 C ATOM 227 NE ARG A 30 13.501 28.408 12.449 1.00 62.91 N ATOM 228 CZ ARG A 30 13.142 27.133 12.537 1.00 61.78 C ATOM 229 NH1 ARG A 30 14.055 26.175 12.431 1.00 66.35 N ATOM 230 NH2 ARG A 30 11.871 26.817 12.739 1.00 58.15 N ATOM 231 HE ARG A 30 14.508 28.619 12.298 1.00 0.00 H ATOM 232 HH12 ARG A 30 13.772 25.177 12.500 1.00 0.00 H ATOM 233 HH11 ARG A 30 15.054 26.423 12.279 1.00 0.00 H ATOM 234 HH22 ARG A 30 11.588 25.819 12.808 1.00 0.00 H ATOM 235 HH21 ARG A 30 11.156 27.567 12.828 1.00 0.00 H ATOM 236 H ARG A 30 9.500 29.144 8.644 1.00 0.00 H ATOM 237 N VAL A 31 12.599 27.976 8.096 1.00 57.40 N ATOM 238 CA VAL A 31 13.685 27.179 7.539 1.00 60.80 C ATOM 239 C VAL A 31 13.954 27.556 6.083 1.00 64.55 C ATOM 240 O VAL A 31 15.104 27.598 5.645 1.00 68.29 O ATOM 241 CB VAL A 31 13.372 25.672 7.643 1.00 57.39 C ATOM 242 CG1 VAL A 31 14.411 24.844 6.899 1.00 56.82 C ATOM 243 CG2 VAL A 31 13.298 25.252 9.100 1.00 52.99 C ATOM 244 H VAL A 31 11.721 27.499 8.383 1.00 0.00 H ATOM 245 N ALA A 32 12.889 27.847 5.342 1.00 62.99 N ATOM 246 CA ALA A 32 13.016 28.243 3.942 1.00 60.95 C ATOM 247 C ALA A 32 13.830 29.526 3.802 1.00 65.77 C ATOM 248 O ALA A 32 14.719 29.618 2.955 1.00 67.83 O ATOM 249 CB ALA A 32 11.643 28.417 3.309 1.00 52.13 C ATOM 250 H ALA A 32 11.943 27.791 5.770 1.00 0.00 H ATOM 251 N GLN A 33 13.519 30.514 4.635 1.00 65.89 N ATOM 252 CA GLN A 33 14.232 31.786 4.613 1.00 70.69 C ATOM 253 C GLN A 33 15.676 31.615 5.069 1.00 70.88 C ATOM 254 O GLN A 33 16.576 32.291 4.572 1.00 71.19 O ATOM 255 CB GLN A 33 13.521 32.817 5.491 1.00 71.26 C ATOM 256 CG GLN A 33 12.217 33.322 4.909 1.00 69.03 C ATOM 257 CD GLN A 33 11.646 34.483 5.691 1.00 71.47 C ATOM 258 OE1 GLN A 33 12.065 34.758 6.815 1.00 77.52 O ATOM 259 NE2 GLN A 33 10.685 35.177 5.096 1.00 70.77 N ATOM 260 HE22 GLN A 33 10.362 34.908 4.145 1.00 0.00 H ATOM 261 HE21 GLN A 33 10.254 35.990 5.581 1.00 0.00 H ATOM 262 H GLN A 33 12.748 30.377 5.319 1.00 0.00 H ATOM 263 N GLU A 34 15.891 30.707 6.017 1.00 71.52 N ATOM 264 CA GLU A 34 17.238 30.389 6.476 1.00 73.57 C ATOM 265 C GLU A 34 18.072 29.810 5.338 1.00 75.16 C ATOM 266 O GLU A 34 19.298 29.930 5.332 1.00 76.32 O ATOM 267 CB GLU A 34 17.193 29.404 7.647 1.00 70.06 C ATOM 268 CG GLU A 34 16.667 29.994 8.945 1.00 69.57 C ATOM 269 CD GLU A 34 16.410 28.938 10.004 1.00 70.02 C ATOM 270 OE1 GLU A 34 16.365 27.739 9.656 1.00 66.28 O ATOM 271 OE2 GLU A 34 16.253 29.309 11.186 1.00 74.46 O ATOM 272 H GLU A 34 15.080 30.213 6.440 1.00 0.00 H ATOM 273 N GLN A 35 17.400 29.188 4.374 1.00 73.70 N ATOM 274 CA GLN A 35 18.081 28.543 3.259 1.00 71.47 C ATOM 275 C GLN A 35 18.061 29.391 1.988 1.00 74.91 C ATOM 276 O GLN A 35 18.362 28.898 0.901 1.00 74.64 O ATOM 277 CB GLN A 35 17.463 27.172 2.983 1.00 62.29 C ATOM 278 CG GLN A 35 17.659 26.182 4.112 1.00 61.82 C ATOM 279 CD GLN A 35 19.119 26.003 4.482 1.00 68.83 C ATOM 280 OE1 GLN A 35 19.986 25.918 3.612 1.00 69.28 O ATOM 281 NE2 GLN A 35 19.398 25.950 5.779 1.00 72.14 N ATOM 282 HE22 GLN A 35 18.633 26.026 6.479 1.00 0.00 H ATOM 283 HE21 GLN A 35 20.382 25.832 6.095 1.00 0.00 H ATOM 284 H GLN A 35 16.361 29.161 4.417 1.00 0.00 H ATOM 285 N GLY A 36 17.700 30.663 2.128 1.00 75.24 N ATOM 286 CA GLY A 36 17.858 31.620 1.047 1.00 74.21 C ATOM 287 C GLY A 36 16.658 31.857 0.148 1.00 75.23 C ATOM 288 O GLY A 36 16.781 32.510 -0.887 1.00 79.34 O ATOM 289 H GLY A 36 17.295 30.980 3.032 1.00 0.00 H ATOM 290 N ALA A 37 15.498 31.341 0.535 1.00 68.59 N ATOM 291 CA ALA A 37 14.292 31.521 -0.267 1.00 67.36 C ATOM 292 C ALA A 37 13.649 32.892 -0.042 1.00 68.85 C ATOM 293 O ALA A 37 13.606 33.391 1.082 1.00 73.86 O ATOM 294 CB ALA A 37 13.293 30.416 0.035 1.00 66.62 C ATOM 295 H ALA A 37 15.448 30.801 1.422 1.00 0.00 H ATOM 296 N GLN A 38 13.162 33.499 -1.121 1.00 68.62 N ATOM 297 CA GLN A 38 12.384 34.731 -1.026 1.00 68.53 C ATOM 298 C GLN A 38 10.903 34.374 -0.980 1.00 69.21 C ATOM 299 O GLN A 38 10.384 33.738 -1.896 1.00 72.15 O ATOM 300 CB GLN A 38 12.682 35.663 -2.202 1.00 71.35 C ATOM 301 H GLN A 38 13.340 33.085 -2.058 1.00 0.00 H ATOM 302 N LEU A 39 10.223 34.786 0.085 1.00 68.08 N ATOM 303 CA LEU A 39 8.889 34.268 0.378 1.00 63.30 C ATOM 304 C LEU A 39 7.733 35.198 0.032 1.00 61.69 C ATOM 305 O LEU A 39 7.874 36.421 0.021 1.00 64.55 O ATOM 306 CB LEU A 39 8.791 33.906 1.860 1.00 62.73 C ATOM 307 CG LEU A 39 8.998 32.438 2.218 1.00 65.60 C ATOM 308 CD1 LEU A 39 10.336 31.940 1.702 1.00 66.57 C ATOM 309 CD2 LEU A 39 8.904 32.266 3.716 1.00 69.56 C ATOM 310 H LEU A 39 10.648 35.490 0.721 1.00 0.00 H ATOM 311 N VAL A 40 6.587 34.585 -0.248 1.00 63.78 N ATOM 312 CA VAL A 40 5.313 35.284 -0.330 1.00 63.18 C ATOM 313 C VAL A 40 4.340 34.570 0.598 1.00 57.62 C ATOM 314 O VAL A 40 4.097 33.375 0.443 1.00 54.23 O ATOM 315 CB VAL A 40 4.748 35.313 -1.762 1.00 65.38 C ATOM 316 CG1 VAL A 40 3.354 35.929 -1.766 1.00 69.50 C ATOM 317 CG2 VAL A 40 5.676 36.084 -2.684 1.00 63.75 C ATOM 318 H VAL A 40 6.602 33.559 -0.416 1.00 0.00 H ATOM 319 N LEU A 41 3.794 35.298 1.566 1.00 57.23 N ATOM 320 CA LEU A 41 2.939 34.696 2.583 1.00 59.02 C ATOM 321 C LEU A 41 1.476 35.097 2.415 1.00 64.50 C ATOM 322 O LEU A 41 1.175 36.233 2.054 1.00 73.03 O ATOM 323 CB LEU A 41 3.430 35.091 3.975 1.00 62.40 C ATOM 324 CG LEU A 41 4.929 34.905 4.211 1.00 60.44 C ATOM 325 CD1 LEU A 41 5.337 35.519 5.538 1.00 56.95 C ATOM 326 CD2 LEU A 41 5.318 33.430 4.150 1.00 55.65 C ATOM 327 H LEU A 41 3.980 36.321 1.599 1.00 0.00 H ATOM 328 N THR A 42 0.570 34.159 2.680 1.00 59.95 N ATOM 329 CA THR A 42 -0.859 34.443 2.602 1.00 62.83 C ATOM 330 C THR A 42 -1.558 34.190 3.935 1.00 68.24 C ATOM 331 O THR A 42 -1.070 33.427 4.769 1.00 68.75 O ATOM 332 CB THR A 42 -1.553 33.598 1.515 1.00 58.85 C ATOM 333 OG1 THR A 42 -1.772 32.270 2.003 1.00 58.60 O ATOM 334 CG2 THR A 42 -0.712 33.549 0.247 1.00 55.22 C ATOM 335 HG1 THR A 42 -2.347 32.306 2.808 1.00 0.00 H ATOM 336 H THR A 42 0.887 33.205 2.948 1.00 0.00 H ATOM 337 N GLY A 43 -2.706 34.834 4.123 1.00 68.92 N ATOM 338 CA GLY A 43 -3.491 34.671 5.332 1.00 76.66 C ATOM 339 C GLY A 43 -4.919 35.137 5.130 1.00 79.36 C ATOM 340 O GLY A 43 -5.310 35.471 4.012 1.00 77.69 O ATOM 341 H GLY A 43 -3.052 35.474 3.380 1.00 0.00 H ATOM 342 N PHE A 44 -5.700 35.166 6.208 1.00 90.58 N ATOM 343 CA PHE A 44 -7.092 35.593 6.115 1.00 96.08 C ATOM 344 C PHE A 44 -7.694 36.010 7.462 1.00103.34 C ATOM 345 O PHE A 44 -7.408 35.407 8.500 1.00107.21 O ATOM 346 CB PHE A 44 -7.937 34.476 5.492 1.00 96.65 C ATOM 347 CG PHE A 44 -9.340 34.893 5.145 1.00104.04 C ATOM 348 CD1 PHE A 44 -9.577 36.058 4.434 1.00106.77 C ATOM 349 CD2 PHE A 44 -10.421 34.107 5.513 1.00108.12 C ATOM 350 CE1 PHE A 44 -10.867 36.441 4.110 1.00110.19 C ATOM 351 CE2 PHE A 44 -11.712 34.484 5.190 1.00111.64 C ATOM 352 CZ PHE A 44 -11.935 35.652 4.487 1.00112.50 C ATOM 353 H PHE A 44 -5.312 34.880 7.130 1.00 0.00 H ATOM 354 N ASP A 45 -8.505 37.066 7.419 1.00104.31 N ATOM 355 CA ASP A 45 -9.381 37.483 8.520 1.00108.43 C ATOM 356 C ASP A 45 -8.679 38.090 9.739 1.00109.83 C ATOM 357 O ASP A 45 -9.347 38.563 10.657 1.00116.37 O ATOM 358 CB ASP A 45 -10.245 36.301 8.979 1.00108.16 C ATOM 359 H ASP A 45 -8.518 37.633 6.547 1.00 0.00 H ATOM 360 N ARG A 46 -7.351 38.090 9.757 1.00104.67 N ATOM 361 CA ARG A 46 -6.619 38.689 10.873 1.00101.06 C ATOM 362 C ARG A 46 -5.238 39.159 10.435 1.00 94.98 C ATOM 363 O ARG A 46 -4.235 38.862 11.084 1.00 93.64 O ATOM 364 CB ARG A 46 -6.495 37.697 12.032 1.00100.88 C ATOM 365 H ARG A 46 -6.826 37.660 8.969 1.00 0.00 H ATOM 366 N LEU A 47 -5.203 39.911 9.340 1.00 87.80 N ATOM 367 CA LEU A 47 -3.952 40.271 8.680 1.00 84.27 C ATOM 368 C LEU A 47 -3.081 41.212 9.509 1.00 85.96 C ATOM 369 O LEU A 47 -1.855 41.182 9.398 1.00 86.60 O ATOM 370 CB LEU A 47 -4.239 40.894 7.312 1.00 83.89 C ATOM 371 CG LEU A 47 -4.712 39.933 6.211 1.00 85.19 C ATOM 372 CD1 LEU A 47 -6.190 39.551 6.360 1.00 87.34 C ATOM 373 CD2 LEU A 47 -4.443 40.521 4.829 1.00 85.86 C ATOM 374 H LEU A 47 -6.099 40.255 8.939 1.00 0.00 H ATOM 375 N ARG A 48 -3.708 42.047 10.331 1.00 86.05 N ATOM 376 CA ARG A 48 -2.965 42.882 11.267 1.00 87.11 C ATOM 377 C ARG A 48 -2.226 41.991 12.260 1.00 85.63 C ATOM 378 O ARG A 48 -1.031 42.166 12.504 1.00 85.39 O ATOM 379 CB ARG A 48 -3.898 43.844 12.009 1.00 88.99 C ATOM 380 CG ARG A 48 -4.507 44.938 11.143 1.00 89.66 C ATOM 381 CD ARG A 48 -3.519 46.066 10.881 1.00 91.67 C ATOM 382 NE ARG A 48 -4.094 47.114 10.040 1.00 96.65 N ATOM 383 CZ ARG A 48 -4.782 48.154 10.501 1.00 99.97 C ATOM 384 NH1 ARG A 48 -4.987 48.291 11.805 1.00 97.43 N ATOM 385 NH2 ARG A 48 -5.268 49.057 9.658 1.00102.42 N ATOM 386 HE ARG A 48 -3.956 47.041 9.012 1.00 0.00 H ATOM 387 HH12 ARG A 48 -5.525 49.105 12.164 1.00 0.00 H ATOM 388 HH11 ARG A 48 -4.609 47.584 12.468 1.00 0.00 H ATOM 389 HH22 ARG A 48 -5.806 49.870 10.020 1.00 0.00 H ATOM 390 HH21 ARG A 48 -5.111 48.951 8.635 1.00 0.00 H ATOM 391 H ARG A 48 -4.746 42.106 10.306 1.00 0.00 H ATOM 392 N LEU A 49 -2.951 41.024 12.817 1.00 86.84 N ATOM 393 CA LEU A 49 -2.401 40.114 13.815 1.00 83.78 C ATOM 394 C LEU A 49 -1.442 39.100 13.196 1.00 82.64 C ATOM 395 O LEU A 49 -0.491 38.662 13.843 1.00 82.77 O ATOM 396 CB LEU A 49 -3.532 39.386 14.546 1.00 81.24 C ATOM 397 H LEU A 49 -3.945 40.913 12.531 1.00 0.00 H ATOM 398 N ILE A 50 -1.695 38.730 11.944 1.00 76.80 N ATOM 399 CA ILE A 50 -0.856 37.757 11.250 1.00 74.82 C ATOM 400 C ILE A 50 0.482 38.373 10.843 1.00 75.05 C ATOM 401 O ILE A 50 1.533 37.742 10.979 1.00 76.07 O ATOM 402 CB ILE A 50 -1.570 37.183 10.005 1.00 72.38 C ATOM 403 CG1 ILE A 50 -2.662 36.200 10.433 1.00 71.55 C ATOM 404 CG2 ILE A 50 -0.584 36.482 9.085 1.00 60.12 C ATOM 405 CD1 ILE A 50 -3.383 35.542 9.279 1.00 73.29 C ATOM 406 H ILE A 50 -2.510 39.143 11.447 1.00 0.00 H ATOM 407 N GLN A 51 0.439 39.611 10.358 1.00 75.95 N ATOM 408 CA GLN A 51 1.647 40.325 9.957 1.00 78.47 C ATOM 409 C GLN A 51 2.632 40.444 11.117 1.00 78.88 C ATOM 410 O GLN A 51 3.847 40.405 10.921 1.00 79.66 O ATOM 411 CB GLN A 51 1.293 41.714 9.421 1.00 83.34 C ATOM 412 CG GLN A 51 2.492 42.563 9.033 1.00 88.06 C ATOM 413 CD GLN A 51 3.342 41.917 7.955 1.00 90.39 C ATOM 414 OE1 GLN A 51 2.997 41.945 6.772 1.00 90.36 O ATOM 415 NE2 GLN A 51 4.464 41.332 8.360 1.00 90.22 N ATOM 416 HE22 GLN A 51 4.716 41.332 9.369 1.00 0.00 H ATOM 417 HE21 GLN A 51 5.091 40.874 7.668 1.00 0.00 H ATOM 418 H GLN A 51 -0.482 40.084 10.262 1.00 0.00 H ATOM 419 N ARG A 52 2.100 40.574 12.328 1.00 78.84 N ATOM 420 CA ARG A 52 2.932 40.707 13.515 1.00 84.56 C ATOM 421 C ARG A 52 3.561 39.367 13.896 1.00 84.40 C ATOM 422 O ARG A 52 4.622 39.327 14.521 1.00 84.02 O ATOM 423 CB ARG A 52 2.114 41.272 14.677 1.00 92.84 C ATOM 424 CG ARG A 52 2.909 42.171 15.611 1.00101.91 C ATOM 425 CD ARG A 52 2.071 43.334 16.134 1.00110.49 C ATOM 426 NE ARG A 52 0.981 42.899 17.004 1.00113.91 N ATOM 427 CZ ARG A 52 -0.278 42.746 16.608 1.00112.91 C ATOM 428 NH1 ARG A 52 -0.616 42.993 15.350 1.00114.04 N ATOM 429 NH2 ARG A 52 -1.202 42.346 17.470 1.00111.99 N ATOM 430 HE ARG A 52 1.205 42.696 17.999 1.00 0.00 H ATOM 431 HH12 ARG A 52 -1.602 42.872 15.043 1.00 0.00 H ATOM 432 HH11 ARG A 52 0.105 43.308 14.670 1.00 0.00 H ATOM 433 HH22 ARG A 52 -2.187 42.227 17.158 1.00 0.00 H ATOM 434 HH21 ARG A 52 -0.942 42.151 18.458 1.00 0.00 H ATOM 435 H ARG A 52 1.065 40.581 12.430 1.00 0.00 H ATOM 436 N ILE A 53 2.900 38.273 13.523 1.00 82.10 N ATOM 437 CA ILE A 53 3.477 36.939 13.668 1.00 75.46 C ATOM 438 C ILE A 53 4.564 36.756 12.614 1.00 71.43 C ATOM 439 O ILE A 53 5.645 36.239 12.892 1.00 69.69 O ATOM 440 CB ILE A 53 2.416 35.826 13.514 1.00 72.66 C ATOM 441 CG1 ILE A 53 1.346 35.937 14.603 1.00 66.14 C ATOM 442 CG2 ILE A 53 3.072 34.451 13.554 1.00 69.15 C ATOM 443 CD1 ILE A 53 1.742 35.312 15.927 1.00 81.28 C ATOM 444 H ILE A 53 1.947 38.371 13.118 1.00 0.00 H ATOM 445 N THR A 54 4.254 37.200 11.400 1.00 72.64 N ATOM 446 CA THR A 54 5.175 37.163 10.270 1.00 71.85 C ATOM 447 C THR A 54 6.461 37.946 10.538 1.00 73.59 C ATOM 448 O THR A 54 7.546 37.538 10.116 1.00 69.98 O ATOM 449 CB THR A 54 4.483 37.714 9.006 1.00 75.60 C ATOM 450 OG1 THR A 54 3.649 36.695 8.442 1.00 74.68 O ATOM 451 CG2 THR A 54 5.497 38.174 7.966 1.00 79.21 C ATOM 452 HG1 THR A 54 3.204 37.046 7.631 1.00 0.00 H ATOM 453 H THR A 54 3.304 37.595 11.248 1.00 0.00 H ATOM 454 N ASP A 55 6.337 39.056 11.262 1.00 72.68 N ATOM 455 CA ASP A 55 7.475 39.926 11.552 1.00 75.82 C ATOM 456 C ASP A 55 8.588 39.230 12.337 1.00 74.38 C ATOM 457 O ASP A 55 9.727 39.695 12.346 1.00 76.85 O ATOM 458 CB ASP A 55 7.014 41.167 12.321 1.00 84.53 C ATOM 459 CG ASP A 55 6.301 42.173 11.437 1.00 90.75 C ATOM 460 OD1 ASP A 55 6.418 42.069 10.196 1.00 93.66 O ATOM 461 OD2 ASP A 55 5.632 43.076 11.983 1.00 94.78 O ATOM 462 H ASP A 55 5.400 39.313 11.633 1.00 0.00 H ATOM 463 N ARG A 56 8.260 38.119 12.991 1.00 73.69 N ATOM 464 CA ARG A 56 9.246 37.375 13.772 1.00 78.40 C ATOM 465 C ARG A 56 10.114 36.472 12.893 1.00 76.39 C ATOM 466 O ARG A 56 11.110 35.917 13.357 1.00 77.50 O ATOM 467 CB ARG A 56 8.554 36.540 14.852 1.00 84.27 C ATOM 468 CG ARG A 56 7.748 37.353 15.856 1.00 89.05 C ATOM 469 CD ARG A 56 7.071 36.444 16.871 1.00 89.09 C ATOM 470 NE ARG A 56 5.791 36.980 17.326 1.00 86.49 N ATOM 471 CZ ARG A 56 4.807 36.237 17.823 1.00 81.99 C ATOM 472 NH1 ARG A 56 4.955 34.922 17.926 1.00 78.09 N ATOM 473 NH2 ARG A 56 3.673 36.805 18.211 1.00 82.68 N ATOM 474 HE ARG A 56 5.640 38.007 17.257 1.00 0.00 H ATOM 475 HH12 ARG A 56 4.185 34.341 18.315 1.00 0.00 H ATOM 476 HH11 ARG A 56 5.841 34.473 17.618 1.00 0.00 H ATOM 477 HH22 ARG A 56 2.905 36.221 18.599 1.00 0.00 H ATOM 478 HH21 ARG A 56 3.552 37.834 18.127 1.00 0.00 H ATOM 479 H ARG A 56 7.281 37.772 12.946 1.00 0.00 H ATOM 480 N LEU A 57 9.730 36.324 11.629 1.00 72.08 N ATOM 481 CA LEU A 57 10.522 35.568 10.664 1.00 69.08 C ATOM 482 C LEU A 57 11.847 36.278 10.389 1.00 71.36 C ATOM 483 O LEU A 57 11.928 37.498 10.517 1.00 75.87 O ATOM 484 CB LEU A 57 9.731 35.376 9.368 1.00 68.67 C ATOM 485 CG LEU A 57 8.523 34.446 9.473 1.00 66.80 C ATOM 486 CD1 LEU A 57 7.621 34.586 8.264 1.00 65.06 C ATOM 487 CD2 LEU A 57 8.984 33.006 9.626 1.00 66.94 C ATOM 488 H LEU A 57 8.838 36.760 11.318 1.00 0.00 H ATOM 489 N PRO A 58 12.893 35.516 10.017 1.00 71.24 N ATOM 490 CA PRO A 58 14.229 36.071 9.758 1.00 71.59 C ATOM 491 C PRO A 58 14.229 37.256 8.793 1.00 75.93 C ATOM 492 O PRO A 58 14.888 38.262 9.058 1.00 80.55 O ATOM 493 CB PRO A 58 14.983 34.886 9.148 1.00 70.81 C ATOM 494 CG PRO A 58 14.333 33.694 9.747 1.00 66.99 C ATOM 495 CD PRO A 58 12.878 34.046 9.900 1.00 66.53 C ATOM 496 N ALA A 59 13.494 37.136 7.693 1.00 73.54 N ATOM 497 CA ALA A 59 13.448 38.192 6.690 1.00 73.29 C ATOM 498 C ALA A 59 12.030 38.704 6.489 1.00 72.34 C ATOM 499 O ALA A 59 11.059 37.997 6.756 1.00 66.69 O ATOM 500 CB ALA A 59 14.021 37.695 5.374 1.00 68.32 C ATOM 501 H ALA A 59 12.939 36.269 7.544 1.00 0.00 H ATOM 502 N LYS A 60 11.919 39.943 6.022 1.00 80.46 N ATOM 503 CA LYS A 60 10.623 40.527 5.709 1.00 81.91 C ATOM 504 C LYS A 60 10.007 39.805 4.516 1.00 84.08 C ATOM 505 O LYS A 60 10.723 39.266 3.671 1.00 83.51 O ATOM 506 CB LYS A 60 10.758 42.024 5.422 1.00 82.70 C ATOM 507 H LYS A 60 12.779 40.509 5.877 1.00 0.00 H ATOM 508 N ALA A 61 8.680 39.787 4.454 1.00 82.32 N ATOM 509 CA ALA A 61 7.976 39.112 3.370 1.00 75.97 C ATOM 510 C ALA A 61 6.582 39.695 3.174 1.00 77.14 C ATOM 511 O ALA A 61 5.876 39.966 4.147 1.00 81.76 O ATOM 512 CB ALA A 61 7.891 37.621 3.643 1.00 71.17 C ATOM 513 H ALA A 61 8.130 40.266 5.196 1.00 0.00 H ATOM 514 N PRO A 62 6.179 39.889 1.910 1.00 75.80 N ATOM 515 CA PRO A 62 4.853 40.431 1.596 1.00 77.60 C ATOM 516 C PRO A 62 3.726 39.511 2.065 1.00 72.78 C ATOM 517 O PRO A 62 3.897 38.294 2.101 1.00 68.03 O ATOM 518 CB PRO A 62 4.872 40.546 0.067 1.00 75.98 C ATOM 519 CG PRO A 62 5.914 39.572 -0.374 1.00 74.19 C ATOM 520 CD PRO A 62 6.960 39.599 0.696 1.00 72.05 C ATOM 521 N LEU A 63 2.589 40.099 2.423 1.00 75.92 N ATOM 522 CA LEU A 63 1.456 39.341 2.941 1.00 72.55 C ATOM 523 C LEU A 63 0.202 39.596 2.110 1.00 74.97 C ATOM 524 O LEU A 63 -0.314 40.713 2.082 1.00 81.40 O ATOM 525 CB LEU A 63 1.206 39.701 4.408 1.00 69.25 C ATOM 526 CG LEU A 63 0.083 38.973 5.145 1.00 66.95 C ATOM 527 CD1 LEU A 63 0.302 37.469 5.104 1.00 66.14 C ATOM 528 CD2 LEU A 63 -0.010 39.464 6.583 1.00 70.52 C ATOM 529 H LEU A 63 2.505 41.131 2.331 1.00 0.00 H ATOM 530 N LEU A 64 -0.285 38.558 1.437 1.00 73.27 N ATOM 531 CA LEU A 64 -1.446 38.685 0.560 1.00 77.78 C ATOM 532 C LEU A 64 -2.677 38.003 1.154 1.00 80.57 C ATOM 533 O LEU A 64 -2.561 36.995 1.849 1.00 77.79 O ATOM 534 CB LEU A 64 -1.138 38.096 -0.818 1.00 76.38 C ATOM 535 CG LEU A 64 0.184 38.529 -1.455 1.00 79.01 C ATOM 536 CD1 LEU A 64 0.333 37.929 -2.845 1.00 77.39 C ATOM 537 CD2 LEU A 64 0.292 40.046 -1.506 1.00 83.93 C ATOM 538 H LEU A 64 0.173 37.630 1.538 1.00 0.00 H ATOM 539 N GLU A 65 -3.857 38.550 0.878 1.00 84.33 N ATOM 540 CA GLU A 65 -5.090 37.978 1.411 1.00 83.27 C ATOM 541 C GLU A 65 -5.588 36.835 0.532 1.00 77.75 C ATOM 542 O GLU A 65 -5.752 36.997 -0.677 1.00 74.87 O ATOM 543 CB GLU A 65 -6.177 39.046 1.542 1.00 88.32 C ATOM 544 CG GLU A 65 -7.347 38.619 2.419 1.00 91.69 C ATOM 545 CD GLU A 65 -8.575 39.487 2.225 1.00 97.98 C ATOM 546 OE1 GLU A 65 -8.570 40.330 1.303 1.00101.69 O ATOM 547 OE2 GLU A 65 -9.547 39.323 2.992 1.00100.05 O ATOM 548 H GLU A 65 -3.902 39.396 0.275 1.00 0.00 H ATOM 549 N LEU A 66 -5.824 35.679 1.146 1.00 74.37 N ATOM 550 CA LEU A 66 -6.326 34.519 0.417 1.00 72.04 C ATOM 551 C LEU A 66 -7.273 33.657 1.247 1.00 69.54 C ATOM 552 O LEU A 66 -6.856 32.978 2.186 1.00 65.22 O ATOM 553 CB LEU A 66 -5.165 33.654 -0.086 1.00 66.83 C ATOM 554 CG LEU A 66 -5.593 32.353 -0.771 1.00 60.09 C ATOM 555 CD1 LEU A 66 -6.400 32.654 -2.023 1.00 57.43 C ATOM 556 CD2 LEU A 66 -4.397 31.470 -1.094 1.00 57.55 C ATOM 557 H LEU A 66 -5.647 35.600 2.168 1.00 0.00 H ATOM 558 N ASP A 67 -8.551 33.698 0.889 1.00 74.92 N ATOM 559 CA ASP A 67 -9.527 32.738 1.385 1.00 75.87 C ATOM 560 C ASP A 67 -9.767 31.717 0.280 1.00 78.14 C ATOM 561 O ASP A 67 -10.356 32.037 -0.752 1.00 85.31 O ATOM 562 CB ASP A 67 -10.830 33.431 1.788 1.00 81.52 C ATOM 563 CG ASP A 67 -11.893 32.457 2.273 1.00 83.45 C ATOM 564 OD1 ASP A 67 -11.546 31.312 2.631 1.00 83.89 O ATOM 565 OD2 ASP A 67 -13.082 32.844 2.301 1.00 83.39 O ATOM 566 H ASP A 67 -8.865 34.441 0.232 1.00 0.00 H ATOM 567 N VAL A 68 -9.308 30.489 0.498 1.00 72.59 N ATOM 568 CA VAL A 68 -9.335 29.459 -0.539 1.00 70.24 C ATOM 569 C VAL A 68 -10.750 29.000 -0.895 1.00 71.12 C ATOM 570 O VAL A 68 -10.935 28.178 -1.797 1.00 72.61 O ATOM 571 CB VAL A 68 -8.505 28.234 -0.121 1.00 67.48 C ATOM 572 CG1 VAL A 68 -7.040 28.617 0.030 1.00 68.70 C ATOM 573 CG2 VAL A 68 -9.043 27.640 1.172 1.00 65.75 C ATOM 574 H VAL A 68 -8.918 30.254 1.433 1.00 0.00 H ATOM 575 N GLN A 69 -11.743 29.529 -0.185 1.00 70.60 N ATOM 576 CA GLN A 69 -13.141 29.260 -0.495 1.00 71.56 C ATOM 577 C GLN A 69 -13.723 30.368 -1.366 1.00 76.24 C ATOM 578 O GLN A 69 -14.785 30.205 -1.967 1.00 79.68 O ATOM 579 CB GLN A 69 -13.961 29.113 0.787 1.00 72.64 C ATOM 580 CG GLN A 69 -13.614 27.886 1.608 1.00 70.04 C ATOM 581 CD GLN A 69 -14.575 27.668 2.757 1.00 72.32 C ATOM 582 OE1 GLN A 69 -15.447 26.801 2.693 1.00 72.50 O ATOM 583 NE2 GLN A 69 -14.421 28.456 3.817 1.00 73.11 N ATOM 584 HE22 GLN A 69 -13.670 29.175 3.826 1.00 0.00 H ATOM 585 HE21 GLN A 69 -15.052 28.353 4.637 1.00 0.00 H ATOM 586 H GLN A 69 -11.515 30.153 0.615 1.00 0.00 H ATOM 587 N ASN A 70 -13.019 31.495 -1.425 1.00 76.96 N ATOM 588 CA ASN A 70 -13.445 32.634 -2.228 1.00 78.58 C ATOM 589 C ASN A 70 -12.884 32.547 -3.643 1.00 74.83 C ATOM 590 O ASN A 70 -11.675 32.658 -3.848 1.00 71.86 O ATOM 591 CB ASN A 70 -13.012 33.943 -1.562 1.00 82.08 C ATOM 592 CG ASN A 70 -13.724 35.158 -2.133 1.00 86.35 C ATOM 593 OD1 ASN A 70 -13.847 35.313 -3.348 1.00 86.24 O ATOM 594 ND2 ASN A 70 -14.204 36.027 -1.249 1.00 89.69 N ATOM 595 HD22 ASN A 70 -14.077 35.857 -0.231 1.00 0.00 H ATOM 596 HD21 ASN A 70 -14.706 36.877 -1.575 1.00 0.00 H ATOM 597 H ASN A 70 -12.136 31.566 -0.880 1.00 0.00 H ATOM 598 N GLU A 71 -13.769 32.354 -4.616 1.00 77.50 N ATOM 599 CA GLU A 71 -13.356 32.192 -6.006 1.00 79.90 C ATOM 600 C GLU A 71 -12.751 33.468 -6.590 1.00 78.07 C ATOM 601 O GLU A 71 -11.910 33.407 -7.488 1.00 75.60 O ATOM 602 CB GLU A 71 -14.540 31.735 -6.861 1.00 87.43 C ATOM 603 CG GLU A 71 -14.886 30.264 -6.696 1.00 93.51 C ATOM 604 CD GLU A 71 -13.766 29.348 -7.161 1.00 99.27 C ATOM 605 OE1 GLU A 71 -13.624 28.242 -6.596 1.00100.22 O ATOM 606 OE2 GLU A 71 -13.029 29.733 -8.095 1.00102.80 O ATOM 607 H GLU A 71 -14.781 32.318 -4.380 1.00 0.00 H ATOM 608 N GLU A 72 -13.182 34.618 -6.083 1.00 79.28 N ATOM 609 CA GLU A 72 -12.625 35.893 -6.521 1.00 81.58 C ATOM 610 C GLU A 72 -11.184 36.037 -6.037 1.00 79.73 C ATOM 611 O GLU A 72 -10.325 36.541 -6.761 1.00 80.42 O ATOM 612 CB GLU A 72 -13.477 37.062 -6.017 1.00 82.58 C ATOM 613 H GLU A 72 -13.930 34.609 -5.361 1.00 0.00 H ATOM 614 N HIS A 73 -10.927 35.588 -4.811 1.00 76.94 N ATOM 615 CA HIS A 73 -9.582 35.614 -4.244 1.00 74.74 C ATOM 616 C HIS A 73 -8.615 34.772 -5.065 1.00 73.90 C ATOM 617 O HIS A 73 -7.463 35.154 -5.269 1.00 77.44 O ATOM 618 CB HIS A 73 -9.592 35.114 -2.799 1.00 74.85 C ATOM 619 CG HIS A 73 -10.144 36.100 -1.818 1.00 78.69 C ATOM 620 ND1 HIS A 73 -9.776 36.111 -0.491 1.00 78.88 N ATOM 621 CD2 HIS A 73 -11.037 37.106 -1.970 1.00 79.49 C ATOM 622 CE1 HIS A 73 -10.417 37.084 0.134 1.00 79.50 C ATOM 623 NE2 HIS A 73 -11.189 37.701 -0.742 1.00 80.71 N ATOM 624 H HIS A 73 -11.708 35.207 -4.239 1.00 0.00 H ATOM 625 N LEU A 74 -9.094 33.623 -5.528 1.00 69.62 N ATOM 626 CA LEU A 74 -8.278 32.695 -6.302 1.00 68.17 C ATOM 627 C LEU A 74 -8.052 33.190 -7.727 1.00 71.28 C ATOM 628 O LEU A 74 -6.991 32.966 -8.311 1.00 71.83 O ATOM 629 CB LEU A 74 -8.932 31.312 -6.324 1.00 56.59 C ATOM 630 CG LEU A 74 -8.978 30.580 -4.981 1.00 61.93 C ATOM 631 CD1 LEU A 74 -9.950 29.414 -5.030 1.00 52.89 C ATOM 632 CD2 LEU A 74 -7.588 30.101 -4.589 1.00 52.30 C ATOM 633 H LEU A 74 -10.085 33.377 -5.332 1.00 0.00 H ATOM 634 N ALA A 75 -9.053 33.867 -8.279 1.00 73.37 N ATOM 635 CA ALA A 75 -8.988 34.346 -9.653 1.00 75.70 C ATOM 636 C ALA A 75 -8.006 35.503 -9.798 1.00 76.61 C ATOM 637 O ALA A 75 -7.500 35.765 -10.889 1.00 80.06 O ATOM 638 CB ALA A 75 -10.371 34.764 -10.131 1.00 68.01 C ATOM 639 H ALA A 75 -9.905 34.060 -7.715 1.00 0.00 H ATOM 640 N SER A 76 -7.736 36.191 -8.694 1.00 77.75 N ATOM 641 CA SER A 76 -6.862 37.357 -8.727 1.00 77.98 C ATOM 642 C SER A 76 -5.525 37.089 -8.048 1.00 77.86 C ATOM 643 O SER A 76 -4.626 37.927 -8.089 1.00 80.22 O ATOM 644 CB SER A 76 -7.543 38.556 -8.063 1.00 78.63 C ATOM 645 OG SER A 76 -7.624 38.384 -6.658 1.00 76.14 O ATOM 646 HG SER A 76 -8.149 37.569 -6.456 1.00 0.00 H ATOM 647 H SER A 76 -8.156 35.892 -7.790 1.00 0.00 H ATOM 648 N LEU A 77 -5.399 35.919 -7.428 1.00 72.90 N ATOM 649 CA LEU A 77 -4.199 35.572 -6.670 1.00 74.43 C ATOM 650 C LEU A 77 -2.939 35.635 -7.528 1.00 71.08 C ATOM 651 O LEU A 77 -1.961 36.279 -7.152 1.00 67.93 O ATOM 652 CB LEU A 77 -4.337 34.177 -6.054 1.00 60.07 C ATOM 653 CG LEU A 77 -3.154 33.706 -5.204 1.00 58.09 C ATOM 654 CD1 LEU A 77 -2.978 34.604 -3.988 1.00 59.42 C ATOM 655 CD2 LEU A 77 -3.323 32.252 -4.784 1.00 54.73 C ATOM 656 H LEU A 77 -6.177 35.231 -7.484 1.00 0.00 H ATOM 657 N ALA A 78 -2.977 34.970 -8.681 1.00 71.33 N ATOM 658 CA ALA A 78 -1.828 34.899 -9.580 1.00 69.17 C ATOM 659 C ALA A 78 -1.281 36.284 -9.913 1.00 72.65 C ATOM 660 O ALA A 78 -0.070 36.504 -9.892 1.00 72.96 O ATOM 661 CB ALA A 78 -2.203 34.161 -10.856 1.00 66.21 C ATOM 662 H ALA A 78 -3.856 34.484 -8.951 1.00 0.00 H ATOM 663 N GLY A 79 -2.182 37.214 -10.209 1.00 77.11 N ATOM 664 CA GLY A 79 -1.796 38.571 -10.549 1.00 80.84 C ATOM 665 C GLY A 79 -1.257 39.343 -9.360 1.00 85.14 C ATOM 666 O GLY A 79 -0.288 40.092 -9.485 1.00 88.99 O ATOM 667 H GLY A 79 -3.191 36.963 -10.197 1.00 0.00 H ATOM 668 N ARG A 80 -1.886 39.160 -8.204 1.00 83.04 N ATOM 669 CA ARG A 80 -1.468 39.851 -6.989 1.00 80.93 C ATOM 670 C ARG A 80 -0.094 39.379 -6.523 1.00 77.71 C ATOM 671 O ARG A 80 0.664 40.143 -5.927 1.00 76.59 O ATOM 672 CB ARG A 80 -2.504 39.655 -5.881 1.00 80.14 C ATOM 673 CG ARG A 80 -3.814 40.374 -6.153 1.00 80.21 C ATOM 674 CD ARG A 80 -4.764 40.314 -4.969 1.00 79.35 C ATOM 675 NE ARG A 80 -5.423 39.018 -4.838 1.00 78.21 N ATOM 676 CZ ARG A 80 -5.226 38.178 -3.827 1.00 74.96 C ATOM 677 NH1 ARG A 80 -4.387 38.495 -2.850 1.00 73.37 N ATOM 678 NH2 ARG A 80 -5.872 37.021 -3.790 1.00 70.83 N ATOM 679 HE ARG A 80 -6.090 38.734 -5.584 1.00 0.00 H ATOM 680 HH12 ARG A 80 -4.235 37.835 -2.060 1.00 0.00 H ATOM 681 HH11 ARG A 80 -3.881 39.403 -2.873 1.00 0.00 H ATOM 682 HH22 ARG A 80 -5.717 36.364 -2.999 1.00 0.00 H ATOM 683 HH21 ARG A 80 -6.533 36.770 -4.552 1.00 0.00 H ATOM 684 H ARG A 80 -2.696 38.509 -8.164 1.00 0.00 H ATOM 685 N VAL A 81 0.225 38.119 -6.805 1.00 77.35 N ATOM 686 CA VAL A 81 1.538 37.573 -6.482 1.00 75.54 C ATOM 687 C VAL A 81 2.607 38.164 -7.403 1.00 79.28 C ATOM 688 O VAL A 81 3.723 38.459 -6.970 1.00 80.27 O ATOM 689 CB VAL A 81 1.547 36.033 -6.588 1.00 73.65 C ATOM 690 CG1 VAL A 81 2.958 35.489 -6.427 1.00 72.49 C ATOM 691 CG2 VAL A 81 0.620 35.425 -5.546 1.00 73.59 C ATOM 692 H VAL A 81 -0.479 37.508 -7.267 1.00 0.00 H ATOM 693 N THR A 82 2.254 38.351 -8.671 1.00 78.19 N ATOM 694 CA THR A 82 3.181 38.904 -9.652 1.00 80.52 C ATOM 695 C THR A 82 3.537 40.359 -9.332 1.00 84.70 C ATOM 696 O THR A 82 4.685 40.776 -9.497 1.00 78.96 O ATOM 697 CB THR A 82 2.600 38.817 -11.081 1.00 78.99 C ATOM 698 OG1 THR A 82 2.281 37.454 -11.388 1.00 73.44 O ATOM 699 CG2 THR A 82 3.600 39.335 -12.101 1.00 77.64 C ATOM 700 HG1 THR A 82 1.612 37.119 -10.739 1.00 0.00 H ATOM 701 H THR A 82 1.291 38.096 -8.971 1.00 0.00 H ATOM 702 N GLU A 83 2.557 41.123 -8.857 1.00 83.37 N ATOM 703 CA GLU A 83 2.784 42.522 -8.503 1.00 87.57 C ATOM 704 C GLU A 83 3.688 42.636 -7.278 1.00 87.90 C ATOM 705 O GLU A 83 4.209 43.710 -6.974 1.00 92.97 O ATOM 706 CB GLU A 83 1.455 43.239 -8.249 1.00 83.96 C ATOM 707 H GLU A 83 1.608 40.715 -8.735 1.00 0.00 H ATOM 708 N ALA A 84 3.871 41.520 -6.580 1.00 85.41 N ATOM 709 CA ALA A 84 4.731 41.479 -5.405 1.00 85.07 C ATOM 710 C ALA A 84 6.091 40.861 -5.724 1.00 86.61 C ATOM 711 O ALA A 84 7.119 41.321 -5.231 1.00 90.20 O ATOM 712 CB ALA A 84 4.053 40.710 -4.285 1.00 79.91 C ATOM 713 H ALA A 84 3.386 40.651 -6.881 1.00 0.00 H ATOM 714 N ILE A 85 6.092 39.814 -6.544 1.00 84.40 N ATOM 715 CA ILE A 85 7.331 39.143 -6.924 1.00 81.35 C ATOM 716 C ILE A 85 8.102 39.955 -7.963 1.00 84.69 C ATOM 717 O ILE A 85 9.328 39.872 -8.047 1.00 83.24 O ATOM 718 CB ILE A 85 7.061 37.731 -7.483 1.00 74.84 C ATOM 719 H ILE A 85 5.189 39.465 -6.923 1.00 0.00 H ATOM 720 N GLY A 86 7.375 40.744 -8.750 1.00 86.42 N ATOM 721 CA GLY A 86 7.973 41.516 -9.823 1.00 87.24 C ATOM 722 C GLY A 86 7.667 40.914 -11.182 1.00 87.44 C ATOM 723 O GLY A 86 7.672 39.693 -11.342 1.00 87.31 O ATOM 724 H GLY A 86 6.349 40.809 -8.592 1.00 0.00 H ATOM 725 N ALA A 87 7.395 41.771 -12.163 1.00 91.28 N ATOM 726 CA ALA A 87 7.059 41.312 -13.507 1.00 90.03 C ATOM 727 C ALA A 87 8.253 40.621 -14.154 1.00 90.47 C ATOM 728 O ALA A 87 9.396 41.042 -13.975 1.00 94.48 O ATOM 729 CB ALA A 87 6.586 42.476 -14.365 1.00 93.82 C ATOM 730 H ALA A 87 7.423 42.792 -11.967 1.00 0.00 H ATOM 731 N GLY A 88 7.985 39.555 -14.901 1.00 85.13 N ATOM 732 CA GLY A 88 9.043 38.785 -15.527 1.00 87.35 C ATOM 733 C GLY A 88 9.586 37.707 -14.607 1.00 88.89 C ATOM 734 O GLY A 88 10.343 36.836 -15.036 1.00 90.67 O ATOM 735 H GLY A 88 6.995 39.267 -15.040 1.00 0.00 H ATOM 736 N ASN A 89 9.204 37.768 -13.335 1.00 85.08 N ATOM 737 CA ASN A 89 9.601 36.751 -12.367 1.00 82.19 C ATOM 738 C ASN A 89 8.449 35.804 -12.051 1.00 79.40 C ATOM 739 O ASN A 89 7.296 36.228 -11.953 1.00 71.37 O ATOM 740 CB ASN A 89 10.111 37.399 -11.076 1.00 84.81 C ATOM 741 CG ASN A 89 11.405 38.166 -11.276 1.00 87.93 C ATOM 742 OD1 ASN A 89 12.200 37.848 -12.160 1.00 90.97 O ATOM 743 ND2 ASN A 89 11.624 39.181 -10.446 1.00 86.61 N ATOM 744 HD22 ASN A 89 10.924 39.414 -9.713 1.00 0.00 H ATOM 745 HD21 ASN A 89 12.496 39.742 -10.529 1.00 0.00 H ATOM 746 H ASN A 89 8.607 38.560 -13.022 1.00 0.00 H ATOM 747 N LYS A 90 8.767 34.523 -11.893 1.00 73.21 N ATOM 748 CA LYS A 90 7.767 33.509 -11.571 1.00 69.87 C ATOM 749 C LYS A 90 8.094 32.796 -10.261 1.00 69.52 C ATOM 750 O LYS A 90 9.200 32.919 -9.735 1.00 69.47 O ATOM 751 CB LYS A 90 7.655 32.488 -12.706 1.00 70.69 C ATOM 752 CG LYS A 90 6.874 32.974 -13.916 1.00 75.68 C ATOM 753 CD LYS A 90 6.722 31.869 -14.946 1.00 74.54 C ATOM 754 CE LYS A 90 5.794 32.286 -16.073 1.00 72.19 C ATOM 755 NZ LYS A 90 5.606 31.194 -17.070 1.00 69.35 N ATOM 756 HZ1 LYS A 90 6.527 30.940 -17.482 1.00 0.00 H ATOM 757 HZ2 LYS A 90 5.195 30.363 -16.599 1.00 0.00 H ATOM 758 HZ3 LYS A 90 4.966 31.520 -17.822 1.00 0.00 H ATOM 759 H LYS A 90 9.760 34.234 -12.002 1.00 0.00 H ATOM 760 N LEU A 91 7.123 32.050 -9.740 1.00 65.27 N ATOM 761 CA LEU A 91 7.310 31.279 -8.514 1.00 61.35 C ATOM 762 C LEU A 91 8.064 29.985 -8.781 1.00 63.83 C ATOM 763 O LEU A 91 7.926 29.384 -9.845 1.00 66.90 O ATOM 764 CB LEU A 91 5.963 30.961 -7.862 1.00 56.13 C ATOM 765 CG LEU A 91 5.225 32.106 -7.169 1.00 59.68 C ATOM 766 CD1 LEU A 91 3.870 31.635 -6.664 1.00 55.17 C ATOM 767 CD2 LEU A 91 6.058 32.677 -6.028 1.00 56.95 C ATOM 768 H LEU A 91 6.202 32.015 -10.221 1.00 0.00 H ATOM 769 N ASP A 92 8.858 29.556 -7.807 1.00 64.16 N ATOM 770 CA ASP A 92 9.589 28.302 -7.919 1.00 64.21 C ATOM 771 C ASP A 92 8.988 27.249 -6.993 1.00 62.00 C ATOM 772 O ASP A 92 9.251 26.058 -7.142 1.00 61.94 O ATOM 773 CB ASP A 92 11.073 28.505 -7.599 1.00 68.06 C ATOM 774 CG ASP A 92 11.764 29.432 -8.584 1.00 76.30 C ATOM 775 OD1 ASP A 92 12.150 28.963 -9.675 1.00 85.82 O ATOM 776 OD2 ASP A 92 11.929 30.628 -8.266 1.00 79.85 O ATOM 777 H ASP A 92 8.960 30.129 -6.945 1.00 0.00 H ATOM 778 N GLY A 93 8.177 27.692 -6.038 1.00 57.95 N ATOM 779 CA GLY A 93 7.580 26.781 -5.082 1.00 50.58 C ATOM 780 C GLY A 93 6.288 27.283 -4.469 1.00 52.56 C ATOM 781 O GLY A 93 6.086 28.485 -4.306 1.00 57.20 O ATOM 782 H GLY A 93 7.967 28.709 -5.976 1.00 0.00 H ATOM 783 N VAL A 94 5.407 26.345 -4.136 1.00 50.51 N ATOM 784 CA VAL A 94 4.156 26.653 -3.459 1.00 50.22 C ATOM 785 C VAL A 94 3.938 25.674 -2.315 1.00 46.59 C ATOM 786 O VAL A 94 3.915 24.465 -2.531 1.00 48.73 O ATOM 787 CB VAL A 94 2.950 26.586 -4.418 1.00 50.76 C ATOM 788 CG1 VAL A 94 1.653 26.786 -3.651 1.00 53.82 C ATOM 789 CG2 VAL A 94 3.087 27.619 -5.528 1.00 47.93 C ATOM 790 H VAL A 94 5.620 25.354 -4.368 1.00 0.00 H ATOM 791 N VAL A 95 3.782 26.193 -1.101 1.00 45.94 N ATOM 792 CA VAL A 95 3.546 25.340 0.061 1.00 49.45 C ATOM 793 C VAL A 95 2.104 25.446 0.560 1.00 51.31 C ATOM 794 O VAL A 95 1.659 26.512 0.990 1.00 57.38 O ATOM 795 CB VAL A 95 4.506 25.683 1.215 1.00 50.36 C ATOM 796 CG1 VAL A 95 4.131 24.909 2.472 1.00 38.44 C ATOM 797 CG2 VAL A 95 5.941 25.389 0.809 1.00 43.14 C ATOM 798 H VAL A 95 3.829 27.224 -0.976 1.00 0.00 H ATOM 799 N HIS A 96 1.381 24.332 0.496 1.00 47.50 N ATOM 800 CA HIS A 96 -0.007 24.284 0.939 1.00 45.00 C ATOM 801 C HIS A 96 -0.102 23.661 2.328 1.00 47.66 C ATOM 802 O HIS A 96 0.002 22.445 2.485 1.00 50.01 O ATOM 803 CB HIS A 96 -0.855 23.497 -0.064 1.00 45.01 C ATOM 804 CG HIS A 96 -2.316 23.460 0.266 1.00 48.91 C ATOM 805 ND1 HIS A 96 -2.846 22.604 1.207 1.00 50.33 N ATOM 806 CD2 HIS A 96 -3.359 24.166 -0.231 1.00 52.32 C ATOM 807 CE1 HIS A 96 -4.153 22.790 1.282 1.00 49.36 C ATOM 808 NE2 HIS A 96 -4.489 23.732 0.420 1.00 50.93 N ATOM 809 H HIS A 96 1.819 23.468 0.118 1.00 0.00 H ATOM 810 N SER A 97 -0.289 24.504 3.335 1.00 49.70 N ATOM 811 CA SER A 97 -0.402 24.041 4.711 1.00 53.41 C ATOM 812 C SER A 97 -1.734 24.477 5.306 1.00 57.28 C ATOM 813 O SER A 97 -1.779 25.119 6.355 1.00 57.54 O ATOM 814 CB SER A 97 0.759 24.572 5.556 1.00 56.84 C ATOM 815 OG SER A 97 0.638 24.165 6.906 1.00 63.76 O ATOM 816 HG SER A 97 -0.210 24.513 7.280 1.00 0.00 H ATOM 817 H SER A 97 -0.357 25.523 3.136 1.00 0.00 H ATOM 818 N ILE A 98 -2.818 24.125 4.625 1.00 61.04 N ATOM 819 CA ILE A 98 -4.147 24.544 5.041 1.00 61.42 C ATOM 820 C ILE A 98 -5.072 23.348 5.239 1.00 60.40 C ATOM 821 O ILE A 98 -5.241 22.523 4.340 1.00 68.01 O ATOM 822 CB ILE A 98 -4.769 25.509 4.016 1.00 60.01 C ATOM 823 CG1 ILE A 98 -3.965 26.808 3.956 1.00 60.79 C ATOM 824 CG2 ILE A 98 -6.215 25.792 4.365 1.00 62.08 C ATOM 825 CD1 ILE A 98 -4.475 27.791 2.929 1.00 64.76 C ATOM 826 H ILE A 98 -2.714 23.536 3.774 1.00 0.00 H ATOM 827 N GLY A 99 -5.659 23.255 6.427 1.00 55.58 N ATOM 828 CA GLY A 99 -6.600 22.194 6.737 1.00 54.60 C ATOM 829 C GLY A 99 -7.587 22.626 7.803 1.00 58.76 C ATOM 830 O GLY A 99 -7.256 23.427 8.678 1.00 64.92 O ATOM 831 H GLY A 99 -5.438 23.963 7.156 1.00 0.00 H ATOM 832 N PHE A 100 -8.806 22.104 7.732 1.00 55.41 N ATOM 833 CA PHE A 100 -9.837 22.468 8.693 1.00 52.98 C ATOM 834 C PHE A 100 -10.926 21.408 8.764 1.00 53.85 C ATOM 835 O PHE A 100 -11.217 20.732 7.780 1.00 53.26 O ATOM 836 CB PHE A 100 -10.446 23.828 8.339 1.00 54.23 C ATOM 837 CG PHE A 100 -11.513 24.283 9.296 1.00 63.90 C ATOM 838 CD1 PHE A 100 -11.184 24.688 10.582 1.00 70.31 C ATOM 839 CD2 PHE A 100 -12.843 24.313 8.909 1.00 66.24 C ATOM 840 CE1 PHE A 100 -12.164 25.109 11.466 1.00 73.50 C ATOM 841 CE2 PHE A 100 -13.827 24.733 9.787 1.00 72.43 C ATOM 842 CZ PHE A 100 -13.487 25.132 11.068 1.00 73.89 C ATOM 843 H PHE A 100 -9.028 21.424 6.977 1.00 0.00 H ATOM 844 N MET A 101 -11.513 21.267 9.947 1.00 57.56 N ATOM 845 CA MET A 101 -12.626 20.357 10.163 1.00 53.92 C ATOM 846 C MET A 101 -13.378 20.775 11.420 1.00 59.70 C ATOM 847 O MET A 101 -12.795 20.833 12.504 1.00 64.43 O ATOM 848 CB MET A 101 -12.136 18.912 10.281 1.00 48.91 C ATOM 849 CG MET A 101 -13.247 17.876 10.255 1.00 48.14 C ATOM 850 SD MET A 101 -14.124 17.850 8.680 1.00 53.68 S ATOM 851 CE MET A 101 -12.811 17.343 7.572 1.00 68.80 C ATOM 852 H MET A 101 -11.163 21.829 10.749 1.00 0.00 H ATOM 853 N PRO A 102 -14.674 21.090 11.274 1.00 58.46 N ATOM 854 CA PRO A 102 -15.535 21.480 12.396 1.00 59.30 C ATOM 855 C PRO A 102 -15.527 20.446 13.515 1.00 56.54 C ATOM 856 O PRO A 102 -15.264 19.269 13.258 1.00 54.26 O ATOM 857 CB PRO A 102 -16.920 21.581 11.754 1.00 52.18 C ATOM 858 CG PRO A 102 -16.643 21.913 10.336 1.00 57.46 C ATOM 859 CD PRO A 102 -15.382 21.173 9.986 1.00 55.32 C ATOM 860 N GLN A 103 -15.812 20.890 14.736 1.00 62.85 N ATOM 861 CA GLN A 103 -15.774 20.029 15.917 1.00 64.41 C ATOM 862 C GLN A 103 -16.592 18.753 15.760 1.00 63.26 C ATOM 863 O GLN A 103 -16.198 17.694 16.243 1.00 67.44 O ATOM 864 CB GLN A 103 -16.272 20.792 17.149 1.00 72.34 C ATOM 865 CG GLN A 103 -15.316 21.843 17.673 1.00 75.21 C ATOM 866 CD GLN A 103 -15.710 22.340 19.050 1.00 82.52 C ATOM 867 OE1 GLN A 103 -15.831 23.544 19.277 1.00 84.96 O ATOM 868 NE2 GLN A 103 -15.916 21.410 19.978 1.00 82.75 N ATOM 869 HE22 GLN A 103 -15.802 20.404 19.740 1.00 0.00 H ATOM 870 HE21 GLN A 103 -16.191 21.689 20.941 1.00 0.00 H ATOM 871 H GLN A 103 -16.072 21.890 14.855 1.00 0.00 H ATOM 872 N THR A 104 -17.730 18.862 15.083 1.00 62.29 N ATOM 873 CA THR A 104 -18.649 17.737 14.933 1.00 64.84 C ATOM 874 C THR A 104 -18.015 16.549 14.212 1.00 64.58 C ATOM 875 O THR A 104 -18.503 15.422 14.310 1.00 68.31 O ATOM 876 CB THR A 104 -19.920 18.156 14.171 1.00 67.32 C ATOM 877 OG1 THR A 104 -19.558 18.672 12.884 1.00 54.03 O ATOM 878 CG2 THR A 104 -20.680 19.221 14.949 1.00 59.10 C ATOM 879 HG1 THR A 104 -20.376 18.941 12.396 1.00 0.00 H ATOM 880 H THR A 104 -17.973 19.775 14.647 1.00 0.00 H ATOM 881 N GLY A 105 -16.926 16.803 13.494 1.00 62.94 N ATOM 882 CA GLY A 105 -16.254 15.761 12.745 1.00 63.22 C ATOM 883 C GLY A 105 -14.931 15.323 13.339 1.00 59.71 C ATOM 884 O GLY A 105 -14.150 14.650 12.668 1.00 55.16 O ATOM 885 H GLY A 105 -16.548 17.771 13.469 1.00 0.00 H ATOM 886 N MET A 106 -14.668 15.710 14.588 1.00 59.63 N ATOM 887 CA MET A 106 -13.439 15.310 15.280 1.00 58.96 C ATOM 888 C MET A 106 -13.661 15.080 16.772 1.00 64.52 C ATOM 889 O MET A 106 -14.753 15.308 17.290 1.00 70.52 O ATOM 890 CB MET A 106 -12.337 16.360 15.090 1.00 53.81 C ATOM 891 CG MET A 106 -11.933 16.608 13.643 1.00 47.66 C ATOM 892 SD MET A 106 -10.395 17.534 13.478 1.00 83.42 S ATOM 893 CE MET A 106 -9.203 16.287 13.971 1.00 46.46 C ATOM 894 H MET A 106 -15.354 16.313 15.085 1.00 0.00 H ATOM 895 N GLY A 107 -12.613 14.628 17.454 1.00 62.70 N ATOM 896 CA GLY A 107 -12.638 14.478 18.898 1.00 63.43 C ATOM 897 C GLY A 107 -13.544 13.379 19.421 1.00 69.39 C ATOM 898 O GLY A 107 -13.604 12.285 18.858 1.00 70.37 O ATOM 899 H GLY A 107 -11.747 14.374 16.937 1.00 0.00 H ATOM 900 N ILE A 108 -14.247 13.679 20.510 1.00 76.83 N ATOM 901 CA ILE A 108 -15.127 12.715 21.165 1.00 76.39 C ATOM 902 C ILE A 108 -16.466 12.567 20.442 1.00 76.22 C ATOM 903 O ILE A 108 -17.253 11.672 20.750 1.00 77.17 O ATOM 904 CB ILE A 108 -15.397 13.111 22.632 1.00 79.03 C ATOM 905 H ILE A 108 -14.167 14.636 20.910 1.00 0.00 H ATOM 906 N ASN A 109 -16.719 13.446 19.478 1.00 69.18 N ATOM 907 CA ASN A 109 -17.987 13.444 18.760 1.00 67.09 C ATOM 908 C ASN A 109 -18.161 12.205 17.893 1.00 61.45 C ATOM 909 O ASN A 109 -17.267 11.849 17.127 1.00 61.86 O ATOM 910 CB ASN A 109 -18.113 14.702 17.902 1.00 68.68 C ATOM 911 CG ASN A 109 -18.079 15.973 18.730 1.00 77.32 C ATOM 912 OD1 ASN A 109 -18.692 16.052 19.798 1.00 81.50 O ATOM 913 ND2 ASN A 109 -17.352 16.972 18.247 1.00 78.05 N ATOM 914 HD22 ASN A 109 -16.852 16.861 17.342 1.00 0.00 H ATOM 915 HD21 ASN A 109 -17.282 17.866 18.773 1.00 0.00 H ATOM 916 H ASN A 109 -15.996 14.151 19.230 1.00 0.00 H ATOM 917 N PRO A 110 -19.318 11.538 18.027 1.00 61.72 N ATOM 918 CA PRO A 110 -19.675 10.345 17.254 1.00 60.52 C ATOM 919 C PRO A 110 -19.517 10.560 15.756 1.00 58.34 C ATOM 920 O PRO A 110 -20.046 11.529 15.211 1.00 59.61 O ATOM 921 CB PRO A 110 -21.143 10.119 17.620 1.00 64.56 C ATOM 922 CG PRO A 110 -21.268 10.684 18.983 1.00 57.61 C ATOM 923 CD PRO A 110 -20.361 11.884 19.009 1.00 57.92 C ATOM 924 N PHE A 111 -18.793 9.651 15.111 1.00 57.41 N ATOM 925 CA PHE A 111 -18.475 9.752 13.690 1.00 52.63 C ATOM 926 C PHE A 111 -19.716 9.908 12.815 1.00 55.63 C ATOM 927 O PHE A 111 -19.674 10.585 11.788 1.00 56.45 O ATOM 928 CB PHE A 111 -17.681 8.518 13.253 1.00 51.44 C ATOM 929 CG PHE A 111 -17.221 8.560 11.824 1.00 49.63 C ATOM 930 CD1 PHE A 111 -16.072 9.247 11.472 1.00 45.67 C ATOM 931 CD2 PHE A 111 -17.927 7.897 10.834 1.00 50.85 C ATOM 932 CE1 PHE A 111 -15.644 9.284 10.161 1.00 43.28 C ATOM 933 CE2 PHE A 111 -17.502 7.930 9.518 1.00 49.18 C ATOM 934 CZ PHE A 111 -16.358 8.622 9.183 1.00 43.46 C ATOM 935 H PHE A 111 -18.437 8.831 15.643 1.00 0.00 H ATOM 936 N PHE A 112 -20.815 9.283 13.228 1.00 54.33 N ATOM 937 CA PHE A 112 -22.060 9.325 12.467 1.00 56.65 C ATOM 938 C PHE A 112 -22.826 10.630 12.662 1.00 65.38 C ATOM 939 O PHE A 112 -23.715 10.955 11.875 1.00 72.67 O ATOM 940 CB PHE A 112 -22.963 8.149 12.853 1.00 55.09 C ATOM 941 CG PHE A 112 -22.532 6.832 12.276 1.00 53.37 C ATOM 942 CD1 PHE A 112 -21.713 6.785 11.162 1.00 50.59 C ATOM 943 CD2 PHE A 112 -22.956 5.640 12.842 1.00 56.06 C ATOM 944 CE1 PHE A 112 -21.317 5.574 10.626 1.00 46.82 C ATOM 945 CE2 PHE A 112 -22.563 4.423 12.310 1.00 53.45 C ATOM 946 CZ PHE A 112 -21.743 4.391 11.200 1.00 46.53 C ATOM 947 H PHE A 112 -20.787 8.748 14.120 1.00 0.00 H ATOM 948 N ASP A 113 -22.489 11.373 13.710 1.00 66.31 N ATOM 949 CA ASP A 113 -23.256 12.565 14.063 1.00 70.14 C ATOM 950 C ASP A 113 -22.751 13.839 13.394 1.00 67.71 C ATOM 951 O ASP A 113 -23.240 14.930 13.686 1.00 75.11 O ATOM 952 CB ASP A 113 -23.269 12.758 15.579 1.00 73.94 C ATOM 953 CG ASP A 113 -24.179 11.771 16.282 1.00 79.73 C ATOM 954 OD1 ASP A 113 -24.951 11.076 15.587 1.00 77.93 O ATOM 955 OD2 ASP A 113 -24.130 11.700 17.530 1.00 85.68 O ATOM 956 H ASP A 113 -21.667 11.102 14.287 1.00 0.00 H ATOM 957 N ALA A 114 -21.779 13.704 12.500 1.00 61.00 N ATOM 958 CA ALA A 114 -21.290 14.851 11.745 1.00 58.78 C ATOM 959 C ALA A 114 -22.140 15.074 10.498 1.00 59.07 C ATOM 960 O ALA A 114 -22.143 14.246 9.588 1.00 59.57 O ATOM 961 CB ALA A 114 -19.831 14.658 11.366 1.00 51.33 C ATOM 962 H ALA A 114 -21.360 12.766 12.336 1.00 0.00 H ATOM 963 N PRO A 115 -22.871 16.198 10.456 1.00 60.12 N ATOM 964 CA PRO A 115 -23.690 16.519 9.284 1.00 61.91 C ATOM 965 C PRO A 115 -22.804 16.804 8.080 1.00 60.62 C ATOM 966 O PRO A 115 -21.690 17.296 8.262 1.00 58.33 O ATOM 967 CB PRO A 115 -24.460 17.766 9.725 1.00 64.59 C ATOM 968 CG PRO A 115 -23.579 18.403 10.745 1.00 64.59 C ATOM 969 CD PRO A 115 -22.909 17.268 11.469 1.00 64.19 C ATOM 970 N TYR A 116 -23.280 16.502 6.876 1.00 62.77 N ATOM 971 CA TYR A 116 -22.427 16.603 5.698 1.00 60.03 C ATOM 972 C TYR A 116 -21.982 18.033 5.417 1.00 63.22 C ATOM 973 O TYR A 116 -20.915 18.252 4.843 1.00 64.14 O ATOM 974 CB TYR A 116 -23.124 16.043 4.460 1.00 56.83 C ATOM 975 CG TYR A 116 -22.225 16.112 3.250 1.00 55.62 C ATOM 976 CD1 TYR A 116 -21.112 15.290 3.150 1.00 52.51 C ATOM 977 CD2 TYR A 116 -22.463 17.023 2.229 1.00 58.71 C ATOM 978 CE1 TYR A 116 -20.272 15.356 2.058 1.00 53.50 C ATOM 979 CE2 TYR A 116 -21.626 17.098 1.132 1.00 57.57 C ATOM 980 CZ TYR A 116 -20.532 16.260 1.051 1.00 56.05 C ATOM 981 OH TYR A 116 -19.694 16.324 -0.038 1.00 56.42 O ATOM 982 HH TYR A 116 -18.968 15.659 0.066 1.00 0.00 H ATOM 983 H TYR A 116 -24.267 16.192 6.774 1.00 0.00 H ATOM 984 N ALA A 117 -22.799 19.001 5.818 1.00 65.51 N ATOM 985 CA ALA A 117 -22.466 20.407 5.619 1.00 64.99 C ATOM 986 C ALA A 117 -21.119 20.741 6.256 1.00 66.67 C ATOM 987 O ALA A 117 -20.317 21.482 5.684 1.00 65.94 O ATOM 988 CB ALA A 117 -23.560 21.298 6.184 1.00 63.55 C ATOM 989 H ALA A 117 -23.695 18.751 6.284 1.00 0.00 H ATOM 990 N ASP A 118 -20.875 20.179 7.436 1.00 66.31 N ATOM 991 CA ASP A 118 -19.618 20.390 8.143 1.00 63.72 C ATOM 992 C ASP A 118 -18.468 19.641 7.473 1.00 59.78 C ATOM 993 O ASP A 118 -17.364 20.170 7.343 1.00 61.04 O ATOM 994 CB ASP A 118 -19.745 19.957 9.606 1.00 65.05 C ATOM 995 CG ASP A 118 -20.660 20.864 10.407 1.00 69.74 C ATOM 996 OD1 ASP A 118 -20.881 22.016 9.981 1.00 71.81 O ATOM 997 OD2 ASP A 118 -21.152 20.426 11.467 1.00 74.59 O ATOM 998 H ASP A 118 -21.601 19.572 7.867 1.00 0.00 H ATOM 999 N VAL A 119 -18.732 18.408 7.054 1.00 55.09 N ATOM 1000 CA VAL A 119 -17.719 17.585 6.405 1.00 52.65 C ATOM 1001 C VAL A 119 -17.321 18.173 5.052 1.00 55.68 C ATOM 1002 O VAL A 119 -16.141 18.197 4.695 1.00 60.16 O ATOM 1003 CB VAL A 119 -18.215 16.135 6.215 1.00 51.23 C ATOM 1004 CG1 VAL A 119 -17.182 15.307 5.463 1.00 47.89 C ATOM 1005 CG2 VAL A 119 -18.533 15.505 7.563 1.00 49.44 C ATOM 1006 H VAL A 119 -19.687 18.020 7.193 1.00 0.00 H ATOM 1007 N SER A 120 -18.312 18.658 4.311 1.00 53.89 N ATOM 1008 CA SER A 120 -18.073 19.269 3.007 1.00 53.40 C ATOM 1009 C SER A 120 -17.199 20.513 3.128 1.00 53.32 C ATOM 1010 O SER A 120 -16.346 20.764 2.278 1.00 56.25 O ATOM 1011 CB SER A 120 -19.398 19.621 2.329 1.00 59.57 C ATOM 1012 OG SER A 120 -19.180 20.306 1.110 1.00 61.02 O ATOM 1013 HG SER A 120 -18.682 21.143 1.288 1.00 0.00 H ATOM 1014 H SER A 120 -19.286 18.601 4.671 1.00 0.00 H ATOM 1015 N LYS A 121 -17.414 21.288 4.187 1.00 54.94 N ATOM 1016 CA LYS A 121 -16.613 22.483 4.425 1.00 56.83 C ATOM 1017 C LYS A 121 -15.169 22.091 4.715 1.00 57.61 C ATOM 1018 O LYS A 121 -14.233 22.722 4.224 1.00 58.37 O ATOM 1019 CB LYS A 121 -17.182 23.307 5.584 1.00 51.01 C ATOM 1020 CG LYS A 121 -16.525 24.675 5.744 1.00 58.90 C ATOM 1021 CD LYS A 121 -16.929 25.360 7.042 1.00 60.99 C ATOM 1022 CE LYS A 121 -16.320 26.750 7.137 1.00 69.57 C ATOM 1023 NZ LYS A 121 -16.358 27.281 8.528 1.00 76.41 N ATOM 1024 HZ1 LYS A 121 -17.345 27.335 8.850 1.00 0.00 H ATOM 1025 HZ2 LYS A 121 -15.822 26.647 9.155 1.00 0.00 H ATOM 1026 HZ3 LYS A 121 -15.933 28.230 8.547 1.00 0.00 H ATOM 1027 H LYS A 121 -18.168 21.037 4.858 1.00 0.00 H ATOM 1028 N GLY A 122 -15.000 21.040 5.511 1.00 55.17 N ATOM 1029 CA GLY A 122 -13.681 20.546 5.854 1.00 48.24 C ATOM 1030 C GLY A 122 -12.923 20.043 4.642 1.00 49.19 C ATOM 1031 O GLY A 122 -11.727 20.286 4.498 1.00 48.87 O ATOM 1032 H GLY A 122 -15.837 20.559 5.898 1.00 0.00 H ATOM 1033 N ILE A 123 -13.630 19.346 3.759 1.00 50.16 N ATOM 1034 CA ILE A 123 -13.021 18.773 2.563 1.00 48.94 C ATOM 1035 C ILE A 123 -12.713 19.852 1.525 1.00 48.82 C ATOM 1036 O ILE A 123 -11.702 19.778 0.825 1.00 51.42 O ATOM 1037 CB ILE A 123 -13.933 17.685 1.956 1.00 44.51 C ATOM 1038 CG1 ILE A 123 -13.989 16.474 2.892 1.00 42.18 C ATOM 1039 CG2 ILE A 123 -13.447 17.256 0.583 1.00 37.51 C ATOM 1040 CD1 ILE A 123 -14.785 15.310 2.345 1.00 37.05 C ATOM 1041 H ILE A 123 -14.647 19.205 3.925 1.00 0.00 H ATOM 1042 N HIS A 124 -13.576 20.860 1.439 1.00 47.98 N ATOM 1043 CA HIS A 124 -13.334 21.995 0.555 1.00 49.18 C ATOM 1044 C HIS A 124 -12.013 22.664 0.916 1.00 49.87 C ATOM 1045 O HIS A 124 -11.174 22.918 0.052 1.00 51.50 O ATOM 1046 CB HIS A 124 -14.480 23.008 0.641 1.00 50.30 C ATOM 1047 CG HIS A 124 -14.385 24.123 -0.358 1.00 55.66 C ATOM 1048 ND1 HIS A 124 -15.280 25.171 -0.391 1.00 57.52 N ATOM 1049 CD2 HIS A 124 -13.505 24.351 -1.363 1.00 54.36 C ATOM 1050 CE1 HIS A 124 -14.954 25.997 -1.370 1.00 56.45 C ATOM 1051 NE2 HIS A 124 -13.880 25.523 -1.974 1.00 55.89 N ATOM 1052 H HIS A 124 -14.442 20.839 2.014 1.00 0.00 H ATOM 1053 N ILE A 125 -11.834 22.929 2.205 1.00 47.93 N ATOM 1054 CA ILE A 125 -10.652 23.623 2.697 1.00 49.01 C ATOM 1055 C ILE A 125 -9.412 22.726 2.710 1.00 48.87 C ATOM 1056 O ILE A 125 -8.337 23.135 2.271 1.00 51.58 O ATOM 1057 CB ILE A 125 -10.897 24.187 4.113 1.00 51.18 C ATOM 1058 CG1 ILE A 125 -11.863 25.374 4.051 1.00 55.17 C ATOM 1059 CG2 ILE A 125 -9.591 24.603 4.759 1.00 49.41 C ATOM 1060 CD1 ILE A 125 -12.194 25.966 5.397 1.00 56.83 C ATOM 1061 H ILE A 125 -12.562 22.631 2.885 1.00 0.00 H ATOM 1062 N SER A 126 -9.565 21.497 3.191 1.00 48.57 N ATOM 1063 CA SER A 126 -8.416 20.618 3.391 1.00 48.66 C ATOM 1064 C SER A 126 -7.922 19.922 2.123 1.00 49.99 C ATOM 1065 O SER A 126 -6.738 19.598 2.016 1.00 52.29 O ATOM 1066 CB SER A 126 -8.746 19.560 4.443 1.00 45.86 C ATOM 1067 OG SER A 126 -9.187 20.166 5.645 1.00 47.23 O ATOM 1068 HG SER A 126 -10.000 20.702 5.464 1.00 0.00 H ATOM 1069 H SER A 126 -10.518 21.156 3.429 1.00 0.00 H ATOM 1070 N ALA A 127 -8.817 19.693 1.166 1.00 46.02 N ATOM 1071 CA ALA A 127 -8.490 18.850 0.018 1.00 43.67 C ATOM 1072 C ALA A 127 -8.685 19.539 -1.337 1.00 46.62 C ATOM 1073 O ALA A 127 -7.763 19.575 -2.153 1.00 45.83 O ATOM 1074 CB ALA A 127 -9.310 17.567 0.073 1.00 36.80 C ATOM 1075 H ALA A 127 -9.763 20.120 1.236 1.00 0.00 H ATOM 1076 N TYR A 128 -9.883 20.065 -1.580 1.00 43.02 N ATOM 1077 CA TYR A 128 -10.201 20.706 -2.855 1.00 41.97 C ATOM 1078 C TYR A 128 -9.340 21.943 -3.094 1.00 49.25 C ATOM 1079 O TYR A 128 -8.960 22.238 -4.229 1.00 53.94 O ATOM 1080 CB TYR A 128 -11.687 21.083 -2.907 1.00 42.81 C ATOM 1081 CG TYR A 128 -12.121 21.741 -4.203 1.00 47.88 C ATOM 1082 CD1 TYR A 128 -12.415 20.979 -5.326 1.00 49.44 C ATOM 1083 CD2 TYR A 128 -12.248 23.122 -4.300 1.00 48.51 C ATOM 1084 CE1 TYR A 128 -12.813 21.570 -6.511 1.00 50.63 C ATOM 1085 CE2 TYR A 128 -12.647 23.724 -5.482 1.00 51.33 C ATOM 1086 CZ TYR A 128 -12.928 22.941 -6.583 1.00 53.64 C ATOM 1087 OH TYR A 128 -13.325 23.526 -7.763 1.00 58.05 O ATOM 1088 HH TYR A 128 -13.483 22.823 -8.442 1.00 0.00 H ATOM 1089 H TYR A 128 -10.614 20.019 -0.842 1.00 0.00 H ATOM 1090 N SER A 129 -9.035 22.657 -2.014 1.00 50.29 N ATOM 1091 CA SER A 129 -8.275 23.899 -2.090 1.00 52.62 C ATOM 1092 C SER A 129 -6.870 23.673 -2.636 1.00 50.83 C ATOM 1093 O SER A 129 -6.266 24.577 -3.213 1.00 53.75 O ATOM 1094 CB SER A 129 -8.195 24.559 -0.714 1.00 55.44 C ATOM 1095 OG SER A 129 -7.434 23.767 0.179 1.00 54.94 O ATOM 1096 HG SER A 129 -7.395 24.212 1.062 1.00 0.00 H ATOM 1097 H SER A 129 -9.350 22.317 -1.083 1.00 0.00 H ATOM 1098 N TYR A 130 -6.353 22.464 -2.443 1.00 47.15 N ATOM 1099 CA TYR A 130 -5.044 22.098 -2.968 1.00 49.10 C ATOM 1100 C TYR A 130 -5.033 22.192 -4.491 1.00 49.11 C ATOM 1101 O TYR A 130 -4.035 22.591 -5.090 1.00 49.07 O ATOM 1102 CB TYR A 130 -4.658 20.687 -2.519 1.00 45.93 C ATOM 1103 CG TYR A 130 -3.238 20.306 -2.869 1.00 45.66 C ATOM 1104 CD1 TYR A 130 -2.170 20.780 -2.119 1.00 45.52 C ATOM 1105 CD2 TYR A 130 -2.965 19.471 -3.947 1.00 42.27 C ATOM 1106 CE1 TYR A 130 -0.869 20.437 -2.433 1.00 44.89 C ATOM 1107 CE2 TYR A 130 -1.663 19.121 -4.268 1.00 40.43 C ATOM 1108 CZ TYR A 130 -0.620 19.609 -3.507 1.00 44.36 C ATOM 1109 OH TYR A 130 0.680 19.270 -3.813 1.00 45.69 O ATOM 1110 HH TYR A 130 0.892 19.575 -4.731 1.00 0.00 H ATOM 1111 H TYR A 130 -6.897 21.761 -1.903 1.00 0.00 H ATOM 1112 N ALA A 131 -6.155 21.831 -5.107 1.00 48.46 N ATOM 1113 CA ALA A 131 -6.299 21.915 -6.555 1.00 47.11 C ATOM 1114 C ALA A 131 -6.605 23.347 -6.981 1.00 54.32 C ATOM 1115 O ALA A 131 -6.131 23.810 -8.020 1.00 58.71 O ATOM 1116 CB ALA A 131 -7.391 20.968 -7.039 1.00 42.43 C ATOM 1117 H ALA A 131 -6.952 21.479 -4.540 1.00 0.00 H ATOM 1118 N SER A 132 -7.405 24.039 -6.172 1.00 52.54 N ATOM 1119 CA SER A 132 -7.742 25.436 -6.426 1.00 53.88 C ATOM 1120 C SER A 132 -6.480 26.284 -6.460 1.00 52.53 C ATOM 1121 O SER A 132 -6.326 27.164 -7.310 1.00 53.48 O ATOM 1122 CB SER A 132 -8.701 25.972 -5.355 1.00 57.13 C ATOM 1123 OG SER A 132 -9.927 25.263 -5.345 1.00 59.51 O ATOM 1124 HG SER A 132 -9.752 24.307 -5.156 1.00 0.00 H ATOM 1125 H SER A 132 -7.802 23.569 -5.333 1.00 0.00 H ATOM 1126 N MET A 133 -5.580 26.004 -5.524 1.00 49.02 N ATOM 1127 CA MET A 133 -4.330 26.739 -5.400 1.00 52.23 C ATOM 1128 C MET A 133 -3.390 26.399 -6.548 1.00 52.22 C ATOM 1129 O MET A 133 -2.703 27.268 -7.081 1.00 57.25 O ATOM 1130 CB MET A 133 -3.670 26.430 -4.056 1.00 54.53 C ATOM 1131 CG MET A 133 -2.551 27.374 -3.672 1.00 59.45 C ATOM 1132 SD MET A 133 -2.094 27.169 -1.941 1.00 82.18 S ATOM 1133 CE MET A 133 -3.667 27.509 -1.155 1.00 84.28 C ATOM 1134 H MET A 133 -5.776 25.232 -4.856 1.00 0.00 H ATOM 1135 N ALA A 134 -3.368 25.127 -6.931 1.00 51.76 N ATOM 1136 CA ALA A 134 -2.543 24.686 -8.047 1.00 47.85 C ATOM 1137 C ALA A 134 -3.047 25.286 -9.353 1.00 50.62 C ATOM 1138 O ALA A 134 -2.257 25.704 -10.199 1.00 56.63 O ATOM 1139 CB ALA A 134 -2.526 23.173 -8.130 1.00 39.71 C ATOM 1140 H ALA A 134 -3.952 24.432 -6.423 1.00 0.00 H ATOM 1141 N LYS A 135 -4.366 25.327 -9.508 1.00 48.26 N ATOM 1142 CA LYS A 135 -4.986 25.923 -10.685 1.00 54.16 C ATOM 1143 C LYS A 135 -4.607 27.396 -10.828 1.00 58.53 C ATOM 1144 O LYS A 135 -4.386 27.888 -11.935 1.00 61.97 O ATOM 1145 CB LYS A 135 -6.509 25.779 -10.614 1.00 55.33 C ATOM 1146 CG LYS A 135 -7.250 26.506 -11.721 1.00 59.83 C ATOM 1147 CD LYS A 135 -8.754 26.438 -11.528 1.00 62.72 C ATOM 1148 CE LYS A 135 -9.479 27.210 -12.619 1.00 66.69 C ATOM 1149 NZ LYS A 135 -10.958 27.119 -12.471 1.00 71.65 N ATOM 1150 HZ1 LYS A 135 -11.250 26.122 -12.526 1.00 0.00 H ATOM 1151 HZ2 LYS A 135 -11.238 27.513 -11.550 1.00 0.00 H ATOM 1152 HZ3 LYS A 135 -11.415 27.658 -13.234 1.00 0.00 H ATOM 1153 H LYS A 135 -4.974 24.922 -8.768 1.00 0.00 H ATOM 1154 N ALA A 136 -4.516 28.093 -9.701 1.00 58.97 N ATOM 1155 CA ALA A 136 -4.283 29.531 -9.718 1.00 59.48 C ATOM 1156 C ALA A 136 -2.809 29.893 -9.888 1.00 62.67 C ATOM 1157 O ALA A 136 -2.486 30.945 -10.437 1.00 65.14 O ATOM 1158 CB ALA A 136 -4.830 30.162 -8.445 1.00 59.65 C ATOM 1159 H ALA A 136 -4.613 27.603 -8.789 1.00 0.00 H ATOM 1160 N LEU A 137 -1.917 29.021 -9.428 1.00 60.54 N ATOM 1161 CA LEU A 137 -0.506 29.381 -9.321 1.00 59.27 C ATOM 1162 C LEU A 137 0.407 28.730 -10.360 1.00 63.75 C ATOM 1163 O LEU A 137 1.464 29.274 -10.677 1.00 69.44 O ATOM 1164 CB LEU A 137 0.000 29.051 -7.917 1.00 51.19 C ATOM 1165 CG LEU A 137 -0.661 29.879 -6.809 1.00 56.11 C ATOM 1166 CD1 LEU A 137 -0.043 29.583 -5.448 1.00 49.03 C ATOM 1167 CD2 LEU A 137 -0.574 31.365 -7.131 1.00 53.75 C ATOM 1168 H LEU A 137 -2.228 28.071 -9.141 1.00 0.00 H ATOM 1169 N LEU A 138 0.011 27.575 -10.885 1.00 58.60 N ATOM 1170 CA LEU A 138 0.808 26.894 -11.909 1.00 57.06 C ATOM 1171 C LEU A 138 1.160 27.767 -13.127 1.00 61.44 C ATOM 1172 O LEU A 138 2.275 27.672 -13.637 1.00 64.37 O ATOM 1173 CB LEU A 138 0.098 25.621 -12.384 1.00 55.07 C ATOM 1174 CG LEU A 138 0.335 24.351 -11.565 1.00 52.56 C ATOM 1175 CD1 LEU A 138 -0.432 23.185 -12.158 1.00 51.43 C ATOM 1176 CD2 LEU A 138 1.818 24.030 -11.491 1.00 52.48 C ATOM 1177 H LEU A 138 -0.881 27.147 -10.563 1.00 0.00 H ATOM 1178 N PRO A 139 0.218 28.607 -13.609 1.00 64.36 N ATOM 1179 CA PRO A 139 0.591 29.484 -14.728 1.00 67.94 C ATOM 1180 C PRO A 139 1.786 30.399 -14.455 1.00 72.62 C ATOM 1181 O PRO A 139 2.499 30.756 -15.394 1.00 75.25 O ATOM 1182 CB PRO A 139 -0.674 30.316 -14.944 1.00 66.21 C ATOM 1183 CG PRO A 139 -1.767 29.415 -14.546 1.00 62.06 C ATOM 1184 CD PRO A 139 -1.240 28.636 -13.375 1.00 62.28 C ATOM 1185 N ILE A 140 2.001 30.775 -13.199 1.00 72.87 N ATOM 1186 CA ILE A 140 3.126 31.643 -12.861 1.00 71.83 C ATOM 1187 C ILE A 140 4.235 30.884 -12.129 1.00 65.09 C ATOM 1188 O ILE A 140 4.966 31.461 -11.325 1.00 64.68 O ATOM 1189 CB ILE A 140 2.680 32.848 -12.001 1.00 67.29 C ATOM 1190 CG1 ILE A 140 1.962 32.376 -10.735 1.00 62.05 C ATOM 1191 CG2 ILE A 140 1.785 33.780 -12.807 1.00 64.64 C ATOM 1192 CD1 ILE A 140 1.575 33.499 -9.800 1.00 64.93 C ATOM 1193 H ILE A 140 1.361 30.447 -12.448 1.00 0.00 H ATOM 1194 N MET A 141 4.362 29.593 -12.419 1.00 61.26 N ATOM 1195 CA MET A 141 5.447 28.790 -11.865 1.00 58.21 C ATOM 1196 C MET A 141 6.470 28.418 -12.938 1.00 61.61 C ATOM 1197 O MET A 141 6.110 28.132 -14.081 1.00 65.97 O ATOM 1198 CB MET A 141 4.900 27.524 -11.202 1.00 53.69 C ATOM 1199 CG MET A 141 4.139 27.784 -9.916 1.00 49.74 C ATOM 1200 SD MET A 141 3.761 26.282 -8.993 1.00 54.19 S ATOM 1201 CE MET A 141 5.389 25.821 -8.409 1.00 59.73 C ATOM 1202 H MET A 141 3.672 29.145 -13.055 1.00 0.00 H ATOM 1203 N ASN A 142 7.745 28.429 -12.561 1.00 59.26 N ATOM 1204 CA ASN A 142 8.824 28.049 -13.468 1.00 64.31 C ATOM 1205 C ASN A 142 8.952 26.537 -13.568 1.00 60.49 C ATOM 1206 O ASN A 142 8.588 25.824 -12.636 1.00 55.91 O ATOM 1207 CB ASN A 142 10.155 28.649 -13.004 1.00 70.11 C ATOM 1208 CG ASN A 142 10.260 30.133 -13.289 1.00 76.22 C ATOM 1209 OD1 ASN A 142 9.993 30.587 -14.403 1.00 84.82 O ATOM 1210 ND2 ASN A 142 10.654 30.900 -12.278 1.00 76.05 N ATOM 1211 HD22 ASN A 142 10.869 30.473 -11.354 1.00 0.00 H ATOM 1212 HD21 ASN A 142 10.748 31.927 -12.410 1.00 0.00 H ATOM 1213 H ASN A 142 7.981 28.717 -11.590 1.00 0.00 H ATOM 1214 N PRO A 143 9.460 26.041 -14.706 1.00 60.46 N ATOM 1215 CA PRO A 143 9.747 24.610 -14.837 1.00 57.65 C ATOM 1216 C PRO A 143 10.759 24.164 -13.790 1.00 60.82 C ATOM 1217 O PRO A 143 11.688 24.912 -13.487 1.00 64.72 O ATOM 1218 CB PRO A 143 10.326 24.492 -16.250 1.00 59.21 C ATOM 1219 CG PRO A 143 9.774 25.662 -16.980 1.00 63.49 C ATOM 1220 CD PRO A 143 9.682 26.766 -15.968 1.00 66.38 C ATOM 1221 N GLY A 144 10.575 22.969 -13.240 1.00 59.79 N ATOM 1222 CA GLY A 144 11.435 22.481 -12.178 1.00 59.68 C ATOM 1223 C GLY A 144 10.920 22.899 -10.814 1.00 59.64 C ATOM 1224 O GLY A 144 11.529 22.602 -9.785 1.00 58.95 O ATOM 1225 H GLY A 144 9.796 22.369 -13.579 1.00 0.00 H ATOM 1226 N GLY A 145 9.784 23.592 -10.814 1.00 61.51 N ATOM 1227 CA GLY A 145 9.172 24.073 -9.590 1.00 57.75 C ATOM 1228 C GLY A 145 8.598 22.950 -8.750 1.00 59.35 C ATOM 1229 O GLY A 145 8.610 21.790 -9.160 1.00 58.97 O ATOM 1230 H GLY A 145 9.319 23.796 -11.722 1.00 0.00 H ATOM 1231 N SER A 146 8.085 23.296 -7.575 1.00 57.15 N ATOM 1232 CA SER A 146 7.604 22.290 -6.640 1.00 51.76 C ATOM 1233 C SER A 146 6.397 22.760 -5.838 1.00 50.83 C ATOM 1234 O SER A 146 6.454 23.782 -5.159 1.00 52.68 O ATOM 1235 CB SER A 146 8.728 21.884 -5.684 1.00 50.77 C ATOM 1236 OG SER A 146 8.258 20.979 -4.697 1.00 49.32 O ATOM 1237 HG SER A 146 9.004 20.734 -4.094 1.00 0.00 H ATOM 1238 H SER A 146 8.026 24.302 -7.319 1.00 0.00 H ATOM 1239 N ILE A 147 5.306 22.006 -5.922 1.00 49.21 N ATOM 1240 CA ILE A 147 4.150 22.236 -5.063 1.00 45.97 C ATOM 1241 C ILE A 147 4.144 21.208 -3.942 1.00 47.42 C ATOM 1242 O ILE A 147 4.204 20.005 -4.195 1.00 51.13 O ATOM 1243 CB ILE A 147 2.820 22.145 -5.833 1.00 44.26 C ATOM 1244 CG1 ILE A 147 2.842 23.047 -7.069 1.00 48.21 C ATOM 1245 CG2 ILE A 147 1.655 22.504 -4.922 1.00 37.53 C ATOM 1246 CD1 ILE A 147 1.573 22.973 -7.889 1.00 47.72 C ATOM 1247 H ILE A 147 5.276 21.233 -6.617 1.00 0.00 H ATOM 1248 N VAL A 148 4.075 21.678 -2.702 1.00 45.88 N ATOM 1249 CA VAL A 148 4.100 20.779 -1.557 1.00 46.66 C ATOM 1250 C VAL A 148 2.915 21.029 -0.632 1.00 48.66 C ATOM 1251 O VAL A 148 2.619 22.171 -0.283 1.00 48.81 O ATOM 1252 CB VAL A 148 5.411 20.923 -0.753 1.00 44.70 C ATOM 1253 CG1 VAL A 148 5.432 19.950 0.424 1.00 39.04 C ATOM 1254 CG2 VAL A 148 6.617 20.703 -1.654 1.00 41.76 C ATOM 1255 H VAL A 148 4.002 22.704 -2.546 1.00 0.00 H ATOM 1256 N GLY A 149 2.238 19.951 -0.245 1.00 48.63 N ATOM 1257 CA GLY A 149 1.130 20.030 0.689 1.00 45.37 C ATOM 1258 C GLY A 149 1.417 19.249 1.957 1.00 44.84 C ATOM 1259 O GLY A 149 2.372 18.474 2.012 1.00 44.58 O ATOM 1260 H GLY A 149 2.512 19.022 -0.624 1.00 0.00 H ATOM 1261 N MET A 150 0.590 19.451 2.979 1.00 43.43 N ATOM 1262 CA MET A 150 0.768 18.758 4.253 1.00 43.22 C ATOM 1263 C MET A 150 -0.216 17.601 4.412 1.00 43.74 C ATOM 1264 O MET A 150 -1.329 17.643 3.891 1.00 41.97 O ATOM 1265 CB MET A 150 0.624 19.739 5.416 1.00 42.63 C ATOM 1266 CG MET A 150 1.705 20.805 5.452 1.00 44.64 C ATOM 1267 SD MET A 150 3.365 20.098 5.426 1.00 57.79 S ATOM 1268 CE MET A 150 3.306 19.059 6.882 1.00 44.01 C ATOM 1269 H MET A 150 -0.201 20.117 2.869 1.00 0.00 H ATOM 1270 N ASP A 151 0.199 16.568 5.139 1.00 44.26 N ATOM 1271 CA ASP A 151 -0.578 15.339 5.213 1.00 38.53 C ATOM 1272 C ASP A 151 -0.385 14.618 6.547 1.00 40.07 C ATOM 1273 O ASP A 151 0.619 14.815 7.239 1.00 38.99 O ATOM 1274 CB ASP A 151 -0.195 14.419 4.048 1.00 38.27 C ATOM 1275 CG ASP A 151 -1.036 13.160 3.987 1.00 37.84 C ATOM 1276 OD1 ASP A 151 -2.157 13.171 4.534 1.00 38.17 O ATOM 1277 OD2 ASP A 151 -0.577 12.163 3.388 1.00 33.75 O ATOM 1278 H ASP A 151 1.094 16.639 5.664 1.00 0.00 H ATOM 1279 N PHE A 152 -1.370 13.805 6.911 1.00 40.02 N ATOM 1280 CA PHE A 152 -1.257 12.886 8.038 1.00 37.47 C ATOM 1281 C PHE A 152 -1.786 11.535 7.575 1.00 39.83 C ATOM 1282 O PHE A 152 -2.943 11.442 7.170 1.00 40.14 O ATOM 1283 CB PHE A 152 -2.036 13.393 9.253 1.00 37.11 C ATOM 1284 CG PHE A 152 -1.766 12.618 10.513 1.00 37.71 C ATOM 1285 CD1 PHE A 152 -0.551 12.737 11.166 1.00 36.45 C ATOM 1286 CD2 PHE A 152 -2.724 11.772 11.044 1.00 35.16 C ATOM 1287 CE1 PHE A 152 -0.293 12.024 12.321 1.00 31.80 C ATOM 1288 CE2 PHE A 152 -2.472 11.060 12.199 1.00 36.44 C ATOM 1289 CZ PHE A 152 -1.256 11.187 12.839 1.00 33.78 C ATOM 1290 H PHE A 152 -2.258 13.824 6.370 1.00 0.00 H ATOM 1291 N ASP A 153 -0.939 10.505 7.629 1.00 38.09 N ATOM 1292 CA ASP A 153 -1.227 9.199 7.025 1.00 33.78 C ATOM 1293 C ASP A 153 -2.614 8.668 7.372 1.00 36.63 C ATOM 1294 O ASP A 153 -2.873 8.298 8.516 1.00 42.00 O ATOM 1295 CB ASP A 153 -0.169 8.171 7.442 1.00 30.90 C ATOM 1296 CG ASP A 153 -0.433 6.788 6.857 1.00 35.70 C ATOM 1297 OD1 ASP A 153 -1.037 6.704 5.765 1.00 33.07 O ATOM 1298 OD2 ASP A 153 -0.042 5.784 7.490 1.00 41.58 O ATOM 1299 H ASP A 153 -0.033 10.634 8.122 1.00 0.00 H ATOM 1300 N PRO A 154 -3.512 8.637 6.374 1.00 31.38 N ATOM 1301 CA PRO A 154 -4.908 8.237 6.536 1.00 27.87 C ATOM 1302 C PRO A 154 -5.207 6.823 6.045 1.00 32.17 C ATOM 1303 O PRO A 154 -6.377 6.440 5.997 1.00 36.89 O ATOM 1304 CB PRO A 154 -5.639 9.261 5.672 1.00 32.52 C ATOM 1305 CG PRO A 154 -4.699 9.435 4.505 1.00 31.92 C ATOM 1306 CD PRO A 154 -3.288 9.230 5.043 1.00 30.84 C ATOM 1307 N SER A 155 -4.173 6.070 5.680 1.00 33.89 N ATOM 1308 CA SER A 155 -4.346 4.734 5.106 1.00 35.93 C ATOM 1309 C SER A 155 -5.027 3.765 6.072 1.00 37.42 C ATOM 1310 O SER A 155 -5.601 2.760 5.658 1.00 43.05 O ATOM 1311 CB SER A 155 -2.993 4.171 4.665 1.00 33.33 C ATOM 1312 OG SER A 155 -2.049 4.247 5.714 1.00 43.89 O ATOM 1313 HG SER A 155 -1.929 5.193 5.981 1.00 0.00 H ATOM 1314 H SER A 155 -3.210 6.442 5.806 1.00 0.00 H ATOM 1315 N ARG A 156 -4.945 4.075 7.361 1.00 34.08 N ATOM 1316 CA ARG A 156 -5.621 3.295 8.390 1.00 33.26 C ATOM 1317 C ARG A 156 -6.459 4.207 9.272 1.00 38.06 C ATOM 1318 O ARG A 156 -6.057 5.330 9.574 1.00 42.66 O ATOM 1319 CB ARG A 156 -4.610 2.529 9.242 1.00 33.22 C ATOM 1320 CG ARG A 156 -3.978 1.337 8.550 1.00 32.00 C ATOM 1321 CD ARG A 156 -2.659 0.964 9.210 1.00 34.70 C ATOM 1322 NE ARG A 156 -2.178 -0.356 8.808 1.00 41.63 N ATOM 1323 CZ ARG A 156 -1.583 -0.621 7.649 1.00 49.33 C ATOM 1324 NH1 ARG A 156 -1.406 0.341 6.754 1.00 56.28 N ATOM 1325 NH2 ARG A 156 -1.178 -1.854 7.378 1.00 50.56 N ATOM 1326 HE ARG A 156 -2.310 -1.143 9.475 1.00 0.00 H ATOM 1327 HH12 ARG A 156 -0.940 0.130 5.849 1.00 0.00 H ATOM 1328 HH11 ARG A 156 -1.733 1.307 6.957 1.00 0.00 H ATOM 1329 HH22 ARG A 156 -0.713 -2.061 6.471 1.00 0.00 H ATOM 1330 HH21 ARG A 156 -1.326 -2.614 8.072 1.00 0.00 H ATOM 1331 H ARG A 156 -4.380 4.901 7.645 1.00 0.00 H ATOM 1332 N ALA A 157 -7.629 3.726 9.679 1.00 37.58 N ATOM 1333 CA ALA A 157 -8.509 4.515 10.534 1.00 38.61 C ATOM 1334 C ALA A 157 -7.907 4.665 11.930 1.00 44.50 C ATOM 1335 O ALA A 157 -7.022 3.904 12.320 1.00 42.13 O ATOM 1336 CB ALA A 157 -9.887 3.884 10.611 1.00 39.14 C ATOM 1337 H ALA A 157 -7.922 2.773 9.384 1.00 0.00 H ATOM 1338 N MET A 158 -8.398 5.644 12.682 1.00 47.93 N ATOM 1339 CA MET A 158 -7.799 5.997 13.962 1.00 47.11 C ATOM 1340 C MET A 158 -8.773 6.822 14.803 1.00 50.74 C ATOM 1341 O MET A 158 -9.719 7.394 14.267 1.00 55.39 O ATOM 1342 CB MET A 158 -6.501 6.773 13.730 1.00 46.96 C ATOM 1343 CG MET A 158 -6.727 8.172 13.198 1.00 47.92 C ATOM 1344 SD MET A 158 -5.214 8.939 12.612 1.00 58.30 S ATOM 1345 CE MET A 158 -4.906 7.985 11.130 1.00 57.32 C ATOM 1346 H MET A 158 -9.230 6.171 12.349 1.00 0.00 H ATOM 1347 N PRO A 159 -8.551 6.886 16.126 1.00 50.16 N ATOM 1348 CA PRO A 159 -9.431 7.681 16.991 1.00 48.94 C ATOM 1349 C PRO A 159 -9.258 9.191 16.823 1.00 46.48 C ATOM 1350 O PRO A 159 -8.241 9.639 16.290 1.00 40.93 O ATOM 1351 CB PRO A 159 -9.012 7.250 18.399 1.00 44.27 C ATOM 1352 CG PRO A 159 -7.603 6.813 18.243 1.00 44.14 C ATOM 1353 CD PRO A 159 -7.554 6.136 16.911 1.00 49.47 C ATOM 1354 N ALA A 160 -10.263 9.948 17.264 1.00 46.81 N ATOM 1355 CA ALA A 160 -10.226 11.415 17.333 1.00 46.57 C ATOM 1356 C ALA A 160 -10.108 12.138 15.983 1.00 43.49 C ATOM 1357 O ALA A 160 -10.835 13.102 15.738 1.00 43.43 O ATOM 1358 CB ALA A 160 -9.095 11.861 18.257 1.00 44.08 C ATOM 1359 H ALA A 160 -11.130 9.468 17.580 1.00 0.00 H ATOM 1360 N TYR A 161 -9.202 11.694 15.114 1.00 38.38 N ATOM 1361 CA TYR A 161 -8.966 12.389 13.847 1.00 42.24 C ATOM 1362 C TYR A 161 -10.187 12.299 12.927 1.00 45.79 C ATOM 1363 O TYR A 161 -10.448 13.210 12.137 1.00 48.51 O ATOM 1364 CB TYR A 161 -7.719 11.829 13.152 1.00 40.35 C ATOM 1365 CG TYR A 161 -6.985 12.843 12.302 1.00 42.33 C ATOM 1366 CD1 TYR A 161 -6.635 14.086 12.817 1.00 45.71 C ATOM 1367 CD2 TYR A 161 -6.622 12.552 10.993 1.00 39.87 C ATOM 1368 CE1 TYR A 161 -5.958 15.017 12.045 1.00 46.18 C ATOM 1369 CE2 TYR A 161 -5.944 13.472 10.216 1.00 41.11 C ATOM 1370 CZ TYR A 161 -5.613 14.702 10.745 1.00 44.73 C ATOM 1371 OH TYR A 161 -4.940 15.619 9.969 1.00 43.22 O ATOM 1372 HH TYR A 161 -4.781 16.442 10.496 1.00 0.00 H ATOM 1373 H TYR A 161 -8.653 10.840 15.339 1.00 0.00 H ATOM 1374 N ASN A 162 -10.919 11.193 13.045 1.00 38.88 N ATOM 1375 CA ASN A 162 -12.225 11.008 12.408 1.00 40.51 C ATOM 1376 C ASN A 162 -12.326 11.470 10.950 1.00 41.38 C ATOM 1377 O ASN A 162 -11.667 10.923 10.071 1.00 41.01 O ATOM 1378 CB ASN A 162 -13.302 11.715 13.236 1.00 41.80 C ATOM 1379 CG ASN A 162 -13.427 11.146 14.636 1.00 48.41 C ATOM 1380 OD1 ASN A 162 -12.654 10.272 15.031 1.00 48.69 O ATOM 1381 ND2 ASN A 162 -14.400 11.641 15.396 1.00 53.50 N ATOM 1382 HD22 ASN A 162 -15.029 12.379 15.020 1.00 0.00 H ATOM 1383 HD21 ASN A 162 -14.531 11.290 16.366 1.00 0.00 H ATOM 1384 H ASN A 162 -10.542 10.415 13.623 1.00 0.00 H ATOM 1385 N TRP A 163 -13.158 12.478 10.706 1.00 38.94 N ATOM 1386 CA TRP A 163 -13.444 12.921 9.346 1.00 40.00 C ATOM 1387 C TRP A 163 -12.286 13.693 8.722 1.00 46.03 C ATOM 1388 O TRP A 163 -12.241 13.876 7.506 1.00 45.48 O ATOM 1389 CB TRP A 163 -14.717 13.774 9.317 1.00 43.99 C ATOM 1390 CG TRP A 163 -15.982 12.967 9.423 1.00 43.63 C ATOM 1391 CD1 TRP A 163 -16.717 12.737 10.548 1.00 44.33 C ATOM 1392 CD2 TRP A 163 -16.654 12.278 8.359 1.00 42.17 C ATOM 1393 NE1 TRP A 163 -17.806 11.951 10.253 1.00 45.83 N ATOM 1394 CE2 TRP A 163 -17.790 11.656 8.915 1.00 44.32 C ATOM 1395 CE3 TRP A 163 -16.405 12.127 6.992 1.00 42.02 C ATOM 1396 CZ2 TRP A 163 -18.677 10.897 8.150 1.00 43.35 C ATOM 1397 CZ3 TRP A 163 -17.286 11.373 6.235 1.00 40.85 C ATOM 1398 CH2 TRP A 163 -18.406 10.767 6.816 1.00 40.51 C ATOM 1399 HE1 TRP A 163 -18.524 11.632 10.934 1.00 0.00 H ATOM 1400 H TRP A 163 -13.616 12.962 11.504 1.00 0.00 H ATOM 1401 N MET A 164 -11.348 14.148 9.546 1.00 46.56 N ATOM 1402 CA MET A 164 -10.162 14.808 9.016 1.00 41.98 C ATOM 1403 C MET A 164 -9.305 13.782 8.283 1.00 38.98 C ATOM 1404 O MET A 164 -8.614 14.107 7.316 1.00 38.26 O ATOM 1405 CB MET A 164 -9.362 15.488 10.128 1.00 39.86 C ATOM 1406 CG MET A 164 -8.265 16.406 9.614 1.00 41.58 C ATOM 1407 SD MET A 164 -8.881 17.824 8.684 1.00 45.18 S ATOM 1408 CE MET A 164 -7.438 18.240 7.701 1.00 47.27 C ATOM 1409 H MET A 164 -11.461 14.033 10.573 1.00 0.00 H ATOM 1410 N THR A 165 -9.368 12.539 8.754 1.00 37.94 N ATOM 1411 CA THR A 165 -8.697 11.420 8.105 1.00 35.76 C ATOM 1412 C THR A 165 -9.226 11.245 6.687 1.00 39.31 C ATOM 1413 O THR A 165 -8.461 11.022 5.748 1.00 38.25 O ATOM 1414 CB THR A 165 -8.904 10.111 8.892 1.00 35.06 C ATOM 1415 OG1 THR A 165 -8.826 10.375 10.298 1.00 37.81 O ATOM 1416 CG2 THR A 165 -7.866 9.070 8.511 1.00 33.06 C ATOM 1417 HG1 THR A 165 -9.529 11.025 10.550 1.00 0.00 H ATOM 1418 H THR A 165 -9.917 12.359 9.619 1.00 0.00 H ATOM 1419 N VAL A 166 -10.544 11.351 6.544 1.00 40.47 N ATOM 1420 CA VAL A 166 -11.194 11.205 5.245 1.00 39.43 C ATOM 1421 C VAL A 166 -10.782 12.329 4.303 1.00 43.37 C ATOM 1422 O VAL A 166 -10.548 12.102 3.115 1.00 48.06 O ATOM 1423 CB VAL A 166 -12.728 11.191 5.380 1.00 35.33 C ATOM 1424 CG1 VAL A 166 -13.381 11.067 4.009 1.00 31.76 C ATOM 1425 CG2 VAL A 166 -13.168 10.059 6.298 1.00 31.16 C ATOM 1426 H VAL A 166 -11.129 11.544 7.382 1.00 0.00 H ATOM 1427 N ALA A 167 -10.688 13.538 4.846 1.00 42.32 N ATOM 1428 CA ALA A 167 -10.267 14.701 4.075 1.00 39.70 C ATOM 1429 C ALA A 167 -8.816 14.565 3.621 1.00 41.18 C ATOM 1430 O ALA A 167 -8.442 15.063 2.562 1.00 47.48 O ATOM 1431 CB ALA A 167 -10.451 15.968 4.888 1.00 36.91 C ATOM 1432 H ALA A 167 -10.922 13.658 5.852 1.00 0.00 H ATOM 1433 N LYS A 168 -8.001 13.893 4.428 1.00 43.30 N ATOM 1434 CA LYS A 168 -6.608 13.654 4.066 1.00 39.93 C ATOM 1435 C LYS A 168 -6.504 12.581 2.986 1.00 37.93 C ATOM 1436 O LYS A 168 -5.653 12.663 2.101 1.00 40.78 O ATOM 1437 CB LYS A 168 -5.791 13.256 5.296 1.00 31.33 C ATOM 1438 CG LYS A 168 -5.472 14.421 6.216 1.00 33.03 C ATOM 1439 CD LYS A 168 -4.714 15.511 5.467 1.00 32.95 C ATOM 1440 CE LYS A 168 -4.354 16.670 6.383 1.00 29.48 C ATOM 1441 NZ LYS A 168 -3.576 17.727 5.680 1.00 38.10 N ATOM 1442 HZ1 LYS A 168 -2.692 17.319 5.314 1.00 0.00 H ATOM 1443 HZ2 LYS A 168 -4.139 18.103 4.891 1.00 0.00 H ATOM 1444 HZ3 LYS A 168 -3.355 18.494 6.346 1.00 0.00 H ATOM 1445 H LYS A 168 -8.363 13.531 5.333 1.00 0.00 H ATOM 1446 N SER A 169 -7.373 11.578 3.063 1.00 35.56 N ATOM 1447 CA SER A 169 -7.441 10.551 2.031 1.00 34.31 C ATOM 1448 C SER A 169 -7.774 11.181 0.681 1.00 33.09 C ATOM 1449 O SER A 169 -7.168 10.848 -0.336 1.00 40.59 O ATOM 1450 CB SER A 169 -8.477 9.484 2.390 1.00 32.41 C ATOM 1451 OG SER A 169 -8.062 8.721 3.509 1.00 35.66 O ATOM 1452 HG SER A 169 -7.205 8.272 3.301 1.00 0.00 H ATOM 1453 H SER A 169 -8.018 11.525 3.877 1.00 0.00 H ATOM 1454 N ALA A 170 -8.736 12.100 0.684 1.00 29.60 N ATOM 1455 CA ALA A 170 -9.124 12.808 -0.529 1.00 32.80 C ATOM 1456 C ALA A 170 -7.976 13.666 -1.047 1.00 38.99 C ATOM 1457 O ALA A 170 -7.739 13.736 -2.256 1.00 40.39 O ATOM 1458 CB ALA A 170 -10.353 13.667 -0.276 1.00 34.53 C ATOM 1459 H ALA A 170 -9.224 12.319 1.576 1.00 0.00 H ATOM 1460 N LEU A 171 -7.269 14.313 -0.124 1.00 39.40 N ATOM 1461 CA LEU A 171 -6.129 15.161 -0.462 1.00 38.46 C ATOM 1462 C LEU A 171 -5.033 14.374 -1.170 1.00 38.91 C ATOM 1463 O LEU A 171 -4.448 14.850 -2.145 1.00 43.14 O ATOM 1464 CB LEU A 171 -5.567 15.821 0.797 1.00 37.87 C ATOM 1465 CG LEU A 171 -4.286 16.638 0.630 1.00 37.37 C ATOM 1466 CD1 LEU A 171 -4.499 17.800 -0.319 1.00 29.88 C ATOM 1467 CD2 LEU A 171 -3.815 17.135 1.980 1.00 39.86 C ATOM 1468 H LEU A 171 -7.538 14.211 0.875 1.00 0.00 H ATOM 1469 N GLU A 172 -4.760 13.171 -0.674 1.00 35.66 N ATOM 1470 CA GLU A 172 -3.773 12.292 -1.291 1.00 35.85 C ATOM 1471 C GLU A 172 -4.167 11.945 -2.719 1.00 37.49 C ATOM 1472 O GLU A 172 -3.317 11.846 -3.602 1.00 37.34 O ATOM 1473 CB GLU A 172 -3.602 11.008 -0.477 1.00 33.36 C ATOM 1474 CG GLU A 172 -2.895 11.193 0.847 1.00 34.94 C ATOM 1475 CD GLU A 172 -2.526 9.871 1.486 1.00 42.28 C ATOM 1476 OE1 GLU A 172 -3.072 8.832 1.057 1.00 44.44 O ATOM 1477 OE2 GLU A 172 -1.685 9.870 2.408 1.00 44.61 O ATOM 1478 H GLU A 172 -5.264 12.848 0.177 1.00 0.00 H ATOM 1479 N SER A 173 -5.464 11.754 -2.934 1.00 37.67 N ATOM 1480 CA SER A 173 -5.980 11.426 -4.255 1.00 37.99 C ATOM 1481 C SER A 173 -5.934 12.653 -5.159 1.00 43.85 C ATOM 1482 O SER A 173 -5.604 12.555 -6.340 1.00 47.81 O ATOM 1483 CB SER A 173 -7.406 10.888 -4.151 1.00 36.51 C ATOM 1484 OG SER A 173 -7.777 10.200 -5.327 1.00 38.38 O ATOM 1485 HG SER A 173 -8.703 9.863 -5.233 1.00 0.00 H ATOM 1486 H SER A 173 -6.128 11.841 -2.138 1.00 0.00 H ATOM 1487 N VAL A 174 -6.260 13.811 -4.592 1.00 46.56 N ATOM 1488 CA VAL A 174 -6.211 15.071 -5.329 1.00 42.99 C ATOM 1489 C VAL A 174 -4.785 15.379 -5.781 1.00 40.11 C ATOM 1490 O VAL A 174 -4.557 15.759 -6.929 1.00 40.86 O ATOM 1491 CB VAL A 174 -6.758 16.241 -4.479 1.00 37.17 C ATOM 1492 CG1 VAL A 174 -6.340 17.588 -5.061 1.00 38.87 C ATOM 1493 CG2 VAL A 174 -8.273 16.150 -4.370 1.00 34.93 C ATOM 1494 H VAL A 174 -6.558 13.820 -3.596 1.00 0.00 H ATOM 1495 N ASN A 175 -3.833 15.196 -4.871 1.00 38.45 N ATOM 1496 CA ASN A 175 -2.420 15.410 -5.161 1.00 37.70 C ATOM 1497 C ASN A 175 -1.943 14.635 -6.385 1.00 37.30 C ATOM 1498 O ASN A 175 -1.189 15.159 -7.206 1.00 42.72 O ATOM 1499 CB ASN A 175 -1.572 15.024 -3.950 1.00 35.47 C ATOM 1500 CG ASN A 175 -0.087 15.131 -4.223 1.00 40.43 C ATOM 1501 OD1 ASN A 175 0.377 16.097 -4.829 1.00 41.16 O ATOM 1502 ND2 ASN A 175 0.670 14.130 -3.783 1.00 39.42 N ATOM 1503 HD22 ASN A 175 0.235 13.333 -3.275 1.00 0.00 H ATOM 1504 HD21 ASN A 175 1.697 14.144 -3.947 1.00 0.00 H ATOM 1505 H ASN A 175 -4.107 14.888 -3.916 1.00 0.00 H ATOM 1506 N ARG A 176 -2.393 13.390 -6.506 1.00 30.98 N ATOM 1507 CA ARG A 176 -2.010 12.551 -7.634 1.00 32.46 C ATOM 1508 C ARG A 176 -2.530 13.114 -8.954 1.00 37.22 C ATOM 1509 O ARG A 176 -1.918 12.920 -10.003 1.00 45.02 O ATOM 1510 CB ARG A 176 -2.510 11.116 -7.436 1.00 30.88 C ATOM 1511 CG ARG A 176 -1.732 10.336 -6.388 1.00 35.18 C ATOM 1512 CD ARG A 176 -2.097 8.861 -6.398 1.00 34.73 C ATOM 1513 NE ARG A 176 -3.395 8.591 -5.787 1.00 35.36 N ATOM 1514 CZ ARG A 176 -3.576 8.370 -4.488 1.00 31.83 C ATOM 1515 NH1 ARG A 176 -2.542 8.401 -3.658 1.00 30.01 N ATOM 1516 NH2 ARG A 176 -4.790 8.121 -4.018 1.00 24.71 N ATOM 1517 HE ARG A 176 -4.230 8.570 -6.406 1.00 0.00 H ATOM 1518 HH12 ARG A 176 -2.685 8.228 -2.643 1.00 0.00 H ATOM 1519 HH11 ARG A 176 -1.588 8.598 -4.023 1.00 0.00 H ATOM 1520 HH22 ARG A 176 -4.929 7.949 -3.002 1.00 0.00 H ATOM 1521 HH21 ARG A 176 -5.604 8.098 -4.665 1.00 0.00 H ATOM 1522 H ARG A 176 -3.032 13.007 -5.780 1.00 0.00 H ATOM 1523 N PHE A 177 -3.654 13.820 -8.899 1.00 31.90 N ATOM 1524 CA PHE A 177 -4.225 14.415 -10.099 1.00 34.90 C ATOM 1525 C PHE A 177 -3.631 15.790 -10.380 1.00 42.49 C ATOM 1526 O PHE A 177 -3.501 16.195 -11.538 1.00 48.33 O ATOM 1527 CB PHE A 177 -5.745 14.502 -9.980 1.00 34.35 C ATOM 1528 CG PHE A 177 -6.443 13.211 -10.282 1.00 35.68 C ATOM 1529 CD1 PHE A 177 -6.699 12.290 -9.280 1.00 38.83 C ATOM 1530 CD2 PHE A 177 -6.828 12.910 -11.577 1.00 38.11 C ATOM 1531 CE1 PHE A 177 -7.337 11.096 -9.564 1.00 39.00 C ATOM 1532 CE2 PHE A 177 -7.466 11.722 -11.868 1.00 38.96 C ATOM 1533 CZ PHE A 177 -7.720 10.812 -10.861 1.00 39.04 C ATOM 1534 H PHE A 177 -4.133 13.950 -7.985 1.00 0.00 H ATOM 1535 N VAL A 178 -3.270 16.503 -9.317 1.00 39.70 N ATOM 1536 CA VAL A 178 -2.586 17.783 -9.450 1.00 42.34 C ATOM 1537 C VAL A 178 -1.240 17.569 -10.138 1.00 44.84 C ATOM 1538 O VAL A 178 -0.802 18.384 -10.956 1.00 47.87 O ATOM 1539 CB VAL A 178 -2.381 18.459 -8.075 1.00 41.59 C ATOM 1540 CG1 VAL A 178 -1.442 19.651 -8.185 1.00 40.20 C ATOM 1541 CG2 VAL A 178 -3.717 18.886 -7.495 1.00 42.72 C ATOM 1542 H VAL A 178 -3.481 16.138 -8.366 1.00 0.00 H ATOM 1543 N ALA A 179 -0.606 16.448 -9.811 1.00 42.71 N ATOM 1544 CA ALA A 179 0.679 16.076 -10.392 1.00 41.58 C ATOM 1545 C ALA A 179 0.589 15.915 -11.905 1.00 47.02 C ATOM 1546 O ALA A 179 1.522 16.266 -12.629 1.00 48.97 O ATOM 1547 CB ALA A 179 1.187 14.797 -9.760 1.00 31.38 C ATOM 1548 H ALA A 179 -1.043 15.811 -9.114 1.00 0.00 H ATOM 1549 N ARG A 180 -0.534 15.374 -12.372 1.00 45.65 N ATOM 1550 CA ARG A 180 -0.778 15.229 -13.803 1.00 46.97 C ATOM 1551 C ARG A 180 -0.814 16.596 -14.477 1.00 49.93 C ATOM 1552 O ARG A 180 -0.225 16.792 -15.541 1.00 57.33 O ATOM 1553 CB ARG A 180 -2.087 14.478 -14.058 1.00 42.91 C ATOM 1554 CG ARG A 180 -2.039 13.007 -13.676 1.00 43.13 C ATOM 1555 CD ARG A 180 -3.421 12.360 -13.709 1.00 44.12 C ATOM 1556 NE ARG A 180 -3.911 12.108 -15.062 1.00 46.87 N ATOM 1557 CZ ARG A 180 -3.703 10.978 -15.736 1.00 48.80 C ATOM 1558 NH1 ARG A 180 -3.001 9.994 -15.186 1.00 46.42 N ATOM 1559 NH2 ARG A 180 -4.193 10.831 -16.961 1.00 44.34 N ATOM 1560 HE ARG A 180 -4.458 12.859 -15.529 1.00 0.00 H ATOM 1561 HH12 ARG A 180 -2.840 9.112 -15.714 1.00 0.00 H ATOM 1562 HH11 ARG A 180 -2.613 10.105 -14.228 1.00 0.00 H ATOM 1563 HH22 ARG A 180 -4.029 9.947 -17.484 1.00 0.00 H ATOM 1564 HH21 ARG A 180 -4.741 11.599 -17.397 1.00 0.00 H ATOM 1565 H ARG A 180 -1.256 15.046 -11.699 1.00 0.00 H ATOM 1566 N GLU A 181 -1.504 17.539 -13.843 1.00 47.27 N ATOM 1567 CA GLU A 181 -1.613 18.893 -14.368 1.00 50.47 C ATOM 1568 C GLU A 181 -0.298 19.652 -14.223 1.00 50.61 C ATOM 1569 O GLU A 181 0.104 20.394 -15.119 1.00 54.14 O ATOM 1570 CB GLU A 181 -2.740 19.649 -13.659 1.00 52.80 C ATOM 1571 CG GLU A 181 -4.112 19.009 -13.818 1.00 54.68 C ATOM 1572 CD GLU A 181 -4.568 18.961 -15.265 1.00 61.84 C ATOM 1573 OE1 GLU A 181 -4.157 19.844 -16.050 1.00 63.02 O ATOM 1574 OE2 GLU A 181 -5.333 18.038 -15.619 1.00 65.21 O ATOM 1575 H GLU A 181 -1.979 17.303 -12.948 1.00 0.00 H ATOM 1576 N ALA A 182 0.371 19.457 -13.091 1.00 46.60 N ATOM 1577 CA ALA A 182 1.612 20.166 -12.806 1.00 45.37 C ATOM 1578 C ALA A 182 2.756 19.706 -13.709 1.00 49.02 C ATOM 1579 O ALA A 182 3.705 20.454 -13.945 1.00 56.29 O ATOM 1580 CB ALA A 182 1.991 19.993 -11.344 1.00 42.31 C ATOM 1581 H ALA A 182 -0.000 18.782 -12.392 1.00 0.00 H ATOM 1582 N GLY A 183 2.660 18.480 -14.216 1.00 44.55 N ATOM 1583 CA GLY A 183 3.702 17.920 -15.058 1.00 44.04 C ATOM 1584 C GLY A 183 3.855 18.653 -16.376 1.00 51.85 C ATOM 1585 O GLY A 183 4.944 18.700 -16.953 1.00 51.79 O ATOM 1586 H GLY A 183 1.818 17.908 -14.004 1.00 0.00 H ATOM 1587 N LYS A 184 2.756 19.229 -16.852 1.00 54.41 N ATOM 1588 CA LYS A 184 2.752 19.961 -18.112 1.00 53.81 C ATOM 1589 C LYS A 184 3.600 21.226 -18.010 1.00 56.61 C ATOM 1590 O LYS A 184 4.096 21.739 -19.016 1.00 56.63 O ATOM 1591 CB LYS A 184 1.319 20.311 -18.515 1.00 53.21 C ATOM 1592 CG LYS A 184 0.374 19.121 -18.519 1.00 55.22 C ATOM 1593 CD LYS A 184 -1.074 19.562 -18.685 1.00 59.04 C ATOM 1594 CE LYS A 184 -2.034 18.382 -18.586 1.00 61.24 C ATOM 1595 NZ LYS A 184 -3.460 18.800 -18.713 1.00 64.05 N ATOM 1596 HZ1 LYS A 184 -3.693 19.470 -17.952 1.00 0.00 H ATOM 1597 HZ2 LYS A 184 -3.605 19.257 -19.636 1.00 0.00 H ATOM 1598 HZ3 LYS A 184 -4.073 17.963 -18.639 1.00 0.00 H ATOM 1599 H LYS A 184 1.872 19.155 -16.309 1.00 0.00 H ATOM 1600 N TYR A 185 3.765 21.715 -16.784 1.00 55.15 N ATOM 1601 CA TYR A 185 4.548 22.918 -16.525 1.00 57.48 C ATOM 1602 C TYR A 185 5.972 22.579 -16.099 1.00 55.36 C ATOM 1603 O TYR A 185 6.808 23.466 -15.941 1.00 56.84 O ATOM 1604 CB TYR A 185 3.882 23.770 -15.442 1.00 57.91 C ATOM 1605 CG TYR A 185 2.515 24.306 -15.808 1.00 56.51 C ATOM 1606 CD1 TYR A 185 1.376 23.523 -15.653 1.00 54.14 C ATOM 1607 CD2 TYR A 185 2.360 25.601 -16.292 1.00 54.70 C ATOM 1608 CE1 TYR A 185 0.124 24.011 -15.979 1.00 53.74 C ATOM 1609 CE2 TYR A 185 1.111 26.096 -16.621 1.00 56.14 C ATOM 1610 CZ TYR A 185 -0.003 25.296 -16.461 1.00 55.69 C ATOM 1611 OH TYR A 185 -1.251 25.778 -16.783 1.00 58.66 O ATOM 1612 HH TYR A 185 -1.929 25.078 -16.608 1.00 0.00 H ATOM 1613 H TYR A 185 3.321 21.223 -15.983 1.00 0.00 H ATOM 1614 N GLY A 186 6.242 21.291 -15.912 1.00 49.29 N ATOM 1615 CA GLY A 186 7.525 20.850 -15.393 1.00 45.68 C ATOM 1616 C GLY A 186 7.572 20.998 -13.882 1.00 54.82 C ATOM 1617 O GLY A 186 8.641 21.140 -13.283 1.00 49.11 O ATOM 1618 H GLY A 186 5.517 20.582 -16.143 1.00 0.00 H ATOM 1619 N VAL A 187 6.395 20.961 -13.265 1.00 54.64 N ATOM 1620 CA VAL A 187 6.264 21.174 -11.831 1.00 51.80 C ATOM 1621 C VAL A 187 5.914 19.870 -11.118 1.00 50.96 C ATOM 1622 O VAL A 187 5.103 19.082 -11.607 1.00 50.82 O ATOM 1623 CB VAL A 187 5.190 22.241 -11.529 1.00 50.52 C ATOM 1624 CG1 VAL A 187 4.991 22.408 -10.031 1.00 46.00 C ATOM 1625 CG2 VAL A 187 5.571 23.565 -12.168 1.00 57.19 C ATOM 1626 H VAL A 187 5.539 20.774 -13.826 1.00 0.00 H ATOM 1627 N ARG A 188 6.550 19.641 -9.973 1.00 49.83 N ATOM 1628 CA ARG A 188 6.252 18.486 -9.138 1.00 45.12 C ATOM 1629 C ARG A 188 5.171 18.814 -8.115 1.00 45.28 C ATOM 1630 O ARG A 188 5.004 19.967 -7.721 1.00 47.61 O ATOM 1631 CB ARG A 188 7.515 18.001 -8.427 1.00 42.93 C ATOM 1632 CG ARG A 188 8.563 17.409 -9.353 1.00 43.20 C ATOM 1633 CD ARG A 188 9.917 17.330 -8.671 1.00 44.78 C ATOM 1634 NE ARG A 188 10.490 18.657 -8.465 1.00 54.23 N ATOM 1635 CZ ARG A 188 10.957 19.103 -7.305 1.00 57.16 C ATOM 1636 NH1 ARG A 188 10.929 18.327 -6.230 1.00 60.89 N ATOM 1637 NH2 ARG A 188 11.458 20.327 -7.221 1.00 64.39 N ATOM 1638 HE ARG A 188 10.535 19.297 -9.283 1.00 0.00 H ATOM 1639 HH12 ARG A 188 11.296 18.681 -5.324 1.00 0.00 H ATOM 1640 HH11 ARG A 188 10.540 17.365 -6.293 1.00 0.00 H ATOM 1641 HH22 ARG A 188 11.824 20.678 -6.313 1.00 0.00 H ATOM 1642 HH21 ARG A 188 11.485 20.937 -8.063 1.00 0.00 H ATOM 1643 H ARG A 188 7.285 20.309 -9.664 1.00 0.00 H ATOM 1644 N SER A 189 4.438 17.792 -7.691 1.00 44.61 N ATOM 1645 CA SER A 189 3.408 17.956 -6.672 1.00 42.00 C ATOM 1646 C SER A 189 3.483 16.807 -5.675 1.00 40.87 C ATOM 1647 O SER A 189 3.325 15.644 -6.048 1.00 40.44 O ATOM 1648 CB SER A 189 2.018 18.024 -7.312 1.00 42.12 C ATOM 1649 OG SER A 189 1.003 18.153 -6.331 1.00 39.53 O ATOM 1650 HG SER A 189 1.032 17.372 -5.723 1.00 0.00 H ATOM 1651 H SER A 189 4.603 16.849 -8.097 1.00 0.00 H ATOM 1652 N ASN A 190 3.737 17.133 -4.410 1.00 39.60 N ATOM 1653 CA ASN A 190 3.899 16.112 -3.376 1.00 37.65 C ATOM 1654 C ASN A 190 3.335 16.525 -2.025 1.00 39.25 C ATOM 1655 O ASN A 190 3.147 17.710 -1.752 1.00 40.05 O ATOM 1656 CB ASN A 190 5.376 15.752 -3.208 1.00 35.69 C ATOM 1657 CG ASN A 190 5.963 15.105 -4.448 1.00 40.77 C ATOM 1658 OD1 ASN A 190 5.758 13.916 -4.695 1.00 41.16 O ATOM 1659 ND2 ASN A 190 6.700 15.886 -5.236 1.00 38.18 N ATOM 1660 HD22 ASN A 190 6.846 16.885 -4.988 1.00 0.00 H ATOM 1661 HD21 ASN A 190 7.129 15.497 -6.100 1.00 0.00 H ATOM 1662 H ASN A 190 3.822 18.137 -4.151 1.00 0.00 H ATOM 1663 N LEU A 191 3.065 15.529 -1.185 1.00 37.84 N ATOM 1664 CA LEU A 191 2.631 15.765 0.189 1.00 34.73 C ATOM 1665 C LEU A 191 3.690 15.286 1.171 1.00 35.52 C ATOM 1666 O LEU A 191 4.398 14.314 0.905 1.00 34.39 O ATOM 1667 CB LEU A 191 1.309 15.050 0.481 1.00 33.74 C ATOM 1668 CG LEU A 191 0.115 15.336 -0.426 1.00 38.24 C ATOM 1669 CD1 LEU A 191 -1.007 14.371 -0.105 1.00 37.33 C ATOM 1670 CD2 LEU A 191 -0.349 16.777 -0.264 1.00 38.94 C ATOM 1671 H LEU A 191 3.167 14.549 -1.518 1.00 0.00 H ATOM 1672 N VAL A 192 3.798 15.973 2.303 1.00 37.02 N ATOM 1673 CA VAL A 192 4.625 15.495 3.401 1.00 33.87 C ATOM 1674 C VAL A 192 3.731 14.964 4.508 1.00 37.16 C ATOM 1675 O VAL A 192 3.028 15.728 5.172 1.00 39.44 O ATOM 1676 CB VAL A 192 5.536 16.593 3.974 1.00 36.56 C ATOM 1677 CG1 VAL A 192 6.277 16.071 5.195 1.00 31.22 C ATOM 1678 CG2 VAL A 192 6.516 17.077 2.921 1.00 40.49 C ATOM 1679 H VAL A 192 3.282 16.870 2.407 1.00 0.00 H ATOM 1680 N ALA A 193 3.742 13.648 4.687 1.00 35.42 N ATOM 1681 CA ALA A 193 2.995 13.032 5.772 1.00 31.41 C ATOM 1682 C ALA A 193 3.816 13.104 7.050 1.00 35.65 C ATOM 1683 O ALA A 193 4.810 12.395 7.201 1.00 41.41 O ATOM 1684 CB ALA A 193 2.640 11.595 5.436 1.00 29.13 C ATOM 1685 H ALA A 193 4.294 13.048 4.041 1.00 0.00 H ATOM 1686 N ALA A 194 3.405 13.977 7.962 1.00 32.64 N ATOM 1687 CA ALA A 194 4.136 14.182 9.206 1.00 36.09 C ATOM 1688 C ALA A 194 3.566 13.348 10.343 1.00 38.23 C ATOM 1689 O ALA A 194 2.404 12.943 10.313 1.00 36.48 O ATOM 1690 CB ALA A 194 4.126 15.655 9.590 1.00 35.03 C ATOM 1691 H ALA A 194 2.541 14.528 7.784 1.00 0.00 H ATOM 1692 N GLY A 195 4.395 13.089 11.348 1.00 37.57 N ATOM 1693 CA GLY A 195 3.914 12.478 12.570 1.00 36.50 C ATOM 1694 C GLY A 195 3.124 13.517 13.342 1.00 41.17 C ATOM 1695 O GLY A 195 3.061 14.679 12.932 1.00 42.84 O ATOM 1696 H GLY A 195 5.403 13.328 11.256 1.00 0.00 H ATOM 1697 N PRO A 196 2.518 13.109 14.464 1.00 39.49 N ATOM 1698 CA PRO A 196 1.696 14.017 15.267 1.00 41.50 C ATOM 1699 C PRO A 196 2.460 15.274 15.673 1.00 44.74 C ATOM 1700 O PRO A 196 3.585 15.181 16.162 1.00 45.22 O ATOM 1701 CB PRO A 196 1.328 13.171 16.492 1.00 45.37 C ATOM 1702 CG PRO A 196 2.314 12.043 16.505 1.00 43.99 C ATOM 1703 CD PRO A 196 2.611 11.773 15.072 1.00 38.86 C ATOM 1704 N ILE A 197 1.853 16.435 15.448 1.00 47.57 N ATOM 1705 CA ILE A 197 2.472 17.712 15.780 1.00 45.87 C ATOM 1706 C ILE A 197 1.561 18.533 16.682 1.00 53.34 C ATOM 1707 O ILE A 197 0.374 18.695 16.397 1.00 56.49 O ATOM 1708 CB ILE A 197 2.798 18.530 14.517 1.00 45.93 C ATOM 1709 CG1 ILE A 197 3.833 17.799 13.664 1.00 47.86 C ATOM 1710 CG2 ILE A 197 3.312 19.913 14.896 1.00 45.18 C ATOM 1711 CD1 ILE A 197 5.173 17.645 14.349 1.00 50.36 C ATOM 1712 H ILE A 197 0.905 16.432 15.021 1.00 0.00 H ATOM 1713 N ARG A 198 2.121 19.049 17.772 1.00 55.92 N ATOM 1714 CA ARG A 198 1.356 19.856 18.712 1.00 57.25 C ATOM 1715 C ARG A 198 1.187 21.292 18.232 1.00 60.79 C ATOM 1716 O ARG A 198 1.712 22.224 18.842 1.00 68.18 O ATOM 1717 CB ARG A 198 2.023 19.849 20.085 1.00 59.27 C ATOM 1718 CG ARG A 198 1.816 18.569 20.860 1.00 62.00 C ATOM 1719 CD ARG A 198 0.438 18.520 21.497 1.00 67.04 C ATOM 1720 NE ARG A 198 0.278 17.326 22.320 1.00 70.02 N ATOM 1721 CZ ARG A 198 0.751 17.202 23.557 1.00 71.51 C ATOM 1722 NH1 ARG A 198 1.417 18.201 24.121 1.00 78.67 N ATOM 1723 NH2 ARG A 198 0.560 16.077 24.230 1.00 70.57 N ATOM 1724 HE ARG A 198 -0.239 16.520 21.913 1.00 0.00 H ATOM 1725 HH12 ARG A 198 1.785 18.100 25.088 1.00 0.00 H ATOM 1726 HH11 ARG A 198 1.571 19.085 23.596 1.00 0.00 H ATOM 1727 HH22 ARG A 198 0.930 15.980 25.197 1.00 0.00 H ATOM 1728 HH21 ARG A 198 0.040 15.290 23.791 1.00 0.00 H ATOM 1729 H ARG A 198 3.129 18.872 17.957 1.00 0.00 H ATOM 1730 N THR A 199 0.459 21.465 17.135 1.00 55.15 N ATOM 1731 CA THR A 199 0.031 22.791 16.719 1.00 58.44 C ATOM 1732 C THR A 199 -1.006 23.272 17.723 1.00 60.75 C ATOM 1733 O THR A 199 -1.528 22.474 18.502 1.00 66.19 O ATOM 1734 CB THR A 199 -0.572 22.790 15.301 1.00 60.73 C ATOM 1735 OG1 THR A 199 -1.866 22.174 15.328 1.00 63.78 O ATOM 1736 CG2 THR A 199 0.327 22.032 14.336 1.00 56.60 C ATOM 1737 HG1 THR A 199 -2.250 22.175 14.415 1.00 0.00 H ATOM 1738 H THR A 199 0.190 20.638 16.564 1.00 0.00 H ATOM 1739 N LEU A 200 -1.309 24.565 17.714 1.00 63.08 N ATOM 1740 CA LEU A 200 -2.332 25.092 18.610 1.00 68.61 C ATOM 1741 C LEU A 200 -3.691 24.486 18.281 1.00 72.12 C ATOM 1742 O LEU A 200 -4.553 24.364 19.150 1.00 80.39 O ATOM 1743 CB LEU A 200 -2.395 26.618 18.531 1.00 73.90 C ATOM 1744 CG LEU A 200 -1.439 27.354 19.472 1.00 79.62 C ATOM 1745 CD1 LEU A 200 -1.604 28.859 19.340 1.00 85.40 C ATOM 1746 CD2 LEU A 200 -1.661 26.912 20.912 1.00 79.89 C ATOM 1747 H LEU A 200 -0.813 25.207 17.063 1.00 0.00 H ATOM 1748 N ALA A 201 -3.865 24.095 17.023 1.00 68.91 N ATOM 1749 CA ALA A 201 -5.091 23.447 16.576 1.00 63.82 C ATOM 1750 C ALA A 201 -5.278 22.091 17.251 1.00 67.05 C ATOM 1751 O ALA A 201 -6.346 21.800 17.790 1.00 73.31 O ATOM 1752 CB ALA A 201 -5.080 23.291 15.068 1.00 58.13 C ATOM 1753 H ALA A 201 -3.102 24.257 16.335 1.00 0.00 H ATOM 1754 N MET A 202 -4.235 21.265 17.223 1.00 61.54 N ATOM 1755 CA MET A 202 -4.289 19.947 17.849 1.00 60.13 C ATOM 1756 C MET A 202 -4.220 20.031 19.372 1.00 65.19 C ATOM 1757 O MET A 202 -4.827 19.218 20.073 1.00 70.29 O ATOM 1758 CB MET A 202 -3.158 19.055 17.330 1.00 54.43 C ATOM 1759 CG MET A 202 -3.273 18.679 15.859 1.00 54.34 C ATOM 1760 SD MET A 202 -4.868 17.956 15.409 1.00 60.25 S ATOM 1761 CE MET A 202 -5.034 16.653 16.628 1.00 43.64 C ATOM 1762 H MET A 202 -3.362 21.565 16.744 1.00 0.00 H ATOM 1763 N SER A 203 -3.474 21.010 19.879 1.00 64.08 N ATOM 1764 CA SER A 203 -3.363 21.224 21.319 1.00 68.16 C ATOM 1765 C SER A 203 -4.732 21.501 21.927 1.00 65.92 C ATOM 1766 O SER A 203 -5.013 21.104 23.056 1.00 66.07 O ATOM 1767 CB SER A 203 -2.404 22.379 21.629 1.00 73.86 C ATOM 1768 OG SER A 203 -1.065 22.044 21.302 1.00 75.49 O ATOM 1769 HG SER A 203 -1.005 21.836 20.336 1.00 0.00 H ATOM 1770 H SER A 203 -2.957 21.639 19.232 1.00 0.00 H ATOM 1771 N ALA A 204 -5.584 22.177 21.164 1.00 67.30 N ATOM 1772 CA ALA A 204 -6.934 22.492 21.615 1.00 70.10 C ATOM 1773 C ALA A 204 -7.800 21.240 21.695 1.00 74.27 C ATOM 1774 O ALA A 204 -8.584 21.073 22.632 1.00 74.12 O ATOM 1775 CB ALA A 204 -7.572 23.517 20.693 1.00 66.05 C ATOM 1776 H ALA A 204 -5.280 22.490 20.220 1.00 0.00 H ATOM 1777 N ILE A 205 -7.653 20.366 20.704 1.00 76.80 N ATOM 1778 CA ILE A 205 -8.431 19.136 20.638 1.00 76.22 C ATOM 1779 C ILE A 205 -8.096 18.208 21.802 1.00 79.84 C ATOM 1780 O ILE A 205 -8.990 17.609 22.404 1.00 84.75 O ATOM 1781 CB ILE A 205 -8.198 18.403 19.300 1.00 71.02 C ATOM 1782 CG1 ILE A 205 -8.622 19.301 18.135 1.00 73.95 C ATOM 1783 CG2 ILE A 205 -8.959 17.087 19.263 1.00 66.32 C ATOM 1784 CD1 ILE A 205 -8.523 18.642 16.780 1.00 70.74 C ATOM 1785 H ILE A 205 -6.962 20.566 19.953 1.00 0.00 H ATOM 1786 N VAL A 206 -6.807 18.108 22.123 1.00 77.99 N ATOM 1787 CA VAL A 206 -6.345 17.285 23.236 1.00 77.43 C ATOM 1788 C VAL A 206 -7.053 17.656 24.537 1.00 86.93 C ATOM 1789 O VAL A 206 -7.541 16.784 25.255 1.00 94.52 O ATOM 1790 CB VAL A 206 -4.820 17.408 23.433 1.00 71.63 C ATOM 1791 CG1 VAL A 206 -4.378 16.632 24.663 1.00 69.64 C ATOM 1792 CG2 VAL A 206 -4.082 16.918 22.192 1.00 65.18 C ATOM 1793 H VAL A 206 -6.107 18.634 21.562 1.00 0.00 H ATOM 1794 N GLY A 207 -7.125 18.952 24.826 1.00 88.11 N ATOM 1795 CA GLY A 207 -7.790 19.427 26.027 1.00 90.86 C ATOM 1796 C GLY A 207 -9.301 19.489 25.895 1.00 91.53 C ATOM 1797 O GLY A 207 -10.024 18.930 26.718 1.00 95.91 O ATOM 1798 H GLY A 207 -6.695 19.642 24.177 1.00 0.00 H ATOM 1799 N GLY A 208 -9.779 20.172 24.858 1.00 93.60 N ATOM 1800 CA GLY A 208 -11.206 20.335 24.639 1.00 97.65 C ATOM 1801 C GLY A 208 -11.923 19.023 24.382 1.00103.46 C ATOM 1802 O GLY A 208 -12.371 18.759 23.267 1.00108.28 O ATOM 1803 H GLY A 208 -9.112 20.601 24.185 1.00 0.00 H TER 1804 GLY A 208 ATOM 1805 N GLU A 213 -12.183 11.393 27.027 1.00 82.25 N ATOM 1806 CA GLU A 213 -11.715 10.099 26.543 1.00 83.21 C ATOM 1807 C GLU A 213 -10.828 10.250 25.312 1.00 96.43 C ATOM 1808 O GLU A 213 -9.793 9.595 25.200 1.00103.42 O ATOM 1809 CB GLU A 213 -12.899 9.185 26.224 1.00 80.94 C ATOM 1810 HN3 GLU A 213 -12.733 11.863 26.280 1.00 0.00 H ATOM 1811 HN2 GLU A 213 -11.365 11.983 27.280 1.00 0.00 H ATOM 1812 HN1 GLU A 213 -12.783 11.252 27.865 1.00 0.00 H ATOM 1813 N ALA A 214 -11.239 11.118 24.393 1.00108.59 N ATOM 1814 CA ALA A 214 -10.515 11.328 23.143 1.00108.75 C ATOM 1815 C ALA A 214 -9.111 11.881 23.375 1.00110.59 C ATOM 1816 O ALA A 214 -8.151 11.441 22.742 1.00108.65 O ATOM 1817 CB ALA A 214 -11.300 12.258 22.234 1.00108.29 C ATOM 1818 H ALA A 214 -12.105 11.666 24.570 1.00 0.00 H ATOM 1819 N GLY A 215 -8.998 12.847 24.282 1.00106.55 N ATOM 1820 CA GLY A 215 -7.717 13.456 24.599 1.00 99.84 C ATOM 1821 C GLY A 215 -6.716 12.457 25.149 1.00 89.72 C ATOM 1822 O GLY A 215 -5.516 12.551 24.885 1.00 82.18 O ATOM 1823 H GLY A 215 -9.851 13.176 24.779 1.00 0.00 H ATOM 1824 N ALA A 216 -7.217 11.497 25.920 1.00 90.08 N ATOM 1825 CA ALA A 216 -6.382 10.434 26.463 1.00 87.60 C ATOM 1826 C ALA A 216 -5.934 9.498 25.350 1.00 85.21 C ATOM 1827 O ALA A 216 -4.815 8.987 25.367 1.00 85.64 O ATOM 1828 CB ALA A 216 -7.130 9.663 27.539 1.00 89.11 C ATOM 1829 H ALA A 216 -8.233 11.505 26.142 1.00 0.00 H ATOM 1830 N GLN A 217 -6.816 9.282 24.380 1.00 85.55 N ATOM 1831 CA GLN A 217 -6.523 8.386 23.269 1.00 80.21 C ATOM 1832 C GLN A 217 -5.534 9.023 22.300 1.00 68.15 C ATOM 1833 O GLN A 217 -4.814 8.323 21.588 1.00 60.79 O ATOM 1834 CB GLN A 217 -7.806 7.998 22.535 1.00 85.00 C ATOM 1835 CG GLN A 217 -7.658 6.749 21.693 1.00 89.59 C ATOM 1836 CD GLN A 217 -8.335 5.538 22.301 1.00 96.25 C ATOM 1837 OE1 GLN A 217 -9.442 5.630 22.834 1.00101.08 O ATOM 1838 NE2 GLN A 217 -7.673 4.389 22.218 1.00 94.03 N ATOM 1839 HE22 GLN A 217 -6.740 4.358 21.759 1.00 0.00 H ATOM 1840 HE21 GLN A 217 -8.087 3.520 22.612 1.00 0.00 H ATOM 1841 H GLN A 217 -7.737 9.764 24.415 1.00 0.00 H ATOM 1842 N ILE A 218 -5.503 10.351 22.273 1.00 64.19 N ATOM 1843 CA ILE A 218 -4.506 11.067 21.488 1.00 63.33 C ATOM 1844 C ILE A 218 -3.126 10.871 22.114 1.00 62.41 C ATOM 1845 O ILE A 218 -2.143 10.625 21.414 1.00 61.17 O ATOM 1846 CB ILE A 218 -4.831 12.572 21.384 1.00 66.38 C ATOM 1847 CG1 ILE A 218 -6.123 12.781 20.591 1.00 66.67 C ATOM 1848 CG2 ILE A 218 -3.682 13.323 20.730 1.00 62.57 C ATOM 1849 CD1 ILE A 218 -6.395 14.222 20.227 1.00 65.16 C ATOM 1850 H ILE A 218 -6.203 10.889 22.822 1.00 0.00 H ATOM 1851 N GLN A 219 -3.069 10.965 23.439 1.00 69.54 N ATOM 1852 CA GLN A 219 -1.836 10.718 24.178 1.00 68.41 C ATOM 1853 C GLN A 219 -1.310 9.316 23.888 1.00 65.43 C ATOM 1854 O GLN A 219 -0.105 9.109 23.749 1.00 60.94 O ATOM 1855 CB GLN A 219 -2.062 10.900 25.681 1.00 72.66 C ATOM 1856 H GLN A 219 -3.929 11.222 23.964 1.00 0.00 H ATOM 1857 N LEU A 220 -2.227 8.361 23.785 1.00 62.20 N ATOM 1858 CA LEU A 220 -1.876 6.981 23.482 1.00 57.10 C ATOM 1859 C LEU A 220 -1.285 6.866 22.078 1.00 54.43 C ATOM 1860 O LEU A 220 -0.410 6.037 21.824 1.00 46.84 O ATOM 1861 CB LEU A 220 -3.104 6.083 23.622 1.00 63.47 C ATOM 1862 CG LEU A 220 -2.868 4.679 24.173 1.00 69.32 C ATOM 1863 CD1 LEU A 220 -2.040 4.751 25.444 1.00 76.16 C ATOM 1864 CD2 LEU A 220 -4.197 3.986 24.439 1.00 72.38 C ATOM 1865 H LEU A 220 -3.228 8.607 23.925 1.00 0.00 H ATOM 1866 N LEU A 221 -1.765 7.705 21.167 1.00 47.13 N ATOM 1867 CA LEU A 221 -1.242 7.722 19.808 1.00 46.20 C ATOM 1868 C LEU A 221 0.136 8.369 19.785 1.00 49.58 C ATOM 1869 O LEU A 221 1.038 7.911 19.084 1.00 51.55 O ATOM 1870 CB LEU A 221 -2.198 8.460 18.866 1.00 44.92 C ATOM 1871 CG LEU A 221 -1.770 8.562 17.398 1.00 45.72 C ATOM 1872 CD1 LEU A 221 -2.959 8.326 16.483 1.00 46.69 C ATOM 1873 CD2 LEU A 221 -1.127 9.914 17.100 1.00 45.68 C ATOM 1874 H LEU A 221 -2.528 8.361 21.429 1.00 0.00 H ATOM 1875 N GLU A 222 0.288 9.440 20.556 1.00 52.58 N ATOM 1876 CA GLU A 222 1.551 10.162 20.633 1.00 53.99 C ATOM 1877 C GLU A 222 2.647 9.290 21.234 1.00 54.26 C ATOM 1878 O GLU A 222 3.751 9.205 20.693 1.00 55.29 O ATOM 1879 CB GLU A 222 1.385 11.442 21.453 1.00 56.91 C ATOM 1880 CG GLU A 222 0.477 12.479 20.808 1.00 60.34 C ATOM 1881 CD GLU A 222 0.180 13.646 21.729 1.00 67.89 C ATOM 1882 OE1 GLU A 222 0.197 13.449 22.963 1.00 74.05 O ATOM 1883 OE2 GLU A 222 -0.062 14.761 21.220 1.00 74.36 O ATOM 1884 H GLU A 222 -0.519 9.773 21.122 1.00 0.00 H ATOM 1885 N GLU A 223 2.332 8.643 22.352 1.00 52.03 N ATOM 1886 CA GLU A 223 3.284 7.774 23.037 1.00 54.70 C ATOM 1887 C GLU A 223 3.712 6.612 22.148 1.00 53.86 C ATOM 1888 O GLU A 223 4.903 6.323 22.020 1.00 54.85 O ATOM 1889 CB GLU A 223 2.685 7.244 24.344 1.00 57.40 C ATOM 1890 CG GLU A 223 2.482 8.308 25.413 1.00 70.46 C ATOM 1891 CD GLU A 223 1.850 7.755 26.682 1.00 76.74 C ATOM 1892 OE1 GLU A 223 1.679 6.520 26.776 1.00 77.00 O ATOM 1893 OE2 GLU A 223 1.524 8.559 27.583 1.00 80.21 O ATOM 1894 H GLU A 223 1.378 8.760 22.751 1.00 0.00 H ATOM 1895 N GLY A 224 2.736 5.958 21.525 1.00 49.33 N ATOM 1896 CA GLY A 224 3.003 4.817 20.672 1.00 46.39 C ATOM 1897 C GLY A 224 3.828 5.179 19.454 1.00 51.70 C ATOM 1898 O GLY A 224 4.578 4.355 18.931 1.00 52.55 O ATOM 1899 H GLY A 224 1.754 6.274 21.653 1.00 0.00 H ATOM 1900 N TRP A 225 3.692 6.422 19.006 1.00 53.60 N ATOM 1901 CA TRP A 225 4.402 6.897 17.827 1.00 47.07 C ATOM 1902 C TRP A 225 5.911 6.974 18.063 1.00 51.00 C ATOM 1903 O TRP A 225 6.698 6.522 17.231 1.00 53.32 O ATOM 1904 CB TRP A 225 3.871 8.265 17.408 1.00 39.02 C ATOM 1905 CG TRP A 225 4.080 8.563 15.963 1.00 39.68 C ATOM 1906 CD1 TRP A 225 5.244 8.934 15.364 1.00 34.47 C ATOM 1907 CD2 TRP A 225 3.092 8.511 14.927 1.00 41.22 C ATOM 1908 NE1 TRP A 225 5.044 9.121 14.016 1.00 38.63 N ATOM 1909 CE2 TRP A 225 3.730 8.868 13.723 1.00 38.52 C ATOM 1910 CE3 TRP A 225 1.727 8.205 14.903 1.00 42.29 C ATOM 1911 CZ2 TRP A 225 3.053 8.926 12.508 1.00 43.34 C ATOM 1912 CZ3 TRP A 225 1.056 8.262 13.697 1.00 43.36 C ATOM 1913 CH2 TRP A 225 1.720 8.619 12.515 1.00 46.40 C ATOM 1914 HE1 TRP A 225 5.772 9.408 13.331 1.00 0.00 H ATOM 1915 H TRP A 225 3.060 7.075 19.512 1.00 0.00 H ATOM 1916 N ASP A 226 6.305 7.552 19.195 1.00 50.96 N ATOM 1917 CA ASP A 226 7.717 7.715 19.530 1.00 48.76 C ATOM 1918 C ASP A 226 8.409 6.371 19.740 1.00 47.42 C ATOM 1919 O ASP A 226 9.558 6.183 19.337 1.00 46.78 O ATOM 1920 CB ASP A 226 7.869 8.585 20.780 1.00 51.36 C ATOM 1921 CG ASP A 226 9.292 8.614 21.303 1.00 58.74 C ATOM 1922 OD1 ASP A 226 10.153 9.245 20.656 1.00 58.68 O ATOM 1923 OD2 ASP A 226 9.547 8.015 22.370 1.00 66.80 O ATOM 1924 H ASP A 226 5.585 7.898 19.861 1.00 0.00 H ATOM 1925 N GLN A 227 7.704 5.441 20.377 1.00 43.51 N ATOM 1926 CA GLN A 227 8.225 4.098 20.601 1.00 51.70 C ATOM 1927 C GLN A 227 8.444 3.379 19.273 1.00 50.97 C ATOM 1928 O GLN A 227 9.495 2.776 19.043 1.00 51.99 O ATOM 1929 CB GLN A 227 7.269 3.295 21.487 1.00 52.47 C ATOM 1930 CG GLN A 227 7.085 3.858 22.890 1.00 64.47 C ATOM 1931 CD GLN A 227 5.978 3.160 23.660 1.00 72.21 C ATOM 1932 OE1 GLN A 227 5.063 2.584 23.069 1.00 75.29 O ATOM 1933 NE2 GLN A 227 6.056 3.208 24.985 1.00 72.96 N ATOM 1934 HE22 GLN A 227 6.847 3.706 25.442 1.00 0.00 H ATOM 1935 HE21 GLN A 227 5.326 2.748 25.566 1.00 0.00 H ATOM 1936 H GLN A 227 6.753 5.678 20.726 1.00 0.00 H ATOM 1937 N ARG A 228 7.439 3.463 18.404 1.00 49.01 N ATOM 1938 CA ARG A 228 7.454 2.808 17.099 1.00 45.52 C ATOM 1939 C ARG A 228 8.547 3.365 16.190 1.00 44.17 C ATOM 1940 O ARG A 228 9.260 2.610 15.532 1.00 46.37 O ATOM 1941 CB ARG A 228 6.092 2.955 16.420 1.00 49.85 C ATOM 1942 CG ARG A 228 5.329 1.651 16.258 1.00 57.04 C ATOM 1943 CD ARG A 228 3.850 1.902 16.018 1.00 55.11 C ATOM 1944 NE ARG A 228 3.620 2.983 15.064 1.00 48.71 N ATOM 1945 CZ ARG A 228 2.699 3.927 15.226 1.00 48.03 C ATOM 1946 NH1 ARG A 228 1.926 3.922 16.301 1.00 52.71 N ATOM 1947 NH2 ARG A 228 2.551 4.877 14.317 1.00 46.12 N ATOM 1948 HE ARG A 228 4.211 3.016 14.209 1.00 0.00 H ATOM 1949 HH12 ARG A 228 1.205 4.661 16.427 1.00 0.00 H ATOM 1950 HH11 ARG A 228 2.039 3.179 17.020 1.00 0.00 H ATOM 1951 HH22 ARG A 228 1.829 5.614 14.448 1.00 0.00 H ATOM 1952 HH21 ARG A 228 3.157 4.887 13.472 1.00 0.00 H ATOM 1953 H ARG A 228 6.603 4.022 18.667 1.00 0.00 H ATOM 1954 N ALA A 229 8.670 4.688 16.160 1.00 43.01 N ATOM 1955 CA ALA A 229 9.688 5.357 15.357 1.00 42.17 C ATOM 1956 C ALA A 229 11.093 4.907 15.749 1.00 45.78 C ATOM 1957 O ALA A 229 11.542 5.183 16.857 1.00 58.03 O ATOM 1958 CB ALA A 229 9.554 6.863 15.494 1.00 40.61 C ATOM 1959 H ALA A 229 8.018 5.266 16.728 1.00 0.00 H ATOM 1960 N PRO A 230 11.791 4.212 14.832 1.00 42.13 N ATOM 1961 CA PRO A 230 13.159 3.730 15.070 1.00 44.48 C ATOM 1962 C PRO A 230 14.119 4.835 15.514 1.00 45.56 C ATOM 1963 O PRO A 230 15.033 4.564 16.293 1.00 46.27 O ATOM 1964 CB PRO A 230 13.573 3.175 13.706 1.00 43.25 C ATOM 1965 CG PRO A 230 12.286 2.768 13.074 1.00 37.29 C ATOM 1966 CD PRO A 230 11.295 3.803 13.505 1.00 40.80 C ATOM 1967 N ILE A 231 13.908 6.057 15.030 1.00 42.65 N ATOM 1968 CA ILE A 231 14.759 7.182 15.405 1.00 43.78 C ATOM 1969 C ILE A 231 14.029 8.143 16.342 1.00 46.02 C ATOM 1970 O ILE A 231 14.505 9.248 16.604 1.00 49.07 O ATOM 1971 CB ILE A 231 15.251 7.954 14.169 1.00 43.96 C ATOM 1972 CG1 ILE A 231 14.060 8.420 13.330 1.00 41.44 C ATOM 1973 CG2 ILE A 231 16.191 7.091 13.338 1.00 42.50 C ATOM 1974 CD1 ILE A 231 14.443 9.306 12.173 1.00 41.93 C ATOM 1975 H ILE A 231 13.119 6.214 14.370 1.00 0.00 H ATOM 1976 N GLY A 232 12.875 7.713 16.844 1.00 47.51 N ATOM 1977 CA GLY A 232 12.109 8.510 17.785 1.00 46.18 C ATOM 1978 C GLY A 232 11.281 9.588 17.112 1.00 49.96 C ATOM 1979 O GLY A 232 11.444 9.863 15.921 1.00 44.34 O ATOM 1980 H GLY A 232 12.512 6.782 16.555 1.00 0.00 H ATOM 1981 N TRP A 233 10.383 10.201 17.877 1.00 52.56 N ATOM 1982 CA TRP A 233 9.553 11.278 17.353 1.00 49.22 C ATOM 1983 C TRP A 233 9.193 12.290 18.431 1.00 49.36 C ATOM 1984 O TRP A 233 8.581 11.942 19.438 1.00 49.93 O ATOM 1985 CB TRP A 233 8.274 10.721 16.726 1.00 48.37 C ATOM 1986 CG TRP A 233 7.385 11.791 16.181 1.00 44.87 C ATOM 1987 CD1 TRP A 233 6.215 12.244 16.719 1.00 42.67 C ATOM 1988 CD2 TRP A 233 7.604 12.557 14.993 1.00 45.02 C ATOM 1989 NE1 TRP A 233 5.688 13.241 15.933 1.00 42.31 N ATOM 1990 CE2 TRP A 233 6.524 13.452 14.867 1.00 43.13 C ATOM 1991 CE3 TRP A 233 8.610 12.571 14.022 1.00 41.53 C ATOM 1992 CZ2 TRP A 233 6.425 14.355 13.811 1.00 42.98 C ATOM 1993 CZ3 TRP A 233 8.508 13.464 12.974 1.00 40.43 C ATOM 1994 CH2 TRP A 233 7.423 14.342 12.875 1.00 44.59 C ATOM 1995 HE1 TRP A 233 4.801 13.751 16.117 1.00 0.00 H ATOM 1996 H TRP A 233 10.271 9.906 18.868 1.00 0.00 H ATOM 1997 N ASN A 234 9.574 13.543 18.205 1.00 53.23 N ATOM 1998 CA ASN A 234 9.232 14.629 19.113 1.00 53.85 C ATOM 1999 C ASN A 234 8.100 15.471 18.539 1.00 54.81 C ATOM 2000 O ASN A 234 8.289 16.223 17.583 1.00 53.05 O ATOM 2001 CB ASN A 234 10.459 15.498 19.395 1.00 54.52 C ATOM 2002 CG ASN A 234 10.204 16.545 20.466 1.00 57.75 C ATOM 2003 OD1 ASN A 234 9.174 16.525 21.142 1.00 62.68 O ATOM 2004 ND2 ASN A 234 11.151 17.462 20.631 1.00 58.45 N ATOM 2005 HD22 ASN A 234 12.005 17.441 20.037 1.00 0.00 H ATOM 2006 HD21 ASN A 234 11.039 18.201 21.354 1.00 0.00 H ATOM 2007 H ASN A 234 10.133 13.754 17.354 1.00 0.00 H ATOM 2008 N MET A 235 6.919 15.335 19.134 1.00 54.63 N ATOM 2009 CA MET A 235 5.724 16.028 18.663 1.00 52.25 C ATOM 2010 C MET A 235 5.795 17.536 18.903 1.00 54.80 C ATOM 2011 O MET A 235 4.985 18.294 18.373 1.00 51.64 O ATOM 2012 CB MET A 235 4.486 15.452 19.353 1.00 53.82 C ATOM 2013 CG MET A 235 4.301 15.981 20.763 1.00 61.89 C ATOM 2014 SD MET A 235 3.290 14.918 21.806 1.00 98.58 S ATOM 2015 CE MET A 235 4.530 13.762 22.395 1.00106.59 C ATOM 2016 H MET A 235 6.844 14.713 19.964 1.00 0.00 H ATOM 2017 N LYS A 236 6.762 17.962 19.711 1.00 56.49 N ATOM 2018 CA LYS A 236 6.924 19.373 20.037 1.00 59.07 C ATOM 2019 C LYS A 236 7.899 20.072 19.089 1.00 56.56 C ATOM 2020 O LYS A 236 8.099 21.285 19.170 1.00 58.41 O ATOM 2021 CB LYS A 236 7.400 19.530 21.486 1.00 64.39 C ATOM 2022 CG LYS A 236 6.462 18.942 22.535 1.00 67.78 C ATOM 2023 CD LYS A 236 7.137 18.918 23.903 1.00 74.52 C ATOM 2024 CE LYS A 236 6.260 18.277 24.970 1.00 80.04 C ATOM 2025 NZ LYS A 236 5.119 19.150 25.363 1.00 84.72 N ATOM 2026 HZ1 LYS A 236 5.485 20.047 25.742 1.00 0.00 H ATOM 2027 HZ2 LYS A 236 4.527 19.340 24.530 1.00 0.00 H ATOM 2028 HZ3 LYS A 236 4.552 18.670 26.091 1.00 0.00 H ATOM 2029 H LYS A 236 7.420 17.269 20.121 1.00 0.00 H ATOM 2030 N ASP A 237 8.501 19.300 18.190 1.00 53.18 N ATOM 2031 CA ASP A 237 9.506 19.834 17.276 1.00 57.55 C ATOM 2032 C ASP A 237 9.080 19.692 15.821 1.00 55.50 C ATOM 2033 O ASP A 237 9.091 18.595 15.264 1.00 56.97 O ATOM 2034 CB ASP A 237 10.848 19.133 17.493 1.00 62.56 C ATOM 2035 CG ASP A 237 11.975 19.778 16.713 1.00 65.34 C ATOM 2036 OD1 ASP A 237 11.903 21.000 16.459 1.00 68.16 O ATOM 2037 OD2 ASP A 237 12.936 19.062 16.359 1.00 63.67 O ATOM 2038 H ASP A 237 8.250 18.292 18.137 1.00 0.00 H ATOM 2039 N ALA A 238 8.713 20.812 15.206 1.00 54.09 N ATOM 2040 CA ALA A 238 8.226 20.809 13.832 1.00 54.64 C ATOM 2041 C ALA A 238 9.362 20.911 12.817 1.00 54.91 C ATOM 2042 O ALA A 238 9.148 20.719 11.620 1.00 53.47 O ATOM 2043 CB ALA A 238 7.235 21.945 13.623 1.00 60.55 C ATOM 2044 H ALA A 238 8.775 21.715 15.719 1.00 0.00 H ATOM 2045 N THR A 239 10.564 21.208 13.301 1.00 54.48 N ATOM 2046 CA THR A 239 11.726 21.405 12.435 1.00 54.40 C ATOM 2047 C THR A 239 12.029 20.236 11.476 1.00 52.36 C ATOM 2048 O THR A 239 12.279 20.474 10.294 1.00 51.18 O ATOM 2049 CB THR A 239 12.981 21.710 13.280 1.00 54.70 C ATOM 2050 OG1 THR A 239 12.783 22.938 13.993 1.00 60.02 O ATOM 2051 CG2 THR A 239 14.210 21.839 12.393 1.00 51.47 C ATOM 2052 HG1 THR A 239 13.587 23.136 14.536 1.00 0.00 H ATOM 2053 H THR A 239 10.682 21.303 14.330 1.00 0.00 H ATOM 2054 N PRO A 240 12.002 18.976 11.963 1.00 49.31 N ATOM 2055 CA PRO A 240 12.266 17.889 11.008 1.00 48.00 C ATOM 2056 C PRO A 240 11.253 17.829 9.864 1.00 46.65 C ATOM 2057 O PRO A 240 11.587 17.397 8.761 1.00 47.66 O ATOM 2058 CB PRO A 240 12.171 16.628 11.876 1.00 46.49 C ATOM 2059 CG PRO A 240 12.462 17.093 13.246 1.00 46.41 C ATOM 2060 CD PRO A 240 11.865 18.460 13.338 1.00 46.38 C ATOM 2061 N VAL A 241 10.028 18.268 10.126 1.00 48.13 N ATOM 2062 CA VAL A 241 9.003 18.301 9.092 1.00 46.66 C ATOM 2063 C VAL A 241 9.285 19.430 8.102 1.00 48.44 C ATOM 2064 O VAL A 241 9.193 19.241 6.887 1.00 47.39 O ATOM 2065 CB VAL A 241 7.593 18.478 9.693 1.00 43.96 C ATOM 2066 CG1 VAL A 241 6.554 18.595 8.589 1.00 41.52 C ATOM 2067 CG2 VAL A 241 7.260 17.317 10.624 1.00 42.15 C ATOM 2068 H VAL A 241 9.796 18.594 11.086 1.00 0.00 H ATOM 2069 N ALA A 242 9.640 20.598 8.631 1.00 46.88 N ATOM 2070 CA ALA A 242 9.903 21.774 7.809 1.00 47.56 C ATOM 2071 C ALA A 242 11.068 21.540 6.854 1.00 49.46 C ATOM 2072 O ALA A 242 11.034 21.976 5.703 1.00 56.56 O ATOM 2073 CB ALA A 242 10.175 22.985 8.691 1.00 48.41 C ATOM 2074 H ALA A 242 9.733 20.675 9.664 1.00 0.00 H ATOM 2075 N LYS A 243 12.096 20.849 7.336 1.00 48.27 N ATOM 2076 CA LYS A 243 13.263 20.547 6.515 1.00 49.22 C ATOM 2077 C LYS A 243 12.891 19.573 5.397 1.00 47.95 C ATOM 2078 O LYS A 243 13.414 19.658 4.287 1.00 49.08 O ATOM 2079 CB LYS A 243 14.398 19.981 7.379 1.00 46.25 C ATOM 2080 CG LYS A 243 14.887 20.942 8.458 1.00 49.83 C ATOM 2081 CD LYS A 243 15.882 20.289 9.412 1.00 56.94 C ATOM 2082 CE LYS A 243 17.263 20.147 8.790 1.00 61.58 C ATOM 2083 NZ LYS A 243 18.271 19.677 9.786 1.00 68.70 N ATOM 2084 HZ1 LYS A 243 18.331 20.362 10.566 1.00 0.00 H ATOM 2085 HZ2 LYS A 243 17.982 18.750 10.159 1.00 0.00 H ATOM 2086 HZ3 LYS A 243 19.199 19.593 9.325 1.00 0.00 H ATOM 2087 H LYS A 243 12.068 20.516 8.321 1.00 0.00 H ATOM 2088 N THR A 244 11.976 18.656 5.696 1.00 46.79 N ATOM 2089 CA THR A 244 11.490 17.704 4.705 1.00 45.54 C ATOM 2090 C THR A 244 10.753 18.425 3.583 1.00 47.37 C ATOM 2091 O THR A 244 10.923 18.105 2.405 1.00 49.39 O ATOM 2092 CB THR A 244 10.560 16.663 5.342 1.00 41.31 C ATOM 2093 OG1 THR A 244 11.266 15.965 6.373 1.00 46.66 O ATOM 2094 CG2 THR A 244 10.071 15.667 4.301 1.00 33.28 C ATOM 2095 HG1 THR A 244 11.564 16.610 7.063 1.00 0.00 H ATOM 2096 H THR A 244 11.597 18.617 6.664 1.00 0.00 H ATOM 2097 N VAL A 245 9.936 19.403 3.958 1.00 45.15 N ATOM 2098 CA VAL A 245 9.221 20.217 2.987 1.00 45.09 C ATOM 2099 C VAL A 245 10.203 20.999 2.123 1.00 47.01 C ATOM 2100 O VAL A 245 10.034 21.091 0.909 1.00 53.67 O ATOM 2101 CB VAL A 245 8.241 21.193 3.676 1.00 46.95 C ATOM 2102 CG1 VAL A 245 7.678 22.190 2.673 1.00 46.51 C ATOM 2103 CG2 VAL A 245 7.118 20.423 4.361 1.00 43.42 C ATOM 2104 H VAL A 245 9.804 19.592 4.972 1.00 0.00 H ATOM 2105 N CYS A 246 11.239 21.547 2.750 1.00 46.28 N ATOM 2106 CA CYS A 246 12.251 22.300 2.017 1.00 46.17 C ATOM 2107 C CYS A 246 13.047 21.396 1.081 1.00 47.03 C ATOM 2108 O CYS A 246 13.487 21.826 0.016 1.00 49.11 O ATOM 2109 CB CYS A 246 13.191 23.023 2.983 1.00 47.46 C ATOM 2110 SG CYS A 246 12.414 24.388 3.868 1.00 56.27 S ATOM 2111 H CYS A 246 11.330 21.437 3.780 1.00 0.00 H ATOM 2112 N ALA A 247 13.225 20.142 1.482 1.00 44.88 N ATOM 2113 CA ALA A 247 13.894 19.164 0.636 1.00 45.10 C ATOM 2114 C ALA A 247 13.114 18.973 -0.661 1.00 49.67 C ATOM 2115 O ALA A 247 13.692 18.940 -1.747 1.00 50.42 O ATOM 2116 CB ALA A 247 14.049 17.840 1.367 1.00 40.17 C ATOM 2117 H ALA A 247 12.879 19.853 2.419 1.00 0.00 H ATOM 2118 N LEU A 248 11.795 18.861 -0.537 1.00 48.08 N ATOM 2119 CA LEU A 248 10.926 18.702 -1.698 1.00 44.10 C ATOM 2120 C LEU A 248 10.855 19.976 -2.535 1.00 46.45 C ATOM 2121 O LEU A 248 10.559 19.925 -3.728 1.00 49.52 O ATOM 2122 CB LEU A 248 9.524 18.285 -1.255 1.00 41.36 C ATOM 2123 CG LEU A 248 9.339 16.796 -0.963 1.00 43.29 C ATOM 2124 CD1 LEU A 248 8.013 16.552 -0.267 1.00 43.18 C ATOM 2125 CD2 LEU A 248 9.419 15.985 -2.252 1.00 38.03 C ATOM 2126 H LEU A 248 11.372 18.887 0.413 1.00 0.00 H ATOM 2127 N LEU A 249 11.130 21.115 -1.908 1.00 44.04 N ATOM 2128 CA LEU A 249 11.111 22.396 -2.606 1.00 46.22 C ATOM 2129 C LEU A 249 12.386 22.607 -3.415 1.00 49.39 C ATOM 2130 O LEU A 249 12.416 23.404 -4.354 1.00 54.40 O ATOM 2131 CB LEU A 249 10.925 23.545 -1.614 1.00 47.40 C ATOM 2132 CG LEU A 249 9.543 23.701 -0.973 1.00 49.66 C ATOM 2133 CD1 LEU A 249 9.557 24.830 0.048 1.00 47.58 C ATOM 2134 CD2 LEU A 249 8.472 23.941 -2.025 1.00 38.90 C ATOM 2135 H LEU A 249 11.364 21.093 -0.895 1.00 0.00 H ATOM 2136 N SER A 250 13.440 21.887 -3.045 1.00 48.22 N ATOM 2137 CA SER A 250 14.724 22.013 -3.723 1.00 52.22 C ATOM 2138 C SER A 250 14.790 21.164 -4.987 1.00 58.77 C ATOM 2139 O SER A 250 13.777 20.652 -5.462 1.00 60.46 O ATOM 2140 CB SER A 250 15.865 21.620 -2.786 1.00 52.51 C ATOM 2141 OG SER A 250 15.817 20.237 -2.489 1.00 51.09 O ATOM 2142 HG SER A 250 14.955 20.025 -2.050 1.00 0.00 H ATOM 2143 H SER A 250 13.346 21.219 -2.254 1.00 0.00 H ATOM 2144 N ASP A 251 15.999 21.015 -5.519 1.00 62.39 N ATOM 2145 CA ASP A 251 16.219 20.280 -6.758 1.00 66.28 C ATOM 2146 C ASP A 251 16.779 18.890 -6.497 1.00 61.95 C ATOM 2147 O ASP A 251 17.349 18.270 -7.393 1.00 67.17 O ATOM 2148 CB ASP A 251 17.178 21.050 -7.671 1.00 74.58 C ATOM 2149 CG ASP A 251 16.690 22.450 -7.982 1.00 75.04 C ATOM 2150 OD1 ASP A 251 15.522 22.589 -8.402 1.00 80.29 O ATOM 2151 OD2 ASP A 251 17.472 23.408 -7.800 1.00 73.19 O ATOM 2152 H ASP A 251 16.816 21.438 -5.034 1.00 0.00 H ATOM 2153 N TRP A 252 16.613 18.400 -5.272 1.00 53.69 N ATOM 2154 CA TRP A 252 17.277 17.165 -4.867 1.00 49.93 C ATOM 2155 C TRP A 252 16.335 15.977 -4.771 1.00 47.54 C ATOM 2156 O TRP A 252 16.755 14.865 -4.459 1.00 51.20 O ATOM 2157 CB TRP A 252 18.005 17.388 -3.544 1.00 47.92 C ATOM 2158 CG TRP A 252 19.157 18.303 -3.735 1.00 48.00 C ATOM 2159 CD1 TRP A 252 19.218 19.629 -3.424 1.00 51.25 C ATOM 2160 CD2 TRP A 252 20.410 17.972 -4.340 1.00 51.91 C ATOM 2161 NE1 TRP A 252 20.445 20.141 -3.780 1.00 57.38 N ATOM 2162 CE2 TRP A 252 21.194 19.143 -4.345 1.00 54.17 C ATOM 2163 CE3 TRP A 252 20.950 16.795 -4.867 1.00 49.97 C ATOM 2164 CZ2 TRP A 252 22.490 19.170 -4.856 1.00 55.93 C ATOM 2165 CZ3 TRP A 252 22.233 16.824 -5.375 1.00 53.61 C ATOM 2166 CH2 TRP A 252 22.989 18.002 -5.367 1.00 57.69 C ATOM 2167 HE1 TRP A 252 20.753 21.125 -3.642 1.00 0.00 H ATOM 2168 H TRP A 252 16.004 18.902 -4.595 1.00 0.00 H ATOM 2169 N LEU A 253 15.062 16.220 -5.051 1.00 47.74 N ATOM 2170 CA LEU A 253 14.116 15.140 -5.303 1.00 48.19 C ATOM 2171 C LEU A 253 13.382 15.424 -6.614 1.00 49.14 C ATOM 2172 O LEU A 253 12.167 15.602 -6.620 1.00 50.77 O ATOM 2173 CB LEU A 253 13.136 14.993 -4.137 1.00 45.67 C ATOM 2174 CG LEU A 253 13.739 14.595 -2.785 1.00 43.69 C ATOM 2175 CD1 LEU A 253 12.725 14.753 -1.671 1.00 40.82 C ATOM 2176 CD2 LEU A 253 14.254 13.164 -2.821 1.00 43.78 C ATOM 2177 H LEU A 253 14.730 17.205 -5.092 1.00 0.00 H ATOM 2178 N PRO A 254 14.130 15.466 -7.734 1.00 47.10 N ATOM 2179 CA PRO A 254 13.601 15.956 -9.012 1.00 46.71 C ATOM 2180 C PRO A 254 12.817 14.917 -9.803 1.00 47.48 C ATOM 2181 O PRO A 254 12.225 15.260 -10.826 1.00 52.87 O ATOM 2182 CB PRO A 254 14.868 16.350 -9.771 1.00 45.36 C ATOM 2183 CG PRO A 254 15.867 15.351 -9.303 1.00 46.25 C ATOM 2184 CD PRO A 254 15.523 15.000 -7.879 1.00 45.26 C ATOM 2185 N ALA A 255 12.813 13.671 -9.343 1.00 42.22 N ATOM 2186 CA ALA A 255 12.100 12.608 -10.047 1.00 42.89 C ATOM 2187 C ALA A 255 10.929 12.091 -9.221 1.00 38.94 C ATOM 2188 O ALA A 255 10.430 10.989 -9.455 1.00 38.12 O ATOM 2189 CB ALA A 255 13.049 11.467 -10.395 1.00 36.92 C ATOM 2190 H ALA A 255 13.326 13.448 -8.466 1.00 0.00 H ATOM 2191 N THR A 256 10.492 12.898 -8.258 1.00 36.84 N ATOM 2192 CA THR A 256 9.412 12.519 -7.355 1.00 32.36 C ATOM 2193 C THR A 256 8.209 13.451 -7.491 1.00 37.72 C ATOM 2194 O THR A 256 8.321 14.657 -7.269 1.00 41.20 O ATOM 2195 CB THR A 256 9.888 12.524 -5.888 1.00 32.45 C ATOM 2196 OG1 THR A 256 10.982 11.610 -5.732 1.00 34.27 O ATOM 2197 CG2 THR A 256 8.757 12.122 -4.950 1.00 32.13 C ATOM 2198 HG1 THR A 256 11.728 11.887 -6.321 1.00 0.00 H ATOM 2199 H THR A 256 10.936 13.832 -8.145 1.00 0.00 H ATOM 2200 N THR A 257 7.057 12.891 -7.851 1.00 37.97 N ATOM 2201 CA THR A 257 5.838 13.684 -7.972 1.00 39.08 C ATOM 2202 C THR A 257 4.587 12.820 -7.815 1.00 36.05 C ATOM 2203 O THR A 257 4.622 11.608 -8.035 1.00 34.06 O ATOM 2204 CB THR A 257 5.777 14.433 -9.322 1.00 40.93 C ATOM 2205 OG1 THR A 257 4.702 15.379 -9.292 1.00 42.65 O ATOM 2206 CG2 THR A 257 5.567 13.462 -10.480 1.00 39.64 C ATOM 2207 HG1 THR A 257 4.662 15.859 -10.157 1.00 0.00 H ATOM 2208 H THR A 257 7.025 11.871 -8.050 1.00 0.00 H ATOM 2209 N GLY A 258 3.485 13.456 -7.423 1.00 37.81 N ATOM 2210 CA GLY A 258 2.250 12.751 -7.126 1.00 36.72 C ATOM 2211 C GLY A 258 2.408 11.834 -5.930 1.00 37.19 C ATOM 2212 O GLY A 258 1.597 10.935 -5.707 1.00 38.77 O ATOM 2213 H GLY A 258 3.509 14.491 -7.326 1.00 0.00 H ATOM 2214 N ASP A 259 3.451 12.082 -5.146 1.00 31.34 N ATOM 2215 CA ASP A 259 3.877 11.135 -4.134 1.00 34.47 C ATOM 2216 C ASP A 259 3.785 11.706 -2.726 1.00 38.84 C ATOM 2217 O ASP A 259 3.479 12.883 -2.531 1.00 45.13 O ATOM 2218 CB ASP A 259 5.310 10.683 -4.419 1.00 33.53 C ATOM 2219 CG ASP A 259 5.558 9.248 -4.017 1.00 37.94 C ATOM 2220 OD1 ASP A 259 4.815 8.734 -3.154 1.00 42.98 O ATOM 2221 OD2 ASP A 259 6.491 8.632 -4.571 1.00 42.23 O ATOM 2222 H ASP A 259 3.973 12.974 -5.260 1.00 0.00 H ATOM 2223 N ILE A 260 4.057 10.853 -1.747 1.00 35.49 N ATOM 2224 CA ILE A 260 4.029 11.248 -0.350 1.00 35.73 C ATOM 2225 C ILE A 260 5.368 10.948 0.312 1.00 37.76 C ATOM 2226 O ILE A 260 5.882 9.835 0.213 1.00 38.86 O ATOM 2227 CB ILE A 260 2.912 10.517 0.414 1.00 31.20 C ATOM 2228 CG1 ILE A 260 1.593 10.622 -0.354 1.00 31.92 C ATOM 2229 CG2 ILE A 260 2.773 11.078 1.819 1.00 29.97 C ATOM 2230 CD1 ILE A 260 0.565 9.605 0.063 1.00 24.60 C ATOM 2231 H ILE A 260 4.298 9.870 -1.988 1.00 0.00 H ATOM 2232 N ILE A 261 5.934 11.948 0.976 1.00 36.45 N ATOM 2233 CA ILE A 261 7.151 11.750 1.750 1.00 36.65 C ATOM 2234 C ILE A 261 6.820 11.714 3.237 1.00 37.74 C ATOM 2235 O ILE A 261 6.239 12.655 3.781 1.00 37.01 O ATOM 2236 CB ILE A 261 8.184 12.852 1.478 1.00 37.07 C ATOM 2237 CG1 ILE A 261 8.505 12.912 -0.015 1.00 40.96 C ATOM 2238 CG2 ILE A 261 9.450 12.609 2.286 1.00 35.16 C ATOM 2239 CD1 ILE A 261 9.169 11.662 -0.545 1.00 42.00 C ATOM 2240 H ILE A 261 5.499 12.892 0.943 1.00 0.00 H ATOM 2241 N TYR A 262 7.191 10.621 3.890 1.00 38.21 N ATOM 2242 CA TYR A 262 6.836 10.416 5.286 1.00 35.05 C ATOM 2243 C TYR A 262 7.910 10.936 6.231 1.00 36.63 C ATOM 2244 O TYR A 262 8.999 10.369 6.322 1.00 39.48 O ATOM 2245 CB TYR A 262 6.569 8.933 5.548 1.00 30.86 C ATOM 2246 CG TYR A 262 5.366 8.412 4.799 1.00 37.15 C ATOM 2247 CD1 TYR A 262 5.472 7.993 3.480 1.00 36.70 C ATOM 2248 CD2 TYR A 262 4.119 8.352 5.407 1.00 37.27 C ATOM 2249 CE1 TYR A 262 4.370 7.525 2.789 1.00 34.18 C ATOM 2250 CE2 TYR A 262 3.011 7.885 4.725 1.00 35.75 C ATOM 2251 CZ TYR A 262 3.143 7.474 3.415 1.00 34.17 C ATOM 2252 OH TYR A 262 2.043 7.010 2.732 1.00 29.22 O ATOM 2253 HH TYR A 262 1.355 7.721 2.695 1.00 0.00 H ATOM 2254 H TYR A 262 7.747 9.895 3.394 1.00 0.00 H ATOM 2255 N ALA A 263 7.598 12.030 6.919 1.00 33.87 N ATOM 2256 CA ALA A 263 8.462 12.555 7.969 1.00 35.18 C ATOM 2257 C ALA A 263 7.837 12.243 9.325 1.00 40.74 C ATOM 2258 O ALA A 263 7.295 13.125 9.994 1.00 42.83 O ATOM 2259 CB ALA A 263 8.675 14.051 7.798 1.00 33.60 C ATOM 2260 H ALA A 263 6.710 12.526 6.701 1.00 0.00 H ATOM 2261 N ASP A 264 7.913 10.978 9.721 1.00 39.39 N ATOM 2262 CA ASP A 264 7.193 10.497 10.890 1.00 38.06 C ATOM 2263 C ASP A 264 8.092 9.706 11.831 1.00 38.43 C ATOM 2264 O ASP A 264 7.608 8.974 12.692 1.00 40.93 O ATOM 2265 CB ASP A 264 6.014 9.626 10.453 1.00 37.07 C ATOM 2266 CG ASP A 264 6.460 8.365 9.734 1.00 41.51 C ATOM 2267 OD1 ASP A 264 7.599 8.345 9.221 1.00 40.66 O ATOM 2268 OD2 ASP A 264 5.674 7.395 9.682 1.00 43.03 O ATOM 2269 H ASP A 264 8.503 10.313 9.181 1.00 0.00 H ATOM 2270 N GLY A 265 9.401 9.842 11.656 1.00 38.65 N ATOM 2271 CA GLY A 265 10.349 9.088 12.454 1.00 33.15 C ATOM 2272 C GLY A 265 10.424 7.637 12.017 1.00 37.13 C ATOM 2273 O GLY A 265 11.109 6.829 12.642 1.00 39.49 O ATOM 2274 H GLY A 265 9.753 10.502 10.933 1.00 0.00 H ATOM 2275 N GLY A 266 9.717 7.310 10.939 1.00 31.39 N ATOM 2276 CA GLY A 266 9.711 5.961 10.404 1.00 31.24 C ATOM 2277 C GLY A 266 8.645 5.085 11.031 1.00 40.93 C ATOM 2278 O GLY A 266 8.685 3.861 10.911 1.00 45.16 O ATOM 2279 H GLY A 266 9.151 8.043 10.465 1.00 0.00 H ATOM 2280 N ALA A 267 7.680 5.716 11.692 1.00 39.14 N ATOM 2281 CA ALA A 267 6.650 4.993 12.431 1.00 37.83 C ATOM 2282 C ALA A 267 5.723 4.184 11.527 1.00 37.16 C ATOM 2283 O ALA A 267 5.307 3.085 11.888 1.00 43.39 O ATOM 2284 CB ALA A 267 5.837 5.959 13.272 1.00 32.45 C ATOM 2285 H ALA A 267 7.658 6.756 11.682 1.00 0.00 H ATOM 2286 N HIS A 268 5.402 4.720 10.353 1.00 30.95 N ATOM 2287 CA HIS A 268 4.448 4.059 9.470 1.00 31.68 C ATOM 2288 C HIS A 268 5.009 2.766 8.875 1.00 35.18 C ATOM 2289 O HIS A 268 4.269 1.973 8.293 1.00 36.52 O ATOM 2290 CB HIS A 268 4.002 5.008 8.353 1.00 32.11 C ATOM 2291 CG HIS A 268 4.975 5.119 7.218 1.00 38.25 C ATOM 2292 ND1 HIS A 268 4.737 4.557 5.981 1.00 35.96 N ATOM 2293 CD2 HIS A 268 6.175 5.738 7.125 1.00 40.02 C ATOM 2294 CE1 HIS A 268 5.753 4.819 5.178 1.00 36.19 C ATOM 2295 NE2 HIS A 268 6.640 5.536 5.848 1.00 37.17 N ATOM 2296 H HIS A 268 5.836 5.619 10.062 1.00 0.00 H ATOM 2297 N THR A 269 6.312 2.555 9.032 1.00 36.46 N ATOM 2298 CA THR A 269 6.963 1.343 8.545 1.00 32.83 C ATOM 2299 C THR A 269 7.090 0.305 9.655 1.00 32.84 C ATOM 2300 O THR A 269 7.563 -0.809 9.429 1.00 33.95 O ATOM 2301 CB THR A 269 8.361 1.647 7.983 1.00 34.86 C ATOM 2302 OG1 THR A 269 9.260 1.938 9.061 1.00 39.20 O ATOM 2303 CG2 THR A 269 8.302 2.840 7.040 1.00 31.65 C ATOM 2304 HG1 THR A 269 8.928 2.724 9.563 1.00 0.00 H ATOM 2305 H THR A 269 6.885 3.275 9.516 1.00 0.00 H ATOM 2306 N GLN A 270 6.674 0.679 10.860 1.00 33.39 N ATOM 2307 CA GLN A 270 6.754 -0.221 12.007 1.00 38.45 C ATOM 2308 C GLN A 270 5.370 -0.569 12.556 1.00 38.57 C ATOM 2309 O GLN A 270 4.504 0.297 12.686 1.00 46.83 O ATOM 2310 CB GLN A 270 7.612 0.402 13.110 1.00 40.90 C ATOM 2311 CG GLN A 270 8.974 0.877 12.638 1.00 39.83 C ATOM 2312 CD GLN A 270 9.842 -0.254 12.127 1.00 42.89 C ATOM 2313 OE1 GLN A 270 9.982 -1.289 12.777 1.00 40.70 O ATOM 2314 NE2 GLN A 270 10.430 -0.062 10.952 1.00 45.08 N ATOM 2315 HE22 GLN A 270 10.284 0.829 10.437 1.00 0.00 H ATOM 2316 HE21 GLN A 270 11.037 -0.803 10.547 1.00 0.00 H ATOM 2317 H GLN A 270 6.283 1.634 10.989 1.00 0.00 H ATOM 2318 N LEU A 271 5.166 -1.841 12.879 1.00 38.70 N ATOM 2319 CA LEU A 271 3.895 -2.279 13.446 1.00 43.87 C ATOM 2320 C LEU A 271 3.868 -2.059 14.951 1.00 51.12 C ATOM 2321 O LEU A 271 2.879 -1.576 15.501 1.00 58.18 O ATOM 2322 CB LEU A 271 3.640 -3.753 13.126 1.00 42.68 C ATOM 2323 CG LEU A 271 2.321 -4.333 13.642 1.00 42.71 C ATOM 2324 CD1 LEU A 271 1.135 -3.555 13.095 1.00 40.55 C ATOM 2325 CD2 LEU A 271 2.210 -5.802 13.283 1.00 43.84 C ATOM 2326 H LEU A 271 5.924 -2.536 12.725 1.00 0.00 H ATOM 2327 N LEU A 272 4.968 -2.412 15.607 1.00 53.01 N ATOM 2328 CA LEU A 272 5.076 -2.327 17.058 1.00 60.20 C ATOM 2329 C LEU A 272 6.538 -2.150 17.472 1.00 67.23 C ATOM 2330 O LEU A 272 7.449 -2.533 16.738 1.00 68.64 O ATOM 2331 CB LEU A 272 4.468 -3.579 17.701 1.00 63.57 C ATOM 2332 CG LEU A 272 4.753 -3.899 19.167 1.00 72.64 C ATOM 2333 CD1 LEU A 272 4.248 -2.793 20.081 1.00 77.42 C ATOM 2334 CD2 LEU A 272 4.138 -5.239 19.543 1.00 81.74 C ATOM 2335 OXT LEU A 272 6.860 -1.613 18.534 1.00 73.41 O ATOM 2336 H LEU A 272 5.783 -2.762 15.064 1.00 0.00 H TER 2337 LEU A 272 HETATM 2338 O HOH 1 2.347 5.248 11.993 1.00 37.97 O HETATM 2339 O HOH 2 -3.688 5.888 9.029 1.00 42.41 O HETATM 2340 O HOH 3 11.681 4.089 19.224 1.00 49.81 O HETATM 2341 O HOH 4 0.540 5.633 17.629 1.00 55.36 O HETATM 2342 O HOH 5 -0.371 7.894 3.403 1.00 38.85 O HETATM 2343 O HOH 6 -2.377 32.225 7.123 1.00 70.55 O HETATM 2344 O HOH 7 -3.569 7.553 -1.155 1.00 39.04 O HETATM 2345 O HOH 8 -1.670 -3.913 5.847 1.00 40.66 O HETATM 2346 O HOH 9 6.489 18.898 -4.870 1.00 45.06 O HETATM 2347 O HOH 10 -1.195 8.280 10.561 1.00 34.93 O HETATM 2348 O HOH 11 -8.810 6.041 7.025 1.00 35.54 O HETATM 2349 O HOH 12 9.480 16.042 14.562 1.00 42.74 O HETATM 2350 O HOH 13 1.446 10.831 8.816 1.00 42.02 O HETATM 2351 O HOH 14 -0.762 11.802 -2.749 1.00 33.17 O HETATM 2352 O HOH 15 0.273 9.437 -3.869 1.00 46.03 O HETATM 2353 O HOH 16 -3.892 6.566 2.358 1.00 42.74 O HETATM 2354 O HOH 17 6.396 26.251 -16.053 1.00 56.71 O HETATM 2355 O HOH 18 13.341 12.333 -6.994 1.00 48.18 O HETATM 2356 O HOH 19 8.980 8.742 2.844 1.00 37.00 O HETATM 2357 O HOH 20 -6.536 6.827 1.988 1.00 35.47 O HETATM 2358 O HOH 21 0.992 6.491 10.080 1.00 41.98 O HETATM 2359 O HOH 22 8.336 8.336 0.000 1.00 64.63 O HETATM 2360 O HOH 23 11.078 14.214 15.793 1.00 49.06 O HETATM 2361 O HOH 24 3.026 8.555 9.088 1.00 35.27 O HETATM 2362 O HOH 25 8.925 23.345 16.716 1.00 56.46 O HETATM 2363 O HOH 26 -16.972 7.938 16.776 1.00 46.87 O HETATM 2364 O HOH 27 12.118 35.991 2.194 1.00 54.21 O HETATM 2365 O HOH 28 -2.313 20.744 3.624 1.00 45.36 O HETATM 2366 O HOH 29 -0.334 23.993 11.715 1.00 33.87 O HETATM 2367 O HOH 30 13.313 15.461 16.573 1.00 55.96 O HETATM 2368 C12 UNN A 31 -1.176 17.289 10.233 1.00 -0.00 C HETATM 2369 C13 UNN A 31 -0.168 16.371 10.655 1.00 -0.06 C HETATM 2370 C14 UNN A 31 -0.096 16.006 11.999 1.00 -0.03 C HETATM 2371 C15 UNN A 31 -1.006 16.522 12.923 1.00 0.11 C HETATM 2372 O16 UNN A 31 -0.888 16.135 14.290 1.00 -0.25 O HETATM 2373 C17 UNN A 31 -1.856 15.176 14.696 1.00 0.13 C HETATM 2374 C18 UNN A 31 -1.962 14.923 16.061 1.00 0.02 C HETATM 2375 C19 UNN A 31 -1.050 15.669 17.017 1.00 0.04 C HETATM 2376 N20 UNN A 31 -0.919 15.243 18.258 1.00 -0.16 N HETATM 2377 O21 UNN A 31 -0.090 15.918 19.123 1.00 -0.25 O HETATM 2378 H19 UNN A 31 -0.104 15.491 19.971 1.00 0.28 H HETATM 2379 H3 UNN A 31 -0.507 16.551 16.680 1.00 0.08 H HETATM 2380 C22 UNN A 31 -2.886 14.001 16.535 1.00 -0.08 C HETATM 2381 C23 UNN A 31 -3.708 13.336 15.630 1.00 -0.10 C HETATM 2382 C24 UNN A 31 -4.736 12.313 16.118 1.00 0.18 C HETATM 2383 F25 UNN A 31 -4.271 11.693 17.217 1.00 -0.37 F HETATM 2384 F26 UNN A 31 -4.946 11.413 15.148 1.00 -0.37 F HETATM 2385 F27 UNN A 31 -5.882 12.950 16.402 1.00 -0.37 F HETATM 2386 C28 UNN A 31 -3.601 13.589 14.266 1.00 -0.09 C HETATM 2387 C29 UNN A 31 -2.672 14.509 13.790 1.00 -0.02 C HETATM 2388 H21 UNN A 31 -2.586 14.703 12.727 1.00 0.06 H HETATM 2389 H20 UNN A 31 -4.246 13.066 13.569 1.00 0.06 H HETATM 2390 H4 UNN A 31 -2.966 13.802 17.598 1.00 0.06 H HETATM 2391 C30 UNN A 31 -1.993 17.425 12.510 1.00 -0.03 C HETATM 2392 C31 UNN A 31 -2.071 17.800 11.127 1.00 -0.02 C HETATM 2393 O01 UNN A 31 -4.748 18.184 10.770 1.00 -0.87 O HETATM 2394 H6 UNN A 31 -4.803 17.412 10.219 1.00 -0.13 H HETATM 2395 N04 UNN A 31 -3.012 19.297 9.186 1.00 -0.50 N HETATM 2396 S05 UNN A 31 -3.623 20.737 8.674 1.00 -0.06 S HETATM 2397 O06 UNN A 31 -3.940 20.662 7.268 1.00 -0.19 O HETATM 2398 C07 UNN A 31 -2.461 22.036 9.027 1.00 0.05 C HETATM 2399 C08 UNN A 31 -1.099 21.639 8.510 1.00 -0.05 C HETATM 2400 H12 UNN A 31 -0.377 22.440 8.726 1.00 0.02 H HETATM 2401 H13 UNN A 31 -1.152 21.477 7.423 1.00 0.02 H HETATM 2402 H14 UNN A 31 -0.776 20.711 9.004 1.00 0.02 H HETATM 2403 H10 UNN A 31 -2.409 22.198 10.114 1.00 0.05 H HETATM 2404 H11 UNN A 31 -2.785 22.964 8.533 1.00 0.05 H HETATM 2405 O09 UNN A 31 -4.901 20.976 9.280 1.00 -0.19 O HETATM 2406 N10 UNN A 31 -2.297 18.517 8.281 1.00 0.20 N HETATM 2407 C11 UNN A 31 -1.230 17.669 8.744 1.00 -0.01 C HETATM 2408 H17 UNN A 31 -1.293 16.731 8.173 1.00 0.10 H HETATM 2409 H18 UNN A 31 -0.285 18.180 8.507 1.00 0.10 H HETATM 2410 H15 UNN A 31 -1.894 19.149 7.607 1.00 0.20 H HETATM 2411 H16 UNN A 31 -2.966 17.918 7.822 1.00 0.20 H HETATM 2412 O03 UNN A 31 -3.203 20.206 11.613 1.00 -0.87 O HETATM 2413 H7 UNN A 31 -3.873 20.818 11.333 1.00 -0.13 H HETATM 2414 H22 UNN A 31 -2.692 17.837 13.229 1.00 0.05 H HETATM 2415 H1 UNN A 31 0.673 15.316 12.329 1.00 0.05 H HETATM 2416 H2 UNN A 31 0.534 15.962 9.938 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1805 1806 1810 1811 1812 CONECT 1810 1805 CONECT 1811 1805 CONECT 1812 1805 CONECT 2368 2369 2392 2407 CONECT 2369 2368 2370 2416 CONECT 2370 2369 2371 2415 CONECT 2371 2370 2372 2391 CONECT 2372 2371 2373 CONECT 2373 2372 2374 2387 CONECT 2374 2373 2375 2380 CONECT 2375 2374 2376 2379 CONECT 2376 2375 2377 CONECT 2377 2376 2378 CONECT 2378 2377 CONECT 2379 2375 CONECT 2380 2374 2381 2390 CONECT 2381 2380 2382 2386 CONECT 2382 2381 2383 2384 2385 CONECT 2383 2382 CONECT 2384 2382 CONECT 2385 2382 CONECT 2386 2381 2387 2389 CONECT 2387 2373 2386 2388 CONECT 2388 2387 CONECT 2389 2386 CONECT 2390 2380 CONECT 2391 2371 2392 2414 CONECT 2392 0 2368 2391 CONECT 2393 0 2394 CONECT 2394 2393 CONECT 2395 0 2396 2406 CONECT 2396 2395 2397 2398 2405 CONECT 2397 2396 CONECT 2398 2396 2399 2403 2404 CONECT 2399 2398 2400 2401 2402 CONECT 2400 2399 CONECT 2401 2399 CONECT 2402 2399 CONECT 2403 2398 CONECT 2404 2398 CONECT 2405 2396 CONECT 2406 2395 2407 2410 2411 CONECT 2407 2368 2406 2408 2409 CONECT 2408 2407 CONECT 2409 2407 CONECT 2410 2406 CONECT 2411 2406 CONECT 2412 0 2413 CONECT 2413 2412 CONECT 2414 2391 CONECT 2415 2370 CONECT 2416 2369 MASTER 0 0 0 0 0 0 0 0 2414 2 57 21 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 5vrl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5vrl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand Name
9JA
EC.Number
E.C.1.3.1.9
Resolution
2.65(Å)
Affinity (Kd/Ki/IC50)
Kd=77nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Life Sci Alliance Vol. 1: pp. e201800025-e201800025
Ligand Properties
Formula
C
1
7
H
1
9
BF
3
N
3
O
6
S
Molecular Weight
461.220
Exact Mass
461.104
No. of atoms
50
No. of bonds
52
Polar Surface Area
144.65
LOGP Value
3.26 (
Computed with XLOGP3
)
2.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
O/N=C/c1cc(ccc1Oc1ccc2c(c1)[B](O)(O)N([NH2+]C2)S(=O)(=O)CC)C(F)(F)F
InChI String
InChI=1S/C17H18BF3N3O6S/c1-2-31(28,29)24-18(25,26)15-8-14(5-3-11(15)9-22-24)30-16-6-4-13(17(19,20)21)7-12(16)10-23-27/h3-8,10,22,25-27H,2,9H2,1H3/p+1/b23-10+
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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