Browse entries in the PDBbind-CN Database
HEADER 5YY9_COMPLEX COMPND 5YY9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 VAL ASN GLU TYR VAL ASP ALA ARG ASP THR ASN MET GLY SEQRES 2 A 117 ALA TRP PHE GLU ALA GLN VAL VAL ARG VAL THR ARG LYS SEQRES 3 A 117 ALA PRO SER ARG PRO ALA LEU GLU GLU ASP VAL ILE TYR SEQRES 4 A 117 HIS VAL LYS TYR ASP ASP TYR PRO GLU ASN GLY VAL VAL SEQRES 5 A 117 GLN MET ASN SER ARG ASP VAL ARG ALA ARG ALA ARG THR SEQRES 6 A 117 ILE ILE LYS TRP GLN ASP LEU GLU VAL GLY GLN VAL VAL SEQRES 7 A 117 MET LEU ASN TYR ASN PRO ASP ASN PRO LYS GLU ARG GLY SEQRES 8 A 117 PHE TRP TYR ASP ALA GLU ILE SER ARG LYS ARG GLU THR SEQRES 9 A 117 ARG THR ALA ARG GLU LEU TYR ALA ASN VAL VAL LEU GLY SEQRES 1 A 20 ASP SER LEU ASN ASP CYS ARG ILE ILE PHE VAL ASP GLU SEQRES 2 A 20 VAL PHE LYS ILE GLU ARG PRO HET ILE A 150 217 ATOM 1 N VAL A 137 -1.411 -26.340 15.220 1.00 60.76 N ATOM 2 CA VAL A 137 -1.286 -26.660 16.638 1.00 63.51 C ATOM 3 C VAL A 137 -1.513 -25.400 17.485 1.00 63.94 C ATOM 4 O VAL A 137 -1.858 -25.482 18.666 1.00 61.10 O ATOM 5 CB VAL A 137 0.085 -27.312 16.937 1.00 65.09 C ATOM 6 CG1 VAL A 137 1.221 -26.359 16.590 1.00 68.40 C ATOM 7 CG2 VAL A 137 0.172 -27.776 18.392 1.00 57.60 C ATOM 8 HN3 VAL A 137 -0.702 -25.623 14.964 1.00 0.00 H ATOM 9 HN2 VAL A 137 -2.364 -25.969 15.032 1.00 0.00 H ATOM 10 HN1 VAL A 137 -1.255 -27.200 14.657 1.00 0.00 H ATOM 11 N ASN A 138 -1.323 -24.236 16.872 1.00 62.94 N ATOM 12 CA ASN A 138 -1.684 -22.962 17.491 1.00 58.92 C ATOM 13 C ASN A 138 -2.883 -22.419 16.699 1.00 59.77 C ATOM 14 O ASN A 138 -3.081 -22.917 15.590 1.00 64.91 O ATOM 15 CB ASN A 138 -0.487 -22.013 17.497 1.00 59.06 C ATOM 16 CG ASN A 138 0.619 -22.490 18.424 1.00 63.14 C ATOM 17 OD1 ASN A 138 1.434 -23.334 18.053 1.00 63.58 O ATOM 18 ND2 ASN A 138 0.639 -21.962 19.644 1.00 62.93 N ATOM 19 HD22 ASN A 138 -0.070 -21.251 19.915 1.00 0.00 H ATOM 20 HD21 ASN A 138 1.364 -22.260 20.328 1.00 0.00 H ATOM 21 H ASN A 138 -0.904 -24.232 15.920 1.00 0.00 H ATOM 22 N GLU A 139 -3.712 -21.458 17.155 1.00 56.49 N ATOM 23 CA GLU A 139 -3.635 -20.470 18.262 1.00 56.37 C ATOM 24 C GLU A 139 -2.868 -19.232 17.785 1.00 56.63 C ATOM 25 O GLU A 139 -1.730 -18.985 18.186 1.00 59.92 O ATOM 26 CB GLU A 139 -3.036 -21.015 19.569 1.00 58.84 C ATOM 27 H GLU A 139 -4.598 -21.395 16.614 1.00 0.00 H ATOM 28 N TYR A 140 -3.529 -18.465 16.915 1.00 48.80 N ATOM 29 CA TYR A 140 -3.049 -17.184 16.411 1.00 43.80 C ATOM 30 C TYR A 140 -4.264 -16.300 16.183 1.00 37.38 C ATOM 31 O TYR A 140 -5.279 -16.770 15.660 1.00 34.47 O ATOM 32 CB TYR A 140 -2.273 -17.318 15.099 1.00 46.15 C ATOM 33 CG TYR A 140 -1.081 -18.234 15.147 1.00 49.71 C ATOM 34 CD1 TYR A 140 0.097 -17.852 15.780 1.00 50.16 C ATOM 35 CD2 TYR A 140 -1.123 -19.475 14.524 1.00 55.25 C ATOM 36 CE1 TYR A 140 1.193 -18.693 15.810 1.00 54.17 C ATOM 37 CE2 TYR A 140 -0.035 -20.320 14.543 1.00 61.09 C ATOM 38 CZ TYR A 140 1.121 -19.928 15.190 1.00 61.96 C ATOM 39 OH TYR A 140 2.203 -20.777 15.207 1.00 71.32 O ATOM 40 HH TYR A 140 2.946 -20.353 15.706 1.00 0.00 H ATOM 41 H TYR A 140 -4.450 -18.805 16.573 1.00 0.00 H ATOM 42 N VAL A 141 -4.172 -15.023 16.560 1.00 37.40 N ATOM 43 CA VAL A 141 -5.328 -14.138 16.507 1.00 35.79 C ATOM 44 C VAL A 141 -4.933 -12.789 15.916 1.00 34.43 C ATOM 45 O VAL A 141 -3.753 -12.454 15.783 1.00 29.48 O ATOM 46 CB VAL A 141 -5.970 -13.928 17.902 1.00 35.14 C ATOM 47 CG1 VAL A 141 -6.486 -15.244 18.476 1.00 34.31 C ATOM 48 CG2 VAL A 141 -4.986 -13.275 18.862 1.00 31.55 C ATOM 49 H VAL A 141 -3.260 -14.654 16.897 1.00 0.00 H ATOM 50 N ASP A 142 -5.963 -12.026 15.547 1.00 34.11 N ATOM 51 CA ASP A 142 -5.869 -10.643 15.105 1.00 33.78 C ATOM 52 C ASP A 142 -6.614 -9.768 16.104 1.00 33.56 C ATOM 53 O ASP A 142 -7.674 -10.156 16.609 1.00 29.94 O ATOM 54 CB ASP A 142 -6.468 -10.447 13.698 1.00 34.99 C ATOM 55 CG ASP A 142 -5.449 -10.652 12.579 1.00 39.54 C ATOM 56 OD1 ASP A 142 -4.355 -10.047 12.650 1.00 41.09 O ATOM 57 OD2 ASP A 142 -5.756 -11.396 11.614 1.00 34.84 O ATOM 58 H ASP A 142 -6.910 -12.454 15.578 1.00 0.00 H ATOM 59 N ALA A 143 -6.054 -8.601 16.407 1.00 33.10 N ATOM 60 CA ALA A 143 -6.633 -7.684 17.379 1.00 37.52 C ATOM 61 C ALA A 143 -6.935 -6.355 16.702 1.00 34.91 C ATOM 62 O ALA A 143 -6.069 -5.792 16.025 1.00 36.31 O ATOM 63 CB ALA A 143 -5.689 -7.474 18.564 1.00 39.25 C ATOM 64 H ALA A 143 -5.169 -8.333 15.932 1.00 0.00 H ATOM 65 N ARG A 144 -8.154 -5.851 16.891 1.00 34.70 N ATOM 66 CA ARG A 144 -8.597 -4.614 16.256 1.00 38.92 C ATOM 67 C ARG A 144 -8.451 -3.465 17.249 1.00 37.76 C ATOM 68 O ARG A 144 -9.126 -3.441 18.283 1.00 36.96 O ATOM 69 CB ARG A 144 -10.043 -4.730 15.769 1.00 39.16 C ATOM 70 CG ARG A 144 -10.547 -3.492 15.008 1.00 38.79 C ATOM 71 CD ARG A 144 -12.046 -3.277 15.189 1.00 38.93 C ATOM 72 NE ARG A 144 -12.841 -4.251 14.448 1.00 41.30 N ATOM 73 CZ ARG A 144 -14.050 -4.664 14.818 1.00 42.90 C ATOM 74 NH1 ARG A 144 -14.598 -4.200 15.932 1.00 48.51 N ATOM 75 NH2 ARG A 144 -14.706 -5.552 14.085 1.00 43.23 N ATOM 76 HE ARG A 144 -12.437 -4.647 13.576 1.00 0.00 H ATOM 77 HH12 ARG A 144 -15.543 -4.524 16.220 1.00 0.00 H ATOM 78 HH11 ARG A 144 -14.083 -3.512 16.518 1.00 0.00 H ATOM 79 HH22 ARG A 144 -15.651 -5.872 14.378 1.00 0.00 H ATOM 80 HH21 ARG A 144 -14.276 -5.929 13.216 1.00 0.00 H ATOM 81 H ARG A 144 -8.814 -6.358 17.514 1.00 0.00 H ATOM 82 N ASP A 145 -7.571 -2.514 16.937 1.00 38.73 N ATOM 83 CA ASP A 145 -7.515 -1.287 17.720 1.00 41.67 C ATOM 84 C ASP A 145 -8.817 -0.520 17.548 1.00 44.06 C ATOM 85 O ASP A 145 -9.257 -0.264 16.423 1.00 42.11 O ATOM 86 CB ASP A 145 -6.330 -0.422 17.298 1.00 39.34 C ATOM 87 CG ASP A 145 -6.211 0.834 18.135 1.00 42.62 C ATOM 88 OD1 ASP A 145 -6.329 0.732 19.372 1.00 47.88 O ATOM 89 OD2 ASP A 145 -6.016 1.925 17.567 1.00 44.99 O ATOM 90 H ASP A 145 -6.924 -2.648 16.134 1.00 0.00 H ATOM 91 N THR A 146 -9.430 -0.141 18.670 1.00 46.03 N ATOM 92 CA THR A 146 -10.796 0.369 18.623 1.00 49.38 C ATOM 93 C THR A 146 -10.885 1.783 18.066 1.00 47.68 C ATOM 94 O THR A 146 -11.975 2.207 17.666 1.00 52.88 O ATOM 95 CB THR A 146 -11.432 0.320 20.018 1.00 51.57 C ATOM 96 OG1 THR A 146 -10.559 0.941 20.971 1.00 54.09 O ATOM 97 CG2 THR A 146 -11.686 -1.117 20.439 1.00 47.31 C ATOM 98 HG1 THR A 146 -10.408 1.885 20.712 1.00 0.00 H ATOM 99 H THR A 146 -8.933 -0.209 19.581 1.00 0.00 H ATOM 100 N ASN A 147 -9.777 2.514 18.011 1.00 47.49 N ATOM 101 CA ASN A 147 -9.823 3.893 17.539 1.00 50.43 C ATOM 102 C ASN A 147 -9.429 4.040 16.078 1.00 48.27 C ATOM 103 O ASN A 147 -10.001 4.885 15.382 1.00 50.57 O ATOM 104 CB ASN A 147 -8.924 4.788 18.400 1.00 53.16 C ATOM 105 CG ASN A 147 -9.259 4.693 19.872 1.00 61.60 C ATOM 106 OD1 ASN A 147 -10.257 4.074 20.250 1.00 70.23 O ATOM 107 ND2 ASN A 147 -8.453 5.337 20.710 1.00 63.75 N ATOM 108 HD22 ASN A 147 -7.623 5.846 20.345 1.00 0.00 H ATOM 109 HD21 ASN A 147 -8.653 5.332 21.731 1.00 0.00 H ATOM 110 H ASN A 147 -8.870 2.100 18.307 1.00 0.00 H ATOM 111 N MET A 148 -8.488 3.234 15.593 1.00 45.22 N ATOM 112 CA MET A 148 -8.167 3.223 14.174 1.00 44.62 C ATOM 113 C MET A 148 -9.044 2.278 13.373 1.00 42.74 C ATOM 114 O MET A 148 -9.143 2.433 12.150 1.00 42.08 O ATOM 115 CB MET A 148 -6.712 2.810 13.961 1.00 42.03 C ATOM 116 CG MET A 148 -5.699 3.794 14.466 1.00 43.63 C ATOM 117 SD MET A 148 -4.065 3.120 14.170 1.00 46.93 S ATOM 118 CE MET A 148 -4.266 1.529 14.930 1.00 37.20 C ATOM 119 H MET A 148 -7.974 2.602 16.239 1.00 0.00 H ATOM 120 N GLY A 149 -9.669 1.306 14.029 1.00 41.83 N ATOM 121 CA GLY A 149 -10.483 0.325 13.350 1.00 39.34 C ATOM 122 C GLY A 149 -9.708 -0.751 12.629 1.00 32.61 C ATOM 123 O GLY A 149 -10.330 -1.638 12.036 1.00 28.73 O ATOM 124 H GLY A 149 -9.569 1.250 15.063 1.00 0.00 H ATOM 125 N ALA A 150 -8.377 -0.717 12.680 1.00 36.41 N ATOM 126 CA ALA A 150 -7.536 -1.652 11.946 1.00 36.75 C ATOM 127 C ALA A 150 -7.198 -2.884 12.779 1.00 34.00 C ATOM 128 O ALA A 150 -7.183 -2.852 14.011 1.00 31.30 O ATOM 129 CB ALA A 150 -6.246 -0.970 11.487 1.00 34.55 C ATOM 130 H ALA A 150 -7.919 0.008 13.269 1.00 0.00 H ATOM 131 N TRP A 151 -6.878 -3.968 12.079 1.00 34.31 N ATOM 132 CA TRP A 151 -6.536 -5.232 12.710 1.00 32.24 C ATOM 133 C TRP A 151 -5.027 -5.420 12.719 1.00 33.88 C ATOM 134 O TRP A 151 -4.342 -5.127 11.734 1.00 35.49 O ATOM 135 CB TRP A 151 -7.191 -6.411 11.988 1.00 32.10 C ATOM 136 CG TRP A 151 -8.680 -6.405 12.050 1.00 32.39 C ATOM 137 CD1 TRP A 151 -9.530 -5.735 11.226 1.00 31.83 C ATOM 138 CD2 TRP A 151 -9.497 -7.069 13.020 1.00 33.92 C ATOM 139 NE1 TRP A 151 -10.831 -5.961 11.604 1.00 35.23 N ATOM 140 CE2 TRP A 151 -10.838 -6.773 12.708 1.00 34.89 C ATOM 141 CE3 TRP A 151 -9.226 -7.892 14.119 1.00 33.17 C ATOM 142 CZ2 TRP A 151 -11.907 -7.272 13.453 1.00 36.24 C ATOM 143 CZ3 TRP A 151 -10.289 -8.385 14.860 1.00 33.11 C ATOM 144 CH2 TRP A 151 -11.612 -8.075 14.523 1.00 35.42 C ATOM 145 HE1 TRP A 151 -11.674 -5.578 11.130 1.00 0.00 H ATOM 146 H TRP A 151 -6.872 -3.909 11.041 1.00 0.00 H ATOM 147 N PHE A 152 -4.516 -5.910 13.841 1.00 34.33 N ATOM 148 CA PHE A 152 -3.096 -6.145 14.020 1.00 30.80 C ATOM 149 C PHE A 152 -2.891 -7.533 14.603 1.00 33.60 C ATOM 150 O PHE A 152 -3.740 -8.053 15.333 1.00 38.36 O ATOM 151 CB PHE A 152 -2.452 -5.107 14.939 1.00 27.60 C ATOM 152 CG PHE A 152 -2.521 -3.705 14.420 1.00 29.31 C ATOM 153 CD1 PHE A 152 -3.668 -2.943 14.586 1.00 33.29 C ATOM 154 CD2 PHE A 152 -1.429 -3.135 13.786 1.00 28.07 C ATOM 155 CE1 PHE A 152 -3.729 -1.647 14.112 1.00 33.13 C ATOM 156 CE2 PHE A 152 -1.485 -1.836 13.313 1.00 32.97 C ATOM 157 CZ PHE A 152 -2.634 -1.092 13.475 1.00 31.96 C ATOM 158 H PHE A 152 -5.161 -6.135 14.625 1.00 0.00 H ATOM 159 N GLU A 153 -1.750 -8.121 14.270 1.00 32.11 N ATOM 160 CA GLU A 153 -1.398 -9.439 14.770 1.00 36.86 C ATOM 161 C GLU A 153 -1.133 -9.370 16.273 1.00 35.81 C ATOM 162 O GLU A 153 -0.471 -8.452 16.765 1.00 34.86 O ATOM 163 CB GLU A 153 -0.186 -9.947 13.994 1.00 37.07 C ATOM 164 CG GLU A 153 -0.538 -10.139 12.519 1.00 40.02 C ATOM 165 CD GLU A 153 0.582 -9.755 11.564 1.00 45.42 C ATOM 166 OE1 GLU A 153 0.994 -8.573 11.593 1.00 43.62 O ATOM 167 OE2 GLU A 153 1.014 -10.613 10.756 1.00 41.38 O ATOM 168 H GLU A 153 -1.091 -7.627 13.635 1.00 0.00 H ATOM 169 N ALA A 154 -1.674 -10.334 17.011 1.00 35.24 N ATOM 170 CA ALA A 154 -1.635 -10.259 18.464 1.00 39.12 C ATOM 171 C ALA A 154 -1.747 -11.656 19.051 1.00 37.08 C ATOM 172 O ALA A 154 -1.977 -12.638 18.340 1.00 36.64 O ATOM 173 CB ALA A 154 -2.753 -9.360 18.997 1.00 37.71 C ATOM 174 H ALA A 154 -2.128 -11.147 16.547 1.00 0.00 H ATOM 175 N GLN A 155 -1.568 -11.734 20.368 1.00 34.69 N ATOM 176 CA GLN A 155 -1.750 -12.980 21.096 1.00 38.96 C ATOM 177 C GLN A 155 -2.610 -12.739 22.325 1.00 36.77 C ATOM 178 O GLN A 155 -2.643 -11.636 22.872 1.00 34.33 O ATOM 179 CB GLN A 155 -0.418 -13.588 21.540 1.00 37.47 C ATOM 180 CG GLN A 155 0.716 -13.359 20.579 1.00 41.76 C ATOM 181 CD GLN A 155 2.061 -13.557 21.239 1.00 51.53 C ATOM 182 OE1 GLN A 155 2.191 -14.336 22.186 1.00 59.07 O ATOM 183 NE2 GLN A 155 3.071 -12.833 20.760 1.00 55.08 N ATOM 184 HE22 GLN A 155 2.915 -12.188 19.959 1.00 0.00 H ATOM 185 HE21 GLN A 155 4.016 -12.912 21.187 1.00 0.00 H ATOM 186 H GLN A 155 -1.290 -10.879 20.891 1.00 0.00 H ATOM 187 N VAL A 156 -3.298 -13.791 22.755 1.00 39.39 N ATOM 188 CA VAL A 156 -4.174 -13.741 23.918 1.00 35.84 C ATOM 189 C VAL A 156 -3.370 -14.123 25.152 1.00 38.30 C ATOM 190 O VAL A 156 -2.775 -15.206 25.206 1.00 38.93 O ATOM 191 CB VAL A 156 -5.380 -14.672 23.735 1.00 38.33 C ATOM 192 CG1 VAL A 156 -6.266 -14.630 24.963 1.00 38.30 C ATOM 193 CG2 VAL A 156 -6.159 -14.274 22.488 1.00 36.55 C ATOM 194 H VAL A 156 -3.207 -14.689 22.239 1.00 0.00 H ATOM 195 N VAL A 157 -3.370 -13.244 26.153 1.00 36.55 N ATOM 196 CA VAL A 157 -2.601 -13.457 27.373 1.00 37.57 C ATOM 197 C VAL A 157 -3.497 -14.043 28.457 1.00 39.44 C ATOM 198 O VAL A 157 -3.208 -15.114 29.000 1.00 37.84 O ATOM 199 CB VAL A 157 -1.961 -12.146 27.861 1.00 38.57 C ATOM 200 CG1 VAL A 157 -1.408 -12.328 29.263 1.00 39.54 C ATOM 201 CG2 VAL A 157 -0.870 -11.700 26.908 1.00 35.47 C ATOM 202 H VAL A 157 -3.937 -12.377 26.061 1.00 0.00 H ATOM 203 N ARG A 158 -4.583 -13.346 28.781 1.00 40.92 N ATOM 204 CA ARG A 158 -5.517 -13.778 29.809 1.00 37.76 C ATOM 205 C ARG A 158 -6.941 -13.702 29.283 1.00 37.56 C ATOM 206 O ARG A 158 -7.252 -12.930 28.372 1.00 40.62 O ATOM 207 CB ARG A 158 -5.421 -12.913 31.077 1.00 40.71 C ATOM 208 CG ARG A 158 -4.078 -12.927 31.771 1.00 41.87 C ATOM 209 CD ARG A 158 -4.031 -11.899 32.881 1.00 40.54 C ATOM 210 NE ARG A 158 -3.267 -10.717 32.490 1.00 43.15 N ATOM 211 CZ ARG A 158 -1.945 -10.624 32.593 1.00 49.94 C ATOM 212 NH1 ARG A 158 -1.244 -11.646 33.077 1.00 47.05 N ATOM 213 NH2 ARG A 158 -1.322 -9.513 32.212 1.00 52.32 N ATOM 214 HE ARG A 158 -3.787 -9.901 32.109 1.00 0.00 H ATOM 215 HH12 ARG A 158 -0.210 -11.575 33.158 1.00 0.00 H ATOM 216 HH11 ARG A 158 -1.730 -12.516 33.374 1.00 0.00 H ATOM 217 HH22 ARG A 158 -0.288 -9.443 32.294 1.00 0.00 H ATOM 218 HH21 ARG A 158 -1.869 -8.714 31.832 1.00 0.00 H ATOM 219 H ARG A 158 -4.772 -12.455 28.278 1.00 0.00 H ATOM 220 N VAL A 159 -7.806 -14.512 29.881 1.00 39.87 N ATOM 221 CA VAL A 159 -9.252 -14.380 29.743 1.00 43.61 C ATOM 222 C VAL A 159 -9.824 -14.242 31.150 1.00 42.11 C ATOM 223 O VAL A 159 -9.670 -15.149 31.979 1.00 40.92 O ATOM 224 CB VAL A 159 -9.876 -15.571 28.997 1.00 42.66 C ATOM 225 CG1 VAL A 159 -11.306 -15.256 28.602 1.00 41.79 C ATOM 226 CG2 VAL A 159 -9.066 -15.905 27.753 1.00 40.44 C ATOM 227 H VAL A 159 -7.434 -15.279 30.477 1.00 0.00 H ATOM 228 N THR A 160 -10.464 -13.106 31.427 1.00 42.16 N ATOM 229 CA THR A 160 -11.016 -12.818 32.744 1.00 41.28 C ATOM 230 C THR A 160 -12.513 -12.560 32.641 1.00 43.72 C ATOM 231 O THR A 160 -13.069 -12.355 31.559 1.00 45.56 O ATOM 232 CB THR A 160 -10.333 -11.608 33.406 1.00 39.60 C ATOM 233 OG1 THR A 160 -10.694 -10.404 32.716 1.00 41.34 O ATOM 234 CG2 THR A 160 -8.820 -11.761 33.420 1.00 37.78 C ATOM 235 HG1 THR A 160 -10.404 -10.467 31.772 1.00 0.00 H ATOM 236 H THR A 160 -10.574 -12.398 30.673 1.00 0.00 H ATOM 237 N ARG A 161 -13.160 -12.572 33.800 1.00 45.83 N ATOM 238 CA ARG A 161 -14.599 -12.388 33.904 1.00 46.03 C ATOM 239 C ARG A 161 -14.886 -10.947 34.311 1.00 45.32 C ATOM 240 O ARG A 161 -14.396 -10.480 35.344 1.00 44.43 O ATOM 241 CB ARG A 161 -15.186 -13.375 34.912 1.00 45.31 C ATOM 242 CG ARG A 161 -16.500 -12.953 35.506 1.00 47.06 C ATOM 243 CD ARG A 161 -17.014 -13.992 36.489 1.00 51.60 C ATOM 244 NE ARG A 161 -18.277 -13.557 37.072 1.00 53.90 N ATOM 245 CZ ARG A 161 -18.368 -12.695 38.079 1.00 54.27 C ATOM 246 NH1 ARG A 161 -17.266 -12.189 38.628 1.00 46.15 N ATOM 247 NH2 ARG A 161 -19.560 -12.343 38.541 1.00 56.12 N ATOM 248 HE ARG A 161 -19.158 -13.944 36.677 1.00 0.00 H ATOM 249 HH12 ARG A 161 -17.340 -11.514 39.416 1.00 0.00 H ATOM 250 HH11 ARG A 161 -16.331 -12.468 38.269 1.00 0.00 H ATOM 251 HH22 ARG A 161 -19.634 -11.668 39.329 1.00 0.00 H ATOM 252 HH21 ARG A 161 -20.421 -12.741 38.115 1.00 0.00 H ATOM 253 H ARG A 161 -12.614 -12.720 34.673 1.00 0.00 H ATOM 254 N LYS A 162 -15.665 -10.243 33.493 1.00 46.69 N ATOM 255 CA LYS A 162 -16.061 -8.865 33.773 1.00 45.34 C ATOM 256 C LYS A 162 -17.429 -8.893 34.439 1.00 47.98 C ATOM 257 O LYS A 162 -18.450 -9.068 33.768 1.00 49.53 O ATOM 258 CB LYS A 162 -16.095 -8.031 32.500 1.00 46.73 C ATOM 259 CG LYS A 162 -16.505 -6.585 32.731 1.00 44.64 C ATOM 260 CD LYS A 162 -17.032 -5.953 31.458 1.00 48.45 C ATOM 261 CE LYS A 162 -16.115 -4.855 30.959 1.00 47.44 C ATOM 262 NZ LYS A 162 -16.670 -4.249 29.724 1.00 44.98 N ATOM 263 HZ1 LYS A 162 -16.758 -4.980 28.990 1.00 0.00 H ATOM 264 HZ2 LYS A 162 -17.607 -3.846 29.928 1.00 0.00 H ATOM 265 HZ3 LYS A 162 -16.033 -3.498 29.391 1.00 0.00 H ATOM 266 H LYS A 162 -16.006 -10.692 32.619 1.00 0.00 H ATOM 267 N ALA A 163 -17.448 -8.723 35.757 1.00 47.46 N ATOM 268 CA ALA A 163 -18.714 -8.640 36.466 1.00 46.89 C ATOM 269 C ALA A 163 -19.477 -7.400 36.004 1.00 45.85 C ATOM 270 O ALA A 163 -18.862 -6.362 35.728 1.00 44.42 O ATOM 271 CB ALA A 163 -18.487 -8.592 37.977 1.00 47.36 C ATOM 272 H ALA A 163 -16.554 -8.649 36.283 1.00 0.00 H ATOM 273 N PRO A 164 -20.803 -7.473 35.897 1.00 46.48 N ATOM 274 CA PRO A 164 -21.565 -6.339 35.356 1.00 46.80 C ATOM 275 C PRO A 164 -21.406 -5.088 36.208 1.00 48.31 C ATOM 276 O PRO A 164 -21.527 -5.127 37.436 1.00 47.41 O ATOM 277 CB PRO A 164 -23.013 -6.848 35.362 1.00 46.11 C ATOM 278 CG PRO A 164 -23.027 -7.971 36.347 1.00 46.10 C ATOM 279 CD PRO A 164 -21.673 -8.611 36.239 1.00 47.26 C ATOM 280 N SER A 165 -21.117 -3.972 35.536 1.00 46.91 N ATOM 281 CA SER A 165 -21.013 -2.680 36.200 1.00 47.96 C ATOM 282 C SER A 165 -22.374 -2.068 36.485 1.00 47.97 C ATOM 283 O SER A 165 -22.474 -1.158 37.314 1.00 45.06 O ATOM 284 CB SER A 165 -20.201 -1.713 35.339 1.00 48.93 C ATOM 285 OG SER A 165 -19.174 -2.352 34.684 1.00 55.44 O ATOM 286 HG SER A 165 -18.673 -1.695 34.139 1.00 0.00 H ATOM 287 H SER A 165 -20.962 -4.026 34.509 1.00 0.00 H ATOM 288 N ARG A 166 -23.413 -2.538 35.805 1.00 48.29 N ATOM 289 CA ARG A 166 -24.761 -2.024 35.939 1.00 45.01 C ATOM 290 C ARG A 166 -25.726 -3.173 35.712 1.00 46.05 C ATOM 291 O ARG A 166 -25.340 -4.199 35.131 1.00 43.56 O ATOM 292 CB ARG A 166 -25.041 -0.896 34.936 1.00 47.65 C ATOM 293 CG ARG A 166 -24.258 0.378 35.175 1.00 48.22 C ATOM 294 CD ARG A 166 -23.633 0.845 33.876 1.00 50.95 C ATOM 295 NE ARG A 166 -24.554 0.682 32.757 1.00 49.28 N ATOM 296 CZ ARG A 166 -24.207 0.826 31.484 1.00 53.14 C ATOM 297 NH1 ARG A 166 -25.113 0.657 30.525 1.00 51.71 N ATOM 298 NH2 ARG A 166 -22.953 1.136 31.174 1.00 51.26 N ATOM 299 HE ARG A 166 -25.542 0.438 32.969 1.00 0.00 H ATOM 300 HH12 ARG A 166 -24.841 0.770 29.527 1.00 0.00 H ATOM 301 HH11 ARG A 166 -26.093 0.412 30.773 1.00 0.00 H ATOM 302 HH22 ARG A 166 -22.677 1.250 30.178 1.00 0.00 H ATOM 303 HH21 ARG A 166 -22.248 1.265 31.927 1.00 0.00 H ATOM 304 H ARG A 166 -23.250 -3.319 35.138 1.00 0.00 H ATOM 305 N PRO A 176 -26.976 -3.045 36.154 1.00 47.17 N ATOM 306 CA PRO A 176 -27.950 -4.117 35.895 1.00 49.84 C ATOM 307 C PRO A 176 -28.196 -4.376 34.413 1.00 46.79 C ATOM 308 O PRO A 176 -28.508 -5.514 34.038 1.00 43.96 O ATOM 309 CB PRO A 176 -29.217 -3.615 36.604 1.00 45.26 C ATOM 310 CG PRO A 176 -28.723 -2.675 37.644 1.00 44.07 C ATOM 311 CD PRO A 176 -27.525 -2.005 37.043 1.00 42.71 C ATOM 312 N ALA A 177 -28.056 -3.365 33.553 1.00 46.29 N ATOM 313 CA ALA A 177 -28.293 -3.548 32.124 1.00 47.17 C ATOM 314 C ALA A 177 -27.102 -4.167 31.397 1.00 48.49 C ATOM 315 O ALA A 177 -27.021 -4.070 30.164 1.00 48.48 O ATOM 316 CB ALA A 177 -28.671 -2.216 31.472 1.00 44.08 C ATOM 317 H ALA A 177 -27.773 -2.429 33.907 1.00 0.00 H ATOM 318 N LEU A 178 -26.180 -4.792 32.125 1.00 47.27 N ATOM 319 CA LEU A 178 -25.039 -5.477 31.536 1.00 45.88 C ATOM 320 C LEU A 178 -24.995 -6.910 32.046 1.00 47.97 C ATOM 321 O LEU A 178 -25.374 -7.186 33.190 1.00 51.76 O ATOM 322 CB LEU A 178 -23.718 -4.754 31.860 1.00 44.54 C ATOM 323 CG LEU A 178 -23.654 -3.248 31.576 1.00 47.72 C ATOM 324 CD1 LEU A 178 -22.496 -2.591 32.300 1.00 50.25 C ATOM 325 CD2 LEU A 178 -23.550 -2.953 30.095 1.00 46.08 C ATOM 326 H LEU A 178 -26.279 -4.791 33.160 1.00 0.00 H ATOM 327 N GLU A 179 -24.548 -7.818 31.184 1.00 51.16 N ATOM 328 CA GLU A 179 -24.374 -9.221 31.523 1.00 52.35 C ATOM 329 C GLU A 179 -22.908 -9.507 31.826 1.00 51.91 C ATOM 330 O GLU A 179 -22.012 -8.741 31.461 1.00 50.61 O ATOM 331 CB GLU A 179 -24.865 -10.120 30.384 1.00 45.85 C ATOM 332 H GLU A 179 -24.311 -7.509 30.219 1.00 0.00 H ATOM 333 N GLU A 180 -22.673 -10.621 32.514 1.00 51.58 N ATOM 334 CA GLU A 180 -21.310 -11.059 32.796 1.00 50.32 C ATOM 335 C GLU A 180 -20.670 -11.548 31.503 1.00 54.49 C ATOM 336 O GLU A 180 -21.021 -12.617 30.994 1.00 55.19 O ATOM 337 CB GLU A 180 -21.307 -12.157 33.854 1.00 47.32 C ATOM 338 CG GLU A 180 -19.928 -12.707 34.167 1.00 49.14 C ATOM 339 H GLU A 180 -23.474 -11.189 32.857 1.00 0.00 H ATOM 340 N ASP A 181 -19.735 -10.768 30.971 1.00 50.90 N ATOM 341 CA ASP A 181 -19.050 -11.090 29.730 1.00 54.19 C ATOM 342 C ASP A 181 -17.582 -11.390 30.006 1.00 51.18 C ATOM 343 O ASP A 181 -17.055 -11.115 31.087 1.00 50.43 O ATOM 344 CB ASP A 181 -19.191 -9.943 28.721 1.00 55.36 C ATOM 345 CG ASP A 181 -18.779 -10.351 27.313 1.00 56.80 C ATOM 346 OD1 ASP A 181 -18.467 -9.447 26.506 1.00 62.13 O ATOM 347 OD2 ASP A 181 -18.766 -11.574 27.026 1.00 61.84 O ATOM 348 H ASP A 181 -19.482 -9.888 31.464 1.00 0.00 H ATOM 349 N VAL A 182 -16.925 -11.976 29.006 1.00 48.56 N ATOM 350 CA VAL A 182 -15.523 -12.362 29.101 1.00 51.29 C ATOM 351 C VAL A 182 -14.658 -11.291 28.449 1.00 50.73 C ATOM 352 O VAL A 182 -15.015 -10.720 27.409 1.00 49.97 O ATOM 353 CB VAL A 182 -15.276 -13.750 28.474 1.00 49.77 C ATOM 354 CG1 VAL A 182 -16.287 -14.745 29.006 1.00 48.94 C ATOM 355 CG2 VAL A 182 -15.347 -13.695 26.961 1.00 50.30 C ATOM 356 H VAL A 182 -17.435 -12.166 28.120 1.00 0.00 H ATOM 357 N ILE A 183 -13.527 -11.001 29.079 1.00 48.41 N ATOM 358 CA ILE A 183 -12.544 -10.060 28.560 1.00 43.83 C ATOM 359 C ILE A 183 -11.359 -10.844 28.019 1.00 42.74 C ATOM 360 O ILE A 183 -10.909 -11.817 28.636 1.00 43.53 O ATOM 361 CB ILE A 183 -12.089 -9.074 29.650 1.00 44.57 C ATOM 362 CG1 ILE A 183 -13.275 -8.284 30.198 1.00 48.57 C ATOM 363 CG2 ILE A 183 -11.051 -8.120 29.091 1.00 46.01 C ATOM 364 CD1 ILE A 183 -12.867 -7.165 31.151 1.00 49.06 C ATOM 365 H ILE A 183 -13.333 -11.468 29.988 1.00 0.00 H ATOM 366 N TYR A 184 -10.865 -10.441 26.855 1.00 41.14 N ATOM 367 CA TYR A 184 -9.652 -11.008 26.282 1.00 38.17 C ATOM 368 C TYR A 184 -8.528 -9.999 26.445 1.00 40.59 C ATOM 369 O TYR A 184 -8.653 -8.847 26.015 1.00 42.96 O ATOM 370 CB TYR A 184 -9.836 -11.386 24.813 1.00 38.95 C ATOM 371 CG TYR A 184 -10.706 -12.599 24.600 1.00 41.48 C ATOM 372 CD1 TYR A 184 -12.088 -12.522 24.708 1.00 43.79 C ATOM 373 CD2 TYR A 184 -10.139 -13.830 24.288 1.00 41.20 C ATOM 374 CE1 TYR A 184 -12.881 -13.639 24.518 1.00 44.73 C ATOM 375 CE2 TYR A 184 -10.923 -14.952 24.093 1.00 39.82 C ATOM 376 CZ TYR A 184 -12.293 -14.852 24.211 1.00 44.86 C ATOM 377 OH TYR A 184 -13.075 -15.970 24.016 1.00 49.08 O ATOM 378 HH TYR A 184 -14.028 -15.730 24.136 1.00 0.00 H ATOM 379 H TYR A 184 -11.363 -9.692 26.332 1.00 0.00 H ATOM 380 N HIS A 185 -7.452 -10.428 27.099 1.00 38.30 N ATOM 381 CA HIS A 185 -6.266 -9.605 27.303 1.00 37.74 C ATOM 382 C HIS A 185 -5.276 -9.921 26.187 1.00 35.04 C ATOM 383 O HIS A 185 -4.786 -11.050 26.082 1.00 37.47 O ATOM 384 CB HIS A 185 -5.676 -9.859 28.688 1.00 36.90 C ATOM 385 CG HIS A 185 -6.605 -9.499 29.807 1.00 41.13 C ATOM 386 ND1 HIS A 185 -6.291 -8.557 30.762 1.00 39.12 N ATOM 387 CD2 HIS A 185 -7.850 -9.939 30.108 1.00 38.49 C ATOM 388 CE1 HIS A 185 -7.299 -8.436 31.606 1.00 40.74 C ATOM 389 NE2 HIS A 185 -8.258 -9.263 31.231 1.00 39.06 N ATOM 390 H HIS A 185 -7.457 -11.395 27.482 1.00 0.00 H ATOM 391 N VAL A 186 -5.011 -8.942 25.328 1.00 31.85 N ATOM 392 CA VAL A 186 -4.180 -9.169 24.155 1.00 36.06 C ATOM 393 C VAL A 186 -2.980 -8.238 24.201 1.00 34.79 C ATOM 394 O VAL A 186 -3.014 -7.166 24.813 1.00 34.65 O ATOM 395 CB VAL A 186 -4.958 -8.974 22.830 1.00 33.78 C ATOM 396 CG1 VAL A 186 -6.268 -9.767 22.848 1.00 36.44 C ATOM 397 CG2 VAL A 186 -5.209 -7.505 22.558 1.00 34.15 C ATOM 398 H VAL A 186 -5.405 -7.995 25.497 1.00 0.00 H ATOM 399 N LYS A 187 -1.910 -8.668 23.536 1.00 36.53 N ATOM 400 CA LYS A 187 -0.718 -7.867 23.309 1.00 36.88 C ATOM 401 C LYS A 187 -0.384 -7.918 21.826 1.00 36.60 C ATOM 402 O LYS A 187 -0.527 -8.965 21.187 1.00 36.33 O ATOM 403 CB LYS A 187 0.464 -8.372 24.146 1.00 35.57 C ATOM 404 CG LYS A 187 0.692 -9.873 24.064 1.00 31.76 C ATOM 405 CD LYS A 187 1.943 -10.284 24.833 1.00 34.40 C ATOM 406 H LYS A 187 -1.928 -9.636 23.156 1.00 0.00 H ATOM 407 N TYR A 188 0.033 -6.782 21.273 1.00 39.01 N ATOM 408 CA TYR A 188 0.339 -6.706 19.851 1.00 35.64 C ATOM 409 C TYR A 188 1.757 -7.206 19.590 1.00 37.78 C ATOM 410 O TYR A 188 2.696 -6.821 20.293 1.00 39.95 O ATOM 411 CB TYR A 188 0.180 -5.271 19.355 1.00 35.28 C ATOM 412 CG TYR A 188 -1.224 -4.728 19.509 1.00 35.03 C ATOM 413 CD1 TYR A 188 -2.246 -5.116 18.648 1.00 34.54 C ATOM 414 CD2 TYR A 188 -1.520 -3.800 20.504 1.00 31.24 C ATOM 415 CE1 TYR A 188 -3.532 -4.613 18.791 1.00 35.04 C ATOM 416 CE2 TYR A 188 -2.795 -3.290 20.653 1.00 31.62 C ATOM 417 CZ TYR A 188 -3.799 -3.697 19.793 1.00 38.19 C ATOM 418 OH TYR A 188 -5.072 -3.187 19.942 1.00 40.27 O ATOM 419 HH TYR A 188 -5.665 -3.578 19.253 1.00 0.00 H ATOM 420 H TYR A 188 0.142 -5.934 21.866 1.00 0.00 H ATOM 421 N ASP A 189 1.913 -8.043 18.558 1.00 43.29 N ATOM 422 CA ASP A 189 3.203 -8.682 18.299 1.00 40.30 C ATOM 423 C ASP A 189 4.299 -7.662 18.024 1.00 41.29 C ATOM 424 O ASP A 189 5.428 -7.815 18.504 1.00 45.36 O ATOM 425 CB ASP A 189 3.084 -9.658 17.128 1.00 38.64 C ATOM 426 CG ASP A 189 2.230 -10.866 17.461 1.00 43.38 C ATOM 427 OD1 ASP A 189 1.634 -10.888 18.561 1.00 45.90 O ATOM 428 OD2 ASP A 189 2.145 -11.790 16.623 1.00 44.47 O ATOM 429 H ASP A 189 1.107 -8.242 17.932 1.00 0.00 H ATOM 430 N ASP A 190 3.991 -6.604 17.278 1.00 40.14 N ATOM 431 CA ASP A 190 5.001 -5.608 16.944 1.00 47.71 C ATOM 432 C ASP A 190 4.975 -4.386 17.847 1.00 48.28 C ATOM 433 O ASP A 190 5.834 -3.513 17.701 1.00 49.26 O ATOM 434 CB ASP A 190 4.886 -5.178 15.478 1.00 47.56 C ATOM 435 CG ASP A 190 5.233 -6.300 14.520 1.00 50.03 C ATOM 436 OD1 ASP A 190 4.368 -6.693 13.711 1.00 52.54 O ATOM 437 OD2 ASP A 190 6.389 -6.779 14.572 1.00 54.97 O ATOM 438 H ASP A 190 3.018 -6.487 16.929 1.00 0.00 H ATOM 439 N TYR A 191 4.047 -4.311 18.795 1.00 48.17 N ATOM 440 CA TYR A 191 3.970 -3.186 19.725 1.00 47.16 C ATOM 441 C TYR A 191 3.893 -3.721 21.147 1.00 49.00 C ATOM 442 O TYR A 191 2.865 -3.594 21.823 1.00 47.76 O ATOM 443 CB TYR A 191 2.782 -2.278 19.404 1.00 44.33 C ATOM 444 CG TYR A 191 2.760 -1.785 17.974 1.00 44.73 C ATOM 445 CD1 TYR A 191 2.191 -2.541 16.952 1.00 41.98 C ATOM 446 CD2 TYR A 191 3.330 -0.563 17.644 1.00 43.51 C ATOM 447 CE1 TYR A 191 2.184 -2.081 15.641 1.00 37.58 C ATOM 448 CE2 TYR A 191 3.328 -0.099 16.344 1.00 44.63 C ATOM 449 CZ TYR A 191 2.755 -0.858 15.347 1.00 40.83 C ATOM 450 OH TYR A 191 2.763 -0.373 14.058 1.00 38.59 O ATOM 451 HH TYR A 191 2.319 -1.024 13.459 1.00 0.00 H ATOM 452 H TYR A 191 3.351 -5.079 18.878 1.00 0.00 H ATOM 453 N PRO A 192 4.984 -4.313 21.644 1.00 50.53 N ATOM 454 CA PRO A 192 5.010 -4.757 23.039 1.00 50.10 C ATOM 455 C PRO A 192 5.242 -3.621 24.013 1.00 52.12 C ATOM 456 O PRO A 192 5.231 -3.850 25.227 1.00 54.95 O ATOM 457 CB PRO A 192 6.181 -5.746 23.057 1.00 47.04 C ATOM 458 CG PRO A 192 7.116 -5.210 22.034 1.00 50.65 C ATOM 459 CD PRO A 192 6.281 -4.526 20.976 1.00 49.83 C ATOM 460 N GLU A 193 5.433 -2.405 23.508 1.00 52.45 N ATOM 461 CA GLU A 193 5.549 -1.243 24.370 1.00 53.98 C ATOM 462 C GLU A 193 4.192 -0.779 24.878 1.00 54.13 C ATOM 463 O GLU A 193 4.126 -0.138 25.934 1.00 54.76 O ATOM 464 CB GLU A 193 6.246 -0.105 23.617 1.00 54.10 C ATOM 465 CG GLU A 193 5.505 0.365 22.374 1.00 53.54 C ATOM 466 CD GLU A 193 6.225 0.000 21.093 1.00 60.16 C ATOM 467 OE1 GLU A 193 6.829 -1.093 21.055 1.00 58.06 O ATOM 468 OE2 GLU A 193 6.185 0.803 20.132 1.00 59.79 O ATOM 469 H GLU A 193 5.500 -2.285 22.477 1.00 0.00 H ATOM 470 N ASN A 194 3.116 -1.105 24.160 1.00 50.55 N ATOM 471 CA ASN A 194 1.759 -0.751 24.552 1.00 48.29 C ATOM 472 C ASN A 194 1.169 -1.696 25.586 1.00 49.20 C ATOM 473 O ASN A 194 -0.013 -1.557 25.923 1.00 48.30 O ATOM 474 CB ASN A 194 0.844 -0.703 23.326 1.00 48.12 C ATOM 475 CG ASN A 194 1.311 0.290 22.289 1.00 51.14 C ATOM 476 OD1 ASN A 194 2.500 0.399 22.002 1.00 51.37 O ATOM 477 ND2 ASN A 194 0.371 1.047 21.738 1.00 56.16 N ATOM 478 HD22 ASN A 194 -0.625 0.921 22.011 1.00 0.00 H ATOM 479 HD21 ASN A 194 0.630 1.767 21.033 1.00 0.00 H ATOM 480 H ASN A 194 3.253 -1.638 23.277 1.00 0.00 H ATOM 481 N GLY A 195 1.953 -2.642 26.091 1.00 46.65 N ATOM 482 CA GLY A 195 1.482 -3.572 27.091 1.00 46.91 C ATOM 483 C GLY A 195 0.289 -4.391 26.638 1.00 43.70 C ATOM 484 O GLY A 195 0.141 -4.747 25.464 1.00 44.60 O ATOM 485 H GLY A 195 2.935 -2.715 25.757 1.00 0.00 H ATOM 486 N VAL A 196 -0.584 -4.684 27.598 1.00 41.37 N ATOM 487 CA VAL A 196 -1.761 -5.519 27.391 1.00 38.34 C ATOM 488 C VAL A 196 -2.985 -4.632 27.209 1.00 38.28 C ATOM 489 O VAL A 196 -3.087 -3.558 27.815 1.00 39.18 O ATOM 490 CB VAL A 196 -1.937 -6.497 28.568 1.00 39.19 C ATOM 491 CG1 VAL A 196 -3.090 -7.454 28.315 1.00 35.02 C ATOM 492 CG2 VAL A 196 -0.645 -7.262 28.802 1.00 39.46 C ATOM 493 H VAL A 196 -0.418 -4.296 28.549 1.00 0.00 H ATOM 494 N VAL A 197 -3.872 -5.038 26.301 1.00 36.71 N ATOM 495 CA VAL A 197 -5.120 -4.336 26.024 1.00 36.45 C ATOM 496 C VAL A 197 -6.280 -5.251 26.387 1.00 37.51 C ATOM 497 O VAL A 197 -6.226 -6.459 26.131 1.00 38.30 O ATOM 498 CB VAL A 197 -5.194 -3.908 24.545 1.00 39.72 C ATOM 499 CG1 VAL A 197 -6.317 -2.916 24.327 1.00 41.34 C ATOM 500 CG2 VAL A 197 -3.868 -3.315 24.100 1.00 37.41 C ATOM 501 H VAL A 197 -3.663 -5.902 25.761 1.00 0.00 H ATOM 502 N GLN A 198 -7.338 -4.677 26.956 1.00 39.85 N ATOM 503 CA GLN A 198 -8.539 -5.425 27.319 1.00 44.54 C ATOM 504 C GLN A 198 -9.581 -5.256 26.225 1.00 39.58 C ATOM 505 O GLN A 198 -9.996 -4.131 25.934 1.00 42.33 O ATOM 506 CB GLN A 198 -9.115 -4.947 28.651 1.00 44.87 C ATOM 507 CG GLN A 198 -8.122 -4.820 29.777 1.00 47.04 C ATOM 508 CD GLN A 198 -8.809 -4.862 31.119 1.00 54.18 C ATOM 509 OE1 GLN A 198 -8.430 -5.630 32.002 1.00 54.27 O ATOM 510 NE2 GLN A 198 -9.842 -4.039 31.278 1.00 59.33 N ATOM 511 HE22 GLN A 198 -10.127 -3.407 30.503 1.00 0.00 H ATOM 512 HE21 GLN A 198 -10.365 -4.028 32.177 1.00 0.00 H ATOM 513 H GLN A 198 -7.308 -3.656 27.150 1.00 0.00 H ATOM 514 N MET A 199 -9.994 -6.362 25.611 1.00 35.89 N ATOM 515 CA MET A 199 -10.941 -6.306 24.508 1.00 38.90 C ATOM 516 C MET A 199 -12.027 -7.360 24.687 1.00 37.52 C ATOM 517 O MET A 199 -11.903 -8.290 25.489 1.00 39.53 O ATOM 518 CB MET A 199 -10.229 -6.508 23.159 1.00 43.27 C ATOM 519 CG MET A 199 -8.934 -5.710 23.003 1.00 41.11 C ATOM 520 SD MET A 199 -8.702 -5.051 21.347 1.00 54.23 S ATOM 521 CE MET A 199 -8.354 -6.574 20.510 1.00 39.50 C ATOM 522 H MET A 199 -9.633 -7.285 25.926 1.00 0.00 H ATOM 523 N ASN A 200 -13.075 -7.240 23.879 1.00 41.54 N ATOM 524 CA ASN A 200 -14.173 -8.194 23.851 1.00 41.09 C ATOM 525 C ASN A 200 -14.079 -9.039 22.589 1.00 40.48 C ATOM 526 O ASN A 200 -13.378 -8.692 21.633 1.00 40.01 O ATOM 527 CB ASN A 200 -15.535 -7.503 23.933 1.00 41.59 C ATOM 528 CG ASN A 200 -15.653 -6.344 22.990 1.00 43.85 C ATOM 529 OD1 ASN A 200 -15.113 -5.272 23.247 1.00 48.75 O ATOM 530 ND2 ASN A 200 -16.374 -6.540 21.894 1.00 51.16 N ATOM 531 HD22 ASN A 200 -16.813 -7.467 21.719 1.00 0.00 H ATOM 532 HD21 ASN A 200 -16.501 -5.767 21.210 1.00 0.00 H ATOM 533 H ASN A 200 -13.112 -6.424 23.235 1.00 0.00 H ATOM 534 N SER A 201 -14.798 -10.164 22.609 1.00 41.74 N ATOM 535 CA SER A 201 -14.733 -11.140 21.526 1.00 42.20 C ATOM 536 C SER A 201 -14.937 -10.535 20.145 1.00 42.72 C ATOM 537 O SER A 201 -14.474 -11.115 19.156 1.00 42.55 O ATOM 538 CB SER A 201 -15.769 -12.240 21.764 1.00 39.68 C ATOM 539 OG SER A 201 -15.530 -12.894 22.995 1.00 44.74 O ATOM 540 HG SER A 201 -16.210 -13.601 23.129 1.00 0.00 H ATOM 541 H SER A 201 -15.422 -10.350 23.420 1.00 0.00 H ATOM 542 N ARG A 202 -15.599 -9.381 20.050 1.00 41.94 N ATOM 543 CA ARG A 202 -15.835 -8.777 18.744 1.00 41.36 C ATOM 544 C ARG A 202 -14.547 -8.262 18.120 1.00 42.96 C ATOM 545 O ARG A 202 -14.419 -8.243 16.891 1.00 41.56 O ATOM 546 CB ARG A 202 -16.847 -7.642 18.871 1.00 44.09 C ATOM 547 CG ARG A 202 -17.873 -7.608 17.761 1.00 50.07 C ATOM 548 CD ARG A 202 -18.773 -6.395 17.896 1.00 51.14 C ATOM 549 NE ARG A 202 -18.102 -5.156 17.511 1.00 51.09 N ATOM 550 CZ ARG A 202 -18.145 -4.640 16.286 1.00 54.01 C ATOM 551 NH1 ARG A 202 -17.509 -3.506 16.018 1.00 56.10 N ATOM 552 NH2 ARG A 202 -18.822 -5.262 15.327 1.00 54.22 N ATOM 553 HE ARG A 202 -17.559 -4.647 18.238 1.00 0.00 H ATOM 554 HH12 ARG A 202 -17.544 -3.104 15.059 1.00 0.00 H ATOM 555 HH11 ARG A 202 -16.976 -3.019 16.767 1.00 0.00 H ATOM 556 HH22 ARG A 202 -18.856 -4.859 14.369 1.00 0.00 H ATOM 557 HH21 ARG A 202 -19.318 -6.152 15.534 1.00 0.00 H ATOM 558 H ARG A 202 -15.948 -8.911 20.910 1.00 0.00 H ATOM 559 N ASP A 203 -13.589 -7.842 18.943 1.00 43.22 N ATOM 560 CA ASP A 203 -12.335 -7.277 18.469 1.00 40.69 C ATOM 561 C ASP A 203 -11.185 -8.276 18.503 1.00 37.24 C ATOM 562 O ASP A 203 -10.026 -7.877 18.354 1.00 35.82 O ATOM 563 CB ASP A 203 -11.985 -6.029 19.280 1.00 40.60 C ATOM 564 CG ASP A 203 -12.984 -4.906 19.074 1.00 43.52 C ATOM 565 OD1 ASP A 203 -13.763 -4.978 18.102 1.00 40.18 O ATOM 566 OD2 ASP A 203 -13.003 -3.962 19.893 1.00 53.92 O ATOM 567 H ASP A 203 -13.743 -7.921 19.968 1.00 0.00 H ATOM 568 N VAL A 204 -11.473 -9.561 18.681 1.00 34.56 N ATOM 569 CA VAL A 204 -10.462 -10.609 18.606 1.00 36.03 C ATOM 570 C VAL A 204 -11.010 -11.700 17.698 1.00 32.45 C ATOM 571 O VAL A 204 -12.167 -12.108 17.842 1.00 35.06 O ATOM 572 CB VAL A 204 -10.108 -11.178 19.996 1.00 37.54 C ATOM 573 CG1 VAL A 204 -9.118 -12.329 19.867 1.00 31.33 C ATOM 574 CG2 VAL A 204 -9.549 -10.090 20.902 1.00 37.44 C ATOM 575 H VAL A 204 -12.458 -9.830 18.882 1.00 0.00 H ATOM 576 N ARG A 205 -10.181 -12.180 16.777 1.00 31.60 N ATOM 577 CA ARG A 205 -10.604 -13.215 15.841 1.00 33.17 C ATOM 578 C ARG A 205 -9.370 -13.949 15.339 1.00 31.55 C ATOM 579 O ARG A 205 -8.237 -13.500 15.528 1.00 30.83 O ATOM 580 CB ARG A 205 -11.416 -12.609 14.691 1.00 27.45 C ATOM 581 CG ARG A 205 -10.589 -11.805 13.710 1.00 30.71 C ATOM 582 CD ARG A 205 -11.422 -11.352 12.528 1.00 34.24 C ATOM 583 NE ARG A 205 -10.692 -10.425 11.669 1.00 30.07 N ATOM 584 CZ ARG A 205 -11.281 -9.513 10.904 1.00 33.22 C ATOM 585 NH1 ARG A 205 -10.554 -8.700 10.148 1.00 33.30 N ATOM 586 NH2 ARG A 205 -12.602 -9.402 10.918 1.00 33.19 N ATOM 587 HE ARG A 205 -9.654 -10.482 11.655 1.00 0.00 H ATOM 588 HH12 ARG A 205 -11.022 -7.988 9.551 1.00 0.00 H ATOM 589 HH11 ARG A 205 -9.517 -8.775 10.152 1.00 0.00 H ATOM 590 HH22 ARG A 205 -13.070 -8.690 10.322 1.00 0.00 H ATOM 591 HH21 ARG A 205 -13.170 -10.027 11.525 1.00 0.00 H ATOM 592 H ARG A 205 -9.211 -11.810 16.723 1.00 0.00 H ATOM 593 N ALA A 206 -9.611 -15.100 14.714 1.00 29.78 N ATOM 594 CA ALA A 206 -8.529 -15.910 14.171 1.00 31.34 C ATOM 595 C ALA A 206 -7.702 -15.111 13.168 1.00 30.31 C ATOM 596 O ALA A 206 -8.213 -14.248 12.451 1.00 33.28 O ATOM 597 CB ALA A 206 -9.087 -17.170 13.510 1.00 29.77 C ATOM 598 H ALA A 206 -10.593 -15.428 14.611 1.00 0.00 H ATOM 599 N ARG A 207 -6.405 -15.407 13.134 1.00 28.88 N ATOM 600 CA ARG A 207 -5.464 -14.643 12.326 1.00 34.04 C ATOM 601 C ARG A 207 -5.688 -14.901 10.834 1.00 35.24 C ATOM 602 O ARG A 207 -5.948 -16.032 10.412 1.00 32.66 O ATOM 603 CB ARG A 207 -4.035 -15.019 12.738 1.00 32.33 C ATOM 604 CG ARG A 207 -2.919 -14.436 11.891 1.00 35.53 C ATOM 605 CD ARG A 207 -2.355 -13.188 12.539 1.00 35.42 C ATOM 606 NE ARG A 207 -2.039 -13.401 13.951 1.00 40.51 N ATOM 607 CZ ARG A 207 -0.825 -13.677 14.417 1.00 38.23 C ATOM 608 NH1 ARG A 207 -0.634 -13.856 15.717 1.00 40.36 N ATOM 609 NH2 ARG A 207 0.201 -13.758 13.586 1.00 38.18 N ATOM 610 HE ARG A 207 -2.817 -13.332 14.637 1.00 0.00 H ATOM 611 HH12 ARG A 207 0.317 -14.072 16.078 1.00 0.00 H ATOM 612 HH11 ARG A 207 -1.435 -13.781 16.376 1.00 0.00 H ATOM 613 HH22 ARG A 207 1.150 -13.974 13.951 1.00 0.00 H ATOM 614 HH21 ARG A 207 0.058 -13.606 12.567 1.00 0.00 H ATOM 615 H ARG A 207 -6.054 -16.206 13.700 1.00 0.00 H ATOM 616 N ALA A 208 -5.603 -13.838 10.033 1.00 32.80 N ATOM 617 CA ALA A 208 -5.865 -13.957 8.603 1.00 35.12 C ATOM 618 C ALA A 208 -4.791 -14.819 7.954 1.00 37.48 C ATOM 619 O ALA A 208 -3.597 -14.526 8.071 1.00 38.82 O ATOM 620 CB ALA A 208 -5.909 -12.580 7.949 1.00 27.24 C ATOM 621 H ALA A 208 -5.347 -12.913 10.433 1.00 0.00 H ATOM 622 N ARG A 209 -5.210 -15.891 7.289 1.00 35.96 N ATOM 623 CA ARG A 209 -4.282 -16.821 6.666 1.00 37.81 C ATOM 624 C ARG A 209 -4.472 -16.987 5.164 1.00 39.06 C ATOM 625 O ARG A 209 -3.510 -17.323 4.470 1.00 32.06 O ATOM 626 CB ARG A 209 -4.383 -18.196 7.346 1.00 34.89 C ATOM 627 CG ARG A 209 -5.803 -18.711 7.478 1.00 38.63 C ATOM 628 CD ARG A 209 -5.874 -19.934 8.383 1.00 43.77 C ATOM 629 NE ARG A 209 -5.473 -19.637 9.757 1.00 46.05 N ATOM 630 CZ ARG A 209 -5.406 -20.542 10.729 1.00 43.35 C ATOM 631 HE ARG A 209 -5.224 -18.654 9.989 1.00 0.00 H ATOM 632 H ARG A 209 -6.232 -16.070 7.212 1.00 0.00 H ATOM 633 N THR A 210 -5.671 -16.761 4.640 1.00 38.71 N ATOM 634 CA THR A 210 -6.006 -17.120 3.268 1.00 35.92 C ATOM 635 C THR A 210 -6.120 -15.865 2.416 1.00 35.59 C ATOM 636 O THR A 210 -6.937 -14.983 2.703 1.00 37.10 O ATOM 637 CB THR A 210 -7.310 -17.915 3.218 1.00 37.84 C ATOM 638 OG1 THR A 210 -7.145 -19.145 3.934 1.00 46.78 O ATOM 639 CG2 THR A 210 -7.694 -18.218 1.783 1.00 34.46 C ATOM 640 HG1 THR A 210 -7.990 -19.660 3.902 1.00 0.00 H ATOM 641 H THR A 210 -6.399 -16.311 5.231 1.00 0.00 H ATOM 642 N ILE A 211 -5.321 -15.799 1.368 1.00 34.06 N ATOM 643 CA ILE A 211 -5.395 -14.711 0.404 1.00 33.99 C ATOM 644 C ILE A 211 -6.409 -15.086 -0.667 1.00 34.20 C ATOM 645 O ILE A 211 -6.450 -16.231 -1.136 1.00 34.75 O ATOM 646 CB ILE A 211 -4.008 -14.423 -0.206 1.00 33.50 C ATOM 647 CG1 ILE A 211 -3.072 -13.818 0.843 1.00 34.68 C ATOM 648 CG2 ILE A 211 -4.125 -13.500 -1.416 1.00 33.51 C ATOM 649 CD1 ILE A 211 -3.241 -12.325 1.027 1.00 34.32 C ATOM 650 H ILE A 211 -4.615 -16.549 1.226 1.00 0.00 H ATOM 651 N ILE A 212 -7.241 -14.125 -1.046 1.00 31.73 N ATOM 652 CA ILE A 212 -8.180 -14.293 -2.145 1.00 31.57 C ATOM 653 C ILE A 212 -7.497 -13.774 -3.403 1.00 31.02 C ATOM 654 O ILE A 212 -7.174 -12.584 -3.490 1.00 32.09 O ATOM 655 CB ILE A 212 -9.491 -13.542 -1.875 1.00 34.77 C ATOM 656 CG1 ILE A 212 -10.056 -13.927 -0.507 1.00 35.79 C ATOM 657 CG2 ILE A 212 -10.509 -13.814 -2.980 1.00 34.91 C ATOM 658 CD1 ILE A 212 -11.212 -13.055 -0.049 1.00 33.39 C ATOM 659 H ILE A 212 -7.222 -13.217 -0.539 1.00 0.00 H ATOM 660 N LYS A 213 -7.250 -14.668 -4.362 1.00 34.93 N ATOM 661 CA LYS A 213 -6.585 -14.276 -5.602 1.00 37.01 C ATOM 662 C LYS A 213 -7.370 -13.181 -6.313 1.00 35.94 C ATOM 663 O LYS A 213 -8.590 -13.063 -6.163 1.00 39.51 O ATOM 664 CB LYS A 213 -6.431 -15.479 -6.536 1.00 33.67 C ATOM 665 CG LYS A 213 -5.771 -16.693 -5.905 1.00 32.77 C ATOM 666 H LYS A 213 -7.535 -15.659 -4.225 1.00 0.00 H ATOM 667 N TRP A 214 -6.654 -12.385 -7.115 1.00 37.84 N ATOM 668 CA TRP A 214 -7.285 -11.277 -7.829 1.00 37.67 C ATOM 669 C TRP A 214 -8.478 -11.752 -8.649 1.00 36.58 C ATOM 670 O TRP A 214 -9.566 -11.167 -8.585 1.00 37.01 O ATOM 671 CB TRP A 214 -6.266 -10.575 -8.727 1.00 39.20 C ATOM 672 CG TRP A 214 -6.905 -9.725 -9.787 1.00 40.43 C ATOM 673 CD1 TRP A 214 -7.104 -10.054 -11.099 1.00 38.23 C ATOM 674 CD2 TRP A 214 -7.444 -8.407 -9.621 1.00 40.93 C ATOM 675 NE1 TRP A 214 -7.730 -9.022 -11.759 1.00 36.31 N ATOM 676 CE2 TRP A 214 -7.948 -7.998 -10.876 1.00 40.54 C ATOM 677 CE3 TRP A 214 -7.547 -7.532 -8.535 1.00 36.05 C ATOM 678 CZ2 TRP A 214 -8.546 -6.752 -11.073 1.00 39.49 C ATOM 679 CZ3 TRP A 214 -8.144 -6.297 -8.731 1.00 37.85 C ATOM 680 CH2 TRP A 214 -8.633 -5.917 -9.990 1.00 40.01 C ATOM 681 HE1 TRP A 214 -7.995 -9.020 -12.765 1.00 0.00 H ATOM 682 H TRP A 214 -5.635 -12.557 -7.232 1.00 0.00 H ATOM 683 N GLN A 215 -8.292 -12.828 -9.419 1.00 38.15 N ATOM 684 CA GLN A 215 -9.362 -13.346 -10.267 1.00 39.88 C ATOM 685 C GLN A 215 -10.601 -13.751 -9.474 1.00 42.17 C ATOM 686 O GLN A 215 -11.697 -13.813 -10.047 1.00 35.87 O ATOM 687 CB GLN A 215 -8.855 -14.546 -11.069 1.00 37.65 C ATOM 688 H GLN A 215 -7.368 -13.305 -9.414 1.00 0.00 H ATOM 689 N ASP A 216 -10.463 -14.010 -8.173 1.00 40.80 N ATOM 690 CA ASP A 216 -11.569 -14.504 -7.369 1.00 38.09 C ATOM 691 C ASP A 216 -12.203 -13.427 -6.495 1.00 38.56 C ATOM 692 O ASP A 216 -13.061 -13.745 -5.665 1.00 38.98 O ATOM 693 CB ASP A 216 -11.091 -15.674 -6.510 1.00 41.08 C ATOM 694 CG ASP A 216 -10.952 -16.956 -7.311 1.00 50.29 C ATOM 695 OD1 ASP A 216 -11.516 -17.013 -8.425 1.00 49.97 O ATOM 696 OD2 ASP A 216 -10.288 -17.904 -6.834 1.00 53.11 O ATOM 697 H ASP A 216 -9.539 -13.854 -7.721 1.00 0.00 H ATOM 698 N LEU A 217 -11.843 -12.162 -6.694 1.00 39.23 N ATOM 699 CA LEU A 217 -12.444 -11.056 -5.957 1.00 39.20 C ATOM 700 C LEU A 217 -13.729 -10.596 -6.639 1.00 43.51 C ATOM 701 O LEU A 217 -13.762 -10.408 -7.861 1.00 36.58 O ATOM 702 CB LEU A 217 -11.460 -9.892 -5.840 1.00 38.27 C ATOM 703 CG LEU A 217 -10.248 -10.137 -4.940 1.00 37.81 C ATOM 704 CD1 LEU A 217 -9.227 -9.027 -5.120 1.00 36.32 C ATOM 705 CD2 LEU A 217 -10.677 -10.246 -3.478 1.00 36.64 C ATOM 706 H LEU A 217 -11.108 -11.954 -7.399 1.00 0.00 H ATOM 707 N GLU A 218 -14.780 -10.413 -5.843 1.00 41.14 N ATOM 708 CA GLU A 218 -16.086 -10.018 -6.345 1.00 38.88 C ATOM 709 C GLU A 218 -16.557 -8.739 -5.666 1.00 40.01 C ATOM 710 O GLU A 218 -16.190 -8.444 -4.524 1.00 40.94 O ATOM 711 CB GLU A 218 -17.132 -11.114 -6.107 1.00 40.09 C ATOM 712 CG GLU A 218 -16.894 -12.397 -6.868 1.00 39.75 C ATOM 713 CD GLU A 218 -18.029 -13.387 -6.684 1.00 43.08 C ATOM 714 H GLU A 218 -14.662 -10.559 -4.820 1.00 0.00 H ATOM 715 N VAL A 219 -17.406 -7.994 -6.371 1.00 41.78 N ATOM 716 CA VAL A 219 -17.987 -6.792 -5.797 1.00 38.85 C ATOM 717 C VAL A 219 -19.035 -7.196 -4.773 1.00 41.87 C ATOM 718 O VAL A 219 -19.966 -7.952 -5.080 1.00 43.42 O ATOM 719 CB VAL A 219 -18.595 -5.904 -6.891 1.00 42.43 C ATOM 720 CG1 VAL A 219 -19.371 -4.766 -6.262 1.00 40.47 C ATOM 721 CG2 VAL A 219 -17.505 -5.368 -7.804 1.00 44.00 C ATOM 722 H VAL A 219 -17.655 -8.275 -7.341 1.00 0.00 H ATOM 723 N GLY A 220 -18.889 -6.695 -3.550 1.00 39.03 N ATOM 724 CA GLY A 220 -19.787 -7.027 -2.466 1.00 39.54 C ATOM 725 C GLY A 220 -19.177 -7.887 -1.385 1.00 38.22 C ATOM 726 O GLY A 220 -19.768 -7.994 -0.302 1.00 40.85 O ATOM 727 H GLY A 220 -18.101 -6.041 -3.366 1.00 0.00 H ATOM 728 N GLN A 221 -18.026 -8.509 -1.636 1.00 35.83 N ATOM 729 CA GLN A 221 -17.366 -9.288 -0.599 1.00 35.30 C ATOM 730 C GLN A 221 -16.804 -8.375 0.475 1.00 33.68 C ATOM 731 O GLN A 221 -16.305 -7.283 0.186 1.00 29.74 O ATOM 732 CB GLN A 221 -16.231 -10.134 -1.170 1.00 31.87 C ATOM 733 CG GLN A 221 -16.590 -10.996 -2.342 1.00 37.97 C ATOM 734 CD GLN A 221 -15.385 -11.742 -2.865 1.00 40.09 C ATOM 735 OE1 GLN A 221 -14.343 -11.144 -3.121 1.00 41.72 O ATOM 736 NE2 GLN A 221 -15.514 -13.057 -3.018 1.00 38.67 N ATOM 737 HE22 GLN A 221 -16.416 -13.521 -2.788 1.00 0.00 H ATOM 738 HE21 GLN A 221 -14.713 -13.621 -3.367 1.00 0.00 H ATOM 739 H GLN A 221 -17.596 -8.437 -2.580 1.00 0.00 H ATOM 740 N VAL A 222 -16.869 -8.837 1.720 1.00 30.26 N ATOM 741 CA VAL A 222 -16.248 -8.145 2.840 1.00 28.92 C ATOM 742 C VAL A 222 -14.929 -8.845 3.131 1.00 28.35 C ATOM 743 O VAL A 222 -14.883 -10.068 3.306 1.00 31.34 O ATOM 744 CB VAL A 222 -17.171 -8.095 4.069 1.00 32.92 C ATOM 745 CG1 VAL A 222 -18.494 -7.442 3.693 1.00 36.20 C ATOM 746 CG2 VAL A 222 -17.435 -9.487 4.628 1.00 37.90 C ATOM 747 H VAL A 222 -17.381 -9.724 1.900 1.00 0.00 H ATOM 748 N VAL A 223 -13.838 -8.085 3.074 1.00 30.05 N ATOM 749 CA VAL A 223 -12.486 -8.628 3.123 1.00 31.33 C ATOM 750 C VAL A 223 -11.637 -7.749 4.033 1.00 29.59 C ATOM 751 O VAL A 223 -12.042 -6.659 4.436 1.00 27.78 O ATOM 752 CB VAL A 223 -11.843 -8.725 1.722 1.00 31.85 C ATOM 753 CG1 VAL A 223 -12.610 -9.692 0.832 1.00 29.77 C ATOM 754 CG2 VAL A 223 -11.808 -7.351 1.075 1.00 31.01 C ATOM 755 H VAL A 223 -13.956 -7.055 2.991 1.00 0.00 H ATOM 756 N MET A 224 -10.441 -8.240 4.355 1.00 33.30 N ATOM 757 CA MET A 224 -9.435 -7.469 5.080 1.00 32.06 C ATOM 758 C MET A 224 -8.322 -7.117 4.099 1.00 32.37 C ATOM 759 O MET A 224 -7.646 -8.009 3.572 1.00 31.87 O ATOM 760 CB MET A 224 -8.885 -8.241 6.278 1.00 29.40 C ATOM 761 CG MET A 224 -8.097 -7.372 7.244 1.00 29.62 C ATOM 762 SD MET A 224 -7.374 -8.306 8.604 1.00 31.11 S ATOM 763 CE MET A 224 -5.958 -9.054 7.791 1.00 31.06 C ATOM 764 H MET A 224 -10.214 -9.216 4.078 1.00 0.00 H ATOM 765 N LEU A 225 -8.156 -5.826 3.826 1.00 31.57 N ATOM 766 CA LEU A 225 -7.147 -5.361 2.887 1.00 34.74 C ATOM 767 C LEU A 225 -6.333 -4.245 3.526 1.00 34.21 C ATOM 768 O LEU A 225 -6.654 -3.745 4.608 1.00 33.94 O ATOM 769 CB LEU A 225 -7.779 -4.901 1.563 1.00 32.47 C ATOM 770 CG LEU A 225 -9.071 -4.080 1.629 1.00 32.38 C ATOM 771 CD1 LEU A 225 -8.814 -2.657 2.104 1.00 33.61 C ATOM 772 CD2 LEU A 225 -9.791 -4.082 0.287 1.00 32.16 C ATOM 773 H LEU A 225 -8.766 -5.128 4.298 1.00 0.00 H ATOM 774 N ASN A 226 -5.274 -3.849 2.831 1.00 34.63 N ATOM 775 CA ASN A 226 -4.345 -2.839 3.313 1.00 35.11 C ATOM 776 C ASN A 226 -4.683 -1.492 2.690 1.00 35.72 C ATOM 777 O ASN A 226 -4.912 -1.403 1.479 1.00 32.74 O ATOM 778 CB ASN A 226 -2.904 -3.224 2.984 1.00 36.49 C ATOM 779 CG ASN A 226 -1.898 -2.377 3.725 1.00 38.37 C ATOM 780 OD1 ASN A 226 -1.617 -1.246 3.328 1.00 36.83 O ATOM 781 ND2 ASN A 226 -1.349 -2.917 4.812 1.00 37.07 N ATOM 782 HD22 ASN A 226 -1.618 -3.877 5.108 1.00 0.00 H ATOM 783 HD21 ASN A 226 -0.651 -2.379 5.364 1.00 0.00 H ATOM 784 H ASN A 226 -5.101 -4.280 1.900 1.00 0.00 H ATOM 785 N TYR A 227 -4.708 -0.451 3.520 1.00 36.56 N ATOM 786 CA TYR A 227 -5.036 0.892 3.065 1.00 34.12 C ATOM 787 C TYR A 227 -4.424 1.897 4.025 1.00 38.33 C ATOM 788 O TYR A 227 -4.312 1.638 5.225 1.00 37.85 O ATOM 789 CB TYR A 227 -6.551 1.097 2.982 1.00 34.51 C ATOM 790 CG TYR A 227 -6.958 2.431 2.407 1.00 37.68 C ATOM 791 CD1 TYR A 227 -6.701 2.737 1.077 1.00 36.83 C ATOM 792 CD2 TYR A 227 -7.608 3.382 3.189 1.00 37.41 C ATOM 793 CE1 TYR A 227 -7.072 3.952 0.537 1.00 39.30 C ATOM 794 CE2 TYR A 227 -7.987 4.605 2.658 1.00 39.26 C ATOM 795 CZ TYR A 227 -7.714 4.883 1.328 1.00 40.80 C ATOM 796 OH TYR A 227 -8.082 6.091 0.781 1.00 37.36 O ATOM 797 HH TYR A 227 -7.811 6.117 -0.171 1.00 0.00 H ATOM 798 H TYR A 227 -4.486 -0.602 4.525 1.00 0.00 H ATOM 799 N ASN A 228 -4.030 3.044 3.485 1.00 38.63 N ATOM 800 CA ASN A 228 -3.500 4.138 4.297 1.00 39.53 C ATOM 801 C ASN A 228 -4.391 5.351 4.087 1.00 40.63 C ATOM 802 O ASN A 228 -4.353 5.961 3.003 1.00 39.91 O ATOM 803 CB ASN A 228 -2.051 4.442 3.915 1.00 41.09 C ATOM 804 CG ASN A 228 -1.394 5.454 4.837 1.00 40.87 C ATOM 805 OD1 ASN A 228 -2.043 6.344 5.384 1.00 41.38 O ATOM 806 ND2 ASN A 228 -0.090 5.299 5.035 1.00 41.97 N ATOM 807 HD22 ASN A 228 0.422 4.533 4.553 1.00 0.00 H ATOM 808 HD21 ASN A 228 0.419 5.944 5.672 1.00 0.00 H ATOM 809 H ASN A 228 -4.100 3.168 2.455 1.00 0.00 H ATOM 810 N PRO A 229 -5.208 5.740 5.071 1.00 42.94 N ATOM 811 CA PRO A 229 -6.160 6.836 4.829 1.00 41.59 C ATOM 812 C PRO A 229 -5.496 8.183 4.603 1.00 45.76 C ATOM 813 O PRO A 229 -6.015 8.984 3.815 1.00 47.10 O ATOM 814 CB PRO A 229 -7.032 6.844 6.093 1.00 39.98 C ATOM 815 CG PRO A 229 -6.759 5.549 6.788 1.00 38.45 C ATOM 816 CD PRO A 229 -5.403 5.090 6.376 1.00 36.46 C ATOM 817 N ASP A 230 -4.360 8.453 5.246 1.00 46.77 N ATOM 818 CA ASP A 230 -3.692 9.744 5.145 1.00 47.24 C ATOM 819 C ASP A 230 -2.586 9.757 4.102 1.00 49.43 C ATOM 820 O ASP A 230 -1.913 10.781 3.940 1.00 50.45 O ATOM 821 CB ASP A 230 -3.121 10.152 6.506 1.00 48.21 C ATOM 822 CG ASP A 230 -4.178 10.197 7.587 1.00 51.29 C ATOM 823 OD1 ASP A 230 -5.262 10.768 7.336 1.00 53.14 O ATOM 824 OD2 ASP A 230 -3.927 9.662 8.685 1.00 54.70 O ATOM 825 H ASP A 230 -3.935 7.715 5.842 1.00 0.00 H ATOM 826 N ASN A 231 -2.384 8.648 3.401 1.00 49.45 N ATOM 827 CA ASN A 231 -1.443 8.524 2.297 1.00 46.40 C ATOM 828 C ASN A 231 -1.923 7.393 1.399 1.00 42.80 C ATOM 829 O ASN A 231 -1.290 6.330 1.349 1.00 41.96 O ATOM 830 CB ASN A 231 -0.028 8.252 2.807 1.00 46.18 C ATOM 831 CG ASN A 231 0.641 9.493 3.351 1.00 52.27 C ATOM 832 OD1 ASN A 231 0.864 10.458 2.622 1.00 55.48 O ATOM 833 ND2 ASN A 231 0.934 9.490 4.649 1.00 54.28 N ATOM 834 HD22 ASN A 231 0.727 8.650 5.227 1.00 0.00 H ATOM 835 HD21 ASN A 231 1.370 10.327 5.086 1.00 0.00 H ATOM 836 H ASN A 231 -2.938 7.807 3.659 1.00 0.00 H ATOM 837 N PRO A 232 -3.032 7.587 0.677 1.00 40.08 N ATOM 838 CA PRO A 232 -3.666 6.463 -0.035 1.00 39.97 C ATOM 839 C PRO A 232 -2.774 5.785 -1.059 1.00 42.94 C ATOM 840 O PRO A 232 -3.125 4.692 -1.521 1.00 43.23 O ATOM 841 CB PRO A 232 -4.879 7.117 -0.711 1.00 40.74 C ATOM 842 CG PRO A 232 -5.153 8.342 0.103 1.00 43.68 C ATOM 843 CD PRO A 232 -3.797 8.835 0.525 1.00 44.82 C ATOM 844 N LYS A 233 -1.639 6.379 -1.422 1.00 44.19 N ATOM 845 CA LYS A 233 -0.730 5.781 -2.387 1.00 45.68 C ATOM 846 C LYS A 233 0.382 4.981 -1.729 1.00 43.84 C ATOM 847 O LYS A 233 1.269 4.481 -2.427 1.00 45.89 O ATOM 848 CB LYS A 233 -0.125 6.861 -3.287 1.00 48.90 C ATOM 849 CG LYS A 233 -1.143 7.665 -4.077 1.00 47.22 C ATOM 850 H LYS A 233 -1.395 7.299 -1.003 1.00 0.00 H ATOM 851 N GLU A 234 0.339 4.815 -0.413 1.00 43.99 N ATOM 852 CA GLU A 234 1.402 4.148 0.318 1.00 43.23 C ATOM 853 C GLU A 234 0.847 2.957 1.087 1.00 42.09 C ATOM 854 O GLU A 234 -0.367 2.779 1.218 1.00 43.36 O ATOM 855 CB GLU A 234 2.089 5.137 1.270 1.00 42.48 C ATOM 856 CG GLU A 234 3.509 4.759 1.681 1.00 51.97 C ATOM 857 CD GLU A 234 4.237 3.941 0.617 1.00 55.57 C ATOM 858 OE1 GLU A 234 4.305 2.698 0.772 1.00 59.35 O ATOM 859 OE2 GLU A 234 4.729 4.545 -0.366 1.00 54.11 O ATOM 860 H GLU A 234 -0.483 5.175 0.112 1.00 0.00 H ATOM 861 N ARG A 235 1.763 2.135 1.595 1.00 42.43 N ATOM 862 CA ARG A 235 1.391 1.034 2.470 1.00 42.45 C ATOM 863 C ARG A 235 0.734 1.567 3.741 1.00 41.67 C ATOM 864 O ARG A 235 1.094 2.629 4.261 1.00 37.89 O ATOM 865 CB ARG A 235 2.629 0.198 2.798 1.00 40.09 C ATOM 866 CG ARG A 235 2.479 -0.768 3.949 1.00 38.67 C ATOM 867 CD ARG A 235 2.957 -2.142 3.544 1.00 42.93 C ATOM 868 NE ARG A 235 1.892 -2.919 2.919 1.00 43.43 N ATOM 869 CZ ARG A 235 2.093 -3.859 2.004 1.00 43.86 C ATOM 870 NH1 ARG A 235 1.062 -4.519 1.501 1.00 44.26 N ATOM 871 NH2 ARG A 235 3.322 -4.126 1.581 1.00 46.73 N ATOM 872 HE ARG A 235 0.913 -2.724 3.209 1.00 0.00 H ATOM 873 HH12 ARG A 235 1.216 -5.256 0.784 1.00 0.00 H ATOM 874 HH11 ARG A 235 0.098 -4.300 1.823 1.00 0.00 H ATOM 875 HH22 ARG A 235 3.476 -4.863 0.864 1.00 0.00 H ATOM 876 HH21 ARG A 235 4.131 -3.598 1.967 1.00 0.00 H ATOM 877 H ARG A 235 2.766 2.283 1.361 1.00 0.00 H ATOM 878 N GLY A 236 -0.232 0.810 4.251 1.00 37.84 N ATOM 879 CA GLY A 236 -0.983 1.251 5.406 1.00 37.91 C ATOM 880 C GLY A 236 -1.293 0.153 6.399 1.00 36.63 C ATOM 881 O GLY A 236 -0.428 -0.659 6.738 1.00 35.36 O ATOM 882 H GLY A 236 -0.450 -0.109 3.815 1.00 0.00 H ATOM 883 N PHE A 237 -2.536 0.116 6.860 1.00 37.93 N ATOM 884 CA PHE A 237 -2.983 -0.807 7.888 1.00 36.78 C ATOM 885 C PHE A 237 -4.074 -1.707 7.324 1.00 37.84 C ATOM 886 O PHE A 237 -4.588 -1.487 6.224 1.00 37.76 O ATOM 887 CB PHE A 237 -3.492 -0.027 9.105 1.00 36.37 C ATOM 888 CG PHE A 237 -2.571 1.081 9.530 1.00 37.70 C ATOM 889 CD1 PHE A 237 -1.475 0.819 10.336 1.00 36.05 C ATOM 890 CD2 PHE A 237 -2.781 2.382 9.089 1.00 36.40 C ATOM 891 CE1 PHE A 237 -0.622 1.839 10.720 1.00 40.04 C ATOM 892 CE2 PHE A 237 -1.930 3.407 9.466 1.00 33.89 C ATOM 893 CZ PHE A 237 -0.850 3.136 10.282 1.00 37.43 C ATOM 894 H PHE A 237 -3.228 0.784 6.464 1.00 0.00 H ATOM 895 N TRP A 238 -4.424 -2.738 8.085 1.00 36.28 N ATOM 896 CA TRP A 238 -5.383 -3.744 7.642 1.00 34.01 C ATOM 897 C TRP A 238 -6.760 -3.404 8.199 1.00 35.25 C ATOM 898 O TRP A 238 -6.978 -3.456 9.414 1.00 36.40 O ATOM 899 CB TRP A 238 -4.926 -5.137 8.063 1.00 35.70 C ATOM 900 CG TRP A 238 -3.595 -5.470 7.478 1.00 36.48 C ATOM 901 CD1 TRP A 238 -2.371 -5.281 8.055 1.00 34.90 C ATOM 902 CD2 TRP A 238 -3.348 -6.025 6.183 1.00 37.97 C ATOM 903 NE1 TRP A 238 -1.379 -5.696 7.202 1.00 37.52 N ATOM 904 CE2 TRP A 238 -1.951 -6.155 6.044 1.00 39.83 C ATOM 905 CE3 TRP A 238 -4.173 -6.431 5.128 1.00 36.21 C ATOM 906 CZ2 TRP A 238 -1.360 -6.674 4.890 1.00 38.22 C ATOM 907 CZ3 TRP A 238 -3.585 -6.945 3.985 1.00 33.68 C ATOM 908 CH2 TRP A 238 -2.193 -7.060 3.875 1.00 36.08 C ATOM 909 HE1 TRP A 238 -0.359 -5.667 7.402 1.00 0.00 H ATOM 910 H TRP A 238 -3.999 -2.831 9.030 1.00 0.00 H ATOM 911 N TYR A 239 -7.686 -3.064 7.308 1.00 32.65 N ATOM 912 CA TYR A 239 -9.057 -2.760 7.676 1.00 32.25 C ATOM 913 C TYR A 239 -9.997 -3.740 6.994 1.00 32.08 C ATOM 914 O TYR A 239 -9.674 -4.321 5.955 1.00 34.57 O ATOM 915 CB TYR A 239 -9.454 -1.333 7.271 1.00 32.34 C ATOM 916 CG TYR A 239 -8.529 -0.235 7.747 1.00 32.92 C ATOM 917 CD1 TYR A 239 -7.478 0.202 6.961 1.00 30.04 C ATOM 918 CD2 TYR A 239 -8.721 0.375 8.979 1.00 36.17 C ATOM 919 CE1 TYR A 239 -6.638 1.210 7.389 1.00 33.06 C ATOM 920 CE2 TYR A 239 -7.887 1.385 9.415 1.00 34.76 C ATOM 921 CZ TYR A 239 -6.850 1.800 8.616 1.00 32.96 C ATOM 922 OH TYR A 239 -6.018 2.805 9.049 1.00 33.05 O ATOM 923 HH TYR A 239 -5.329 2.982 8.360 1.00 0.00 H ATOM 924 H TYR A 239 -7.417 -3.014 6.305 1.00 0.00 H ATOM 925 N ASP A 240 -11.177 -3.907 7.582 1.00 32.43 N ATOM 926 CA ASP A 240 -12.244 -4.631 6.912 1.00 27.99 C ATOM 927 C ASP A 240 -12.919 -3.690 5.927 1.00 32.25 C ATOM 928 O ASP A 240 -13.179 -2.524 6.240 1.00 30.72 O ATOM 929 CB ASP A 240 -13.259 -5.170 7.919 1.00 30.65 C ATOM 930 CG ASP A 240 -12.740 -6.376 8.692 1.00 36.17 C ATOM 931 OD1 ASP A 240 -11.670 -6.908 8.323 1.00 32.11 O ATOM 932 OD2 ASP A 240 -13.404 -6.789 9.674 1.00 36.22 O ATOM 933 H ASP A 240 -11.339 -3.515 8.532 1.00 0.00 H ATOM 934 N ALA A 241 -13.173 -4.189 4.720 1.00 31.39 N ATOM 935 CA ALA A 241 -13.753 -3.362 3.673 1.00 32.79 C ATOM 936 C ALA A 241 -14.682 -4.205 2.815 1.00 31.87 C ATOM 937 O ALA A 241 -14.598 -5.435 2.795 1.00 29.88 O ATOM 938 CB ALA A 241 -12.669 -2.710 2.810 1.00 31.43 C ATOM 939 H ALA A 241 -12.953 -5.186 4.522 1.00 0.00 H ATOM 940 N GLU A 242 -15.568 -3.530 2.095 1.00 31.61 N ATOM 941 CA GLU A 242 -16.471 -4.193 1.168 1.00 34.22 C ATOM 942 C GLU A 242 -16.118 -3.742 -0.241 1.00 38.10 C ATOM 943 O GLU A 242 -16.145 -2.542 -0.539 1.00 37.77 O ATOM 944 CB GLU A 242 -17.928 -3.869 1.487 1.00 36.99 C ATOM 945 CG GLU A 242 -18.864 -3.961 0.282 1.00 40.55 C ATOM 946 CD GLU A 242 -20.278 -3.473 0.587 1.00 44.68 C ATOM 947 OE1 GLU A 242 -20.436 -2.587 1.460 1.00 44.53 O ATOM 948 OE2 GLU A 242 -21.222 -3.996 -0.042 1.00 45.71 O ATOM 949 H GLU A 242 -15.618 -2.496 2.196 1.00 0.00 H ATOM 950 N ILE A 243 -15.775 -4.706 -1.098 1.00 34.60 N ATOM 951 CA ILE A 243 -15.347 -4.374 -2.447 1.00 35.29 C ATOM 952 C ILE A 243 -16.508 -3.731 -3.182 1.00 37.75 C ATOM 953 O ILE A 243 -17.618 -4.277 -3.232 1.00 39.85 O ATOM 954 CB ILE A 243 -14.844 -5.624 -3.180 1.00 34.93 C ATOM 955 CG1 ILE A 243 -13.603 -6.184 -2.489 1.00 32.99 C ATOM 956 CG2 ILE A 243 -14.541 -5.291 -4.630 1.00 36.20 C ATOM 957 CD1 ILE A 243 -12.980 -7.349 -3.213 1.00 33.24 C ATOM 958 H ILE A 243 -15.814 -5.701 -0.799 1.00 0.00 H ATOM 959 N SER A 244 -16.260 -2.558 -3.750 1.00 35.32 N ATOM 960 CA SER A 244 -17.301 -1.808 -4.434 1.00 38.05 C ATOM 961 C SER A 244 -17.133 -1.789 -5.942 1.00 42.01 C ATOM 962 O SER A 244 -18.132 -1.808 -6.665 1.00 42.79 O ATOM 963 CB SER A 244 -17.338 -0.367 -3.915 1.00 40.84 C ATOM 964 OG SER A 244 -16.098 0.276 -4.140 1.00 41.50 O ATOM 965 HG SER A 244 -16.142 1.204 -3.798 1.00 0.00 H ATOM 966 H SER A 244 -15.298 -2.166 -3.705 1.00 0.00 H ATOM 967 N ARG A 245 -15.895 -1.741 -6.438 1.00 41.30 N ATOM 968 CA ARG A 245 -15.640 -1.702 -7.871 1.00 40.19 C ATOM 969 C ARG A 245 -14.359 -2.455 -8.201 1.00 42.34 C ATOM 970 O ARG A 245 -13.352 -2.332 -7.498 1.00 41.03 O ATOM 971 CB ARG A 245 -15.546 -0.261 -8.388 1.00 42.50 C ATOM 972 CG ARG A 245 -16.644 0.663 -7.886 1.00 43.15 C ATOM 973 CD ARG A 245 -16.142 2.074 -7.684 1.00 46.10 C ATOM 974 NE ARG A 245 -15.778 2.635 -8.962 1.00 50.15 N ATOM 975 CZ ARG A 245 -15.327 3.871 -9.115 1.00 52.38 C ATOM 976 NH1 ARG A 245 -15.179 4.669 -8.055 1.00 49.31 N ATOM 977 NH2 ARG A 245 -15.012 4.312 -10.329 1.00 54.50 N ATOM 978 HE ARG A 245 -15.875 2.038 -9.808 1.00 0.00 H ATOM 979 HH12 ARG A 245 -14.825 5.639 -8.180 1.00 0.00 H ATOM 980 HH11 ARG A 245 -15.418 4.321 -7.105 1.00 0.00 H ATOM 981 HH22 ARG A 245 -14.657 5.282 -10.454 1.00 0.00 H ATOM 982 HH21 ARG A 245 -15.120 3.687 -11.153 1.00 0.00 H ATOM 983 H ARG A 245 -15.088 -1.731 -5.782 1.00 0.00 H ATOM 984 N LYS A 246 -14.409 -3.215 -9.295 1.00 41.35 N ATOM 985 CA LYS A 246 -13.289 -3.995 -9.798 1.00 39.46 C ATOM 986 C LYS A 246 -13.173 -3.776 -11.299 1.00 42.61 C ATOM 987 O LYS A 246 -14.175 -3.817 -12.021 1.00 40.76 O ATOM 988 CB LYS A 246 -13.468 -5.489 -9.493 1.00 36.08 C ATOM 989 CG LYS A 246 -12.283 -6.358 -9.884 1.00 35.14 C ATOM 990 CD LYS A 246 -12.575 -7.832 -9.640 1.00 32.55 C ATOM 991 CE LYS A 246 -11.420 -8.710 -10.098 1.00 35.62 C ATOM 992 NZ LYS A 246 -11.718 -10.165 -9.950 1.00 39.20 N ATOM 993 HZ1 LYS A 246 -11.908 -10.379 -8.950 1.00 0.00 H ATOM 994 HZ2 LYS A 246 -12.552 -10.407 -10.522 1.00 0.00 H ATOM 995 HZ3 LYS A 246 -10.901 -10.720 -10.275 1.00 0.00 H ATOM 996 H LYS A 246 -15.305 -3.253 -9.822 1.00 0.00 H ATOM 997 N ARG A 247 -11.950 -3.540 -11.765 1.00 42.21 N ATOM 998 CA ARG A 247 -11.709 -3.308 -13.181 1.00 41.57 C ATOM 999 C ARG A 247 -10.377 -3.920 -13.586 1.00 41.49 C ATOM 1000 O ARG A 247 -9.399 -3.859 -12.833 1.00 41.64 O ATOM 1001 CB ARG A 247 -11.717 -1.808 -13.508 1.00 43.07 C ATOM 1002 CG ARG A 247 -11.374 -1.490 -14.955 1.00 46.43 C ATOM 1003 CD ARG A 247 -11.471 0.000 -15.261 1.00 50.10 C ATOM 1004 NE ARG A 247 -10.666 0.375 -16.424 1.00 48.80 N ATOM 1005 CZ ARG A 247 -9.569 1.122 -16.365 1.00 50.41 C ATOM 1006 NH1 ARG A 247 -9.148 1.581 -15.198 1.00 56.84 N ATOM 1007 NH2 ARG A 247 -8.896 1.418 -17.470 1.00 48.37 N ATOM 1008 HE ARG A 247 -10.973 0.035 -17.358 1.00 0.00 H ATOM 1009 HH12 ARG A 247 -8.290 2.166 -15.148 1.00 0.00 H ATOM 1010 HH11 ARG A 247 -9.675 1.357 -14.330 1.00 0.00 H ATOM 1011 HH22 ARG A 247 -8.038 2.003 -17.415 1.00 0.00 H ATOM 1012 HH21 ARG A 247 -9.227 1.065 -18.391 1.00 0.00 H ATOM 1013 H ARG A 247 -11.148 -3.521 -11.103 1.00 0.00 H ATOM 1014 N GLU A 248 -10.335 -4.477 -14.795 1.00 40.19 N ATOM 1015 CA GLU A 248 -9.128 -5.117 -15.287 1.00 43.26 C ATOM 1016 C GLU A 248 -8.962 -4.815 -16.767 1.00 42.88 C ATOM 1017 O GLU A 248 -9.912 -4.919 -17.549 1.00 39.28 O ATOM 1018 CB GLU A 248 -9.181 -6.638 -15.081 1.00 40.24 C ATOM 1019 CG GLU A 248 -7.889 -7.356 -15.464 1.00 44.54 C ATOM 1020 CD GLU A 248 -7.949 -8.854 -15.215 1.00 48.63 C ATOM 1021 OE1 GLU A 248 -6.894 -9.519 -15.316 1.00 48.46 O ATOM 1022 OE2 GLU A 248 -9.061 -9.373 -14.972 1.00 52.45 O ATOM 1023 H GLU A 248 -11.182 -4.453 -15.398 1.00 0.00 H ATOM 1024 N THR A 249 -7.744 -4.448 -17.143 1.00 43.19 N ATOM 1025 CA THR A 249 -7.364 -4.273 -18.532 1.00 46.20 C ATOM 1026 C THR A 249 -6.040 -4.989 -18.753 1.00 47.57 C ATOM 1027 O THR A 249 -5.450 -5.550 -17.823 1.00 49.93 O ATOM 1028 CB THR A 249 -7.279 -2.787 -18.911 1.00 46.83 C ATOM 1029 OG1 THR A 249 -6.564 -2.646 -20.144 1.00 56.35 O ATOM 1030 CG2 THR A 249 -6.587 -1.986 -17.827 1.00 49.55 C ATOM 1031 HG1 THR A 249 -6.511 -1.687 -20.386 1.00 0.00 H ATOM 1032 H THR A 249 -7.028 -4.278 -16.408 1.00 0.00 H ATOM 1033 N ARG A 250 -5.571 -4.974 -20.000 1.00 45.67 N ATOM 1034 CA ARG A 250 -4.269 -5.549 -20.300 1.00 43.16 C ATOM 1035 C ARG A 250 -3.156 -4.848 -19.531 1.00 45.40 C ATOM 1036 O ARG A 250 -2.085 -5.433 -19.340 1.00 44.61 O ATOM 1037 CB ARG A 250 -4.006 -5.484 -21.806 1.00 45.01 C ATOM 1038 CG ARG A 250 -2.893 -6.400 -22.298 1.00 45.57 C ATOM 1039 H ARG A 250 -6.138 -4.550 -20.762 1.00 0.00 H ATOM 1040 N THR A 251 -3.396 -3.625 -19.061 1.00 44.68 N ATOM 1041 CA THR A 251 -2.374 -2.818 -18.405 1.00 50.46 C ATOM 1042 C THR A 251 -2.563 -2.681 -16.900 1.00 52.23 C ATOM 1043 O THR A 251 -1.590 -2.801 -16.151 1.00 51.82 O ATOM 1044 CB THR A 251 -2.341 -1.410 -19.024 1.00 53.86 C ATOM 1045 OG1 THR A 251 -3.682 -0.947 -19.259 1.00 57.19 O ATOM 1046 CG2 THR A 251 -1.584 -1.417 -20.336 1.00 48.07 C ATOM 1047 HG1 THR A 251 -3.652 -0.041 -19.657 1.00 0.00 H ATOM 1048 H THR A 251 -4.352 -3.229 -19.166 1.00 0.00 H ATOM 1049 N ALA A 252 -3.794 -2.480 -16.431 1.00 48.54 N ATOM 1050 CA ALA A 252 -4.054 -2.049 -15.066 1.00 51.86 C ATOM 1051 C ALA A 252 -5.038 -2.985 -14.376 1.00 51.07 C ATOM 1052 O ALA A 252 -5.863 -3.637 -15.025 1.00 50.60 O ATOM 1053 CB ALA A 252 -4.598 -0.609 -15.036 1.00 52.26 C ATOM 1054 H ALA A 252 -4.602 -2.638 -17.067 1.00 0.00 H ATOM 1055 N ARG A 253 -4.924 -3.065 -13.049 1.00 49.61 N ATOM 1056 CA ARG A 253 -5.851 -3.840 -12.222 1.00 49.35 C ATOM 1057 C ARG A 253 -6.266 -2.935 -11.062 1.00 45.83 C ATOM 1058 O ARG A 253 -5.499 -2.767 -10.110 1.00 49.23 O ATOM 1059 CB ARG A 253 -5.209 -5.129 -11.712 1.00 44.04 C ATOM 1060 CG ARG A 253 -4.879 -6.119 -12.813 1.00 42.75 C ATOM 1061 CD ARG A 253 -3.664 -6.953 -12.436 1.00 43.53 C ATOM 1062 NE ARG A 253 -3.831 -7.543 -11.110 1.00 43.49 N ATOM 1063 CZ ARG A 253 -2.842 -7.873 -10.282 1.00 45.63 C ATOM 1064 NH1 ARG A 253 -1.576 -7.666 -10.615 1.00 47.65 N ATOM 1065 NH2 ARG A 253 -3.126 -8.418 -9.107 1.00 45.61 N ATOM 1066 HE ARG A 253 -4.803 -7.720 -10.786 1.00 0.00 H ATOM 1067 HH12 ARG A 253 -0.815 -7.930 -9.957 1.00 0.00 H ATOM 1068 HH11 ARG A 253 -1.343 -7.240 -11.535 1.00 0.00 H ATOM 1069 HH22 ARG A 253 -2.358 -8.678 -8.455 1.00 0.00 H ATOM 1070 HH21 ARG A 253 -4.116 -8.585 -8.837 1.00 0.00 H ATOM 1071 H ARG A 253 -4.145 -2.556 -12.583 1.00 0.00 H ATOM 1072 N GLU A 254 -7.473 -2.369 -11.112 1.00 40.56 N ATOM 1073 CA GLU A 254 -7.924 -1.436 -10.083 1.00 41.85 C ATOM 1074 C GLU A 254 -9.092 -1.995 -9.281 1.00 43.09 C ATOM 1075 O GLU A 254 -9.966 -2.690 -9.813 1.00 39.04 O ATOM 1076 CB GLU A 254 -8.338 -0.073 -10.655 1.00 46.50 C ATOM 1077 CG GLU A 254 -7.357 0.546 -11.648 1.00 52.64 C ATOM 1078 CD GLU A 254 -7.993 1.669 -12.462 1.00 57.98 C ATOM 1079 OE1 GLU A 254 -7.337 2.710 -12.714 1.00 63.02 O ATOM 1080 OE2 GLU A 254 -9.210 1.542 -12.721 1.00 62.67 O ATOM 1081 H GLU A 254 -8.108 -2.598 -11.903 1.00 0.00 H ATOM 1082 N LEU A 255 -9.092 -1.665 -7.992 1.00 43.35 N ATOM 1083 CA LEU A 255 -10.084 -2.148 -7.048 1.00 38.41 C ATOM 1084 C LEU A 255 -10.458 -1.033 -6.090 1.00 36.94 C ATOM 1085 O LEU A 255 -9.584 -0.410 -5.481 1.00 37.86 O ATOM 1086 CB LEU A 255 -9.543 -3.350 -6.265 1.00 40.22 C ATOM 1087 CG LEU A 255 -10.449 -4.008 -5.225 1.00 37.28 C ATOM 1088 CD1 LEU A 255 -11.236 -5.145 -5.855 1.00 40.04 C ATOM 1089 CD2 LEU A 255 -9.616 -4.528 -4.079 1.00 36.05 C ATOM 1090 H LEU A 255 -8.345 -1.030 -7.644 1.00 0.00 H ATOM 1091 N TYR A 256 -11.754 -0.817 -5.922 1.00 38.61 N ATOM 1092 CA TYR A 256 -12.262 0.167 -4.981 1.00 40.55 C ATOM 1093 C TYR A 256 -13.127 -0.526 -3.939 1.00 38.86 C ATOM 1094 O TYR A 256 -13.887 -1.446 -4.257 1.00 36.64 O ATOM 1095 CB TYR A 256 -13.059 1.275 -5.679 1.00 42.28 C ATOM 1096 CG TYR A 256 -12.246 2.160 -6.602 1.00 43.68 C ATOM 1097 CD1 TYR A 256 -11.913 1.751 -7.887 1.00 46.81 C ATOM 1098 CD2 TYR A 256 -11.823 3.417 -6.185 1.00 43.53 C ATOM 1099 CE1 TYR A 256 -11.175 2.569 -8.731 1.00 49.20 C ATOM 1100 CE2 TYR A 256 -11.087 4.239 -7.017 1.00 46.11 C ATOM 1101 CZ TYR A 256 -10.767 3.814 -8.289 1.00 50.75 C ATOM 1102 OH TYR A 256 -10.033 4.637 -9.114 1.00 51.90 O ATOM 1103 HH TYR A 256 -9.890 4.187 -9.984 1.00 0.00 H ATOM 1104 H TYR A 256 -12.432 -1.371 -6.483 1.00 0.00 H ATOM 1105 N ALA A 257 -12.998 -0.081 -2.690 1.00 38.94 N ATOM 1106 CA ALA A 257 -13.704 -0.699 -1.580 1.00 40.62 C ATOM 1107 C ALA A 257 -14.122 0.364 -0.580 1.00 40.04 C ATOM 1108 O ALA A 257 -13.565 1.464 -0.539 1.00 42.54 O ATOM 1109 CB ALA A 257 -12.849 -1.761 -0.876 1.00 37.20 C ATOM 1110 H ALA A 257 -12.375 0.731 -2.504 1.00 0.00 H ATOM 1111 N ASN A 258 -15.120 0.016 0.227 1.00 39.41 N ATOM 1112 CA ASN A 258 -15.599 0.865 1.310 1.00 40.32 C ATOM 1113 C ASN A 258 -14.890 0.426 2.586 1.00 35.51 C ATOM 1114 O ASN A 258 -15.159 -0.660 3.111 1.00 34.46 O ATOM 1115 CB ASN A 258 -17.115 0.770 1.450 1.00 40.72 C ATOM 1116 CG ASN A 258 -17.830 1.083 0.159 1.00 39.96 C ATOM 1117 OD1 ASN A 258 -17.394 1.938 -0.611 1.00 44.19 O ATOM 1118 ND2 ASN A 258 -18.941 0.400 -0.085 1.00 41.69 N ATOM 1119 HD22 ASN A 258 -19.272 -0.314 0.595 1.00 0.00 H ATOM 1120 HD21 ASN A 258 -19.480 0.579 -0.956 1.00 0.00 H ATOM 1121 H ASN A 258 -15.580 -0.905 0.078 1.00 0.00 H ATOM 1122 N VAL A 259 -13.959 1.247 3.053 1.00 34.45 N ATOM 1123 CA VAL A 259 -13.077 0.884 4.158 1.00 38.55 C ATOM 1124 C VAL A 259 -13.718 1.272 5.489 1.00 40.90 C ATOM 1125 O VAL A 259 -14.130 2.423 5.682 1.00 42.43 O ATOM 1126 CB VAL A 259 -11.702 1.548 3.994 1.00 36.97 C ATOM 1127 CG1 VAL A 259 -10.832 1.241 5.184 1.00 36.12 C ATOM 1128 CG2 VAL A 259 -11.040 1.076 2.709 1.00 40.25 C ATOM 1129 H VAL A 259 -13.853 2.185 2.616 1.00 0.00 H ATOM 1130 N VAL A 260 -13.816 0.310 6.404 1.00 37.66 N ATOM 1131 CA VAL A 260 -14.337 0.559 7.745 1.00 41.69 C ATOM 1132 C VAL A 260 -13.182 0.974 8.646 1.00 40.66 C ATOM 1133 O VAL A 260 -12.187 0.248 8.767 1.00 38.94 O ATOM 1134 CB VAL A 260 -15.046 -0.689 8.298 1.00 40.64 C ATOM 1135 CG1 VAL A 260 -15.809 -0.357 9.566 1.00 38.56 C ATOM 1136 CG2 VAL A 260 -15.983 -1.271 7.249 1.00 41.34 C ATOM 1137 H VAL A 260 -13.511 -0.652 6.155 1.00 0.00 H ATOM 1138 N LEU A 261 -13.324 2.128 9.307 1.00 46.78 N ATOM 1139 CA LEU A 261 -12.324 2.614 10.249 1.00 46.22 C ATOM 1140 C LEU A 261 -12.818 2.742 11.683 1.00 49.80 C ATOM 1141 O LEU A 261 -12.019 3.095 12.559 1.00 52.02 O ATOM 1142 CB LEU A 261 -11.780 3.982 9.806 1.00 44.15 C ATOM 1143 CG LEU A 261 -11.498 4.201 8.319 1.00 45.48 C ATOM 1144 CD1 LEU A 261 -11.328 5.672 7.993 1.00 45.18 C ATOM 1145 CD2 LEU A 261 -10.262 3.452 7.917 1.00 39.11 C ATOM 1146 H LEU A 261 -14.178 2.698 9.143 1.00 0.00 H ATOM 1147 N GLY A 262 -14.092 2.477 11.953 1.00 52.02 N ATOM 1148 CA GLY A 262 -14.620 2.604 13.301 1.00 58.08 C ATOM 1149 C GLY A 262 -16.133 2.583 13.359 1.00 61.69 C ATOM 1150 O GLY A 262 -16.769 3.574 13.727 1.00 64.95 O ATOM 1151 H GLY A 262 -14.723 2.173 11.185 1.00 0.00 H TER 1152 GLY A 262 ATOM 1153 N ASP A 264 -16.997 5.343 11.605 1.00 56.01 N ATOM 1154 CA ASP A 264 -16.951 5.998 10.301 1.00 60.70 C ATOM 1155 C ASP A 264 -16.585 5.017 9.182 1.00 63.67 C ATOM 1156 O ASP A 264 -16.009 3.955 9.430 1.00 58.90 O ATOM 1157 CB ASP A 264 -15.956 7.160 10.325 1.00 58.18 C ATOM 1158 HN3 ASP A 264 -16.065 4.936 11.820 1.00 0.00 H ATOM 1159 HN2 ASP A 264 -17.711 4.587 11.587 1.00 0.00 H ATOM 1160 HN1 ASP A 264 -17.248 6.041 12.334 1.00 0.00 H ATOM 1161 N SER A 265 -16.924 5.385 7.946 1.00 62.37 N ATOM 1162 CA SER A 265 -16.624 4.577 6.774 1.00 55.23 C ATOM 1163 C SER A 265 -16.113 5.473 5.656 1.00 52.98 C ATOM 1164 O SER A 265 -16.483 6.646 5.559 1.00 55.67 O ATOM 1165 CB SER A 265 -17.857 3.795 6.292 1.00 54.94 C ATOM 1166 OG SER A 265 -17.511 2.840 5.300 1.00 49.74 O ATOM 1167 HG SER A 265 -18.325 2.355 5.012 1.00 0.00 H ATOM 1168 H SER A 265 -17.424 6.287 7.814 1.00 0.00 H ATOM 1169 N LEU A 266 -15.261 4.903 4.807 1.00 48.97 N ATOM 1170 CA LEU A 266 -14.689 5.596 3.655 1.00 48.04 C ATOM 1171 C LEU A 266 -15.113 4.873 2.385 1.00 48.08 C ATOM 1172 O LEU A 266 -14.727 3.720 2.161 1.00 47.41 O ATOM 1173 CB LEU A 266 -13.164 5.663 3.734 1.00 49.51 C ATOM 1174 CG LEU A 266 -12.416 6.642 4.627 1.00 49.31 C ATOM 1175 CD1 LEU A 266 -10.933 6.433 4.433 1.00 44.26 C ATOM 1176 CD2 LEU A 266 -12.772 8.045 4.179 1.00 47.00 C ATOM 1177 H LEU A 266 -14.988 3.913 4.972 1.00 0.00 H ATOM 1178 N ASN A 267 -15.889 5.555 1.552 1.00 47.35 N ATOM 1179 CA ASN A 267 -16.459 4.941 0.366 1.00 45.32 C ATOM 1180 C ASN A 267 -15.533 5.147 -0.824 1.00 46.13 C ATOM 1181 O ASN A 267 -14.947 6.221 -0.993 1.00 46.25 O ATOM 1182 CB ASN A 267 -17.854 5.500 0.084 1.00 46.05 C ATOM 1183 CG ASN A 267 -18.817 5.246 1.233 1.00 49.50 C ATOM 1184 OD1 ASN A 267 -18.715 4.229 1.922 1.00 50.01 O ATOM 1185 ND2 ASN A 267 -19.758 6.162 1.441 1.00 50.85 N ATOM 1186 HD22 ASN A 267 -19.806 7.005 0.834 1.00 0.00 H ATOM 1187 HD21 ASN A 267 -20.446 6.035 2.211 1.00 0.00 H ATOM 1188 H ASN A 267 -16.094 6.554 1.754 1.00 0.00 H ATOM 1189 N ASP A 268 -15.386 4.095 -1.629 1.00 47.31 N ATOM 1190 CA ASP A 268 -14.579 4.102 -2.851 1.00 48.90 C ATOM 1191 C ASP A 268 -13.149 4.572 -2.579 1.00 46.20 C ATOM 1192 O ASP A 268 -12.715 5.645 -2.992 1.00 47.65 O ATOM 1193 CB ASP A 268 -15.236 4.959 -3.937 1.00 47.98 C ATOM 1194 CG ASP A 268 -16.377 4.243 -4.623 1.00 52.87 C ATOM 1195 OD1 ASP A 268 -16.350 2.993 -4.669 1.00 51.20 O ATOM 1196 OD2 ASP A 268 -17.300 4.926 -5.113 1.00 57.82 O ATOM 1197 H ASP A 268 -15.875 3.214 -1.373 1.00 0.00 H ATOM 1198 N CYS A 269 -12.423 3.721 -1.871 1.00 43.72 N ATOM 1199 CA CYS A 269 -10.999 3.913 -1.661 1.00 41.92 C ATOM 1200 C CYS A 269 -10.249 3.100 -2.703 1.00 41.87 C ATOM 1201 O CYS A 269 -10.571 1.930 -2.931 1.00 40.53 O ATOM 1202 CB CYS A 269 -10.591 3.493 -0.250 1.00 41.22 C ATOM 1203 SG CYS A 269 -11.381 4.476 1.042 1.00 46.10 S ATOM 1204 H CYS A 269 -12.887 2.890 -1.452 1.00 0.00 H ATOM 1205 N ARG A 270 -9.265 3.722 -3.342 1.00 41.30 N ATOM 1206 CA ARG A 270 -8.479 3.032 -4.355 1.00 38.56 C ATOM 1207 C ARG A 270 -7.468 2.154 -3.633 1.00 37.78 C ATOM 1208 O ARG A 270 -6.524 2.656 -3.011 1.00 41.29 O ATOM 1209 CB ARG A 270 -7.803 4.026 -5.294 1.00 39.38 C ATOM 1210 CG ARG A 270 -7.135 3.388 -6.498 1.00 39.15 C ATOM 1211 H ARG A 270 -9.053 4.715 -3.116 1.00 0.00 H ATOM 1212 N ILE A 271 -7.679 0.845 -3.692 1.00 36.41 N ATOM 1213 CA ILE A 271 -6.828 -0.099 -2.980 1.00 36.06 C ATOM 1214 C ILE A 271 -5.592 -0.374 -3.822 1.00 35.29 C ATOM 1215 O ILE A 271 -5.697 -0.742 -4.997 1.00 38.55 O ATOM 1216 CB ILE A 271 -7.595 -1.394 -2.669 1.00 37.63 C ATOM 1217 CG1 ILE A 271 -8.907 -1.073 -1.946 1.00 34.85 C ATOM 1218 CG2 ILE A 271 -6.730 -2.343 -1.838 1.00 30.31 C ATOM 1219 CD1 ILE A 271 -8.729 -0.259 -0.680 1.00 33.36 C ATOM 1220 H ILE A 271 -8.472 0.484 -4.261 1.00 0.00 H ATOM 1221 N ILE A 272 -4.417 -0.205 -3.217 1.00 37.04 N ATOM 1222 CA ILE A 272 -3.162 -0.410 -3.932 1.00 36.09 C ATOM 1223 C ILE A 272 -2.824 -1.892 -4.019 1.00 38.79 C ATOM 1224 O ILE A 272 -2.479 -2.407 -5.090 1.00 39.74 O ATOM 1225 CB ILE A 272 -2.030 0.376 -3.245 1.00 40.11 C ATOM 1226 CG1 ILE A 272 -2.378 1.862 -3.152 1.00 41.64 C ATOM 1227 CG2 ILE A 272 -0.711 0.174 -3.972 1.00 39.06 C ATOM 1228 CD1 ILE A 272 -2.445 2.550 -4.478 1.00 38.14 C ATOM 1229 H ILE A 272 -4.394 0.078 -2.217 1.00 0.00 H ATOM 1230 N PHE A 273 -2.913 -2.595 -2.890 1.00 34.47 N ATOM 1231 CA PHE A 273 -2.376 -3.952 -2.760 1.00 37.37 C ATOM 1232 C PHE A 273 -3.472 -4.967 -3.068 1.00 37.26 C ATOM 1233 O PHE A 273 -4.007 -5.651 -2.193 1.00 35.16 O ATOM 1234 CB PHE A 273 -1.777 -4.136 -1.371 1.00 40.55 C ATOM 1235 CG PHE A 273 -0.859 -3.017 -0.977 1.00 37.28 C ATOM 1236 CD1 PHE A 273 0.483 -3.060 -1.319 1.00 38.46 C ATOM 1237 CD2 PHE A 273 -1.344 -1.900 -0.316 1.00 35.57 C ATOM 1238 CE1 PHE A 273 1.331 -2.025 -0.989 1.00 39.15 C ATOM 1239 CE2 PHE A 273 -0.501 -0.859 0.018 1.00 39.76 C ATOM 1240 CZ PHE A 273 0.841 -0.923 -0.321 1.00 41.02 C ATOM 1241 H PHE A 273 -3.382 -2.163 -2.069 1.00 0.00 H ATOM 1242 N VAL A 274 -3.773 -5.094 -4.365 1.00 42.23 N ATOM 1243 CA VAL A 274 -4.857 -5.968 -4.807 1.00 37.68 C ATOM 1244 C VAL A 274 -4.456 -7.432 -4.826 1.00 35.52 C ATOM 1245 O VAL A 274 -5.306 -8.292 -5.091 1.00 34.42 O ATOM 1246 CB VAL A 274 -5.359 -5.501 -6.188 1.00 39.38 C ATOM 1247 CG1 VAL A 274 -5.947 -4.097 -6.078 1.00 37.44 C ATOM 1248 CG2 VAL A 274 -4.231 -5.535 -7.206 1.00 36.81 C ATOM 1249 H VAL A 274 -3.226 -4.561 -5.071 1.00 0.00 H ATOM 1250 N ASP A 275 -3.192 -7.744 -4.536 1.00 36.74 N ATOM 1251 CA ASP A 275 -2.723 -9.115 -4.388 1.00 36.98 C ATOM 1252 C ASP A 275 -2.564 -9.524 -2.929 1.00 37.30 C ATOM 1253 O ASP A 275 -2.133 -10.649 -2.659 1.00 36.20 O ATOM 1254 CB ASP A 275 -1.397 -9.307 -5.131 1.00 39.53 C ATOM 1255 CG ASP A 275 -1.559 -9.232 -6.635 1.00 45.70 C ATOM 1256 OD1 ASP A 275 -2.570 -9.764 -7.148 1.00 44.46 O ATOM 1257 OD2 ASP A 275 -0.689 -8.627 -7.303 1.00 49.74 O ATOM 1258 H ASP A 275 -2.508 -6.971 -4.409 1.00 0.00 H ATOM 1259 N GLU A 276 -2.897 -8.640 -1.986 1.00 36.77 N ATOM 1260 CA GLU A 276 -2.819 -8.967 -0.567 1.00 39.20 C ATOM 1261 C GLU A 276 -4.180 -8.748 0.082 1.00 40.30 C ATOM 1262 O GLU A 276 -4.303 -7.980 1.042 1.00 40.44 O ATOM 1263 CB GLU A 276 -1.744 -8.143 0.154 1.00 38.76 C ATOM 1264 CG GLU A 276 -0.386 -8.159 -0.540 1.00 41.44 C ATOM 1265 CD GLU A 276 0.618 -7.219 0.102 1.00 43.79 C ATOM 1266 OE1 GLU A 276 1.226 -6.409 -0.629 1.00 44.49 O ATOM 1267 OE2 GLU A 276 0.649 -7.141 1.348 1.00 49.23 O ATOM 1268 H GLU A 276 -3.220 -7.693 -2.271 1.00 0.00 H ATOM 1269 N VAL A 277 -5.215 -9.379 -0.467 1.00 36.63 N ATOM 1270 CA VAL A 277 -6.572 -9.295 0.061 1.00 33.08 C ATOM 1271 C VAL A 277 -6.869 -10.595 0.793 1.00 31.10 C ATOM 1272 O VAL A 277 -6.844 -11.675 0.189 1.00 31.12 O ATOM 1273 CB VAL A 277 -7.601 -9.055 -1.052 1.00 37.34 C ATOM 1274 CG1 VAL A 277 -8.984 -8.938 -0.454 1.00 34.02 C ATOM 1275 CG2 VAL A 277 -7.238 -7.820 -1.862 1.00 34.76 C ATOM 1276 H VAL A 277 -5.048 -9.960 -1.313 1.00 0.00 H ATOM 1277 N PHE A 278 -7.163 -10.496 2.085 1.00 32.24 N ATOM 1278 CA PHE A 278 -7.366 -11.668 2.922 1.00 31.15 C ATOM 1279 C PHE A 278 -8.847 -11.980 3.092 1.00 31.03 C ATOM 1280 O PHE A 278 -9.697 -11.084 3.111 1.00 27.13 O ATOM 1281 CB PHE A 278 -6.745 -11.475 4.308 1.00 28.96 C ATOM 1282 CG PHE A 278 -5.259 -11.672 4.351 1.00 31.35 C ATOM 1283 CD1 PHE A 278 -4.395 -10.614 4.127 1.00 32.93 C ATOM 1284 CD2 PHE A 278 -4.724 -12.916 4.647 1.00 33.38 C ATOM 1285 CE1 PHE A 278 -3.027 -10.798 4.180 1.00 30.48 C ATOM 1286 CE2 PHE A 278 -3.360 -13.102 4.701 1.00 32.79 C ATOM 1287 CZ PHE A 278 -2.511 -12.041 4.463 1.00 27.32 C ATOM 1288 H PHE A 278 -7.251 -9.551 2.511 1.00 0.00 H ATOM 1289 N LYS A 279 -9.135 -13.266 3.267 1.00 33.37 N ATOM 1290 CA LYS A 279 -10.460 -13.731 3.652 1.00 36.80 C ATOM 1291 C LYS A 279 -10.597 -13.653 5.168 1.00 32.63 C ATOM 1292 O LYS A 279 -9.664 -13.987 5.904 1.00 32.34 O ATOM 1293 CB LYS A 279 -10.688 -15.171 3.182 1.00 35.24 C ATOM 1294 CG LYS A 279 -11.940 -15.831 3.760 1.00 31.52 C ATOM 1295 CD LYS A 279 -11.857 -17.352 3.719 1.00 31.22 C ATOM 1296 H LYS A 279 -8.382 -13.969 3.123 1.00 0.00 H ATOM 1297 N ILE A 280 -11.750 -13.180 5.629 1.00 32.62 N ATOM 1298 CA ILE A 280 -11.994 -13.049 7.062 1.00 37.43 C ATOM 1299 C ILE A 280 -12.409 -14.409 7.613 1.00 39.16 C ATOM 1300 O ILE A 280 -13.352 -15.034 7.111 1.00 40.92 O ATOM 1301 CB ILE A 280 -13.057 -11.974 7.336 1.00 38.15 C ATOM 1302 CG1 ILE A 280 -12.568 -10.612 6.835 1.00 36.80 C ATOM 1303 CG2 ILE A 280 -13.369 -11.896 8.814 1.00 38.91 C ATOM 1304 CD1 ILE A 280 -13.629 -9.533 6.837 1.00 34.96 C ATOM 1305 H ILE A 280 -12.492 -12.898 4.957 1.00 0.00 H ATOM 1306 N GLU A 281 -11.716 -14.863 8.663 1.00 40.94 N ATOM 1307 CA GLU A 281 -11.921 -16.207 9.201 1.00 45.72 C ATOM 1308 C GLU A 281 -13.100 -16.253 10.162 1.00 48.86 C ATOM 1309 O GLU A 281 -13.207 -15.431 11.077 1.00 45.11 O ATOM 1310 CB GLU A 281 -10.654 -16.700 9.898 1.00 41.71 C ATOM 1311 CG GLU A 281 -9.403 -16.459 9.089 1.00 42.58 C ATOM 1312 CD GLU A 281 -9.271 -17.468 7.964 1.00 50.14 C ATOM 1313 OE1 GLU A 281 -9.937 -18.525 8.050 1.00 51.84 O ATOM 1314 OE2 GLU A 281 -8.529 -17.199 6.991 1.00 46.64 O ATOM 1315 H GLU A 281 -11.011 -14.242 9.110 1.00 0.00 H ATOM 1316 N ARG A 282 -14.009 -17.195 9.912 1.00 53.27 N ATOM 1317 CA ARG A 282 -15.201 -17.431 10.732 1.00 59.59 C ATOM 1318 C ARG A 282 -15.490 -18.954 10.886 1.00 64.45 C ATOM 1319 O ARG A 282 -14.851 -19.776 10.218 1.00 64.26 O ATOM 1320 CB ARG A 282 -16.390 -16.671 10.127 1.00 58.06 C ATOM 1321 CG ARG A 282 -16.002 -15.340 9.526 1.00 51.08 C ATOM 1322 CD ARG A 282 -17.121 -14.319 9.522 1.00 59.37 C ATOM 1323 NE ARG A 282 -16.887 -13.364 8.459 1.00 54.47 N ATOM 1324 CZ ARG A 282 -17.449 -12.161 8.424 1.00 58.69 C ATOM 1325 NH1 ARG A 282 -17.194 -11.321 7.414 1.00 51.08 N ATOM 1326 NH2 ARG A 282 -18.231 -11.765 9.432 1.00 51.52 N ATOM 1327 HE ARG A 282 -16.247 -13.633 7.685 1.00 0.00 H ATOM 1328 HH12 ARG A 282 -17.638 -10.381 7.395 1.00 0.00 H ATOM 1329 HH11 ARG A 282 -16.551 -11.608 6.648 1.00 0.00 H ATOM 1330 HH22 ARG A 282 -18.673 -10.824 9.409 1.00 0.00 H ATOM 1331 HH21 ARG A 282 -18.398 -12.398 10.240 1.00 0.00 H ATOM 1332 H ARG A 282 -13.863 -17.803 9.081 1.00 0.00 H ATOM 1333 N PRO A 283 -16.439 -19.350 11.765 1.00 67.73 N ATOM 1334 CA PRO A 283 -17.456 -18.611 12.530 1.00 67.11 C ATOM 1335 C PRO A 283 -16.909 -17.885 13.753 1.00 68.80 C ATOM 1336 O PRO A 283 -16.666 -16.682 13.650 1.00 67.89 O ATOM 1337 CB PRO A 283 -18.446 -19.706 12.935 1.00 65.88 C ATOM 1338 CG PRO A 283 -17.624 -20.930 13.018 1.00 63.52 C ATOM 1339 CD PRO A 283 -16.569 -20.807 11.961 1.00 61.60 C TER 1340 PRO A 283 HETATM 1341 O HOH 1 -7.603 -15.288 6.057 1.00 36.93 O HETATM 1342 O HOH 2 -14.524 -13.466 18.362 1.00 32.13 O HETATM 1343 O HOH 3 1.367 -8.827 3.257 1.00 37.23 O HETATM 1344 O HOH 4 -13.711 -12.650 3.791 1.00 31.75 O HETATM 1345 O HOH 5 -3.763 -12.166 -6.278 1.00 34.00 O HETATM 1346 O HOH 6 -3.196 2.734 0.637 1.00 35.53 O HETATM 1347 O HOH 7 -3.258 -16.400 21.173 1.00 38.95 O HETATM 1348 O HOH 8 -16.304 -13.145 5.056 1.00 42.03 O HETATM 1349 O HOH 9 -0.269 -4.827 -5.194 1.00 41.74 O HETATM 1350 O HOH 10 -16.662 -3.289 20.216 1.00 49.84 O HETATM 1351 O HOH 11 -20.094 -3.705 5.392 1.00 38.40 O HETATM 1352 O HOH 12 5.261 -4.673 8.060 1.00 36.80 O HETATM 1353 N ILE A 13 1.141 -18.664 10.137 1.00 0.24 N HETATM 1354 CA ILE A 13 0.935 -17.840 8.952 1.00 0.06 C HETATM 1355 C ILE A 13 2.120 -16.892 8.757 1.00 0.23 C HETATM 1356 O ILE A 13 2.716 -16.427 9.732 1.00 -0.39 O HETATM 1357 N ILE A 13 2.473 -16.613 7.503 1.00 -0.25 N HETATM 1358 CA ILE A 13 3.523 -15.619 7.247 1.00 0.13 C HETATM 1359 C ILE A 13 3.073 -14.232 7.680 1.00 0.20 C HETATM 1360 O ILE A 13 1.913 -13.852 7.506 1.00 -0.39 O HETATM 1361 N ILE A 13 4.006 -13.482 8.264 1.00 -0.26 N HETATM 1362 CA ILE A 13 3.680 -12.163 8.789 1.00 0.13 C HETATM 1363 C ILE A 13 3.236 -11.240 7.659 1.00 0.20 C HETATM 1364 O ILE A 13 3.775 -11.287 6.550 1.00 -0.39 O HETATM 1365 N ILE A 13 2.225 -10.420 7.936 1.00 -0.26 N HETATM 1366 CA ILE A 13 1.735 -9.466 6.956 1.00 0.13 C HETATM 1367 C ILE A 13 2.633 -8.234 6.920 1.00 0.20 C HETATM 1368 O ILE A 13 3.315 -7.898 7.893 1.00 -0.39 O HETATM 1369 N ILE A 13 2.618 -7.552 5.779 1.00 -0.26 N HETATM 1370 CA ILE A 13 3.352 -6.305 5.608 1.00 0.13 C HETATM 1371 C ILE A 13 2.446 -5.158 6.039 1.00 0.20 C HETATM 1372 O ILE A 13 1.414 -4.902 5.409 1.00 -0.39 O HETATM 1373 N ILE A 13 2.829 -4.466 7.109 1.00 -0.26 N HETATM 1374 CA ILE A 13 2.020 -3.395 7.671 1.00 0.16 C HETATM 1375 C ILE A 13 2.892 -2.193 7.989 1.00 0.21 C HETATM 1376 O ILE A 13 4.031 -2.339 8.440 1.00 -0.39 O HETATM 1377 N ILE A 13 2.346 -1.004 7.764 1.00 -0.26 N HETATM 1378 CA ILE A 13 3.013 0.205 8.204 1.00 0.13 C HETATM 1379 C ILE A 13 3.093 0.248 9.734 1.00 0.20 C HETATM 1380 O ILE A 13 2.402 -0.481 10.452 1.00 -0.39 O HETATM 1381 N ILE A 13 3.959 1.122 10.228 1.00 -0.26 N HETATM 1382 CA ILE A 13 4.098 1.360 11.656 1.00 0.13 C HETATM 1383 C ILE A 13 3.178 2.476 12.124 1.00 0.20 C HETATM 1384 O ILE A 13 3.068 3.505 11.463 1.00 -0.39 O HETATM 1385 N ILE A 13 2.524 2.282 13.265 1.00 -0.26 N HETATM 1386 CA ILE A 13 1.720 3.338 13.838 1.00 0.13 C HETATM 1387 CB ILE A 13 0.840 2.926 15.028 1.00 -0.01 C HETATM 1388 CG ILE A 13 0.283 1.536 14.857 1.00 -0.04 C HETATM 1389 CD ILE A 13 -0.868 1.340 15.819 1.00 -0.01 C HETATM 1390 CE ILE A 13 -0.345 0.696 17.095 1.00 -0.03 C HETATM 1391 NZ ILE A 13 -1.361 -0.091 17.891 1.00 0.24 N HETATM 1392 CM1 ILE A 13 -2.587 0.720 18.156 1.00 -0.04 C HETATM 1393 H83 ILE A 13 -3.305 0.121 18.735 1.00 0.08 H HETATM 1394 H84 ILE A 13 -3.044 1.017 17.201 1.00 0.08 H HETATM 1395 H85 ILE A 13 -2.315 1.620 18.727 1.00 0.08 H HETATM 1396 CM2 ILE A 13 -0.772 -0.575 19.174 1.00 -0.04 C HETATM 1397 H86 ILE A 13 0.129 -1.170 18.962 1.00 0.08 H HETATM 1398 H87 ILE A 13 -1.508 -1.199 19.703 1.00 0.08 H HETATM 1399 H88 ILE A 13 -0.503 0.287 19.802 1.00 0.08 H HETATM 1400 CM3 ILE A 13 -1.750 -1.282 17.070 1.00 -0.04 C HETATM 1401 H89 ILE A 13 -2.187 -0.945 16.119 1.00 0.08 H HETATM 1402 H90 ILE A 13 -2.490 -1.881 17.621 1.00 0.08 H HETATM 1403 H91 ILE A 13 -0.859 -1.895 16.867 1.00 0.08 H HETATM 1404 H81 ILE A 13 0.047 1.495 17.742 1.00 0.08 H HETATM 1405 H82 ILE A 13 0.472 0.013 16.820 1.00 0.08 H HETATM 1406 H79 ILE A 13 -1.625 0.687 15.360 1.00 0.03 H HETATM 1407 H80 ILE A 13 -1.320 2.314 16.056 1.00 0.03 H HETATM 1408 H77 ILE A 13 1.069 0.796 15.068 1.00 0.03 H HETATM 1409 H78 ILE A 13 -0.074 1.407 13.825 1.00 0.03 H HETATM 1410 H75 ILE A 13 0.004 3.636 15.116 1.00 0.03 H HETATM 1411 H76 ILE A 13 1.445 2.957 15.946 1.00 0.03 H HETATM 1412 C ILE A 13 2.562 4.508 14.335 1.00 0.20 C HETATM 1413 O ILE A 13 3.588 4.375 15.003 1.00 -0.39 O HETATM 1414 N ILE A 13 2.103 5.706 13.993 1.00 -0.26 N HETATM 1415 CA ILE A 13 2.806 6.918 14.390 1.00 0.13 C HETATM 1416 C ILE A 13 2.168 7.574 15.615 1.00 0.20 C HETATM 1417 O ILE A 13 0.999 7.342 15.927 1.00 -0.39 O HETATM 1418 N ILE A 13 2.954 8.395 16.296 1.00 -0.26 N HETATM 1419 CA ILE A 13 2.519 9.105 17.493 1.00 0.13 C HETATM 1420 C ILE A 13 1.730 10.345 17.079 1.00 0.21 C HETATM 1421 O ILE A 13 1.601 10.656 15.891 1.00 -0.39 O HETATM 1422 N ILE A 13 1.156 11.086 18.047 1.00 -0.26 N HETATM 1423 CA ILE A 13 0.522 12.348 17.645 1.00 0.10 C HETATM 1424 C ILE A 13 1.538 13.408 17.217 1.00 0.06 C HETATM 1425 O ILE A 13 1.198 14.266 16.400 1.00 -0.57 O HETATM 1426 OXT ILE A 13 2.672 13.378 17.700 1.00 -0.57 O HETATM 1427 CB ILE A 13 -0.225 12.791 18.911 1.00 -0.02 C HETATM 1428 CG ILE A 13 -0.318 11.573 19.769 1.00 -0.03 C HETATM 1429 CD ILE A 13 0.902 10.773 19.465 1.00 0.04 C HETATM 1430 H116 ILE A 13 1.747 11.085 20.097 1.00 0.05 H HETATM 1431 H117 ILE A 13 0.716 9.698 19.606 1.00 0.05 H HETATM 1432 H114 ILE A 13 -1.224 10.999 19.524 1.00 0.03 H HETATM 1433 H115 ILE A 13 -0.338 11.853 20.832 1.00 0.03 H HETATM 1434 H112 ILE A 13 -1.230 13.158 18.655 1.00 0.03 H HETATM 1435 H113 ILE A 13 0.334 13.584 19.429 1.00 0.03 H HETATM 1436 H111 ILE A 13 -0.182 12.175 16.818 1.00 0.07 H HETATM 1437 CB ILE A 13 3.739 9.447 18.346 1.00 -0.01 C HETATM 1438 CG ILE A 13 4.501 8.251 18.915 1.00 -0.04 C HETATM 1439 CD1 ILE A 13 5.890 8.673 19.368 1.00 -0.06 C HETATM 1440 H105 ILE A 13 6.424 7.801 19.774 1.00 0.02 H HETATM 1441 H106 ILE A 13 5.803 9.445 20.147 1.00 0.02 H HETATM 1442 H107 ILE A 13 6.448 9.078 18.511 1.00 0.02 H HETATM 1443 CD2 ILE A 13 3.723 7.614 20.060 1.00 -0.06 C HETATM 1444 H108 ILE A 13 2.724 7.319 19.705 1.00 0.02 H HETATM 1445 H109 ILE A 13 3.621 8.338 20.882 1.00 0.02 H HETATM 1446 H110 ILE A 13 4.262 6.725 20.420 1.00 0.02 H HETATM 1447 H104 ILE A 13 4.612 7.502 18.117 1.00 0.03 H HETATM 1448 H102 ILE A 13 3.400 10.065 19.190 1.00 0.03 H HETATM 1449 H103 ILE A 13 4.436 10.027 17.723 1.00 0.03 H HETATM 1450 H101 ILE A 13 1.857 8.451 18.079 1.00 0.08 H HETATM 1451 H100 ILE A 13 3.890 8.534 15.974 1.00 0.19 H HETATM 1452 CB ILE A 13 2.852 7.914 13.229 1.00 0.00 C HETATM 1453 CG ILE A 13 3.037 7.282 11.858 1.00 0.04 C HETATM 1454 CD ILE A 13 4.382 6.597 11.683 1.00 0.17 C HETATM 1455 OE1 ILE A 13 5.273 6.706 12.529 1.00 -0.40 O HETATM 1456 NE2 ILE A 13 4.537 5.886 10.571 1.00 -0.30 N HETATM 1457 H98 ILE A 13 5.400 5.411 10.397 1.00 0.18 H HETATM 1458 H99 ILE A 13 3.791 5.826 9.908 1.00 0.18 H HETATM 1459 H96 ILE A 13 2.946 8.070 11.096 1.00 0.05 H HETATM 1460 H97 ILE A 13 2.244 6.535 11.709 1.00 0.05 H HETATM 1461 H94 ILE A 13 3.689 8.606 13.403 1.00 0.03 H HETATM 1462 H95 ILE A 13 1.907 8.477 13.222 1.00 0.03 H HETATM 1463 H93 ILE A 13 3.838 6.641 14.650 1.00 0.08 H HETATM 1464 H92 ILE A 13 1.263 5.777 13.455 1.00 0.19 H HETATM 1465 H74 ILE A 13 1.058 3.699 13.037 1.00 0.08 H HETATM 1466 H73 ILE A 13 2.589 1.399 13.730 1.00 0.19 H HETATM 1467 CB ILE A 13 5.541 1.716 11.990 1.00 -0.01 C HETATM 1468 CG ILE A 13 6.370 0.548 12.459 1.00 -0.02 C HETATM 1469 CD ILE A 13 6.300 0.443 13.963 1.00 0.06 C HETATM 1470 NE ILE A 13 6.658 -0.893 14.415 1.00 -0.27 N HETATM 1471 CZ ILE A 13 6.614 -1.285 15.682 1.00 0.29 C HETATM 1472 NH1 ILE A 13 6.224 -0.442 16.629 1.00 -0.28 N HETATM 1473 H69 ILE A 13 6.191 -0.750 17.611 1.00 0.26 H HETATM 1474 H70 ILE A 13 5.954 0.521 16.382 1.00 0.26 H HETATM 1475 NH2 ILE A 13 6.959 -2.523 15.997 1.00 -0.28 N HETATM 1476 H71 ILE A 13 7.262 -3.176 15.261 1.00 0.26 H HETATM 1477 H72 ILE A 13 6.925 -2.833 16.979 1.00 0.26 H HETATM 1478 H68 ILE A 13 6.964 -1.577 13.708 1.00 0.26 H HETATM 1479 H66 ILE A 13 5.275 0.670 14.291 1.00 0.07 H HETATM 1480 H67 ILE A 13 6.996 1.170 14.406 1.00 0.07 H HETATM 1481 H64 ILE A 13 7.416 0.696 12.152 1.00 0.03 H HETATM 1482 H65 ILE A 13 5.983 -0.379 12.010 1.00 0.03 H HETATM 1483 H62 ILE A 13 5.534 2.476 12.785 1.00 0.03 H HETATM 1484 H63 ILE A 13 6.012 2.133 11.088 1.00 0.03 H HETATM 1485 H61 ILE A 13 3.828 0.437 12.190 1.00 0.08 H HETATM 1486 H60 ILE A 13 4.538 1.637 9.595 1.00 0.19 H HETATM 1487 CB ILE A 13 2.282 1.437 7.676 1.00 -0.02 C HETATM 1488 H57 ILE A 13 2.800 2.345 8.018 1.00 0.03 H HETATM 1489 H58 ILE A 13 1.249 1.440 8.053 1.00 0.03 H HETATM 1490 H59 ILE A 13 2.271 1.413 6.576 1.00 0.03 H HETATM 1491 H56 ILE A 13 4.036 0.206 7.801 1.00 0.08 H HETATM 1492 H55 ILE A 13 1.469 -0.942 7.288 1.00 0.19 H HETATM 1493 CB ILE A 13 1.307 -3.840 8.946 1.00 0.09 C HETATM 1494 OG1 ILE A 13 0.835 -5.183 8.790 1.00 -0.39 O HETATM 1495 H51 ILE A 13 0.392 -5.456 9.585 1.00 0.21 H HETATM 1496 CG2 ILE A 13 0.131 -2.922 9.234 1.00 -0.03 C HETATM 1497 H52 ILE A 13 -0.375 -3.252 10.154 1.00 0.03 H HETATM 1498 H53 ILE A 13 -0.577 -2.958 8.393 1.00 0.03 H HETATM 1499 H54 ILE A 13 0.493 -1.892 9.364 1.00 0.03 H HETATM 1500 H50 ILE A 13 2.013 -3.798 9.788 1.00 0.06 H HETATM 1501 H49 ILE A 13 1.264 -3.102 6.928 1.00 0.08 H HETATM 1502 H48 ILE A 13 3.702 -4.689 7.542 1.00 0.19 H HETATM 1503 CB ILE A 13 3.802 -6.140 4.160 1.00 -0.01 C HETATM 1504 CG ILE A 13 4.475 -7.372 3.585 1.00 -0.02 C HETATM 1505 CD ILE A 13 4.557 -7.293 2.068 1.00 0.06 C HETATM 1506 NE ILE A 13 4.532 -8.623 1.467 1.00 -0.27 N HETATM 1507 CZ ILE A 13 4.250 -8.864 0.192 1.00 0.29 C HETATM 1508 NH1 ILE A 13 3.964 -7.860 -0.630 1.00 -0.28 N HETATM 1509 H44 ILE A 13 3.746 -8.050 -1.619 1.00 0.26 H HETATM 1510 H45 ILE A 13 3.961 -6.892 -0.279 1.00 0.26 H HETATM 1511 NH2 ILE A 13 4.252 -10.112 -0.259 1.00 -0.28 N HETATM 1512 H46 ILE A 13 4.474 -10.890 0.379 1.00 0.26 H HETATM 1513 H47 ILE A 13 4.032 -10.303 -1.247 1.00 0.26 H HETATM 1514 H43 ILE A 13 4.747 -9.428 2.072 1.00 0.26 H HETATM 1515 H41 ILE A 13 5.493 -6.789 1.785 1.00 0.07 H HETATM 1516 H42 ILE A 13 3.701 -6.714 1.692 1.00 0.07 H HETATM 1517 H39 ILE A 13 3.895 -8.263 3.868 1.00 0.03 H HETATM 1518 H40 ILE A 13 5.492 -7.451 3.996 1.00 0.03 H HETATM 1519 H37 ILE A 13 4.513 -5.302 4.111 1.00 0.03 H HETATM 1520 H38 ILE A 13 2.919 -5.909 3.546 1.00 0.03 H HETATM 1521 H36 ILE A 13 4.244 -6.319 6.252 1.00 0.08 H HETATM 1522 H35 ILE A 13 2.084 -7.907 5.011 1.00 0.19 H HETATM 1523 CB ILE A 13 0.298 -9.041 7.271 1.00 -0.01 C HETATM 1524 CG ILE A 13 -0.716 -10.172 7.308 1.00 -0.02 C HETATM 1525 CD ILE A 13 -2.147 -9.639 7.382 1.00 0.06 C HETATM 1526 NE ILE A 13 -2.394 -8.793 8.550 1.00 -0.27 N HETATM 1527 CZ ILE A 13 -2.909 -9.231 9.701 1.00 0.29 C HETATM 1528 NH1 ILE A 13 -3.229 -10.513 9.847 1.00 -0.28 N HETATM 1529 H31 ILE A 13 -3.626 -10.847 10.737 1.00 0.26 H HETATM 1530 H32 ILE A 13 -3.080 -11.173 9.070 1.00 0.26 H HETATM 1531 NH2 ILE A 13 -3.104 -8.391 10.711 1.00 -0.28 N HETATM 1532 H33 ILE A 13 -2.859 -7.396 10.608 1.00 0.26 H HETATM 1533 H34 ILE A 13 -3.500 -8.735 11.598 1.00 0.26 H HETATM 1534 H30 ILE A 13 -2.155 -7.794 8.479 1.00 0.26 H HETATM 1535 H28 ILE A 13 -2.836 -10.495 7.420 1.00 0.07 H HETATM 1536 H29 ILE A 13 -2.346 -9.048 6.476 1.00 0.07 H HETATM 1537 H26 ILE A 13 -0.521 -10.798 8.191 1.00 0.03 H HETATM 1538 H27 ILE A 13 -0.608 -10.779 6.397 1.00 0.03 H HETATM 1539 H24 ILE A 13 -0.021 -8.322 6.502 1.00 0.03 H HETATM 1540 H25 ILE A 13 0.296 -8.550 8.255 1.00 0.03 H HETATM 1541 H23 ILE A 13 1.751 -9.945 5.966 1.00 0.08 H HETATM 1542 H22 ILE A 13 1.794 -10.461 8.837 1.00 0.19 H HETATM 1543 CB ILE A 13 4.887 -11.574 9.526 1.00 -0.02 C HETATM 1544 CG ILE A 13 4.617 -10.256 10.239 1.00 -0.06 C HETATM 1545 H19 ILE A 13 5.536 -9.913 10.736 1.00 0.02 H HETATM 1546 H20 ILE A 13 3.826 -10.400 10.990 1.00 0.02 H HETATM 1547 H21 ILE A 13 4.294 -9.502 9.506 1.00 0.02 H HETATM 1548 H17 ILE A 13 5.689 -11.408 8.792 1.00 0.03 H HETATM 1549 H18 ILE A 13 5.222 -12.306 10.275 1.00 0.03 H HETATM 1550 H16 ILE A 13 2.850 -12.265 9.504 1.00 0.08 H HETATM 1551 H15 ILE A 13 4.941 -13.828 8.343 1.00 0.19 H HETATM 1552 CB ILE A 13 3.737 -15.701 5.729 1.00 -0.01 C HETATM 1553 CG ILE A 13 2.481 -16.294 5.193 1.00 -0.03 C HETATM 1554 CD ILE A 13 1.975 -17.229 6.261 1.00 0.04 C HETATM 1555 H13 ILE A 13 0.876 -17.277 6.256 1.00 0.05 H HETATM 1556 H14 ILE A 13 2.387 -18.240 6.128 1.00 0.05 H HETATM 1557 H11 ILE A 13 2.686 -16.848 4.265 1.00 0.03 H HETATM 1558 H12 ILE A 13 1.741 -15.505 4.993 1.00 0.03 H HETATM 1559 H9 ILE A 13 4.598 -16.343 5.494 1.00 0.03 H HETATM 1560 H10 ILE A 13 3.902 -14.698 5.307 1.00 0.03 H HETATM 1561 H8 ILE A 13 4.447 -15.882 7.782 1.00 0.08 H HETATM 1562 CB ILE A 13 -0.394 -17.055 9.045 1.00 -0.00 C HETATM 1563 H5 ILE A 13 -0.523 -16.444 8.140 1.00 0.03 H HETATM 1564 H6 ILE A 13 -0.372 -16.401 9.929 1.00 0.03 H HETATM 1565 H7 ILE A 13 -1.232 -17.762 9.132 1.00 0.03 H HETATM 1566 H4 ILE A 13 0.878 -18.504 8.077 1.00 0.11 H HETATM 1567 H1 ILE A 13 0.355 -19.284 10.256 1.00 0.20 H HETATM 1568 H2 ILE A 13 1.227 -18.071 10.948 1.00 0.20 H HETATM 1569 H3 ILE A 13 1.983 -19.206 10.027 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1153 1154 1158 1159 1160 CONECT 1158 1153 CONECT 1159 1153 CONECT 1160 1153 CONECT 1353 1354 1567 1568 1569 CONECT 1354 1353 1355 1562 1566 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 1358 1554 CONECT 1358 1357 1359 1552 1561 CONECT 1359 1358 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1551 CONECT 1362 1361 1363 1543 1550 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1542 CONECT 1366 1365 1367 1523 1541 CONECT 1367 1366 1368 1369 CONECT 1368 1367 CONECT 1369 1367 1370 1522 CONECT 1370 1369 1371 1503 1521 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1502 CONECT 1374 1373 1375 1493 1501 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1492 CONECT 1378 1377 1379 1487 1491 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 1382 1486 CONECT 1382 1381 1383 1467 1485 CONECT 1383 1382 1384 1385 CONECT 1384 1383 CONECT 1385 1383 1386 1466 CONECT 1386 1385 1387 1412 1465 CONECT 1387 1386 1388 1410 1411 CONECT 1388 1387 1389 1408 1409 CONECT 1389 1388 1390 1406 1407 CONECT 1390 1389 1391 1404 1405 CONECT 1391 1390 1392 1396 1400 CONECT 1392 1391 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1391 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1391 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1390 CONECT 1405 1390 CONECT 1406 1389 CONECT 1407 1389 CONECT 1408 1388 CONECT 1409 1388 CONECT 1410 1387 CONECT 1411 1387 CONECT 1412 1386 1413 1414 CONECT 1413 1412 CONECT 1414 1412 1415 1464 CONECT 1415 1414 1416 1452 1463 CONECT 1416 1415 1417 1418 CONECT 1417 1416 CONECT 1418 1416 1419 1451 CONECT 1419 1418 1420 1437 1450 CONECT 1420 1419 1421 1422 CONECT 1421 1420 CONECT 1422 1420 1423 1429 CONECT 1423 1422 1424 1427 1436 CONECT 1424 1423 1425 1426 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1423 1428 1434 1435 CONECT 1428 1427 1429 1432 1433 CONECT 1429 1422 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1428 CONECT 1433 1428 CONECT 1434 1427 CONECT 1435 1427 CONECT 1436 1423 CONECT 1437 1419 1438 1448 1449 CONECT 1438 1437 1439 1443 1447 CONECT 1439 1438 1440 1441 1442 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1439 CONECT 1443 1438 1444 1445 1446 CONECT 1444 1443 CONECT 1445 1443 CONECT 1446 1443 CONECT 1447 1438 CONECT 1448 1437 CONECT 1449 1437 CONECT 1450 1419 CONECT 1451 1418 CONECT 1452 1415 1453 1461 1462 CONECT 1453 1452 1454 1459 1460 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 1457 1458 CONECT 1457 1456 CONECT 1458 1456 CONECT 1459 1453 CONECT 1460 1453 CONECT 1461 1452 CONECT 1462 1452 CONECT 1463 1415 CONECT 1464 1414 CONECT 1465 1386 CONECT 1466 1385 CONECT 1467 1382 1468 1483 1484 CONECT 1468 1467 1469 1481 1482 CONECT 1469 1468 1470 1479 1480 CONECT 1470 1469 1471 1478 CONECT 1471 1470 1472 1475 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1471 1476 1477 CONECT 1476 1475 CONECT 1477 1475 CONECT 1478 1470 CONECT 1479 1469 CONECT 1480 1469 CONECT 1481 1468 CONECT 1482 1468 CONECT 1483 1467 CONECT 1484 1467 CONECT 1485 1382 CONECT 1486 1381 CONECT 1487 1378 1488 1489 1490 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1487 CONECT 1491 1378 CONECT 1492 1377 CONECT 1493 1374 1494 1496 1500 CONECT 1494 1493 1495 CONECT 1495 1494 CONECT 1496 1493 1497 1498 1499 CONECT 1497 1496 CONECT 1498 1496 CONECT 1499 1496 CONECT 1500 1493 CONECT 1501 1374 CONECT 1502 1373 CONECT 1503 1370 1504 1519 1520 CONECT 1504 1503 1505 1517 1518 CONECT 1505 1504 1506 1515 1516 CONECT 1506 1505 1507 1514 CONECT 1507 1506 1508 1511 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1507 1512 1513 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1506 CONECT 1515 1505 CONECT 1516 1505 CONECT 1517 1504 CONECT 1518 1504 CONECT 1519 1503 CONECT 1520 1503 CONECT 1521 1370 CONECT 1522 1369 CONECT 1523 1366 1524 1539 1540 CONECT 1524 1523 1525 1537 1538 CONECT 1525 1524 1526 1535 1536 CONECT 1526 1525 1527 1534 CONECT 1527 1526 1528 1531 CONECT 1528 1527 1529 1530 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1527 1532 1533 CONECT 1532 1531 CONECT 1533 1531 CONECT 1534 1526 CONECT 1535 1525 CONECT 1536 1525 CONECT 1537 1524 CONECT 1538 1524 CONECT 1539 1523 CONECT 1540 1523 CONECT 1541 1366 CONECT 1542 1365 CONECT 1543 1362 1544 1548 1549 CONECT 1544 1543 1545 1546 1547 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1544 CONECT 1548 1543 CONECT 1549 1543 CONECT 1550 1362 CONECT 1551 1361 CONECT 1552 1358 1553 1559 1560 CONECT 1553 1552 1554 1557 1558 CONECT 1554 1357 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1553 CONECT 1558 1553 CONECT 1559 1552 CONECT 1560 1552 CONECT 1561 1358 CONECT 1562 1354 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1354 CONECT 1567 1353 CONECT 1568 1353 CONECT 1569 1353 MASTER 0 0 0 0 0 0 0 0 1567 2 225 11 END
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Entry Information
PDB ID
5yy9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase UHRF1
Ligand Name
13-mer
EC.Number
E.C.2.3.2.27
Resolution
2.65(Å)
Affinity (Kd/Ki/IC50)
Kd=9.1nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Structure Vol. 27: pp. 485-496
Ligand Properties
Formula
C
6
2
H
1
1
8
N
2
3
O
1
5
Molecular Weight
1425.750
Exact Mass
1424.920
No. of atoms
218
No. of bonds
219
Polar Surface Area
628.81
LOGP Value
-0.75 (
Computed with XLOGP3
)
-5.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 2
Canonical SMILES
CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CCC(=O)N)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C62H113N23O15/c1-10-37(75-55(95)44-22-16-29-83(44)57(97)34(4)63)49(89)77-40(20-14-27-72-61(67)68)52(92)79-41(21-15-28-73-62(69)70)54(94)82-47(36(6)86)56(96)74-35(5)48(88)76-39(19-13-26-71-60(65)66)51(91)78-38(18-11-12-31-85(7,8)9)50(90)80-42(24-25-46(64)87)53(93)81-43(32-33(2)3)58(98)84-30-17-23-45(84)59(99)100/h33-45,47,86H,10-32,63H2,1-9H3,(H23-,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,87,88,89,90,91,92,93,94,95,96,99,100)/p+5/t34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P18858
Q96T88
Entrez Gene ID
NCBI Entrez Gene ID:
3978
29128
ASD
Information of known allosteric effects of PDB entries
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