Browse entries in the PDBbind-CN Database
HEADER 5UWM_COMPLEX COMPND 5UWM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 LEU LYS TRP SER LYS MET ASN LEU THR TYR ARG ILE VAL SEQRES 2 A 137 ASN TYR THR PRO ASP MET THR HIS SER GLU VAL GLU LYS SEQRES 3 A 137 ALA PHE LYS LYS ALA PHE LYS VAL TRP SER ASP VAL THR SEQRES 4 A 137 PRO LEU ASN PHE THR ARG LEU HIS ASP GLY ILE ALA ASP SEQRES 5 A 137 ILE MET ILE SER PHE GLY ILE LYS GLU HIS GLY ASP PHE SEQRES 6 A 137 TYR PRO PHE ASP GLY PRO SER GLY LEU LEU ALA HIS ALA SEQRES 7 A 137 PHE PRO PRO GLY PRO ASN TYR GLY GLY ASP ALA HIS PHE SEQRES 8 A 137 ASP ASP ASP GLU THR TRP THR SER SER SER LYS GLY TYR SEQRES 9 A 137 ASN LEU PHE LEU VAL ALA ALA HIS GLU PHE GLY HIS SER SEQRES 10 A 137 LEU GLY LEU ASP HIS SER LYS ASP PRO GLY ALA LEU MET SEQRES 11 A 137 PHE PRO ILE TYR THR TYR THR SEQRES 1 A 18 HIS PHE MET LEU PRO ASP ASP ASP VAL GLN GLY ILE GLN SEQRES 2 A 18 SER LEU TYR GLY PRO HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET UNN A 343 62 ATOM 1 N LEU A 111 -50.464 133.836 12.129 1.00 38.04 N ATOM 2 CA LEU A 111 -50.817 132.525 12.662 1.00 41.17 C ATOM 3 C LEU A 111 -49.554 131.708 12.904 1.00 38.92 C ATOM 4 O LEU A 111 -48.550 131.862 12.203 1.00 40.50 O ATOM 5 CB LEU A 111 -51.755 131.779 11.713 1.00 43.99 C ATOM 6 CG LEU A 111 -53.071 132.416 11.367 1.00 49.17 C ATOM 7 CD1 LEU A 111 -53.344 132.235 9.981 1.00 51.81 C ATOM 8 CD2 LEU A 111 -54.237 131.914 12.146 1.00 51.03 C ATOM 9 HN3 LEU A 111 -49.953 133.718 11.231 1.00 0.00 H ATOM 10 HN2 LEU A 111 -49.857 134.334 12.811 1.00 0.00 H ATOM 11 HN1 LEU A 111 -51.331 134.388 11.966 1.00 0.00 H ATOM 12 N LYS A 112 -49.689 130.777 13.841 1.00 32.24 N ATOM 13 CA LYS A 112 -48.530 130.134 14.435 1.00 28.58 C ATOM 14 C LYS A 112 -48.919 128.744 14.915 1.00 26.26 C ATOM 15 O LYS A 112 -50.026 128.549 15.424 1.00 29.25 O ATOM 16 CB LYS A 112 -47.995 130.987 15.595 1.00 35.47 C ATOM 17 CG LYS A 112 -46.883 130.359 16.371 1.00 37.55 C ATOM 18 CD LYS A 112 -46.459 131.243 17.515 1.00 38.60 C ATOM 19 CE LYS A 112 -46.271 130.431 18.776 1.00 40.89 C ATOM 20 NZ LYS A 112 -45.621 131.232 19.844 1.00 45.32 N ATOM 21 HZ1 LYS A 112 -44.688 131.553 19.515 1.00 0.00 H ATOM 22 HZ2 LYS A 112 -46.214 132.057 20.067 1.00 0.00 H ATOM 23 HZ3 LYS A 112 -45.507 130.645 20.695 1.00 0.00 H ATOM 24 H LYS A 112 -50.642 130.503 14.155 1.00 0.00 H ATOM 25 N TRP A 113 -48.012 127.780 14.736 1.00 25.11 N ATOM 26 CA TRP A 113 -48.194 126.477 15.362 1.00 26.21 C ATOM 27 C TRP A 113 -47.977 126.586 16.866 1.00 30.22 C ATOM 28 O TRP A 113 -47.038 127.240 17.334 1.00 30.33 O ATOM 29 CB TRP A 113 -47.234 125.436 14.773 1.00 23.17 C ATOM 30 CG TRP A 113 -47.461 125.145 13.316 1.00 20.54 C ATOM 31 CD1 TRP A 113 -46.788 125.695 12.261 1.00 21.29 C ATOM 32 CD2 TRP A 113 -48.433 124.254 12.746 1.00 22.23 C ATOM 33 NE1 TRP A 113 -47.275 125.208 11.080 1.00 23.19 N ATOM 34 CE2 TRP A 113 -48.284 124.318 11.348 1.00 22.98 C ATOM 35 CE3 TRP A 113 -49.415 123.412 13.282 1.00 24.06 C ATOM 36 CZ2 TRP A 113 -49.078 123.581 10.478 1.00 25.26 C ATOM 37 CZ3 TRP A 113 -50.198 122.675 12.413 1.00 26.09 C ATOM 38 CH2 TRP A 113 -50.020 122.762 11.023 1.00 22.45 C ATOM 39 HE1 TRP A 113 -46.936 125.470 10.132 1.00 0.00 H ATOM 40 H TRP A 113 -47.173 127.960 14.148 1.00 0.00 H ATOM 41 N SER A 114 -48.852 125.937 17.629 1.00 31.30 N ATOM 42 CA SER A 114 -48.711 125.885 19.075 1.00 32.72 C ATOM 43 C SER A 114 -47.973 124.635 19.544 1.00 35.63 C ATOM 44 O SER A 114 -48.047 124.285 20.728 1.00 42.32 O ATOM 45 CB SER A 114 -50.087 125.985 19.746 1.00 34.08 C ATOM 46 OG SER A 114 -51.020 125.117 19.135 1.00 42.53 O ATOM 47 HG SER A 114 -51.116 125.358 18.180 1.00 0.00 H ATOM 48 H SER A 114 -49.657 125.455 17.180 1.00 0.00 H ATOM 49 N LYS A 115 -47.264 123.963 18.645 1.00 31.09 N ATOM 50 CA LYS A 115 -46.390 122.851 18.986 1.00 30.35 C ATOM 51 C LYS A 115 -45.119 122.996 18.160 1.00 31.56 C ATOM 52 O LYS A 115 -45.126 123.622 17.096 1.00 31.37 O ATOM 53 CB LYS A 115 -47.074 121.486 18.738 1.00 30.63 C ATOM 54 CG LYS A 115 -47.473 121.215 17.289 1.00 30.49 C ATOM 55 CD LYS A 115 -48.219 119.889 17.125 1.00 28.38 C ATOM 56 CE LYS A 115 -48.560 119.658 15.664 1.00 25.50 C ATOM 57 NZ LYS A 115 -49.599 118.625 15.492 1.00 30.86 N ATOM 58 HZ1 LYS A 115 -49.262 117.726 15.892 1.00 0.00 H ATOM 59 HZ2 LYS A 115 -50.466 118.922 15.984 1.00 0.00 H ATOM 60 HZ3 LYS A 115 -49.799 118.502 14.479 1.00 0.00 H ATOM 61 H LYS A 115 -47.337 124.246 17.647 1.00 0.00 H ATOM 62 N MET A 116 -44.017 122.442 18.669 1.00 30.08 N ATOM 63 CA MET A 116 -42.728 122.565 17.996 1.00 31.43 C ATOM 64 C MET A 116 -42.371 121.354 17.146 1.00 31.03 C ATOM 65 O MET A 116 -41.511 121.468 16.268 1.00 31.79 O ATOM 66 CB MET A 116 -41.611 122.791 19.021 1.00 33.69 C ATOM 67 CG MET A 116 -41.710 124.109 19.760 1.00 38.98 C ATOM 68 SD MET A 116 -41.452 125.540 18.687 1.00 42.57 S ATOM 69 CE MET A 116 -41.333 126.853 19.911 1.00 43.07 C ATOM 70 H MET A 116 -44.078 121.913 19.562 1.00 0.00 H ATOM 71 N ASN A 117 -43.008 120.210 17.370 1.00 28.78 N ATOM 72 CA ASN A 117 -42.694 118.984 16.645 1.00 29.47 C ATOM 73 C ASN A 117 -43.770 118.742 15.595 1.00 25.14 C ATOM 74 O ASN A 117 -44.901 118.368 15.931 1.00 26.86 O ATOM 75 CB ASN A 117 -42.583 117.809 17.612 1.00 33.04 C ATOM 76 CG ASN A 117 -41.392 117.940 18.533 1.00 38.75 C ATOM 77 OD1 ASN A 117 -40.262 117.658 18.144 1.00 41.84 O ATOM 78 ND2 ASN A 117 -41.635 118.394 19.755 1.00 42.25 N ATOM 79 HD22 ASN A 117 -42.609 118.620 20.042 1.00 0.00 H ATOM 80 HD21 ASN A 117 -40.852 118.524 20.427 1.00 0.00 H ATOM 81 H ASN A 117 -43.759 120.188 18.089 1.00 0.00 H ATOM 82 N LEU A 118 -43.405 118.939 14.330 1.00 23.73 N ATOM 83 CA LEU A 118 -44.316 118.875 13.202 1.00 20.43 C ATOM 84 C LEU A 118 -43.958 117.712 12.280 1.00 20.82 C ATOM 85 O LEU A 118 -42.798 117.282 12.204 1.00 22.50 O ATOM 86 CB LEU A 118 -44.275 120.191 12.417 1.00 22.33 C ATOM 87 CG LEU A 118 -44.660 121.444 13.212 1.00 26.89 C ATOM 88 CD1 LEU A 118 -44.277 122.707 12.460 1.00 28.45 C ATOM 89 CD2 LEU A 118 -46.131 121.440 13.499 1.00 28.49 C ATOM 90 H LEU A 118 -42.405 119.152 14.138 1.00 0.00 H ATOM 91 N THR A 119 -44.964 117.208 11.570 1.00 21.53 N ATOM 92 CA THR A 119 -44.754 116.151 10.596 1.00 18.78 C ATOM 93 C THR A 119 -45.079 116.653 9.200 1.00 20.34 C ATOM 94 O THR A 119 -45.867 117.588 9.022 1.00 19.80 O ATOM 95 CB THR A 119 -45.607 114.912 10.893 1.00 22.41 C ATOM 96 OG1 THR A 119 -46.995 115.271 10.900 1.00 22.07 O ATOM 97 CG2 THR A 119 -45.216 114.308 12.221 1.00 22.14 C ATOM 98 HG1 THR A 119 -47.541 114.468 11.092 1.00 0.00 H ATOM 99 H THR A 119 -45.924 117.580 11.716 1.00 0.00 H ATOM 100 N TYR A 120 -44.467 116.002 8.209 1.00 19.02 N ATOM 101 CA TYR A 120 -44.793 116.240 6.813 1.00 18.26 C ATOM 102 C TYR A 120 -44.873 114.922 6.059 1.00 16.76 C ATOM 103 O TYR A 120 -44.301 113.913 6.463 1.00 19.58 O ATOM 104 CB TYR A 120 -43.793 117.185 6.136 1.00 19.98 C ATOM 105 CG TYR A 120 -42.368 116.697 5.914 1.00 19.03 C ATOM 106 CD1 TYR A 120 -41.421 116.734 6.926 1.00 17.60 C ATOM 107 CD2 TYR A 120 -41.959 116.278 4.663 1.00 17.52 C ATOM 108 CE1 TYR A 120 -40.106 116.340 6.688 1.00 18.66 C ATOM 109 CE2 TYR A 120 -40.655 115.879 4.416 1.00 23.13 C ATOM 110 CZ TYR A 120 -39.731 115.915 5.424 1.00 20.20 C ATOM 111 OH TYR A 120 -38.429 115.525 5.157 1.00 23.31 O ATOM 112 HH TYR A 120 -37.886 115.607 5.981 1.00 0.00 H ATOM 113 H TYR A 120 -43.734 115.302 8.443 1.00 0.00 H ATOM 114 N ARG A 121 -45.616 114.950 4.954 1.00 16.79 N ATOM 115 CA ARG A 121 -45.778 113.798 4.076 1.00 15.64 C ATOM 116 C ARG A 121 -45.682 114.276 2.638 1.00 18.42 C ATOM 117 O ARG A 121 -46.346 115.252 2.263 1.00 16.25 O ATOM 118 CB ARG A 121 -47.126 113.088 4.307 1.00 15.20 C ATOM 119 CG ARG A 121 -47.424 111.987 3.295 1.00 16.71 C ATOM 120 CD ARG A 121 -48.718 111.243 3.621 1.00 15.74 C ATOM 121 NE ARG A 121 -49.183 110.435 2.501 1.00 17.18 N ATOM 122 CZ ARG A 121 -50.419 109.955 2.380 1.00 19.30 C ATOM 123 NH1 ARG A 121 -51.329 110.165 3.326 1.00 18.54 N ATOM 124 NH2 ARG A 121 -50.749 109.263 1.300 1.00 18.41 N ATOM 125 HE ARG A 121 -48.503 110.218 1.745 1.00 0.00 H ATOM 126 HH12 ARG A 121 -52.290 109.783 3.217 1.00 0.00 H ATOM 127 HH11 ARG A 121 -51.080 110.711 4.175 1.00 0.00 H ATOM 128 HH22 ARG A 121 -51.713 108.885 1.199 1.00 0.00 H ATOM 129 HH21 ARG A 121 -50.045 109.097 0.553 1.00 0.00 H ATOM 130 H ARG A 121 -46.103 115.835 4.706 1.00 0.00 H ATOM 131 N ILE A 122 -44.850 113.598 1.845 1.00 17.14 N ATOM 132 CA ILE A 122 -44.763 113.847 0.411 1.00 13.92 C ATOM 133 C ILE A 122 -45.802 112.948 -0.251 1.00 14.72 C ATOM 134 O ILE A 122 -45.581 111.741 -0.425 1.00 16.21 O ATOM 135 CB ILE A 122 -43.357 113.591 -0.139 1.00 12.62 C ATOM 136 CG1 ILE A 122 -42.310 114.375 0.666 1.00 15.98 C ATOM 137 CG2 ILE A 122 -43.306 113.974 -1.620 1.00 13.39 C ATOM 138 CD1 ILE A 122 -40.849 114.035 0.298 1.00 16.18 C ATOM 139 H ILE A 122 -44.242 112.866 2.265 1.00 0.00 H ATOM 140 N VAL A 123 -46.930 113.549 -0.654 1.00 14.50 N ATOM 141 CA VAL A 123 -48.070 112.757 -1.099 1.00 15.73 C ATOM 142 C VAL A 123 -47.844 112.219 -2.505 1.00 15.19 C ATOM 143 O VAL A 123 -48.283 111.104 -2.819 1.00 15.73 O ATOM 144 CB VAL A 123 -49.359 113.593 -1.010 1.00 14.99 C ATOM 145 CG1 VAL A 123 -50.542 112.855 -1.652 1.00 18.70 C ATOM 146 CG2 VAL A 123 -49.671 113.923 0.443 1.00 18.34 C ATOM 147 H VAL A 123 -46.992 114.587 -0.649 1.00 0.00 H ATOM 148 N ASN A 124 -47.166 112.986 -3.360 1.00 15.46 N ATOM 149 CA ASN A 124 -46.803 112.556 -4.705 1.00 15.66 C ATOM 150 C ASN A 124 -45.583 113.360 -5.148 1.00 15.12 C ATOM 151 O ASN A 124 -45.086 114.230 -4.419 1.00 15.33 O ATOM 152 CB ASN A 124 -47.986 112.691 -5.683 1.00 14.86 C ATOM 153 CG ASN A 124 -48.628 114.055 -5.647 1.00 19.34 C ATOM 154 OD1 ASN A 124 -47.954 115.081 -5.516 1.00 16.57 O ATOM 155 ND2 ASN A 124 -49.954 114.072 -5.734 1.00 22.74 N ATOM 156 HD22 ASN A 124 -50.479 113.181 -5.844 1.00 0.00 H ATOM 157 HD21 ASN A 124 -50.466 114.976 -5.692 1.00 0.00 H ATOM 158 H ASN A 124 -46.882 113.938 -3.052 1.00 0.00 H ATOM 159 N TYR A 125 -45.105 113.059 -6.362 1.00 16.82 N ATOM 160 CA TYR A 125 -43.813 113.525 -6.851 1.00 13.64 C ATOM 161 C TYR A 125 -43.948 114.112 -8.248 1.00 15.34 C ATOM 162 O TYR A 125 -44.755 113.646 -9.058 1.00 17.90 O ATOM 163 CB TYR A 125 -42.801 112.366 -6.868 1.00 14.41 C ATOM 164 CG TYR A 125 -42.319 111.959 -5.499 1.00 16.98 C ATOM 165 CD1 TYR A 125 -43.055 111.080 -4.713 1.00 17.07 C ATOM 166 CD2 TYR A 125 -41.127 112.442 -4.986 1.00 16.34 C ATOM 167 CE1 TYR A 125 -42.621 110.702 -3.458 1.00 15.86 C ATOM 168 CE2 TYR A 125 -40.693 112.069 -3.721 1.00 15.43 C ATOM 169 CZ TYR A 125 -41.437 111.189 -2.966 1.00 16.65 C ATOM 170 OH TYR A 125 -40.992 110.814 -1.702 1.00 17.00 O ATOM 171 HH TYR A 125 -40.107 110.376 -1.781 1.00 0.00 H ATOM 172 H TYR A 125 -45.684 112.463 -6.987 1.00 0.00 H ATOM 173 N THR A 126 -43.126 115.135 -8.521 1.00 14.71 N ATOM 174 CA THR A 126 -43.044 115.740 -9.847 1.00 15.46 C ATOM 175 C THR A 126 -42.391 114.786 -10.852 1.00 17.08 C ATOM 176 O THR A 126 -41.511 113.992 -10.490 1.00 16.97 O ATOM 177 CB THR A 126 -42.227 117.041 -9.801 1.00 13.78 C ATOM 178 OG1 THR A 126 -42.019 117.536 -11.125 1.00 15.84 O ATOM 179 CG2 THR A 126 -40.845 116.819 -9.173 1.00 16.13 C ATOM 180 HG1 THR A 126 -42.895 117.716 -11.550 1.00 0.00 H ATOM 181 H THR A 126 -42.525 115.511 -7.760 1.00 0.00 H ATOM 182 N PRO A 127 -42.785 114.859 -12.130 1.00 16.49 N ATOM 183 CA PRO A 127 -42.030 114.139 -13.175 1.00 16.08 C ATOM 184 C PRO A 127 -40.602 114.617 -13.330 1.00 17.49 C ATOM 185 O PRO A 127 -39.773 113.895 -13.916 1.00 18.07 O ATOM 186 CB PRO A 127 -42.825 114.434 -14.453 1.00 18.22 C ATOM 187 CG PRO A 127 -44.179 114.882 -14.006 1.00 16.23 C ATOM 188 CD PRO A 127 -43.965 115.551 -12.681 1.00 16.17 C ATOM 189 N ASP A 128 -40.304 115.827 -12.852 1.00 16.92 N ATOM 190 CA ASP A 128 -39.119 116.580 -13.262 1.00 17.92 C ATOM 191 C ASP A 128 -37.830 116.127 -12.581 1.00 15.56 C ATOM 192 O ASP A 128 -36.739 116.432 -13.097 1.00 17.11 O ATOM 193 CB ASP A 128 -39.322 118.077 -12.959 1.00 16.88 C ATOM 194 CG ASP A 128 -40.624 118.658 -13.537 1.00 19.91 C ATOM 195 OD1 ASP A 128 -41.277 118.041 -14.392 1.00 22.27 O ATOM 196 OD2 ASP A 128 -40.979 119.783 -13.134 1.00 21.01 O ATOM 197 H ASP A 128 -40.945 116.255 -12.154 1.00 0.00 H ATOM 198 N MET A 129 -37.929 115.430 -11.446 1.00 15.09 N ATOM 199 CA MET A 129 -36.807 115.112 -10.565 1.00 16.62 C ATOM 200 C MET A 129 -37.003 113.716 -9.972 1.00 15.26 C ATOM 201 O MET A 129 -38.132 113.244 -9.840 1.00 16.79 O ATOM 202 CB MET A 129 -36.710 116.143 -9.422 1.00 17.59 C ATOM 203 CG MET A 129 -36.402 117.581 -9.869 1.00 17.44 C ATOM 204 SD MET A 129 -36.554 118.880 -8.594 1.00 18.96 S ATOM 205 CE MET A 129 -35.340 118.378 -7.372 1.00 22.16 C ATOM 206 H MET A 129 -38.872 115.089 -11.169 1.00 0.00 H ATOM 207 N THR A 130 -35.900 113.067 -9.572 1.00 15.77 N ATOM 208 CA THR A 130 -36.012 111.791 -8.865 1.00 14.80 C ATOM 209 C THR A 130 -36.658 111.988 -7.498 1.00 14.59 C ATOM 210 O THR A 130 -36.681 113.087 -6.943 1.00 15.25 O ATOM 211 CB THR A 130 -34.639 111.127 -8.662 1.00 14.79 C ATOM 212 OG1 THR A 130 -33.791 111.993 -7.885 1.00 17.21 O ATOM 213 CG2 THR A 130 -33.975 110.806 -9.992 1.00 15.35 C ATOM 214 HG1 THR A 130 -32.909 111.562 -7.757 1.00 0.00 H ATOM 215 H THR A 130 -34.962 113.472 -9.765 1.00 0.00 H ATOM 216 N HIS A 131 -37.196 110.896 -6.945 1.00 14.68 N ATOM 217 CA HIS A 131 -37.720 110.981 -5.586 1.00 12.46 C ATOM 218 C HIS A 131 -36.620 111.410 -4.636 1.00 16.48 C ATOM 219 O HIS A 131 -36.854 112.196 -3.711 1.00 17.52 O ATOM 220 CB HIS A 131 -38.282 109.643 -5.105 1.00 14.57 C ATOM 221 CG HIS A 131 -39.420 109.116 -5.920 1.00 17.14 C ATOM 222 ND1 HIS A 131 -39.993 107.887 -5.674 1.00 19.38 N ATOM 223 CD2 HIS A 131 -40.066 109.625 -6.991 1.00 19.52 C ATOM 224 CE1 HIS A 131 -40.964 107.675 -6.543 1.00 20.06 C ATOM 225 NE2 HIS A 131 -41.026 108.713 -7.357 1.00 19.49 N ATOM 226 H HIS A 131 -37.240 110.002 -7.474 1.00 0.00 H ATOM 227 N SER A 132 -35.405 110.892 -4.842 1.00 16.65 N ATOM 228 CA SER A 132 -34.311 111.199 -3.932 1.00 17.41 C ATOM 229 C SER A 132 -33.975 112.684 -3.956 1.00 15.52 C ATOM 230 O SER A 132 -33.677 113.272 -2.912 1.00 16.02 O ATOM 231 CB SER A 132 -33.086 110.359 -4.290 1.00 18.29 C ATOM 232 OG SER A 132 -33.370 108.980 -4.136 1.00 22.32 O ATOM 233 HG SER A 132 -32.567 108.451 -4.372 1.00 0.00 H ATOM 234 H SER A 132 -35.240 110.267 -5.656 1.00 0.00 H ATOM 235 N GLU A 133 -34.014 113.307 -5.136 1.00 16.22 N ATOM 236 CA GLU A 133 -33.697 114.734 -5.225 1.00 14.27 C ATOM 237 C GLU A 133 -34.816 115.587 -4.644 1.00 16.13 C ATOM 238 O GLU A 133 -34.541 116.626 -4.036 1.00 17.70 O ATOM 239 CB GLU A 133 -33.417 115.128 -6.673 1.00 17.29 C ATOM 240 CG GLU A 133 -32.041 114.703 -7.152 1.00 22.52 C ATOM 241 CD GLU A 133 -30.942 115.610 -6.651 1.00 31.96 C ATOM 242 OE1 GLU A 133 -29.917 115.058 -6.207 1.00 39.69 O ATOM 243 OE2 GLU A 133 -31.099 116.863 -6.690 1.00 32.65 O ATOM 244 H GLU A 133 -34.270 112.778 -5.994 1.00 0.00 H ATOM 245 N VAL A 134 -36.083 115.164 -4.813 1.00 14.48 N ATOM 246 CA VAL A 134 -37.196 115.872 -4.185 1.00 14.64 C ATOM 247 C VAL A 134 -37.082 115.784 -2.673 1.00 15.39 C ATOM 248 O VAL A 134 -37.250 116.783 -1.953 1.00 14.67 O ATOM 249 CB VAL A 134 -38.541 115.311 -4.688 1.00 13.21 C ATOM 250 CG1 VAL A 134 -39.723 115.826 -3.872 1.00 14.31 C ATOM 251 CG2 VAL A 134 -38.729 115.663 -6.146 1.00 14.06 C ATOM 252 H VAL A 134 -36.271 114.324 -5.397 1.00 0.00 H ATOM 253 N GLU A 135 -36.819 114.579 -2.170 1.00 15.63 N ATOM 254 CA GLU A 135 -36.697 114.371 -0.738 1.00 14.62 C ATOM 255 C GLU A 135 -35.567 115.208 -0.168 1.00 15.92 C ATOM 256 O GLU A 135 -35.728 115.845 0.879 1.00 16.24 O ATOM 257 CB GLU A 135 -36.488 112.879 -0.459 1.00 15.47 C ATOM 258 CG GLU A 135 -37.782 112.099 -0.672 1.00 15.37 C ATOM 259 CD GLU A 135 -37.586 110.646 -1.018 1.00 20.39 C ATOM 260 OE1 GLU A 135 -36.447 110.129 -0.906 1.00 21.78 O ATOM 261 OE2 GLU A 135 -38.593 110.016 -1.398 1.00 21.39 O ATOM 262 H GLU A 135 -36.699 113.772 -2.815 1.00 0.00 H ATOM 263 N LYS A 136 -34.423 115.226 -0.863 1.00 17.50 N ATOM 264 CA LYS A 136 -33.270 116.013 -0.435 1.00 19.35 C ATOM 265 C LYS A 136 -33.605 117.500 -0.376 1.00 18.47 C ATOM 266 O LYS A 136 -33.250 118.183 0.589 1.00 17.52 O ATOM 267 CB LYS A 136 -32.095 115.758 -1.388 1.00 19.63 C ATOM 268 CG LYS A 136 -30.819 116.494 -1.034 1.00 26.10 C ATOM 269 CD LYS A 136 -29.653 116.049 -1.915 1.00 35.10 C ATOM 270 CE LYS A 136 -29.419 116.987 -3.107 1.00 44.14 C ATOM 271 NZ LYS A 136 -28.126 116.699 -3.824 1.00 49.39 N ATOM 272 HZ1 LYS A 136 -27.331 116.816 -3.163 1.00 0.00 H ATOM 273 HZ2 LYS A 136 -28.140 115.723 -4.182 1.00 0.00 H ATOM 274 HZ3 LYS A 136 -28.017 117.360 -4.619 1.00 0.00 H ATOM 275 H LYS A 136 -34.353 114.662 -1.734 1.00 0.00 H ATOM 276 N ALA A 137 -34.304 118.014 -1.391 1.00 16.94 N ATOM 277 CA ALA A 137 -34.647 119.437 -1.414 1.00 15.88 C ATOM 278 C ALA A 137 -35.571 119.805 -0.262 1.00 17.54 C ATOM 279 O ALA A 137 -35.406 120.856 0.371 1.00 15.70 O ATOM 280 CB ALA A 137 -35.308 119.792 -2.745 1.00 17.12 C ATOM 281 H ALA A 137 -34.607 117.398 -2.172 1.00 0.00 H ATOM 282 N PHE A 138 -36.585 118.980 -0.001 1.00 15.39 N ATOM 283 CA PHE A 138 -37.522 119.303 1.069 1.00 13.92 C ATOM 284 C PHE A 138 -36.855 119.194 2.434 1.00 16.59 C ATOM 285 O PHE A 138 -37.111 120.015 3.322 1.00 16.53 O ATOM 286 CB PHE A 138 -38.741 118.383 1.005 1.00 14.09 C ATOM 287 CG PHE A 138 -39.678 118.642 -0.156 1.00 16.93 C ATOM 288 CD1 PHE A 138 -39.719 119.861 -0.820 1.00 16.64 C ATOM 289 CD2 PHE A 138 -40.556 117.647 -0.562 1.00 16.89 C ATOM 290 CE1 PHE A 138 -40.623 120.065 -1.880 1.00 16.64 C ATOM 291 CE2 PHE A 138 -41.445 117.844 -1.611 1.00 17.35 C ATOM 292 CZ PHE A 138 -41.477 119.050 -2.275 1.00 15.81 C ATOM 293 H PHE A 138 -36.707 118.110 -0.558 1.00 0.00 H ATOM 294 N LYS A 139 -36.008 118.174 2.631 1.00 18.40 N ATOM 295 CA LYS A 139 -35.300 118.044 3.899 1.00 19.78 C ATOM 296 C LYS A 139 -34.421 119.265 4.156 1.00 19.59 C ATOM 297 O LYS A 139 -34.401 119.806 5.270 1.00 19.89 O ATOM 298 CB LYS A 139 -34.466 116.762 3.898 1.00 18.52 C ATOM 299 CG LYS A 139 -33.862 116.406 5.220 1.00 25.41 C ATOM 300 CD LYS A 139 -33.106 115.077 5.097 1.00 32.54 C ATOM 301 CE LYS A 139 -32.577 114.572 6.430 1.00 40.01 C ATOM 302 NZ LYS A 139 -31.674 113.391 6.249 1.00 45.96 N ATOM 303 HZ1 LYS A 139 -32.201 112.621 5.790 1.00 0.00 H ATOM 304 HZ2 LYS A 139 -30.865 113.663 5.654 1.00 0.00 H ATOM 305 HZ3 LYS A 139 -31.331 113.072 7.178 1.00 0.00 H ATOM 306 H LYS A 139 -35.855 117.474 1.878 1.00 0.00 H ATOM 307 N LYS A 140 -33.699 119.719 3.125 1.00 17.88 N ATOM 308 CA LYS A 140 -32.850 120.903 3.244 1.00 18.62 C ATOM 309 C LYS A 140 -33.691 122.145 3.526 1.00 16.13 C ATOM 310 O LYS A 140 -33.304 123.009 4.324 1.00 16.87 O ATOM 311 CB LYS A 140 -32.038 121.066 1.956 1.00 19.31 C ATOM 312 CG LYS A 140 -30.965 122.162 1.957 1.00 26.37 C ATOM 313 CD LYS A 140 -30.328 122.275 0.556 1.00 31.32 C ATOM 314 CE LYS A 140 -29.401 123.472 0.409 1.00 39.04 C ATOM 315 NZ LYS A 140 -28.334 123.437 1.418 1.00 44.49 N ATOM 316 HZ1 LYS A 140 -28.756 123.456 2.368 1.00 0.00 H ATOM 317 HZ2 LYS A 140 -27.777 122.566 1.302 1.00 0.00 H ATOM 318 HZ3 LYS A 140 -27.716 124.264 1.296 1.00 0.00 H ATOM 319 H LYS A 140 -33.743 119.217 2.215 1.00 0.00 H ATOM 320 N ALA A 141 -34.872 122.225 2.910 1.00 16.59 N ATOM 321 CA ALA A 141 -35.745 123.377 3.113 1.00 16.34 C ATOM 322 C ALA A 141 -36.289 123.436 4.537 1.00 17.51 C ATOM 323 O ALA A 141 -36.379 124.521 5.117 1.00 18.84 O ATOM 324 CB ALA A 141 -36.882 123.348 2.100 1.00 15.16 C ATOM 325 H ALA A 141 -35.174 121.457 2.277 1.00 0.00 H ATOM 326 N PHE A 142 -36.674 122.295 5.121 1.00 16.13 N ATOM 327 CA PHE A 142 -37.094 122.319 6.520 1.00 14.93 C ATOM 328 C PHE A 142 -35.926 122.661 7.435 1.00 16.93 C ATOM 329 O PHE A 142 -36.109 123.349 8.446 1.00 18.23 O ATOM 330 CB PHE A 142 -37.718 120.975 6.920 1.00 19.33 C ATOM 331 CG PHE A 142 -39.137 120.779 6.421 1.00 16.52 C ATOM 332 CD1 PHE A 142 -40.171 121.590 6.861 1.00 17.35 C ATOM 333 CD2 PHE A 142 -39.433 119.767 5.517 1.00 17.65 C ATOM 334 CE1 PHE A 142 -41.471 121.419 6.388 1.00 16.97 C ATOM 335 CE2 PHE A 142 -40.731 119.566 5.055 1.00 18.32 C ATOM 336 CZ PHE A 142 -41.754 120.398 5.480 1.00 15.54 C ATOM 337 H PHE A 142 -36.674 121.403 4.586 1.00 0.00 H ATOM 338 N LYS A 143 -34.716 122.217 7.079 1.00 16.46 N ATOM 339 CA LYS A 143 -33.555 122.451 7.933 1.00 17.99 C ATOM 340 C LYS A 143 -33.191 123.928 7.990 1.00 17.36 C ATOM 341 O LYS A 143 -32.636 124.392 8.989 1.00 20.49 O ATOM 342 CB LYS A 143 -32.372 121.627 7.437 1.00 16.91 C ATOM 343 CG LYS A 143 -31.135 121.775 8.279 1.00 21.27 C ATOM 344 CD LYS A 143 -30.080 120.765 7.903 1.00 27.52 C ATOM 345 CE LYS A 143 -28.903 120.857 8.854 1.00 32.32 C ATOM 346 NZ LYS A 143 -28.150 122.122 8.676 1.00 34.29 N ATOM 347 HZ1 LYS A 143 -27.789 122.175 7.702 1.00 0.00 H ATOM 348 HZ2 LYS A 143 -28.781 122.928 8.857 1.00 0.00 H ATOM 349 HZ3 LYS A 143 -27.353 122.147 9.344 1.00 0.00 H ATOM 350 H LYS A 143 -34.601 121.699 6.184 1.00 0.00 H ATOM 351 N VAL A 144 -33.495 124.675 6.930 1.00 18.88 N ATOM 352 CA VAL A 144 -33.352 126.130 6.955 1.00 17.26 C ATOM 353 C VAL A 144 -34.016 126.712 8.201 1.00 19.58 C ATOM 354 O VAL A 144 -33.445 127.563 8.901 1.00 19.84 O ATOM 355 CB VAL A 144 -33.939 126.722 5.662 1.00 20.74 C ATOM 356 CG1 VAL A 144 -34.241 128.207 5.813 1.00 22.63 C ATOM 357 CG2 VAL A 144 -32.981 126.440 4.491 1.00 21.65 C ATOM 358 H VAL A 144 -33.842 124.213 6.065 1.00 0.00 H ATOM 359 N TRP A 145 -35.243 126.267 8.489 1.00 18.19 N ATOM 360 CA TRP A 145 -36.025 126.805 9.592 1.00 18.62 C ATOM 361 C TRP A 145 -35.710 126.129 10.918 1.00 20.86 C ATOM 362 O TRP A 145 -35.655 126.799 11.954 1.00 22.32 O ATOM 363 CB TRP A 145 -37.518 126.671 9.272 1.00 16.72 C ATOM 364 CG TRP A 145 -37.913 127.372 7.983 1.00 15.66 C ATOM 365 CD1 TRP A 145 -38.357 126.789 6.834 1.00 17.40 C ATOM 366 CD2 TRP A 145 -37.887 128.788 7.726 1.00 17.28 C ATOM 367 NE1 TRP A 145 -38.606 127.744 5.877 1.00 17.38 N ATOM 368 CE2 TRP A 145 -38.326 128.981 6.400 1.00 16.21 C ATOM 369 CE3 TRP A 145 -37.526 129.903 8.484 1.00 19.85 C ATOM 370 CZ2 TRP A 145 -38.414 130.245 5.823 1.00 14.71 C ATOM 371 CZ3 TRP A 145 -37.623 131.143 7.921 1.00 17.72 C ATOM 372 CH2 TRP A 145 -38.059 131.315 6.607 1.00 16.32 C ATOM 373 HE1 TRP A 145 -38.951 127.559 4.913 1.00 0.00 H ATOM 374 H TRP A 145 -35.653 125.510 7.905 1.00 0.00 H ATOM 375 N SER A 146 -35.507 124.813 10.923 1.00 20.08 N ATOM 376 CA SER A 146 -35.163 124.143 12.170 1.00 21.29 C ATOM 377 C SER A 146 -33.786 124.571 12.680 1.00 22.70 C ATOM 378 O SER A 146 -33.534 124.509 13.889 1.00 26.62 O ATOM 379 CB SER A 146 -35.228 122.618 11.991 1.00 21.86 C ATOM 380 OG SER A 146 -34.318 122.169 11.007 1.00 23.53 O ATOM 381 HG SER A 146 -33.397 122.413 11.275 1.00 0.00 H ATOM 382 H SER A 146 -35.593 124.267 10.042 1.00 0.00 H ATOM 383 N ASP A 147 -32.891 125.024 11.793 1.00 20.05 N ATOM 384 CA ASP A 147 -31.560 125.455 12.235 1.00 21.78 C ATOM 385 C ASP A 147 -31.586 126.743 13.055 1.00 22.19 C ATOM 386 O ASP A 147 -30.600 127.029 13.738 1.00 24.57 O ATOM 387 CB ASP A 147 -30.617 125.659 11.033 1.00 21.74 C ATOM 388 CG ASP A 147 -29.930 124.372 10.573 1.00 26.01 C ATOM 389 OD1 ASP A 147 -30.023 123.330 11.268 1.00 29.26 O ATOM 390 OD2 ASP A 147 -29.265 124.422 9.509 1.00 26.13 O ATOM 391 H ASP A 147 -33.141 125.071 10.785 1.00 0.00 H ATOM 392 N VAL A 148 -32.667 127.535 13.001 1.00 21.73 N ATOM 393 CA VAL A 148 -32.705 128.822 13.700 1.00 21.52 C ATOM 394 C VAL A 148 -33.916 128.949 14.625 1.00 23.07 C ATOM 395 O VAL A 148 -34.224 130.047 15.102 1.00 21.42 O ATOM 396 CB VAL A 148 -32.684 130.001 12.703 1.00 22.16 C ATOM 397 CG1 VAL A 148 -31.406 129.995 11.885 1.00 25.42 C ATOM 398 CG2 VAL A 148 -33.909 129.967 11.780 1.00 17.77 C ATOM 399 H VAL A 148 -33.495 127.229 12.452 1.00 0.00 H ATOM 400 N THR A 149 -34.595 127.837 14.911 1.00 23.95 N ATOM 401 CA THR A 149 -35.731 127.829 15.827 1.00 20.99 C ATOM 402 C THR A 149 -35.708 126.537 16.636 1.00 25.19 C ATOM 403 O THR A 149 -34.845 125.682 16.406 1.00 27.44 O ATOM 404 CB THR A 149 -37.053 127.920 15.069 1.00 20.56 C ATOM 405 OG1 THR A 149 -37.235 126.710 14.319 1.00 24.13 O ATOM 406 CG2 THR A 149 -37.074 129.125 14.147 1.00 22.32 C ATOM 407 HG1 THR A 149 -36.486 126.603 13.680 1.00 0.00 H ATOM 408 H THR A 149 -34.304 126.944 14.465 1.00 0.00 H ATOM 409 N PRO A 150 -36.639 126.337 17.571 1.00 24.85 N ATOM 410 CA PRO A 150 -36.793 125.019 18.196 1.00 27.49 C ATOM 411 C PRO A 150 -37.655 124.050 17.404 1.00 23.83 C ATOM 412 O PRO A 150 -37.969 122.976 17.921 1.00 26.98 O ATOM 413 CB PRO A 150 -37.461 125.348 19.544 1.00 26.78 C ATOM 414 CG PRO A 150 -37.557 126.862 19.605 1.00 25.47 C ATOM 415 CD PRO A 150 -37.506 127.335 18.213 1.00 22.77 C ATOM 416 N LEU A 151 -38.048 124.391 16.178 1.00 22.30 N ATOM 417 CA LEU A 151 -38.910 123.513 15.393 1.00 20.36 C ATOM 418 C LEU A 151 -38.169 122.242 14.983 1.00 25.07 C ATOM 419 O LEU A 151 -36.961 122.264 14.724 1.00 25.11 O ATOM 420 CB LEU A 151 -39.418 124.242 14.145 1.00 24.31 C ATOM 421 CG LEU A 151 -40.313 125.459 14.376 1.00 23.69 C ATOM 422 CD1 LEU A 151 -40.421 126.302 13.109 1.00 23.98 C ATOM 423 CD2 LEU A 151 -41.675 125.020 14.820 1.00 28.19 C ATOM 424 H LEU A 151 -37.736 125.297 15.774 1.00 0.00 H ATOM 425 N ASN A 152 -38.906 121.123 14.950 1.00 25.77 N ATOM 426 CA ASN A 152 -38.424 119.834 14.453 1.00 27.05 C ATOM 427 C ASN A 152 -39.427 119.272 13.459 1.00 26.17 C ATOM 428 O ASN A 152 -40.640 119.383 13.666 1.00 25.20 O ATOM 429 CB ASN A 152 -38.239 118.796 15.568 1.00 32.63 C ATOM 430 CG ASN A 152 -37.277 119.244 16.636 1.00 42.39 C ATOM 431 OD1 ASN A 152 -36.075 119.372 16.393 1.00 42.84 O ATOM 432 ND2 ASN A 152 -37.797 119.461 17.845 1.00 46.31 N ATOM 433 HD22 ASN A 152 -38.818 119.340 18.001 1.00 0.00 H ATOM 434 HD21 ASN A 152 -37.181 119.751 18.631 1.00 0.00 H ATOM 435 H ASN A 152 -39.884 121.174 15.300 1.00 0.00 H ATOM 436 N PHE A 153 -38.920 118.632 12.402 1.00 22.12 N ATOM 437 CA PHE A 153 -39.754 118.096 11.335 1.00 21.59 C ATOM 438 C PHE A 153 -39.418 116.631 11.114 1.00 24.08 C ATOM 439 O PHE A 153 -38.245 116.274 10.963 1.00 27.62 O ATOM 440 CB PHE A 153 -39.555 118.878 10.036 1.00 22.02 C ATOM 441 CG PHE A 153 -39.847 120.341 10.168 1.00 22.00 C ATOM 442 CD1 PHE A 153 -41.140 120.803 10.069 1.00 22.50 C ATOM 443 CD2 PHE A 153 -38.838 121.245 10.407 1.00 22.60 C ATOM 444 CE1 PHE A 153 -41.427 122.142 10.196 1.00 21.29 C ATOM 445 CE2 PHE A 153 -39.118 122.597 10.538 1.00 23.70 C ATOM 446 CZ PHE A 153 -40.417 123.041 10.429 1.00 20.99 C ATOM 447 H PHE A 153 -37.889 118.512 12.338 1.00 0.00 H ATOM 448 N THR A 154 -40.450 115.793 11.093 1.00 23.00 N ATOM 449 CA THR A 154 -40.321 114.370 10.825 1.00 24.86 C ATOM 450 C THR A 154 -41.220 113.992 9.654 1.00 24.80 C ATOM 451 O THR A 154 -42.350 114.486 9.532 1.00 24.32 O ATOM 452 CB THR A 154 -40.685 113.548 12.063 1.00 27.50 C ATOM 453 OG1 THR A 154 -39.816 113.916 13.141 1.00 30.58 O ATOM 454 CG2 THR A 154 -40.527 112.065 11.792 1.00 31.40 C ATOM 455 HG1 THR A 154 -39.925 114.880 13.337 1.00 0.00 H ATOM 456 H THR A 154 -41.399 116.176 11.278 1.00 0.00 H ATOM 457 N ARG A 155 -40.697 113.131 8.790 1.00 23.40 N ATOM 458 CA ARG A 155 -41.380 112.714 7.574 1.00 21.89 C ATOM 459 C ARG A 155 -42.195 111.442 7.816 1.00 22.19 C ATOM 460 O ARG A 155 -41.705 110.483 8.430 1.00 24.47 O ATOM 461 CB ARG A 155 -40.350 112.497 6.462 1.00 22.18 C ATOM 462 CG ARG A 155 -40.943 112.268 5.098 1.00 24.65 C ATOM 463 CD ARG A 155 -39.872 111.856 4.101 1.00 29.15 C ATOM 464 NE ARG A 155 -40.479 111.183 2.968 1.00 35.65 N ATOM 465 CZ ARG A 155 -39.859 110.314 2.183 1.00 32.20 C ATOM 466 NH1 ARG A 155 -38.589 109.983 2.392 1.00 28.76 N ATOM 467 NH2 ARG A 155 -40.525 109.780 1.183 1.00 31.00 N ATOM 468 HE ARG A 155 -41.474 111.399 2.756 1.00 0.00 H ATOM 469 HH12 ARG A 155 -38.120 109.299 1.765 1.00 0.00 H ATOM 470 HH11 ARG A 155 -38.064 110.408 3.183 1.00 0.00 H ATOM 471 HH22 ARG A 155 -40.058 109.096 0.554 1.00 0.00 H ATOM 472 HH21 ARG A 155 -41.518 110.042 1.021 1.00 0.00 H ATOM 473 H ARG A 155 -39.756 112.736 8.991 1.00 0.00 H ATOM 474 N LEU A 156 -43.430 111.435 7.317 1.00 21.67 N ATOM 475 CA LEU A 156 -44.320 110.280 7.376 1.00 22.61 C ATOM 476 C LEU A 156 -44.589 109.766 5.966 1.00 26.46 C ATOM 477 O LEU A 156 -44.629 110.541 5.004 1.00 23.64 O ATOM 478 CB LEU A 156 -45.664 110.627 8.042 1.00 22.36 C ATOM 479 CG LEU A 156 -45.633 111.203 9.459 1.00 25.41 C ATOM 480 CD1 LEU A 156 -47.028 111.552 9.929 1.00 24.65 C ATOM 481 CD2 LEU A 156 -44.976 110.237 10.414 1.00 24.58 C ATOM 482 H LEU A 156 -43.780 112.301 6.860 1.00 0.00 H ATOM 483 N HIS A 157 -44.802 108.450 5.855 1.00 24.23 N ATOM 484 CA HIS A 157 -45.056 107.817 4.567 1.00 26.38 C ATOM 485 C HIS A 157 -46.519 107.453 4.339 1.00 27.60 C ATOM 486 O HIS A 157 -46.862 106.997 3.243 1.00 29.50 O ATOM 487 CB HIS A 157 -44.191 106.561 4.430 1.00 29.77 C ATOM 488 CG HIS A 157 -42.724 106.841 4.514 1.00 37.55 C ATOM 489 ND1 HIS A 157 -41.950 107.088 3.401 1.00 39.49 N ATOM 490 CD2 HIS A 157 -41.892 106.934 5.579 1.00 40.59 C ATOM 491 CE1 HIS A 157 -40.701 107.305 3.776 1.00 40.31 C ATOM 492 NE2 HIS A 157 -40.640 107.221 5.093 1.00 40.25 N ATOM 493 H HIS A 157 -44.786 107.862 6.712 1.00 0.00 H ATOM 494 N ASP A 158 -47.382 107.644 5.329 1.00 27.25 N ATOM 495 CA ASP A 158 -48.797 107.332 5.186 1.00 32.01 C ATOM 496 C ASP A 158 -49.573 108.120 6.232 1.00 29.57 C ATOM 497 O ASP A 158 -48.998 108.723 7.144 1.00 28.54 O ATOM 498 CB ASP A 158 -49.053 105.827 5.319 1.00 39.08 C ATOM 499 CG ASP A 158 -48.379 105.229 6.536 1.00 47.06 C ATOM 500 OD1 ASP A 158 -48.875 105.461 7.658 1.00 49.37 O ATOM 501 OD2 ASP A 158 -47.361 104.523 6.371 1.00 50.89 O ATOM 502 H ASP A 158 -47.038 108.027 6.232 1.00 0.00 H ATOM 503 N GLY A 159 -50.894 108.116 6.080 1.00 27.51 N ATOM 504 CA GLY A 159 -51.745 108.822 7.006 1.00 28.91 C ATOM 505 C GLY A 159 -51.564 110.333 6.917 1.00 26.80 C ATOM 506 O GLY A 159 -50.982 110.881 5.977 1.00 27.65 O ATOM 507 H GLY A 159 -51.318 107.598 5.284 1.00 0.00 H ATOM 508 N ILE A 160 -52.084 111.005 7.934 1.00 25.85 N ATOM 509 CA ILE A 160 -52.158 112.464 7.941 1.00 27.11 C ATOM 510 C ILE A 160 -50.929 113.031 8.635 1.00 26.85 C ATOM 511 O ILE A 160 -50.553 112.583 9.726 1.00 32.28 O ATOM 512 CB ILE A 160 -53.452 112.943 8.626 1.00 31.31 C ATOM 513 CG1 ILE A 160 -54.664 112.267 7.981 1.00 39.54 C ATOM 514 CG2 ILE A 160 -53.582 114.457 8.528 1.00 32.21 C ATOM 515 CD1 ILE A 160 -54.833 112.551 6.492 1.00 43.01 C ATOM 516 H ILE A 160 -52.451 110.478 8.752 1.00 0.00 H ATOM 517 N ALA A 161 -50.300 114.006 7.990 1.00 21.78 N ATOM 518 CA ALA A 161 -49.203 114.792 8.533 1.00 19.83 C ATOM 519 C ALA A 161 -49.655 116.240 8.674 1.00 19.55 C ATOM 520 O ALA A 161 -50.608 116.676 8.021 1.00 21.80 O ATOM 521 CB ALA A 161 -47.974 114.721 7.615 1.00 20.16 C ATOM 522 H ALA A 161 -50.615 114.224 7.023 1.00 0.00 H ATOM 523 N ASP A 162 -48.952 117.008 9.510 1.00 17.97 N ATOM 524 CA ASP A 162 -49.308 118.420 9.639 1.00 15.80 C ATOM 525 C ASP A 162 -49.162 119.127 8.301 1.00 17.81 C ATOM 526 O ASP A 162 -50.068 119.841 7.856 1.00 20.17 O ATOM 527 CB ASP A 162 -48.442 119.105 10.695 1.00 15.98 C ATOM 528 CG ASP A 162 -48.585 118.478 12.067 1.00 19.17 C ATOM 529 OD1 ASP A 162 -49.723 118.409 12.577 1.00 23.01 O ATOM 530 OD2 ASP A 162 -47.556 118.053 12.637 1.00 22.32 O ATOM 531 H ASP A 162 -48.165 116.609 10.060 1.00 0.00 H ATOM 532 N ILE A 163 -48.023 118.934 7.643 1.00 18.64 N ATOM 533 CA ILE A 163 -47.698 119.610 6.395 1.00 18.81 C ATOM 534 C ILE A 163 -47.763 118.556 5.292 1.00 18.13 C ATOM 535 O ILE A 163 -46.828 117.768 5.097 1.00 19.32 O ATOM 536 CB ILE A 163 -46.331 120.307 6.468 1.00 16.16 C ATOM 537 CG1 ILE A 163 -46.394 121.456 7.496 1.00 16.00 C ATOM 538 CG2 ILE A 163 -45.914 120.812 5.098 1.00 17.06 C ATOM 539 CD1 ILE A 163 -45.059 121.996 7.917 1.00 16.61 C ATOM 540 H ILE A 163 -47.330 118.267 8.039 1.00 0.00 H ATOM 541 N MET A 164 -48.891 118.533 4.584 1.00 16.35 N ATOM 542 CA MET A 164 -49.091 117.678 3.423 1.00 14.51 C ATOM 543 C MET A 164 -48.581 118.392 2.174 1.00 16.45 C ATOM 544 O MET A 164 -49.000 119.514 1.877 1.00 19.26 O ATOM 545 CB MET A 164 -50.577 117.321 3.280 1.00 17.20 C ATOM 546 CG MET A 164 -51.196 116.628 4.498 1.00 18.73 C ATOM 547 SD MET A 164 -50.648 114.908 4.751 1.00 18.74 S ATOM 548 CE MET A 164 -51.765 114.021 3.678 1.00 19.90 C ATOM 549 H MET A 164 -49.669 119.158 4.876 1.00 0.00 H ATOM 550 N ILE A 165 -47.683 117.738 1.442 1.00 14.73 N ATOM 551 CA ILE A 165 -46.999 118.332 0.292 1.00 14.64 C ATOM 552 C ILE A 165 -47.417 117.572 -0.958 1.00 16.96 C ATOM 553 O ILE A 165 -47.366 116.336 -0.966 1.00 16.38 O ATOM 554 CB ILE A 165 -45.473 118.267 0.464 1.00 15.54 C ATOM 555 CG1 ILE A 165 -45.026 118.960 1.769 1.00 15.03 C ATOM 556 CG2 ILE A 165 -44.783 118.880 -0.757 1.00 16.70 C ATOM 557 CD1 ILE A 165 -43.593 118.618 2.157 1.00 17.70 C ATOM 558 H ILE A 165 -47.456 116.756 1.699 1.00 0.00 H ATOM 559 N SER A 166 -47.792 118.296 -2.021 1.00 16.68 N ATOM 560 CA SER A 166 -48.185 117.634 -3.256 1.00 16.78 C ATOM 561 C SER A 166 -47.888 118.515 -4.459 1.00 17.42 C ATOM 562 O SER A 166 -47.654 119.725 -4.350 1.00 17.09 O ATOM 563 CB SER A 166 -49.669 117.250 -3.249 1.00 17.77 C ATOM 564 OG SER A 166 -50.489 118.391 -3.122 1.00 20.65 O ATOM 565 HG SER A 166 -50.278 118.855 -2.273 1.00 0.00 H ATOM 566 H SER A 166 -47.802 119.334 -1.963 1.00 0.00 H ATOM 567 N PHE A 167 -47.858 117.855 -5.612 1.00 11.99 N ATOM 568 CA PHE A 167 -47.645 118.449 -6.924 1.00 14.64 C ATOM 569 C PHE A 167 -48.933 118.301 -7.723 1.00 12.94 C ATOM 570 O PHE A 167 -49.544 117.221 -7.729 1.00 16.94 O ATOM 571 CB PHE A 167 -46.501 117.748 -7.660 1.00 15.66 C ATOM 572 CG PHE A 167 -45.145 117.965 -7.039 1.00 15.70 C ATOM 573 CD1 PHE A 167 -44.683 117.136 -6.028 1.00 15.46 C ATOM 574 CD2 PHE A 167 -44.328 118.995 -7.477 1.00 13.75 C ATOM 575 CE1 PHE A 167 -43.437 117.329 -5.464 1.00 17.05 C ATOM 576 CE2 PHE A 167 -43.060 119.200 -6.914 1.00 18.02 C ATOM 577 CZ PHE A 167 -42.619 118.375 -5.912 1.00 17.99 C ATOM 578 H PHE A 167 -47.999 116.825 -5.574 1.00 0.00 H ATOM 579 N GLY A 168 -49.351 119.372 -8.388 1.00 14.73 N ATOM 580 CA GLY A 168 -50.567 119.318 -9.181 1.00 16.50 C ATOM 581 C GLY A 168 -50.605 120.436 -10.198 1.00 14.30 C ATOM 582 O GLY A 168 -49.715 121.286 -10.255 1.00 17.48 O ATOM 583 H GLY A 168 -48.804 120.255 -8.341 1.00 0.00 H ATOM 584 N ILE A 169 -51.671 120.431 -11.009 1.00 15.98 N ATOM 585 CA ILE A 169 -51.886 121.463 -12.014 1.00 15.42 C ATOM 586 C ILE A 169 -53.333 121.924 -11.962 1.00 19.86 C ATOM 587 O ILE A 169 -54.223 121.221 -11.472 1.00 19.83 O ATOM 588 CB ILE A 169 -51.536 120.978 -13.437 1.00 14.91 C ATOM 589 CG1 ILE A 169 -52.497 119.872 -13.876 1.00 16.09 C ATOM 590 CG2 ILE A 169 -50.091 120.494 -13.465 1.00 17.87 C ATOM 591 CD1 ILE A 169 -52.278 119.390 -15.293 1.00 17.63 C ATOM 592 H ILE A 169 -52.368 119.665 -10.918 1.00 0.00 H ATOM 593 N LYS A 170 -53.553 123.130 -12.473 1.00 20.19 N ATOM 594 CA LYS A 170 -54.903 123.702 -12.639 1.00 18.03 C ATOM 595 C LYS A 170 -55.689 123.470 -11.347 1.00 20.33 C ATOM 596 O LYS A 170 -55.162 123.758 -10.265 1.00 18.59 O ATOM 597 CB LYS A 170 -55.528 123.116 -13.902 1.00 19.90 C ATOM 598 CG LYS A 170 -54.673 123.287 -15.159 1.00 24.85 C ATOM 599 CD LYS A 170 -54.447 124.760 -15.481 1.00 28.73 C ATOM 600 CE LYS A 170 -53.659 124.949 -16.774 1.00 32.90 C ATOM 601 NZ LYS A 170 -54.300 124.308 -17.943 1.00 34.82 N ATOM 602 HZ1 LYS A 170 -54.386 123.286 -17.772 1.00 0.00 H ATOM 603 HZ2 LYS A 170 -55.245 124.718 -18.087 1.00 0.00 H ATOM 604 HZ3 LYS A 170 -53.718 124.472 -18.789 1.00 0.00 H ATOM 605 H LYS A 170 -52.734 123.698 -12.770 1.00 0.00 H ATOM 606 N GLU A 171 -56.932 122.984 -11.411 1.00 19.92 N ATOM 607 CA GLU A 171 -57.702 122.667 -10.214 1.00 19.33 C ATOM 608 C GLU A 171 -57.244 121.331 -9.645 1.00 20.45 C ATOM 609 O GLU A 171 -57.409 120.281 -10.290 1.00 23.15 O ATOM 610 CB GLU A 171 -59.195 122.621 -10.524 1.00 22.27 C ATOM 611 CG GLU A 171 -60.026 122.137 -9.354 1.00 22.62 C ATOM 612 CD GLU A 171 -59.864 122.984 -8.119 1.00 24.35 C ATOM 613 OE1 GLU A 171 -59.591 122.427 -7.022 1.00 24.81 O ATOM 614 OE2 GLU A 171 -60.010 124.219 -8.251 1.00 23.49 O ATOM 615 H GLU A 171 -57.364 122.827 -12.344 1.00 0.00 H ATOM 616 N HIS A 172 -56.725 121.359 -8.414 1.00 19.66 N ATOM 617 CA HIS A 172 -56.076 120.189 -7.828 1.00 17.90 C ATOM 618 C HIS A 172 -56.660 119.803 -6.471 1.00 18.08 C ATOM 619 O HIS A 172 -56.047 119.008 -5.742 1.00 20.12 O ATOM 620 CB HIS A 172 -54.571 120.426 -7.707 1.00 18.35 C ATOM 621 CG HIS A 172 -54.217 121.693 -6.989 1.00 16.97 C ATOM 622 ND1 HIS A 172 -54.128 122.911 -7.632 1.00 16.60 N ATOM 623 CD2 HIS A 172 -53.938 121.933 -5.686 1.00 15.36 C ATOM 624 CE1 HIS A 172 -53.808 123.849 -6.753 1.00 16.12 C ATOM 625 NE2 HIS A 172 -53.681 123.281 -5.566 1.00 17.61 N ATOM 626 H HIS A 172 -56.785 122.236 -7.859 1.00 0.00 H ATOM 627 N GLY A 173 -57.827 120.337 -6.110 1.00 17.12 N ATOM 628 CA GLY A 173 -58.542 119.817 -4.961 1.00 20.46 C ATOM 629 C GLY A 173 -58.978 120.842 -3.941 1.00 24.46 C ATOM 630 O GLY A 173 -59.875 120.559 -3.138 1.00 31.37 O ATOM 631 H GLY A 173 -58.226 121.129 -6.654 1.00 0.00 H ATOM 632 N ASP A 174 -58.378 122.035 -3.957 1.00 20.15 N ATOM 633 CA ASP A 174 -58.655 123.025 -2.930 1.00 19.73 C ATOM 634 C ASP A 174 -59.351 124.279 -3.438 1.00 19.22 C ATOM 635 O ASP A 174 -59.579 125.198 -2.643 1.00 18.57 O ATOM 636 CB ASP A 174 -57.353 123.421 -2.229 1.00 18.05 C ATOM 637 CG ASP A 174 -56.310 123.943 -3.184 1.00 18.79 C ATOM 638 OD1 ASP A 174 -56.603 124.183 -4.376 1.00 22.64 O ATOM 639 OD2 ASP A 174 -55.182 124.139 -2.714 1.00 19.53 O ATOM 640 H ASP A 174 -57.703 122.259 -4.716 1.00 0.00 H ATOM 641 N PHE A 175 -59.717 124.335 -4.716 1.00 18.46 N ATOM 642 CA PHE A 175 -60.413 125.473 -5.314 1.00 19.99 C ATOM 643 C PHE A 175 -59.575 126.757 -5.280 1.00 18.81 C ATOM 644 O PHE A 175 -60.118 127.872 -5.336 1.00 19.60 O ATOM 645 CB PHE A 175 -61.780 125.681 -4.652 1.00 20.13 C ATOM 646 CG PHE A 175 -62.724 124.514 -4.844 1.00 24.05 C ATOM 647 CD1 PHE A 175 -63.432 124.375 -6.027 1.00 24.65 C ATOM 648 CD2 PHE A 175 -62.895 123.560 -3.851 1.00 29.55 C ATOM 649 CE1 PHE A 175 -64.313 123.315 -6.223 1.00 27.91 C ATOM 650 CE2 PHE A 175 -63.784 122.472 -4.039 1.00 31.13 C ATOM 651 CZ PHE A 175 -64.492 122.365 -5.232 1.00 31.09 C ATOM 652 H PHE A 175 -59.495 123.522 -5.325 1.00 0.00 H ATOM 653 N TYR A 176 -58.248 126.613 -5.177 1.00 17.81 N ATOM 654 CA TYR A 176 -57.290 127.674 -5.475 1.00 15.64 C ATOM 655 C TYR A 176 -56.446 127.173 -6.643 1.00 15.11 C ATOM 656 O TYR A 176 -55.356 126.620 -6.448 1.00 19.02 O ATOM 657 CB TYR A 176 -56.441 128.026 -4.259 1.00 18.94 C ATOM 658 CG TYR A 176 -57.271 128.367 -3.060 1.00 21.11 C ATOM 659 CD1 TYR A 176 -57.820 129.628 -2.895 1.00 20.56 C ATOM 660 CD2 TYR A 176 -57.523 127.413 -2.093 1.00 24.21 C ATOM 661 CE1 TYR A 176 -58.612 129.923 -1.784 1.00 20.79 C ATOM 662 CE2 TYR A 176 -58.293 127.689 -1.001 1.00 24.52 C ATOM 663 CZ TYR A 176 -58.837 128.943 -0.842 1.00 21.10 C ATOM 664 OH TYR A 176 -59.616 129.171 0.267 1.00 23.09 O ATOM 665 HH TYR A 176 -59.940 130.107 0.255 1.00 0.00 H ATOM 666 H TYR A 176 -57.878 125.692 -4.867 1.00 0.00 H ATOM 667 N PRO A 177 -56.928 127.325 -7.869 1.00 16.77 N ATOM 668 CA PRO A 177 -56.295 126.632 -8.994 1.00 17.34 C ATOM 669 C PRO A 177 -54.997 127.286 -9.439 1.00 15.27 C ATOM 670 O PRO A 177 -54.800 128.497 -9.307 1.00 19.46 O ATOM 671 CB PRO A 177 -57.360 126.713 -10.094 1.00 16.69 C ATOM 672 CG PRO A 177 -58.150 127.935 -9.753 1.00 18.72 C ATOM 673 CD PRO A 177 -58.167 128.021 -8.269 1.00 18.56 C ATOM 674 N PHE A 178 -54.105 126.452 -9.972 1.00 16.46 N ATOM 675 CA PHE A 178 -52.909 126.945 -10.634 1.00 16.57 C ATOM 676 C PHE A 178 -53.235 127.334 -12.076 1.00 20.95 C ATOM 677 O PHE A 178 -54.333 127.073 -12.591 1.00 20.90 O ATOM 678 CB PHE A 178 -51.795 125.904 -10.572 1.00 15.12 C ATOM 679 CG PHE A 178 -51.210 125.715 -9.196 1.00 15.81 C ATOM 680 CD1 PHE A 178 -50.880 126.801 -8.409 1.00 14.75 C ATOM 681 CD2 PHE A 178 -50.981 124.432 -8.695 1.00 16.86 C ATOM 682 CE1 PHE A 178 -50.309 126.624 -7.137 1.00 16.35 C ATOM 683 CE2 PHE A 178 -50.421 124.243 -7.430 1.00 18.05 C ATOM 684 CZ PHE A 178 -50.079 125.347 -6.647 1.00 16.07 C ATOM 685 H PHE A 178 -54.268 125.427 -9.913 1.00 0.00 H ATOM 686 N ASP A 179 -52.258 127.974 -12.734 1.00 18.24 N ATOM 687 CA ASP A 179 -52.511 128.777 -13.927 1.00 16.40 C ATOM 688 C ASP A 179 -51.708 128.327 -15.146 1.00 18.69 C ATOM 689 O ASP A 179 -51.524 129.106 -16.088 1.00 21.27 O ATOM 690 CB ASP A 179 -52.227 130.248 -13.607 1.00 15.81 C ATOM 691 CG ASP A 179 -50.779 130.486 -13.184 1.00 15.69 C ATOM 692 OD1 ASP A 179 -50.040 129.489 -12.971 1.00 16.51 O ATOM 693 OD2 ASP A 179 -50.382 131.671 -13.059 1.00 17.13 O ATOM 694 H ASP A 179 -51.283 127.896 -12.381 1.00 0.00 H ATOM 695 N GLY A 180 -51.250 127.083 -15.170 1.00 16.17 N ATOM 696 CA GLY A 180 -50.432 126.609 -16.262 1.00 15.41 C ATOM 697 C GLY A 180 -49.007 127.121 -16.151 1.00 19.40 C ATOM 698 O GLY A 180 -48.608 127.676 -15.124 1.00 18.21 O ATOM 699 H GLY A 180 -51.484 126.437 -14.389 1.00 0.00 H ATOM 700 N PRO A 181 -48.212 126.934 -17.209 1.00 20.02 N ATOM 701 CA PRO A 181 -46.809 127.367 -17.168 1.00 19.57 C ATOM 702 C PRO A 181 -46.671 128.861 -16.921 1.00 19.98 C ATOM 703 O PRO A 181 -47.407 129.672 -17.490 1.00 21.68 O ATOM 704 CB PRO A 181 -46.280 126.997 -18.552 1.00 20.17 C ATOM 705 CG PRO A 181 -47.183 125.931 -19.041 1.00 22.13 C ATOM 706 CD PRO A 181 -48.529 126.197 -18.443 1.00 21.95 C ATOM 707 N SER A 182 -45.672 129.207 -16.104 1.00 19.64 N ATOM 708 CA SER A 182 -45.354 130.578 -15.725 1.00 20.83 C ATOM 709 C SER A 182 -46.359 131.119 -14.714 1.00 19.50 C ATOM 710 O SER A 182 -47.238 130.387 -14.247 1.00 18.63 O ATOM 711 CB SER A 182 -45.292 131.476 -16.955 1.00 24.03 C ATOM 712 OG SER A 182 -44.525 132.632 -16.663 1.00 26.33 O ATOM 713 HG SER A 182 -44.487 133.212 -17.464 1.00 0.00 H ATOM 714 H SER A 182 -45.081 128.446 -15.712 1.00 0.00 H ATOM 715 N GLY A 183 -46.226 132.392 -14.358 1.00 20.05 N ATOM 716 CA GLY A 183 -47.124 132.969 -13.368 1.00 20.84 C ATOM 717 C GLY A 183 -46.927 132.340 -12.000 1.00 16.81 C ATOM 718 O GLY A 183 -45.806 132.254 -11.489 1.00 20.66 O ATOM 719 H GLY A 183 -45.480 132.977 -14.787 1.00 0.00 H ATOM 720 N LEU A 184 -48.039 131.903 -11.398 1.00 16.28 N ATOM 721 CA LEU A 184 -48.014 131.268 -10.087 1.00 13.52 C ATOM 722 C LEU A 184 -47.146 130.013 -10.107 1.00 17.07 C ATOM 723 O LEU A 184 -47.229 129.200 -11.030 1.00 17.23 O ATOM 724 CB LEU A 184 -49.436 130.883 -9.654 1.00 15.44 C ATOM 725 CG LEU A 184 -50.516 131.960 -9.727 1.00 16.58 C ATOM 726 CD1 LEU A 184 -51.891 131.377 -9.315 1.00 20.59 C ATOM 727 CD2 LEU A 184 -50.151 133.158 -8.855 1.00 19.54 C ATOM 728 H LEU A 184 -48.952 132.021 -11.882 1.00 0.00 H ATOM 729 N LEU A 185 -46.345 129.838 -9.054 1.00 14.99 N ATOM 730 CA LEU A 185 -45.424 128.710 -8.935 1.00 11.96 C ATOM 731 C LEU A 185 -45.874 127.654 -7.935 1.00 14.30 C ATOM 732 O LEU A 185 -45.634 126.456 -8.146 1.00 16.63 O ATOM 733 CB LEU A 185 -44.040 129.201 -8.501 1.00 15.96 C ATOM 734 CG LEU A 185 -43.406 130.288 -9.358 1.00 14.23 C ATOM 735 CD1 LEU A 185 -42.052 130.668 -8.786 1.00 15.93 C ATOM 736 CD2 LEU A 185 -43.272 129.862 -10.800 1.00 16.50 C ATOM 737 H LEU A 185 -46.378 130.536 -8.284 1.00 0.00 H ATOM 738 N ALA A 186 -46.487 128.082 -6.841 1.00 12.57 N ATOM 739 CA ALA A 186 -46.741 127.246 -5.679 1.00 11.62 C ATOM 740 C ALA A 186 -47.531 128.083 -4.686 1.00 14.89 C ATOM 741 O ALA A 186 -47.578 129.314 -4.790 1.00 15.38 O ATOM 742 CB ALA A 186 -45.433 126.752 -5.037 1.00 15.55 C ATOM 743 H ALA A 186 -46.804 129.072 -6.812 1.00 0.00 H ATOM 744 N HIS A 187 -48.119 127.409 -3.698 1.00 14.15 N ATOM 745 CA HIS A 187 -48.754 128.120 -2.598 1.00 12.75 C ATOM 746 C HIS A 187 -48.829 127.215 -1.372 1.00 11.39 C ATOM 747 O HIS A 187 -48.733 125.982 -1.466 1.00 16.56 O ATOM 748 CB HIS A 187 -50.146 128.684 -2.984 1.00 15.94 C ATOM 749 CG HIS A 187 -51.181 127.675 -3.413 1.00 15.65 C ATOM 750 ND1 HIS A 187 -52.120 127.965 -4.381 1.00 18.53 N ATOM 751 CD2 HIS A 187 -51.461 126.417 -2.991 1.00 16.98 C ATOM 752 CE1 HIS A 187 -52.912 126.918 -4.561 1.00 16.64 C ATOM 753 NE2 HIS A 187 -52.548 125.973 -3.715 1.00 16.74 N ATOM 754 H HIS A 187 -48.124 126.369 -3.713 1.00 0.00 H ATOM 755 N ALA A 188 -49.000 127.857 -0.217 1.00 14.78 N ATOM 756 CA ALA A 188 -49.059 127.150 1.049 1.00 15.05 C ATOM 757 C ALA A 188 -50.008 127.857 2.001 1.00 17.03 C ATOM 758 O ALA A 188 -50.145 129.082 1.974 1.00 16.31 O ATOM 759 CB ALA A 188 -47.677 127.031 1.684 1.00 15.92 C ATOM 760 H ALA A 188 -49.094 128.893 -0.223 1.00 0.00 H ATOM 761 N PHE A 189 -50.647 127.066 2.857 1.00 17.22 N ATOM 762 CA PHE A 189 -51.634 127.550 3.815 1.00 16.97 C ATOM 763 C PHE A 189 -50.977 127.856 5.163 1.00 17.71 C ATOM 764 O PHE A 189 -50.078 127.116 5.600 1.00 19.59 O ATOM 765 CB PHE A 189 -52.730 126.515 4.019 1.00 16.59 C ATOM 766 CG PHE A 189 -53.547 126.241 2.784 1.00 17.47 C ATOM 767 CD1 PHE A 189 -53.123 125.346 1.822 1.00 16.79 C ATOM 768 CD2 PHE A 189 -54.749 126.892 2.599 1.00 20.96 C ATOM 769 CE1 PHE A 189 -53.906 125.096 0.686 1.00 22.05 C ATOM 770 CE2 PHE A 189 -55.536 126.664 1.475 1.00 21.48 C ATOM 771 CZ PHE A 189 -55.121 125.769 0.517 1.00 22.56 C ATOM 772 H PHE A 189 -50.432 126.049 2.843 1.00 0.00 H ATOM 773 N PRO A 190 -51.413 128.907 5.857 1.00 19.71 N ATOM 774 CA PRO A 190 -50.839 129.211 7.175 1.00 20.57 C ATOM 775 C PRO A 190 -51.140 128.112 8.178 1.00 19.04 C ATOM 776 O PRO A 190 -51.989 127.238 7.925 1.00 20.17 O ATOM 777 CB PRO A 190 -51.523 130.525 7.589 1.00 24.30 C ATOM 778 CG PRO A 190 -52.293 130.992 6.426 1.00 26.03 C ATOM 779 CD PRO A 190 -52.494 129.841 5.494 1.00 22.42 C ATOM 780 N PRO A 191 -50.473 128.143 9.335 1.00 22.43 N ATOM 781 CA PRO A 191 -50.703 127.124 10.368 1.00 21.83 C ATOM 782 C PRO A 191 -52.173 126.978 10.743 1.00 23.56 C ATOM 783 O PRO A 191 -52.913 127.962 10.896 1.00 23.96 O ATOM 784 CB PRO A 191 -49.867 127.630 11.551 1.00 21.84 C ATOM 785 CG PRO A 191 -48.748 128.387 10.909 1.00 21.51 C ATOM 786 CD PRO A 191 -49.367 129.050 9.696 1.00 21.13 C ATOM 787 N GLY A 192 -52.582 125.728 10.925 1.00 23.44 N ATOM 788 CA GLY A 192 -53.947 125.395 11.272 1.00 26.15 C ATOM 789 C GLY A 192 -54.244 123.946 10.922 1.00 27.40 C ATOM 790 O GLY A 192 -53.402 123.244 10.342 1.00 28.69 O ATOM 791 H GLY A 192 -51.893 124.957 10.814 1.00 0.00 H ATOM 792 N PRO A 193 -55.441 123.471 11.269 1.00 28.54 N ATOM 793 CA PRO A 193 -55.827 122.094 10.926 1.00 25.75 C ATOM 794 C PRO A 193 -56.151 121.963 9.448 1.00 24.59 C ATOM 795 O PRO A 193 -56.264 122.943 8.707 1.00 27.62 O ATOM 796 CB PRO A 193 -57.068 121.839 11.789 1.00 27.03 C ATOM 797 CG PRO A 193 -57.642 123.178 12.032 1.00 30.25 C ATOM 798 CD PRO A 193 -56.473 124.146 12.070 1.00 27.65 C ATOM 799 N ASN A 194 -56.297 120.713 9.021 1.00 25.86 N ATOM 800 CA ASN A 194 -56.755 120.375 7.670 1.00 26.01 C ATOM 801 C ASN A 194 -55.779 120.964 6.662 1.00 23.30 C ATOM 802 O ASN A 194 -54.592 120.594 6.700 1.00 24.07 O ATOM 803 CB ASN A 194 -58.202 120.831 7.534 1.00 26.69 C ATOM 804 CG ASN A 194 -59.098 120.162 8.546 1.00 35.83 C ATOM 805 OD1 ASN A 194 -58.984 118.954 8.784 1.00 38.53 O ATOM 806 ND2 ASN A 194 -59.979 120.940 9.169 1.00 40.29 N ATOM 807 HD22 ASN A 194 -60.037 121.951 8.934 1.00 0.00 H ATOM 808 HD21 ASN A 194 -60.610 120.537 9.891 1.00 0.00 H ATOM 809 H ASN A 194 -56.076 119.937 9.677 1.00 0.00 H ATOM 810 N TYR A 195 -56.208 121.840 5.745 1.00 21.59 N ATOM 811 CA TYR A 195 -55.278 122.359 4.743 1.00 18.17 C ATOM 812 C TYR A 195 -54.190 123.232 5.365 1.00 19.89 C ATOM 813 O TYR A 195 -53.158 123.456 4.728 1.00 18.39 O ATOM 814 CB TYR A 195 -56.026 123.158 3.667 1.00 18.60 C ATOM 815 CG TYR A 195 -56.759 122.331 2.625 1.00 28.03 C ATOM 816 CD1 TYR A 195 -56.170 121.209 2.060 1.00 34.38 C ATOM 817 CD2 TYR A 195 -58.039 122.680 2.200 1.00 34.44 C ATOM 818 CE1 TYR A 195 -56.826 120.458 1.105 1.00 37.21 C ATOM 819 CE2 TYR A 195 -58.708 121.926 1.243 1.00 35.70 C ATOM 820 CZ TYR A 195 -58.093 120.814 0.702 1.00 40.08 C ATOM 821 OH TYR A 195 -58.732 120.041 -0.255 1.00 46.84 O ATOM 822 HH TYR A 195 -58.141 119.293 -0.522 1.00 0.00 H ATOM 823 H TYR A 195 -57.201 122.151 5.745 1.00 0.00 H ATOM 824 N GLY A 196 -54.377 123.711 6.595 1.00 19.52 N ATOM 825 CA GLY A 196 -53.347 124.518 7.236 1.00 21.09 C ATOM 826 C GLY A 196 -51.982 123.854 7.155 1.00 17.53 C ATOM 827 O GLY A 196 -51.862 122.639 7.356 1.00 20.22 O ATOM 828 H GLY A 196 -55.263 123.507 7.100 1.00 0.00 H ATOM 829 N GLY A 197 -50.948 124.629 6.840 1.00 18.80 N ATOM 830 CA GLY A 197 -49.604 124.098 6.696 1.00 18.22 C ATOM 831 C GLY A 197 -49.290 123.449 5.367 1.00 18.15 C ATOM 832 O GLY A 197 -48.100 123.337 5.012 1.00 17.10 O ATOM 833 H GLY A 197 -51.107 125.646 6.692 1.00 0.00 H ATOM 834 N ASP A 198 -50.297 123.017 4.615 1.00 18.94 N ATOM 835 CA ASP A 198 -50.031 122.230 3.417 1.00 16.24 C ATOM 836 C ASP A 198 -49.388 123.098 2.345 1.00 16.50 C ATOM 837 O ASP A 198 -49.651 124.302 2.252 1.00 15.96 O ATOM 838 CB ASP A 198 -51.317 121.615 2.861 1.00 17.03 C ATOM 839 CG ASP A 198 -51.964 120.621 3.813 1.00 18.91 C ATOM 840 OD1 ASP A 198 -51.411 120.368 4.898 1.00 20.93 O ATOM 841 OD2 ASP A 198 -53.040 120.080 3.458 1.00 19.52 O ATOM 842 H ASP A 198 -51.277 123.241 4.882 1.00 0.00 H ATOM 843 N ALA A 199 -48.580 122.455 1.496 1.00 14.28 N ATOM 844 CA ALA A 199 -47.852 123.127 0.427 1.00 15.03 C ATOM 845 C ALA A 199 -48.086 122.408 -0.895 1.00 14.86 C ATOM 846 O ALA A 199 -47.932 121.185 -0.977 1.00 18.95 O ATOM 847 CB ALA A 199 -46.354 123.182 0.759 1.00 13.52 C ATOM 848 H ALA A 199 -48.465 121.427 1.603 1.00 0.00 H ATOM 849 N HIS A 200 -48.448 123.168 -1.930 1.00 14.40 N ATOM 850 CA HIS A 200 -48.737 122.637 -3.258 1.00 13.59 C ATOM 851 C HIS A 200 -47.847 123.299 -4.298 1.00 13.45 C ATOM 852 O HIS A 200 -47.688 124.518 -4.296 1.00 15.80 O ATOM 853 CB HIS A 200 -50.207 122.875 -3.671 1.00 15.97 C ATOM 854 CG HIS A 200 -51.205 122.325 -2.710 1.00 17.18 C ATOM 855 ND1 HIS A 200 -52.512 122.766 -2.655 1.00 16.57 N ATOM 856 CD2 HIS A 200 -51.096 121.348 -1.779 1.00 17.07 C ATOM 857 CE1 HIS A 200 -53.156 122.096 -1.716 1.00 17.46 C ATOM 858 NE2 HIS A 200 -52.320 121.227 -1.174 1.00 16.75 N ATOM 859 H HIS A 200 -48.529 124.194 -1.782 1.00 0.00 H ATOM 860 N PHE A 201 -47.289 122.497 -5.201 1.00 14.49 N ATOM 861 CA PHE A 201 -46.394 122.981 -6.245 1.00 13.43 C ATOM 862 C PHE A 201 -47.034 122.773 -7.615 1.00 16.14 C ATOM 863 O PHE A 201 -47.592 121.707 -7.892 1.00 16.04 O ATOM 864 CB PHE A 201 -45.032 122.256 -6.157 1.00 15.35 C ATOM 865 CG PHE A 201 -44.291 122.526 -4.875 1.00 18.55 C ATOM 866 CD1 PHE A 201 -44.591 121.811 -3.727 1.00 15.76 C ATOM 867 CD2 PHE A 201 -43.311 123.523 -4.809 1.00 18.76 C ATOM 868 CE1 PHE A 201 -43.928 122.061 -2.542 1.00 15.84 C ATOM 869 CE2 PHE A 201 -42.648 123.779 -3.628 1.00 16.72 C ATOM 870 CZ PHE A 201 -42.962 123.052 -2.484 1.00 14.85 C ATOM 871 H PHE A 201 -47.501 121.480 -5.160 1.00 0.00 H ATOM 872 N ASP A 202 -46.950 123.804 -8.469 1.00 13.99 N ATOM 873 CA ASP A 202 -47.543 123.791 -9.811 1.00 12.01 C ATOM 874 C ASP A 202 -46.638 122.999 -10.756 1.00 16.37 C ATOM 875 O ASP A 202 -45.571 123.480 -11.153 1.00 15.35 O ATOM 876 CB ASP A 202 -47.741 125.228 -10.301 1.00 13.18 C ATOM 877 CG ASP A 202 -48.432 125.316 -11.651 1.00 14.34 C ATOM 878 OD1 ASP A 202 -48.758 124.267 -12.232 1.00 17.15 O ATOM 879 OD2 ASP A 202 -48.671 126.453 -12.132 1.00 16.03 O ATOM 880 H ASP A 202 -46.438 124.656 -8.164 1.00 0.00 H ATOM 881 N ASP A 203 -47.047 121.780 -11.132 1.00 16.23 N ATOM 882 CA ASP A 203 -46.152 120.988 -11.970 1.00 16.55 C ATOM 883 C ASP A 203 -46.201 121.380 -13.439 1.00 16.37 C ATOM 884 O ASP A 203 -45.496 120.765 -14.255 1.00 20.07 O ATOM 885 CB ASP A 203 -46.430 119.498 -11.819 1.00 16.89 C ATOM 886 CG ASP A 203 -45.161 118.710 -11.537 1.00 16.03 C ATOM 887 OD1 ASP A 203 -44.079 119.038 -12.103 1.00 18.88 O ATOM 888 OD2 ASP A 203 -45.248 117.782 -10.725 1.00 20.23 O ATOM 889 H ASP A 203 -47.973 121.410 -10.836 1.00 0.00 H ATOM 890 N ASP A 204 -46.944 122.431 -13.796 1.00 14.97 N ATOM 891 CA ASP A 204 -46.742 123.005 -15.119 1.00 15.96 C ATOM 892 C ASP A 204 -45.460 123.834 -15.185 1.00 14.73 C ATOM 893 O ASP A 204 -45.064 124.252 -16.280 1.00 20.59 O ATOM 894 CB ASP A 204 -47.984 123.813 -15.529 1.00 16.81 C ATOM 895 CG ASP A 204 -49.081 122.912 -16.135 1.00 18.25 C ATOM 896 OD1 ASP A 204 -48.725 121.881 -16.768 1.00 19.14 O ATOM 897 OD2 ASP A 204 -50.284 123.209 -15.972 1.00 18.81 O ATOM 898 H ASP A 204 -47.650 122.830 -13.145 1.00 0.00 H ATOM 899 N GLU A 205 -44.782 124.033 -14.056 1.00 16.41 N ATOM 900 CA GLU A 205 -43.425 124.557 -14.043 1.00 16.70 C ATOM 901 C GLU A 205 -42.441 123.388 -14.077 1.00 17.14 C ATOM 902 O GLU A 205 -42.788 122.247 -13.753 1.00 16.08 O ATOM 903 CB GLU A 205 -43.145 125.400 -12.791 1.00 15.25 C ATOM 904 CG GLU A 205 -44.238 126.366 -12.366 1.00 17.67 C ATOM 905 CD GLU A 205 -44.689 127.276 -13.476 1.00 20.94 C ATOM 906 OE1 GLU A 205 -43.903 127.532 -14.417 1.00 22.58 O ATOM 907 OE2 GLU A 205 -45.849 127.726 -13.402 1.00 21.38 O ATOM 908 H GLU A 205 -45.240 123.805 -13.150 1.00 0.00 H ATOM 909 N THR A 206 -41.186 123.696 -14.440 1.00 17.01 N ATOM 910 CA THR A 206 -40.107 122.715 -14.451 1.00 17.42 C ATOM 911 C THR A 206 -39.280 122.900 -13.183 1.00 17.65 C ATOM 912 O THR A 206 -38.592 123.916 -13.018 1.00 20.85 O ATOM 913 CB THR A 206 -39.260 122.855 -15.709 1.00 20.03 C ATOM 914 OG1 THR A 206 -40.069 122.536 -16.850 1.00 21.21 O ATOM 915 CG2 THR A 206 -38.047 121.918 -15.669 1.00 22.79 C ATOM 916 HG1 THR A 206 -40.399 121.606 -16.769 1.00 0.00 H ATOM 917 H THR A 206 -40.975 124.674 -14.725 1.00 0.00 H ATOM 918 N TRP A 207 -39.368 121.918 -12.293 1.00 16.42 N ATOM 919 CA TRP A 207 -38.682 121.915 -11.005 1.00 16.11 C ATOM 920 C TRP A 207 -37.304 121.288 -11.159 1.00 16.42 C ATOM 921 O TRP A 207 -37.176 120.211 -11.753 1.00 18.25 O ATOM 922 CB TRP A 207 -39.519 121.145 -9.973 1.00 16.97 C ATOM 923 CG TRP A 207 -40.811 121.821 -9.807 1.00 13.55 C ATOM 924 CD1 TRP A 207 -42.026 121.435 -10.296 1.00 15.85 C ATOM 925 CD2 TRP A 207 -41.009 123.083 -9.167 1.00 14.43 C ATOM 926 NE1 TRP A 207 -42.981 122.384 -9.977 1.00 15.84 N ATOM 927 CE2 TRP A 207 -42.378 123.402 -9.281 1.00 14.48 C ATOM 928 CE3 TRP A 207 -40.159 123.965 -8.494 1.00 15.63 C ATOM 929 CZ2 TRP A 207 -42.920 124.575 -8.749 1.00 15.30 C ATOM 930 CZ3 TRP A 207 -40.695 125.132 -7.966 1.00 17.57 C ATOM 931 CH2 TRP A 207 -42.071 125.423 -8.095 1.00 17.99 C ATOM 932 HE1 TRP A 207 -43.990 122.334 -10.224 1.00 0.00 H ATOM 933 H TRP A 207 -39.964 121.099 -12.529 1.00 0.00 H ATOM 934 N THR A 208 -36.276 121.963 -10.633 1.00 16.73 N ATOM 935 CA THR A 208 -34.894 121.505 -10.775 1.00 17.17 C ATOM 936 C THR A 208 -34.120 121.583 -9.469 1.00 17.52 C ATOM 937 O THR A 208 -34.573 122.139 -8.466 1.00 18.14 O ATOM 938 CB THR A 208 -34.116 122.343 -11.790 1.00 19.21 C ATOM 939 OG1 THR A 208 -33.851 123.628 -11.202 1.00 20.15 O ATOM 940 CG2 THR A 208 -34.904 122.485 -13.080 1.00 19.42 C ATOM 941 HG1 THR A 208 -33.347 124.186 -11.845 1.00 0.00 H ATOM 942 H THR A 208 -36.465 122.840 -10.107 1.00 0.00 H ATOM 943 N SER A 209 -32.898 121.046 -9.513 1.00 18.16 N ATOM 944 CA SER A 209 -31.895 121.328 -8.489 1.00 21.47 C ATOM 945 C SER A 209 -30.734 122.108 -9.097 1.00 25.57 C ATOM 946 O SER A 209 -29.566 121.891 -8.767 1.00 26.72 O ATOM 947 CB SER A 209 -31.420 120.042 -7.824 1.00 27.24 C ATOM 948 OG SER A 209 -30.891 119.142 -8.772 1.00 31.55 O ATOM 949 HG SER A 209 -30.122 119.563 -9.232 1.00 0.00 H ATOM 950 H SER A 209 -32.654 120.409 -10.298 1.00 0.00 H ATOM 951 N SER A 210 -31.057 123.041 -9.989 1.00 25.68 N ATOM 952 CA SER A 210 -30.056 123.798 -10.732 1.00 28.05 C ATOM 953 C SER A 210 -30.514 125.249 -10.851 1.00 31.06 C ATOM 954 O SER A 210 -31.459 125.691 -10.186 1.00 29.76 O ATOM 955 CB SER A 210 -29.838 123.172 -12.115 1.00 26.30 C ATOM 956 OG SER A 210 -30.974 123.398 -12.935 1.00 26.85 O ATOM 957 HG SER A 210 -30.824 122.991 -13.825 1.00 0.00 H ATOM 958 H SER A 210 -32.063 123.238 -10.163 1.00 0.00 H ATOM 959 N SER A 211 -29.862 125.965 -11.760 1.00 28.80 N ATOM 960 CA SER A 211 -30.193 127.351 -12.032 1.00 30.28 C ATOM 961 C SER A 211 -31.302 127.432 -13.072 1.00 31.33 C ATOM 962 O SER A 211 -31.861 128.494 -13.301 1.00 35.67 O ATOM 963 CB SER A 211 -28.958 128.100 -12.542 1.00 33.61 C ATOM 964 OG SER A 211 -28.655 127.733 -13.874 1.00 35.85 O ATOM 965 HG SER A 211 -27.855 128.230 -14.178 1.00 0.00 H ATOM 966 H SER A 211 -29.090 125.518 -12.294 1.00 0.00 H ATOM 967 N LYS A 212 -31.612 126.306 -13.704 1.00 28.94 N ATOM 968 CA LYS A 212 -32.653 126.259 -14.725 1.00 29.12 C ATOM 969 C LYS A 212 -34.051 126.110 -14.112 1.00 26.02 C ATOM 970 O LYS A 212 -34.179 125.732 -12.960 1.00 24.33 O ATOM 971 CB LYS A 212 -32.383 125.122 -15.710 1.00 33.98 C ATOM 972 CG LYS A 212 -31.136 125.308 -16.561 1.00 41.82 C ATOM 973 CD LYS A 212 -31.152 124.367 -17.752 1.00 49.39 C ATOM 974 CE LYS A 212 -29.890 124.498 -18.586 1.00 57.24 C ATOM 975 NZ LYS A 212 -29.198 123.190 -18.747 1.00 62.06 N ATOM 976 HZ1 LYS A 212 -28.936 122.821 -17.811 1.00 0.00 H ATOM 977 HZ2 LYS A 212 -29.835 122.518 -19.220 1.00 0.00 H ATOM 978 HZ3 LYS A 212 -28.341 123.321 -19.322 1.00 0.00 H ATOM 979 H LYS A 212 -31.099 125.434 -13.465 1.00 0.00 H ATOM 980 N GLY A 213 -35.087 126.411 -14.890 1.00 22.46 N ATOM 981 CA GLY A 213 -36.457 126.320 -14.407 1.00 21.12 C ATOM 982 C GLY A 213 -36.564 126.998 -13.056 1.00 19.03 C ATOM 983 O GLY A 213 -35.987 128.058 -12.847 1.00 23.44 O ATOM 984 H GLY A 213 -34.914 126.719 -15.868 1.00 0.00 H ATOM 985 N TYR A 214 -37.305 126.384 -12.140 1.00 16.40 N ATOM 986 CA TYR A 214 -37.439 126.891 -10.781 1.00 16.74 C ATOM 987 C TYR A 214 -36.806 125.903 -9.812 1.00 15.60 C ATOM 988 O TYR A 214 -37.101 124.705 -9.854 1.00 16.52 O ATOM 989 CB TYR A 214 -38.911 127.149 -10.431 1.00 17.12 C ATOM 990 CG TYR A 214 -39.462 128.274 -11.266 1.00 18.39 C ATOM 991 CD1 TYR A 214 -39.292 129.598 -10.866 1.00 19.76 C ATOM 992 CD2 TYR A 214 -40.078 128.031 -12.487 1.00 21.29 C ATOM 993 CE1 TYR A 214 -39.752 130.648 -11.639 1.00 21.61 C ATOM 994 CE2 TYR A 214 -40.547 129.085 -13.273 1.00 20.40 C ATOM 995 CZ TYR A 214 -40.374 130.388 -12.841 1.00 24.19 C ATOM 996 OH TYR A 214 -40.834 131.437 -13.603 1.00 28.02 O ATOM 997 HH TYR A 214 -40.627 132.291 -13.146 1.00 0.00 H ATOM 998 H TYR A 214 -37.807 125.511 -12.402 1.00 0.00 H ATOM 999 N ASN A 215 -35.929 126.410 -8.951 1.00 16.01 N ATOM 1000 CA ASN A 215 -35.202 125.576 -7.997 1.00 16.36 C ATOM 1001 C ASN A 215 -36.138 125.124 -6.877 1.00 16.18 C ATOM 1002 O ASN A 215 -36.687 125.954 -6.140 1.00 17.08 O ATOM 1003 CB ASN A 215 -34.020 126.365 -7.437 1.00 19.23 C ATOM 1004 CG ASN A 215 -33.125 125.536 -6.553 1.00 22.73 C ATOM 1005 OD1 ASN A 215 -33.339 125.449 -5.347 1.00 22.37 O ATOM 1006 ND2 ASN A 215 -32.097 124.932 -7.145 1.00 22.89 N ATOM 1007 HD22 ASN A 215 -31.954 125.033 -8.170 1.00 0.00 H ATOM 1008 HD21 ASN A 215 -31.436 124.359 -6.582 1.00 0.00 H ATOM 1009 H ASN A 215 -35.755 127.435 -8.957 1.00 0.00 H ATOM 1010 N LEU A 216 -36.329 123.804 -6.751 1.00 15.88 N ATOM 1011 CA LEU A 216 -37.338 123.293 -5.827 1.00 13.04 C ATOM 1012 C LEU A 216 -36.978 123.604 -4.379 1.00 13.68 C ATOM 1013 O LEU A 216 -37.855 123.950 -3.574 1.00 16.61 O ATOM 1014 CB LEU A 216 -37.514 121.787 -6.035 1.00 15.67 C ATOM 1015 CG LEU A 216 -38.558 121.113 -5.148 1.00 14.04 C ATOM 1016 CD1 LEU A 216 -39.948 121.662 -5.460 1.00 16.41 C ATOM 1017 CD2 LEU A 216 -38.502 119.591 -5.288 1.00 16.37 C ATOM 1018 H LEU A 216 -35.757 123.141 -7.313 1.00 0.00 H ATOM 1019 N PHE A 217 -35.693 123.495 -4.028 1.00 14.31 N ATOM 1020 CA PHE A 217 -35.272 123.822 -2.672 1.00 15.28 C ATOM 1021 C PHE A 217 -35.660 125.250 -2.306 1.00 17.92 C ATOM 1022 O PHE A 217 -36.235 125.493 -1.240 1.00 17.36 O ATOM 1023 CB PHE A 217 -33.758 123.633 -2.510 1.00 15.47 C ATOM 1024 CG PHE A 217 -33.197 124.412 -1.361 1.00 15.60 C ATOM 1025 CD1 PHE A 217 -33.435 124.008 -0.059 1.00 17.80 C ATOM 1026 CD2 PHE A 217 -32.477 125.572 -1.576 1.00 16.33 C ATOM 1027 CE1 PHE A 217 -32.948 124.728 1.007 1.00 19.72 C ATOM 1028 CE2 PHE A 217 -31.984 126.308 -0.506 1.00 18.38 C ATOM 1029 CZ PHE A 217 -32.226 125.885 0.787 1.00 19.20 C ATOM 1030 H PHE A 217 -34.991 123.176 -4.726 1.00 0.00 H ATOM 1031 N LEU A 218 -35.337 126.213 -3.175 1.00 18.29 N ATOM 1032 CA LEU A 218 -35.610 127.620 -2.866 1.00 17.85 C ATOM 1033 C LEU A 218 -37.105 127.876 -2.730 1.00 17.06 C ATOM 1034 O LEU A 218 -37.552 128.560 -1.798 1.00 15.59 O ATOM 1035 CB LEU A 218 -35.028 128.521 -3.949 1.00 19.22 C ATOM 1036 CG LEU A 218 -33.550 128.846 -3.892 1.00 24.26 C ATOM 1037 CD1 LEU A 218 -33.197 129.658 -5.133 1.00 28.69 C ATOM 1038 CD2 LEU A 218 -33.205 129.619 -2.618 1.00 25.65 C ATOM 1039 H LEU A 218 -34.888 125.962 -4.079 1.00 0.00 H ATOM 1040 N VAL A 219 -37.898 127.365 -3.670 1.00 15.56 N ATOM 1041 CA VAL A 219 -39.336 127.607 -3.592 1.00 14.71 C ATOM 1042 C VAL A 219 -39.933 126.893 -2.390 1.00 14.07 C ATOM 1043 O VAL A 219 -40.807 127.439 -1.707 1.00 15.60 O ATOM 1044 CB VAL A 219 -40.028 127.210 -4.906 1.00 15.60 C ATOM 1045 CG1 VAL A 219 -41.560 127.381 -4.783 1.00 16.69 C ATOM 1046 CG2 VAL A 219 -39.483 128.068 -6.050 1.00 16.35 C ATOM 1047 H VAL A 219 -37.499 126.802 -4.448 1.00 0.00 H ATOM 1048 N ALA A 220 -39.466 125.671 -2.097 1.00 15.88 N ATOM 1049 CA ALA A 220 -39.987 124.941 -0.943 1.00 14.71 C ATOM 1050 C ALA A 220 -39.656 125.656 0.357 1.00 15.48 C ATOM 1051 O ALA A 220 -40.504 125.747 1.254 1.00 16.62 O ATOM 1052 CB ALA A 220 -39.442 123.507 -0.914 1.00 16.85 C ATOM 1053 H ALA A 220 -38.730 125.241 -2.693 1.00 0.00 H ATOM 1054 N ALA A 221 -38.421 126.161 0.489 1.00 13.04 N ATOM 1055 CA ALA A 221 -38.060 126.869 1.711 1.00 14.94 C ATOM 1056 C ALA A 221 -38.976 128.070 1.927 1.00 12.53 C ATOM 1057 O ALA A 221 -39.420 128.323 3.052 1.00 14.05 O ATOM 1058 CB ALA A 221 -36.587 127.290 1.665 1.00 16.12 C ATOM 1059 H ALA A 221 -37.725 126.048 -0.276 1.00 0.00 H ATOM 1060 N HIS A 222 -39.287 128.793 0.849 1.00 13.53 N ATOM 1061 CA HIS A 222 -40.237 129.910 0.896 1.00 13.54 C ATOM 1062 C HIS A 222 -41.644 129.431 1.256 1.00 16.23 C ATOM 1063 O HIS A 222 -42.304 130.009 2.130 1.00 17.15 O ATOM 1064 CB HIS A 222 -40.210 130.625 -0.467 1.00 15.52 C ATOM 1065 CG HIS A 222 -41.211 131.738 -0.638 1.00 17.70 C ATOM 1066 ND1 HIS A 222 -40.833 133.062 -0.697 1.00 15.54 N ATOM 1067 CD2 HIS A 222 -42.552 131.727 -0.835 1.00 14.40 C ATOM 1068 CE1 HIS A 222 -41.897 133.819 -0.899 1.00 16.10 C ATOM 1069 NE2 HIS A 222 -42.952 133.034 -0.991 1.00 15.67 N ATOM 1070 H HIS A 222 -38.839 128.555 -0.059 1.00 0.00 H ATOM 1071 N GLU A 223 -42.122 128.365 0.605 1.00 14.13 N ATOM 1072 CA GLU A 223 -43.453 127.856 0.925 1.00 14.26 C ATOM 1073 C GLU A 223 -43.538 127.429 2.379 1.00 15.28 C ATOM 1074 O GLU A 223 -44.526 127.733 3.071 1.00 17.31 O ATOM 1075 CB GLU A 223 -43.827 126.679 0.021 1.00 13.69 C ATOM 1076 CG GLU A 223 -44.062 127.044 -1.427 1.00 16.88 C ATOM 1077 CD GLU A 223 -45.042 128.205 -1.584 1.00 16.75 C ATOM 1078 OE1 GLU A 223 -46.043 128.250 -0.855 1.00 20.81 O ATOM 1079 OE2 GLU A 223 -44.797 129.089 -2.426 1.00 18.11 O ATOM 1080 H GLU A 223 -41.548 127.900 -0.127 1.00 0.00 H ATOM 1081 N PHE A 224 -42.520 126.712 2.865 1.00 14.67 N ATOM 1082 CA PHE A 224 -42.565 126.257 4.253 1.00 14.75 C ATOM 1083 C PHE A 224 -42.519 127.437 5.220 1.00 15.94 C ATOM 1084 O PHE A 224 -43.041 127.342 6.337 1.00 16.74 O ATOM 1085 CB PHE A 224 -41.423 125.278 4.528 1.00 16.55 C ATOM 1086 CG PHE A 224 -41.449 124.027 3.672 1.00 16.00 C ATOM 1087 CD1 PHE A 224 -42.616 123.599 3.047 1.00 17.47 C ATOM 1088 CD2 PHE A 224 -40.297 123.267 3.512 1.00 17.20 C ATOM 1089 CE1 PHE A 224 -42.622 122.436 2.266 1.00 17.30 C ATOM 1090 CE2 PHE A 224 -40.295 122.107 2.736 1.00 18.09 C ATOM 1091 CZ PHE A 224 -41.448 121.694 2.114 1.00 19.41 C ATOM 1092 H PHE A 224 -41.705 126.480 2.262 1.00 0.00 H ATOM 1093 N GLY A 225 -41.908 128.554 4.813 1.00 17.05 N ATOM 1094 CA GLY A 225 -42.057 129.789 5.577 1.00 18.34 C ATOM 1095 C GLY A 225 -43.519 130.174 5.756 1.00 17.48 C ATOM 1096 O GLY A 225 -43.965 130.464 6.872 1.00 17.64 O ATOM 1097 H GLY A 225 -41.326 128.543 3.951 1.00 0.00 H ATOM 1098 N HIS A 226 -44.291 130.171 4.656 1.00 17.97 N ATOM 1099 CA HIS A 226 -45.736 130.397 4.754 1.00 18.74 C ATOM 1100 C HIS A 226 -46.393 129.318 5.626 1.00 15.44 C ATOM 1101 O HIS A 226 -47.252 129.627 6.465 1.00 16.98 O ATOM 1102 CB HIS A 226 -46.391 130.436 3.351 1.00 14.99 C ATOM 1103 CG HIS A 226 -45.983 131.592 2.466 1.00 17.19 C ATOM 1104 ND1 HIS A 226 -45.878 132.888 2.919 1.00 16.32 N ATOM 1105 CD2 HIS A 226 -45.719 131.646 1.131 1.00 16.56 C ATOM 1106 CE1 HIS A 226 -45.531 133.686 1.918 1.00 16.08 C ATOM 1107 NE2 HIS A 226 -45.408 132.957 0.820 1.00 9.43 N ATOM 1108 H HIS A 226 -43.858 130.006 3.725 1.00 0.00 H ATOM 1109 N SER A 227 -46.005 128.043 5.443 1.00 18.80 N ATOM 1110 CA SER A 227 -46.557 126.949 6.249 1.00 19.33 C ATOM 1111 C SER A 227 -46.376 127.182 7.739 1.00 21.35 C ATOM 1112 O SER A 227 -47.178 126.688 8.545 1.00 20.19 O ATOM 1113 CB SER A 227 -45.902 125.605 5.901 1.00 16.93 C ATOM 1114 OG SER A 227 -46.151 125.212 4.581 1.00 16.91 O ATOM 1115 HG SER A 227 -47.127 125.120 4.444 1.00 0.00 H ATOM 1116 H SER A 227 -45.297 127.828 4.713 1.00 0.00 H ATOM 1117 N LEU A 228 -45.326 127.897 8.123 1.00 18.79 N ATOM 1118 CA LEU A 228 -45.024 128.154 9.518 1.00 16.60 C ATOM 1119 C LEU A 228 -45.597 129.477 10.024 1.00 15.78 C ATOM 1120 O LEU A 228 -45.468 129.768 11.220 1.00 19.35 O ATOM 1121 CB LEU A 228 -43.505 128.138 9.725 1.00 16.84 C ATOM 1122 CG LEU A 228 -42.822 126.796 9.438 1.00 19.39 C ATOM 1123 CD1 LEU A 228 -41.300 126.945 9.447 1.00 19.57 C ATOM 1124 CD2 LEU A 228 -43.246 125.757 10.452 1.00 19.67 C ATOM 1125 H LEU A 228 -44.695 128.288 7.395 1.00 0.00 H ATOM 1126 N GLY A 229 -46.196 130.289 9.148 1.00 18.82 N ATOM 1127 CA GLY A 229 -46.893 131.500 9.545 1.00 17.81 C ATOM 1128 C GLY A 229 -46.282 132.814 9.073 1.00 19.64 C ATOM 1129 O GLY A 229 -46.793 133.877 9.453 1.00 19.95 O ATOM 1130 H GLY A 229 -46.162 130.043 8.138 1.00 0.00 H ATOM 1131 N LEU A 230 -45.229 132.790 8.257 1.00 18.69 N ATOM 1132 CA LEU A 230 -44.616 134.021 7.781 1.00 19.05 C ATOM 1133 C LEU A 230 -45.388 134.592 6.606 1.00 18.44 C ATOM 1134 O LEU A 230 -45.841 133.853 5.733 1.00 20.57 O ATOM 1135 CB LEU A 230 -43.170 133.789 7.342 1.00 19.48 C ATOM 1136 CG LEU A 230 -42.189 133.374 8.420 1.00 17.53 C ATOM 1137 CD1 LEU A 230 -40.823 133.143 7.797 1.00 18.75 C ATOM 1138 CD2 LEU A 230 -42.105 134.381 9.544 1.00 22.49 C ATOM 1139 H LEU A 230 -44.838 131.875 7.955 1.00 0.00 H ATOM 1140 N ASP A 231 -45.515 135.919 6.587 1.00 19.48 N ATOM 1141 CA ASP A 231 -46.049 136.602 5.417 1.00 21.10 C ATOM 1142 C ASP A 231 -44.891 137.027 4.517 1.00 18.73 C ATOM 1143 O ASP A 231 -43.736 136.643 4.734 1.00 23.55 O ATOM 1144 CB ASP A 231 -46.885 137.811 5.838 1.00 32.57 C ATOM 1145 CG ASP A 231 -48.165 137.442 6.521 1.00 50.74 C ATOM 1146 OD1 ASP A 231 -48.810 136.472 6.101 1.00 60.10 O ATOM 1147 OD2 ASP A 231 -48.527 138.110 7.483 1.00 57.43 O ATOM 1148 H ASP A 231 -45.229 136.474 7.419 1.00 0.00 H ATOM 1149 N HIS A 232 -45.153 137.872 3.526 1.00 19.29 N ATOM 1150 CA HIS A 232 -44.076 138.297 2.642 1.00 17.05 C ATOM 1151 C HIS A 232 -43.264 139.425 3.257 1.00 19.01 C ATOM 1152 O HIS A 232 -43.752 140.220 4.062 1.00 23.41 O ATOM 1153 CB HIS A 232 -44.609 138.733 1.281 1.00 15.70 C ATOM 1154 CG HIS A 232 -45.002 137.583 0.405 1.00 17.32 C ATOM 1155 ND1 HIS A 232 -46.221 137.513 -0.236 1.00 16.17 N ATOM 1156 CD2 HIS A 232 -44.344 136.442 0.087 1.00 16.63 C ATOM 1157 CE1 HIS A 232 -46.292 136.381 -0.915 1.00 15.88 C ATOM 1158 NE2 HIS A 232 -45.164 135.717 -0.740 1.00 17.19 N ATOM 1159 H HIS A 232 -46.120 138.227 3.382 1.00 0.00 H ATOM 1160 N SER A 233 -42.001 139.465 2.871 1.00 17.70 N ATOM 1161 CA SER A 233 -41.075 140.505 3.274 1.00 15.98 C ATOM 1162 C SER A 233 -41.018 141.590 2.207 1.00 20.06 C ATOM 1163 O SER A 233 -41.218 141.325 1.019 1.00 21.83 O ATOM 1164 CB SER A 233 -39.690 139.900 3.477 1.00 17.85 C ATOM 1165 OG SER A 233 -38.728 140.887 3.732 1.00 20.24 O ATOM 1166 HG SER A 233 -38.976 141.384 4.552 1.00 0.00 H ATOM 1167 H SER A 233 -41.653 138.711 2.245 1.00 0.00 H ATOM 1168 N LYS A 234 -40.748 142.821 2.644 1.00 21.74 N ATOM 1169 CA LYS A 234 -40.488 143.928 1.729 1.00 20.04 C ATOM 1170 C LYS A 234 -39.009 144.061 1.405 1.00 17.02 C ATOM 1171 O LYS A 234 -38.639 144.902 0.574 1.00 19.31 O ATOM 1172 CB LYS A 234 -41.005 145.241 2.327 1.00 23.60 C ATOM 1173 CG LYS A 234 -42.528 145.340 2.392 1.00 28.29 C ATOM 1174 CD LYS A 234 -42.979 146.572 3.159 1.00 37.83 C ATOM 1175 CE LYS A 234 -44.499 146.686 3.183 1.00 44.40 C ATOM 1176 NZ LYS A 234 -45.016 147.733 2.241 1.00 48.83 N ATOM 1177 HZ1 LYS A 234 -44.622 148.659 2.504 1.00 0.00 H ATOM 1178 HZ2 LYS A 234 -44.729 147.496 1.270 1.00 0.00 H ATOM 1179 HZ3 LYS A 234 -46.054 147.767 2.298 1.00 0.00 H ATOM 1180 H LYS A 234 -40.722 142.997 3.669 1.00 0.00 H ATOM 1181 N ASP A 235 -38.172 143.250 2.047 1.00 19.82 N ATOM 1182 CA ASP A 235 -36.724 143.270 1.832 1.00 18.55 C ATOM 1183 C ASP A 235 -36.403 142.484 0.566 1.00 16.59 C ATOM 1184 O ASP A 235 -36.668 141.273 0.522 1.00 20.01 O ATOM 1185 CB ASP A 235 -36.018 142.653 3.040 1.00 17.64 C ATOM 1186 CG ASP A 235 -34.497 142.767 2.978 1.00 20.01 C ATOM 1187 OD1 ASP A 235 -33.950 142.925 1.872 1.00 22.55 O ATOM 1188 OD2 ASP A 235 -33.843 142.678 4.046 1.00 20.64 O ATOM 1189 H ASP A 235 -38.564 142.572 2.732 1.00 0.00 H ATOM 1190 N PRO A 236 -35.865 143.115 -0.482 1.00 20.49 N ATOM 1191 CA PRO A 236 -35.681 142.394 -1.752 1.00 21.01 C ATOM 1192 C PRO A 236 -34.717 141.221 -1.662 1.00 18.85 C ATOM 1193 O PRO A 236 -34.771 140.335 -2.526 1.00 25.37 O ATOM 1194 CB PRO A 236 -35.165 143.475 -2.712 1.00 21.85 C ATOM 1195 CG PRO A 236 -34.669 144.567 -1.845 1.00 22.94 C ATOM 1196 CD PRO A 236 -35.486 144.532 -0.600 1.00 19.90 C ATOM 1197 N GLY A 237 -33.842 141.181 -0.659 1.00 18.47 N ATOM 1198 CA GLY A 237 -32.960 140.043 -0.471 1.00 20.78 C ATOM 1199 C GLY A 237 -33.511 138.908 0.373 1.00 19.57 C ATOM 1200 O GLY A 237 -32.826 137.891 0.559 1.00 18.30 O ATOM 1201 H GLY A 237 -33.789 141.981 0.003 1.00 0.00 H ATOM 1202 N ALA A 238 -34.724 139.036 0.898 1.00 18.80 N ATOM 1203 CA ALA A 238 -35.251 138.036 1.815 1.00 17.41 C ATOM 1204 C ALA A 238 -35.755 136.806 1.063 1.00 16.14 C ATOM 1205 O ALA A 238 -36.254 136.896 -0.067 1.00 19.37 O ATOM 1206 CB ALA A 238 -36.390 138.625 2.653 1.00 18.91 C ATOM 1207 H ALA A 238 -35.305 139.862 0.651 1.00 0.00 H ATOM 1208 N LEU A 239 -35.652 135.645 1.725 1.00 15.54 N ATOM 1209 CA LEU A 239 -36.253 134.428 1.184 1.00 16.24 C ATOM 1210 C LEU A 239 -37.754 134.614 1.001 1.00 15.02 C ATOM 1211 O LEU A 239 -38.340 134.106 0.039 1.00 18.88 O ATOM 1212 CB LEU A 239 -35.958 133.234 2.104 1.00 18.35 C ATOM 1213 CG LEU A 239 -36.623 131.902 1.726 1.00 15.19 C ATOM 1214 CD1 LEU A 239 -36.122 131.371 0.388 1.00 18.42 C ATOM 1215 CD2 LEU A 239 -36.430 130.871 2.801 1.00 14.98 C ATOM 1216 H LEU A 239 -35.141 135.610 2.630 1.00 0.00 H ATOM 1217 N MET A 240 -38.384 135.359 1.902 1.00 17.61 N ATOM 1218 CA MET A 240 -39.822 135.584 1.868 1.00 15.88 C ATOM 1219 C MET A 240 -40.234 136.807 1.049 1.00 17.95 C ATOM 1220 O MET A 240 -41.381 137.245 1.158 1.00 19.60 O ATOM 1221 CB MET A 240 -40.359 135.707 3.298 1.00 14.56 C ATOM 1222 CG MET A 240 -40.212 134.428 4.141 1.00 14.95 C ATOM 1223 SD MET A 240 -40.719 132.883 3.362 1.00 16.89 S ATOM 1224 CE MET A 240 -42.461 133.222 3.034 1.00 15.87 C ATOM 1225 H MET A 240 -37.828 135.799 2.662 1.00 0.00 H ATOM 1226 N PHE A 241 -39.340 137.367 0.243 1.00 15.76 N ATOM 1227 CA PHE A 241 -39.744 138.362 -0.741 1.00 18.49 C ATOM 1228 C PHE A 241 -40.711 137.698 -1.729 1.00 16.18 C ATOM 1229 O PHE A 241 -40.607 136.495 -1.981 1.00 17.34 O ATOM 1230 CB PHE A 241 -38.515 138.902 -1.462 1.00 21.39 C ATOM 1231 CG PHE A 241 -38.745 140.188 -2.216 1.00 20.49 C ATOM 1232 CD1 PHE A 241 -39.095 141.352 -1.546 1.00 22.09 C ATOM 1233 CD2 PHE A 241 -38.572 140.240 -3.591 1.00 24.33 C ATOM 1234 CE1 PHE A 241 -39.289 142.542 -2.236 1.00 23.42 C ATOM 1235 CE2 PHE A 241 -38.758 141.433 -4.296 1.00 24.55 C ATOM 1236 CZ PHE A 241 -39.117 142.585 -3.615 1.00 22.37 C ATOM 1237 H PHE A 241 -38.340 137.092 0.315 1.00 0.00 H ATOM 1238 N PRO A 242 -41.687 138.430 -2.283 1.00 20.14 N ATOM 1239 CA PRO A 242 -42.697 137.740 -3.105 1.00 20.26 C ATOM 1240 C PRO A 242 -42.237 137.344 -4.505 1.00 21.22 C ATOM 1241 O PRO A 242 -42.887 136.486 -5.116 1.00 20.82 O ATOM 1242 CB PRO A 242 -43.861 138.738 -3.167 1.00 22.75 C ATOM 1243 CG PRO A 242 -43.345 140.011 -2.742 1.00 21.32 C ATOM 1244 CD PRO A 242 -42.088 139.816 -1.970 1.00 19.29 C ATOM 1245 N ILE A 243 -41.139 137.902 -5.017 1.00 21.12 N ATOM 1246 CA ILE A 243 -40.697 137.682 -6.390 1.00 20.95 C ATOM 1247 C ILE A 243 -39.498 136.740 -6.387 1.00 21.04 C ATOM 1248 O ILE A 243 -38.515 136.971 -5.668 1.00 23.77 O ATOM 1249 CB ILE A 243 -40.367 139.016 -7.079 1.00 24.73 C ATOM 1250 CG1 ILE A 243 -41.662 139.829 -7.243 1.00 29.93 C ATOM 1251 CG2 ILE A 243 -39.691 138.778 -8.431 1.00 26.73 C ATOM 1252 CD1 ILE A 243 -41.450 141.227 -7.647 1.00 35.86 C ATOM 1253 H ILE A 243 -40.570 138.524 -4.408 1.00 0.00 H ATOM 1254 N TYR A 244 -39.582 135.687 -7.205 1.00 19.70 N ATOM 1255 CA TYR A 244 -38.539 134.670 -7.290 1.00 19.14 C ATOM 1256 C TYR A 244 -37.387 135.148 -8.149 1.00 18.82 C ATOM 1257 O TYR A 244 -37.598 135.622 -9.272 1.00 22.07 O ATOM 1258 CB TYR A 244 -39.095 133.385 -7.896 1.00 19.54 C ATOM 1259 CG TYR A 244 -38.045 132.303 -8.149 1.00 19.48 C ATOM 1260 CD1 TYR A 244 -37.358 132.237 -9.359 1.00 19.15 C ATOM 1261 CD2 TYR A 244 -37.745 131.349 -7.184 1.00 20.27 C ATOM 1262 CE1 TYR A 244 -36.401 131.261 -9.596 1.00 20.58 C ATOM 1263 CE2 TYR A 244 -36.781 130.357 -7.421 1.00 17.17 C ATOM 1264 CZ TYR A 244 -36.114 130.324 -8.626 1.00 17.77 C ATOM 1265 OH TYR A 244 -35.165 129.338 -8.868 1.00 21.50 O ATOM 1266 HH TYR A 244 -34.786 129.461 -9.774 1.00 0.00 H ATOM 1267 H TYR A 244 -40.425 135.588 -7.806 1.00 0.00 H ATOM 1268 N THR A 245 -36.172 134.997 -7.622 1.00 20.92 N ATOM 1269 CA THR A 245 -34.936 135.191 -8.364 1.00 24.36 C ATOM 1270 C THR A 245 -33.991 134.059 -7.980 1.00 23.10 C ATOM 1271 O THR A 245 -34.205 133.374 -6.985 1.00 24.85 O ATOM 1272 CB THR A 245 -34.288 136.546 -8.050 1.00 27.23 C ATOM 1273 OG1 THR A 245 -33.801 136.535 -6.702 1.00 27.64 O ATOM 1274 CG2 THR A 245 -35.292 137.679 -8.222 1.00 28.51 C ATOM 1275 HG1 THR A 245 -34.555 136.375 -6.081 1.00 0.00 H ATOM 1276 H THR A 245 -36.104 134.724 -6.621 1.00 0.00 H ATOM 1277 N TYR A 246 -32.944 133.852 -8.770 1.00 23.86 N ATOM 1278 CA TYR A 246 -31.967 132.800 -8.479 1.00 27.62 C ATOM 1279 C TYR A 246 -30.567 133.408 -8.526 1.00 31.67 C ATOM 1280 O TYR A 246 -30.029 133.647 -9.608 1.00 33.28 O ATOM 1281 CB TYR A 246 -32.102 131.634 -9.459 1.00 28.66 C ATOM 1282 CG TYR A 246 -31.141 130.516 -9.173 1.00 28.78 C ATOM 1283 CD1 TYR A 246 -29.863 130.522 -9.716 1.00 35.22 C ATOM 1284 CD2 TYR A 246 -31.494 129.468 -8.338 1.00 27.74 C ATOM 1285 CE1 TYR A 246 -28.972 129.510 -9.447 1.00 36.17 C ATOM 1286 CE2 TYR A 246 -30.615 128.452 -8.060 1.00 26.33 C ATOM 1287 CZ TYR A 246 -29.353 128.476 -8.616 1.00 34.31 C ATOM 1288 OH TYR A 246 -28.461 127.468 -8.351 1.00 39.32 O ATOM 1289 HH TYR A 246 -27.612 127.646 -8.829 1.00 0.00 H ATOM 1290 H TYR A 246 -32.815 134.449 -9.612 1.00 0.00 H ATOM 1291 N THR A 247 -29.981 133.639 -7.353 1.00 35.19 N ATOM 1292 CA THR A 247 -28.691 134.326 -7.241 1.00 40.40 C ATOM 1293 C THR A 247 -27.528 133.400 -7.583 1.00 41.06 C ATOM 1294 O THR A 247 -27.537 132.217 -7.234 1.00 39.81 O ATOM 1295 CB THR A 247 -28.481 134.892 -5.821 1.00 46.21 C ATOM 1296 OG1 THR A 247 -28.358 133.813 -4.882 1.00 49.90 O ATOM 1297 CG2 THR A 247 -29.646 135.787 -5.419 1.00 48.55 C ATOM 1298 HG1 THR A 247 -29.183 133.267 -4.899 1.00 0.00 H ATOM 1299 H THR A 247 -30.456 133.320 -6.484 1.00 0.00 H TER 1300 THR A 247 ATOM 1301 N HIS A 251 -23.456 128.180 -1.352 1.00 40.71 N ATOM 1302 CA HIS A 251 -24.025 127.693 -0.100 1.00 36.77 C ATOM 1303 C HIS A 251 -25.079 128.672 0.414 1.00 30.87 C ATOM 1304 O HIS A 251 -24.770 129.801 0.779 1.00 31.69 O ATOM 1305 CB HIS A 251 -22.937 127.496 0.964 1.00 41.63 C ATOM 1306 CG HIS A 251 -21.901 126.519 0.608 1.00 50.03 C ATOM 1307 ND1 HIS A 251 -21.738 125.365 1.243 1.00 53.28 N ATOM 1308 CD2 HIS A 251 -20.987 126.517 -0.334 1.00 52.27 C ATOM 1309 CE1 HIS A 251 -20.765 124.699 0.712 1.00 51.69 C ATOM 1310 NE2 HIS A 251 -20.291 125.376 -0.247 1.00 52.81 N ATOM 1311 HN3 HIS A 251 -23.012 129.107 -1.192 1.00 0.00 H ATOM 1312 HN2 HIS A 251 -24.211 128.273 -2.061 1.00 0.00 H ATOM 1313 HN1 HIS A 251 -22.741 127.506 -1.692 1.00 0.00 H ATOM 1314 N PHE A 252 -26.292 128.140 0.501 1.00 30.51 N ATOM 1315 CA PHE A 252 -27.426 128.948 0.920 1.00 23.56 C ATOM 1316 C PHE A 252 -27.260 129.403 2.363 1.00 23.99 C ATOM 1317 O PHE A 252 -26.851 128.632 3.233 1.00 23.39 O ATOM 1318 CB PHE A 252 -28.728 128.155 0.772 1.00 23.86 C ATOM 1319 CG PHE A 252 -29.962 128.936 1.178 1.00 22.94 C ATOM 1320 CD1 PHE A 252 -30.607 129.765 0.271 1.00 24.35 C ATOM 1321 CD2 PHE A 252 -30.449 128.864 2.471 1.00 22.33 C ATOM 1322 CE1 PHE A 252 -31.736 130.490 0.642 1.00 23.10 C ATOM 1323 CE2 PHE A 252 -31.569 129.591 2.854 1.00 25.24 C ATOM 1324 CZ PHE A 252 -32.211 130.410 1.936 1.00 25.62 C ATOM 1325 H PHE A 252 -26.433 127.136 0.267 1.00 0.00 H ATOM 1326 N MET A 253 -27.586 130.673 2.609 1.00 21.16 N ATOM 1327 CA MET A 253 -27.631 131.231 3.951 1.00 21.68 C ATOM 1328 C MET A 253 -28.955 131.964 4.104 1.00 20.54 C ATOM 1329 O MET A 253 -29.294 132.807 3.268 1.00 22.62 O ATOM 1330 CB MET A 253 -26.455 132.184 4.194 1.00 21.37 C ATOM 1331 CG MET A 253 -25.101 131.653 3.695 1.00 19.76 C ATOM 1332 SD MET A 253 -23.794 132.905 3.767 1.00 21.28 S ATOM 1333 CE MET A 253 -23.634 133.085 5.525 1.00 21.04 C ATOM 1334 H MET A 253 -27.818 131.291 1.806 1.00 0.00 H ATOM 1335 N LEU A 254 -29.699 131.639 5.157 1.00 18.62 N ATOM 1336 CA LEU A 254 -31.008 132.260 5.379 1.00 17.04 C ATOM 1337 C LEU A 254 -30.845 133.766 5.632 1.00 16.81 C ATOM 1338 O LEU A 254 -30.123 134.153 6.568 1.00 20.72 O ATOM 1339 CB LEU A 254 -31.699 131.595 6.565 1.00 18.48 C ATOM 1340 CG LEU A 254 -33.130 132.048 6.855 1.00 17.56 C ATOM 1341 CD1 LEU A 254 -34.034 131.789 5.659 1.00 19.19 C ATOM 1342 CD2 LEU A 254 -33.688 131.352 8.100 1.00 17.44 C ATOM 1343 H LEU A 254 -29.346 130.933 5.834 1.00 0.00 H ATOM 1344 N PRO A 255 -31.454 134.640 4.828 1.00 16.03 N ATOM 1345 CA PRO A 255 -31.253 136.080 5.035 1.00 15.86 C ATOM 1346 C PRO A 255 -31.726 136.546 6.406 1.00 17.23 C ATOM 1347 O PRO A 255 -32.588 135.941 7.048 1.00 18.03 O ATOM 1348 CB PRO A 255 -32.072 136.719 3.908 1.00 18.78 C ATOM 1349 CG PRO A 255 -32.034 135.705 2.828 1.00 17.61 C ATOM 1350 CD PRO A 255 -32.142 134.377 3.551 1.00 16.41 C ATOM 1351 N ASP A 256 -31.147 137.666 6.848 1.00 16.43 N ATOM 1352 CA ASP A 256 -31.358 138.119 8.218 1.00 17.99 C ATOM 1353 C ASP A 256 -32.814 138.507 8.481 1.00 20.09 C ATOM 1354 O ASP A 256 -33.316 138.293 9.590 1.00 22.75 O ATOM 1355 CB ASP A 256 -30.407 139.283 8.520 1.00 17.86 C ATOM 1356 CG ASP A 256 -28.959 138.812 8.705 1.00 18.84 C ATOM 1357 OD1 ASP A 256 -28.740 137.890 9.535 1.00 18.24 O ATOM 1358 OD2 ASP A 256 -28.051 139.345 8.008 1.00 16.66 O ATOM 1359 H ASP A 256 -30.541 138.219 6.210 1.00 0.00 H ATOM 1360 N ASP A 257 -33.515 139.071 7.493 1.00 18.71 N ATOM 1361 CA ASP A 257 -34.927 139.400 7.716 1.00 17.30 C ATOM 1362 C ASP A 257 -35.734 138.141 8.007 1.00 18.31 C ATOM 1363 O ASP A 257 -36.630 138.145 8.859 1.00 23.35 O ATOM 1364 CB ASP A 257 -35.519 140.141 6.512 1.00 19.24 C ATOM 1365 CG ASP A 257 -36.939 140.675 6.789 1.00 22.43 C ATOM 1366 OD1 ASP A 257 -37.066 141.573 7.652 1.00 24.68 O ATOM 1367 OD2 ASP A 257 -37.922 140.193 6.164 1.00 23.94 O ATOM 1368 H ASP A 257 -33.065 139.274 6.578 1.00 0.00 H ATOM 1369 N ASP A 258 -35.408 137.042 7.328 1.00 17.40 N ATOM 1370 CA ASP A 258 -36.134 135.795 7.547 1.00 18.05 C ATOM 1371 C ASP A 258 -35.801 135.191 8.909 1.00 16.71 C ATOM 1372 O ASP A 258 -36.692 134.664 9.589 1.00 18.26 O ATOM 1373 CB ASP A 258 -35.831 134.811 6.419 1.00 18.02 C ATOM 1374 CG ASP A 258 -36.061 135.417 5.040 1.00 20.85 C ATOM 1375 OD1 ASP A 258 -37.234 135.688 4.666 1.00 21.13 O ATOM 1376 OD2 ASP A 258 -35.066 135.637 4.331 1.00 21.10 O ATOM 1377 H ASP A 258 -34.631 137.073 6.637 1.00 0.00 H ATOM 1378 N VAL A 259 -34.525 135.233 9.316 1.00 18.39 N ATOM 1379 CA VAL A 259 -34.148 134.790 10.661 1.00 17.27 C ATOM 1380 C VAL A 259 -34.951 135.551 11.708 1.00 19.81 C ATOM 1381 O VAL A 259 -35.533 134.958 12.625 1.00 20.16 O ATOM 1382 CB VAL A 259 -32.634 134.978 10.889 1.00 18.65 C ATOM 1383 CG1 VAL A 259 -32.246 134.538 12.283 1.00 19.18 C ATOM 1384 CG2 VAL A 259 -31.823 134.194 9.864 1.00 22.78 C ATOM 1385 H VAL A 259 -33.792 135.585 8.668 1.00 0.00 H ATOM 1386 N GLN A 260 -34.952 136.883 11.613 1.00 21.82 N ATOM 1387 CA GLN A 260 -35.701 137.740 12.529 1.00 24.93 C ATOM 1388 C GLN A 260 -37.180 137.365 12.559 1.00 22.65 C ATOM 1389 O GLN A 260 -37.798 137.337 13.629 1.00 22.12 O ATOM 1390 CB GLN A 260 -35.541 139.207 12.123 1.00 29.87 C ATOM 1391 CG GLN A 260 -36.549 140.143 12.690 1.00 42.62 C ATOM 1392 CD GLN A 260 -36.215 141.601 12.450 1.00 51.38 C ATOM 1393 OE1 GLN A 260 -37.040 142.453 12.492 1.00 56.26 O ATOM 1394 NE2 GLN A 260 -35.000 141.896 12.201 1.00 53.95 N ATOM 1395 HE22 GLN A 260 -34.280 141.147 12.165 1.00 0.00 H ATOM 1396 HE21 GLN A 260 -34.729 142.886 12.034 1.00 0.00 H ATOM 1397 H GLN A 260 -34.396 137.329 10.855 1.00 0.00 H ATOM 1398 N GLY A 261 -37.753 137.174 11.371 1.00 22.05 N ATOM 1399 CA GLY A 261 -39.187 136.924 11.277 1.00 20.65 C ATOM 1400 C GLY A 261 -39.601 135.610 11.914 1.00 21.51 C ATOM 1401 O GLY A 261 -40.588 135.554 12.656 1.00 22.72 O ATOM 1402 H GLY A 261 -37.175 137.203 10.507 1.00 0.00 H ATOM 1403 N ILE A 262 -38.862 134.532 11.629 1.00 20.91 N ATOM 1404 CA ILE A 262 -39.244 133.230 12.172 1.00 20.86 C ATOM 1405 C ILE A 262 -38.947 133.165 13.668 1.00 20.72 C ATOM 1406 O ILE A 262 -39.670 132.504 14.427 1.00 24.15 O ATOM 1407 CB ILE A 262 -38.560 132.087 11.387 1.00 18.63 C ATOM 1408 CG1 ILE A 262 -39.286 130.759 11.646 1.00 18.38 C ATOM 1409 CG2 ILE A 262 -37.058 131.985 11.713 1.00 19.42 C ATOM 1410 CD1 ILE A 262 -40.599 130.622 10.898 1.00 19.67 C ATOM 1411 H ILE A 262 -38.020 134.620 11.024 1.00 0.00 H ATOM 1412 N GLN A 263 -37.892 133.834 14.126 1.00 18.94 N ATOM 1413 CA GLN A 263 -37.604 133.816 15.560 1.00 21.96 C ATOM 1414 C GLN A 263 -38.616 134.653 16.339 1.00 25.57 C ATOM 1415 O GLN A 263 -38.853 134.402 17.528 1.00 26.02 O ATOM 1416 CB GLN A 263 -36.167 134.287 15.811 1.00 19.71 C ATOM 1417 CG GLN A 263 -35.119 133.280 15.303 1.00 21.06 C ATOM 1418 CD GLN A 263 -33.686 133.584 15.717 1.00 20.42 C ATOM 1419 OE1 GLN A 263 -33.347 134.703 16.111 1.00 24.25 O ATOM 1420 NE2 GLN A 263 -32.831 132.577 15.624 1.00 22.10 N ATOM 1421 HE22 GLN A 263 -33.156 131.648 15.287 1.00 0.00 H ATOM 1422 HE21 GLN A 263 -31.835 132.715 15.888 1.00 0.00 H ATOM 1423 H GLN A 263 -37.280 134.363 13.473 1.00 0.00 H ATOM 1424 N SER A 264 -39.231 135.640 15.688 1.00 25.72 N ATOM 1425 CA SER A 264 -40.287 136.396 16.347 1.00 25.33 C ATOM 1426 C SER A 264 -41.472 135.503 16.690 1.00 25.26 C ATOM 1427 O SER A 264 -42.149 135.730 17.698 1.00 27.97 O ATOM 1428 CB SER A 264 -40.734 137.553 15.457 1.00 26.04 C ATOM 1429 OG SER A 264 -41.643 138.382 16.149 1.00 25.29 O ATOM 1430 HG SER A 264 -42.436 137.852 16.413 1.00 0.00 H ATOM 1431 H SER A 264 -38.957 135.870 14.711 1.00 0.00 H ATOM 1432 N LEU A 265 -41.725 134.478 15.876 1.00 23.41 N ATOM 1433 CA LEU A 265 -42.822 133.553 16.132 1.00 24.04 C ATOM 1434 C LEU A 265 -42.431 132.443 17.100 1.00 22.99 C ATOM 1435 O LEU A 265 -43.218 132.086 17.984 1.00 27.32 O ATOM 1436 CB LEU A 265 -43.303 132.931 14.824 1.00 23.80 C ATOM 1437 CG LEU A 265 -43.883 133.848 13.753 1.00 26.38 C ATOM 1438 CD1 LEU A 265 -44.096 133.046 12.470 1.00 26.99 C ATOM 1439 CD2 LEU A 265 -45.197 134.438 14.241 1.00 31.22 C ATOM 1440 H LEU A 265 -41.125 134.335 15.038 1.00 0.00 H ATOM 1441 N TYR A 266 -41.232 131.868 16.935 1.00 25.20 N ATOM 1442 CA TYR A 266 -40.865 130.640 17.623 1.00 26.70 C ATOM 1443 C TYR A 266 -39.628 130.756 18.506 1.00 29.46 C ATOM 1444 O TYR A 266 -39.315 129.796 19.224 1.00 29.41 O ATOM 1445 CB TYR A 266 -40.646 129.513 16.597 1.00 26.16 C ATOM 1446 CG TYR A 266 -41.871 129.227 15.751 1.00 23.58 C ATOM 1447 CD1 TYR A 266 -42.927 128.476 16.257 1.00 24.02 C ATOM 1448 CD2 TYR A 266 -41.983 129.713 14.454 1.00 21.33 C ATOM 1449 CE1 TYR A 266 -44.052 128.220 15.503 1.00 21.50 C ATOM 1450 CE2 TYR A 266 -43.125 129.451 13.687 1.00 20.94 C ATOM 1451 CZ TYR A 266 -44.156 128.717 14.231 1.00 21.12 C ATOM 1452 OH TYR A 266 -45.285 128.434 13.483 1.00 21.68 O ATOM 1453 HH TYR A 266 -45.718 129.281 13.207 1.00 0.00 H ATOM 1454 H TYR A 266 -40.543 132.313 16.296 1.00 0.00 H ATOM 1455 N GLY A 267 -38.920 131.886 18.480 1.00 29.03 N ATOM 1456 CA GLY A 267 -37.692 132.040 19.226 1.00 28.16 C ATOM 1457 C GLY A 267 -36.514 131.340 18.569 1.00 27.82 C ATOM 1458 O GLY A 267 -36.651 130.674 17.540 1.00 27.77 O ATOM 1459 H GLY A 267 -39.263 132.682 17.905 1.00 0.00 H ATOM 1460 N PRO A 268 -35.317 131.484 19.156 1.00 28.88 N ATOM 1461 CA PRO A 268 -34.118 130.825 18.632 1.00 33.52 C ATOM 1462 C PRO A 268 -34.002 129.360 19.089 1.00 38.58 C ATOM 1463 O PRO A 268 -34.696 128.996 20.037 1.00 37.98 O ATOM 1464 CB PRO A 268 -32.985 131.670 19.217 1.00 28.19 C ATOM 1465 CG PRO A 268 -33.515 132.125 20.509 1.00 29.13 C ATOM 1466 CD PRO A 268 -35.001 132.344 20.308 1.00 28.36 C TER 1467 PRO A 268 HETATM 1468 ZN ZN A 1 -44.874 133.687 -0.938 1.00 17.76 ZN HETATM 1469 ZN ZN A 2 -53.460 124.174 -3.773 1.00 17.92 ZN HETATM 1470 CA CA A 3 -47.937 128.431 -13.100 1.00 17.03 CA HETATM 1471 CA CA A 4 -43.161 119.945 -14.127 1.00 21.06 CA HETATM 1472 CA CA A 5 -52.299 120.405 7.180 1.00 20.74 CA HETATM 1473 O HOH 6 -57.175 118.642 -1.354 1.00 43.69 O HETATM 1474 O HOH 7 -60.903 125.337 -0.612 1.00 45.10 O HETATM 1475 O HOH 8 -50.734 118.566 -0.194 1.00 23.57 O HETATM 1476 O HOH 9 -47.165 116.576 14.600 1.00 33.35 O HETATM 1477 O HOH 10 -50.479 139.677 7.212 1.00 50.06 O HETATM 1478 O HOH 11 -42.631 137.028 12.348 1.00 35.83 O HETATM 1479 O HOH 12 -29.841 125.514 7.289 1.00 29.06 O HETATM 1480 O HOH 13 -34.597 118.979 14.351 1.00 41.20 O HETATM 1481 O HOH 14 -29.329 125.051 3.125 1.00 39.71 O HETATM 1482 O HOH 15 -61.398 120.842 -1.109 1.00 43.47 O HETATM 1483 O HOH 16 -40.044 113.320 -8.138 1.00 25.73 O HETATM 1484 O HOH 17 -42.485 128.301 -16.448 1.00 57.10 O HETATM 1485 O HOH 18 -30.233 138.017 0.392 1.00 29.29 O HETATM 1486 O HOH 19 -27.993 140.943 5.941 1.00 16.04 O HETATM 1487 O HOH 20 -60.332 131.664 0.638 1.00 28.34 O HETATM 1488 O HOH 21 -35.068 142.930 8.703 1.00 26.97 O HETATM 1489 O HOH 22 -35.983 137.347 -5.038 1.00 27.59 O HETATM 1490 O HOH 23 -52.828 120.797 9.536 1.00 18.95 O HETATM 1491 O HOH 24 -49.058 129.469 -19.540 1.00 39.95 O HETATM 1492 O HOH 25 -51.886 119.865 15.970 1.00 50.05 O HETATM 1493 O HOH 26 -34.420 110.422 0.775 1.00 38.11 O HETATM 1494 O HOH 27 -28.134 133.234 8.059 1.00 17.83 O HETATM 1495 O HOH 28 -49.015 109.298 -1.010 1.00 18.25 O HETATM 1496 O HOH 29 -40.281 146.024 -1.200 1.00 33.51 O HETATM 1497 O HOH 30 -34.164 129.422 -11.352 1.00 30.03 O HETATM 1498 O HOH 31 -31.927 121.602 12.096 1.00 25.28 O HETATM 1499 O HOH 32 -29.940 111.874 -5.038 1.00 34.91 O HETATM 1500 O HOH 33 -54.689 119.191 -3.418 1.00 34.97 O HETATM 1501 O HOH 34 -55.012 130.022 -11.523 1.00 27.81 O HETATM 1502 O HOH 35 -40.475 140.633 6.920 1.00 32.47 O HETATM 1503 O HOH 36 -34.631 122.546 16.058 1.00 26.76 O HETATM 1504 O HOH 37 -32.568 112.081 -0.751 1.00 28.11 O HETATM 1505 O HOH 38 -36.861 114.402 7.059 1.00 33.09 O HETATM 1506 O HOH 39 -52.832 118.110 7.439 1.00 20.76 O HETATM 1507 O HOH 40 -35.601 119.998 10.015 1.00 21.32 O HETATM 1508 O HOH 41 -40.737 116.941 -16.816 1.00 38.15 O HETATM 1509 O HOH 42 -47.306 122.203 22.312 1.00 39.48 O HETATM 1510 O HOH 43 -37.592 114.708 2.699 1.00 18.66 O HETATM 1511 O HOH 44 -57.048 123.903 -7.047 1.00 16.11 O HETATM 1512 O HOH 45 -45.868 107.038 0.707 1.00 31.70 O HETATM 1513 O HOH 46 -30.854 128.193 8.341 1.00 21.99 O HETATM 1514 O HOH 47 -43.362 111.254 2.690 1.00 17.63 O HETATM 1515 O HOH 48 -52.162 119.390 11.816 1.00 22.32 O HETATM 1516 O HOH 49 -53.373 119.418 0.821 1.00 23.60 O HETATM 1517 O HOH 50 -35.542 118.863 -13.505 1.00 18.81 O HETATM 1518 O HOH 51 -47.475 121.994 -19.204 1.00 30.77 O HETATM 1519 O HOH 52 -51.736 116.671 -6.173 1.00 36.07 O HETATM 1520 O HOH 53 -34.785 118.649 7.730 1.00 24.25 O HETATM 1521 O HOH 54 -48.076 139.529 -0.035 1.00 28.83 O HETATM 1522 O HOH 55 -41.631 115.985 14.327 1.00 31.55 O HETATM 1523 O HOH 56 -59.898 130.573 -5.840 1.00 20.63 O HETATM 1524 O HOH 57 -38.853 137.489 5.995 1.00 17.72 O HETATM 1525 O HOH 58 -35.351 140.137 -5.220 1.00 26.80 O HETATM 1526 O HOH 59 -28.098 135.052 2.174 1.00 24.16 O HETATM 1527 O HOH 60 -32.832 135.353 -11.096 1.00 39.17 O HETATM 1528 O HOH 61 -54.608 118.078 4.562 1.00 27.56 O HETATM 1529 O HOH 62 -54.815 130.053 -7.012 1.00 18.50 O HETATM 1530 O HOH 63 -40.051 112.928 -16.500 1.00 34.97 O HETATM 1531 O HOH 64 -34.688 144.231 6.183 1.00 24.08 O HETATM 1532 O HOH 65 -32.252 118.127 -4.490 1.00 28.38 O HETATM 1533 O HOH 66 -44.878 126.807 19.021 1.00 49.58 O HETATM 1534 O HOH 67 -43.116 107.276 0.890 1.00 40.68 O HETATM 1535 O HOH 68 -51.159 124.488 -13.609 1.00 16.32 O HETATM 1536 O HOH 69 -38.202 122.136 20.565 1.00 45.57 O HETATM 1537 O HOH 70 -43.561 142.402 -0.032 1.00 27.06 O HETATM 1538 O HOH 71 -44.990 122.672 -18.578 1.00 31.81 O HETATM 1539 O HOH 72 -34.942 137.481 -2.460 1.00 18.92 O HETATM 1540 O HOH 73 -36.674 138.192 16.041 1.00 33.35 O HETATM 1541 O HOH 74 -35.888 107.717 -2.205 1.00 39.95 O HETATM 1542 O HOH 75 -48.951 113.757 12.219 1.00 36.25 O HETATM 1543 O HOH 76 -49.101 106.041 1.843 1.00 36.05 O HETATM 1544 O HOH 77 -56.696 125.720 8.898 1.00 41.89 O HETATM 1545 O HOH 78 -52.990 116.218 -1.936 1.00 35.92 O HETATM 1546 O HOH 79 -40.281 135.842 -10.110 1.00 27.36 O HETATM 1547 O HOH 80 -34.024 137.445 15.933 1.00 35.68 O HETATM 1548 O HOH 81 -31.639 120.063 -11.853 1.00 31.76 O HETATM 1549 O HOH 82 -26.652 125.315 0.114 1.00 42.31 O HETATM 1550 O HOH 83 -31.093 117.429 2.277 1.00 25.81 O HETATM 1551 O HOH 84 -61.754 120.801 -6.143 1.00 30.89 O HETATM 1552 O HOH 85 -52.586 130.504 -5.585 1.00 16.76 O HETATM 1553 O HOH 86 -45.507 135.562 -4.485 1.00 18.02 O HETATM 1554 O HOH 87 -50.208 131.402 3.629 1.00 23.32 O HETATM 1555 O HOH 88 -48.893 116.440 17.190 1.00 36.83 O HETATM 1556 O HOH 89 -43.495 132.917 -13.032 1.00 25.01 O HETATM 1557 O HOH 90 -46.905 109.538 0.828 1.00 20.53 O HETATM 1558 O HOH 91 -46.377 116.884 17.888 1.00 26.54 O HETATM 1559 O HOH 92 -41.671 137.677 6.432 1.00 25.24 O HETATM 1560 O HOH 93 -48.499 132.135 5.840 1.00 23.72 O HETATM 1561 O HOH 94 -42.213 107.845 9.469 1.00 48.10 O HETATM 1562 O HOH 95 -55.754 118.585 -11.940 1.00 47.74 O HETATM 1563 O HOH 96 -30.645 123.812 5.118 1.00 21.78 O HETATM 1564 O HOH 97 -29.964 132.800 15.908 1.00 47.92 O HETATM 1565 O HOH 98 -54.526 116.551 -5.756 1.00 28.08 O HETATM 1566 O HOH 99 -49.725 131.305 -16.629 1.00 20.53 O HETATM 1567 O HOH 100 -40.970 126.420 -15.402 1.00 32.54 O HETATM 1568 O HOH 101 -43.489 109.855 0.259 1.00 29.43 O HETATM 1569 O HOH 102 -44.073 134.201 -19.065 1.00 47.25 O HETATM 1570 O HOH 103 -42.235 120.667 -16.346 1.00 20.72 O HETATM 1571 O HOH 104 -29.672 139.103 4.799 1.00 20.24 O HETATM 1572 O HOH 105 -40.879 143.402 5.493 1.00 27.26 O HETATM 1573 O HOH 106 -44.124 120.001 20.256 1.00 32.39 O HETATM 1574 O HOH 107 -50.685 115.656 12.837 1.00 41.78 O HETATM 1575 O HOH 108 -44.418 106.782 8.238 1.00 30.13 O HETATM 1576 O HOH 109 -32.333 109.473 -1.001 1.00 36.74 O HETATM 1577 O HOH 110 -29.361 128.871 6.072 1.00 26.98 O HETATM 1578 O HOH 111 -50.575 123.213 16.945 1.00 35.54 O HETATM 1579 O HOH 112 -32.778 140.028 4.755 1.00 19.00 O HETATM 1580 O HOH 113 -58.710 123.392 5.788 1.00 35.51 O HETATM 1581 O HOH 114 -35.986 118.425 12.177 1.00 25.13 O HETATM 1582 O HOH 115 -33.923 121.722 -5.604 1.00 20.30 O HETATM 1583 O HOH 116 -31.843 121.458 -15.000 1.00 31.86 O HETATM 1584 O HOH 117 -29.258 119.044 -11.244 1.00 41.85 O HETATM 1585 O HOH 118 -37.818 112.476 9.092 1.00 34.76 O HETATM 1586 O HOH 119 -54.934 127.594 7.701 1.00 32.69 O HETATM 1587 O HOH 120 -32.072 124.380 16.484 1.00 35.96 O HETATM 1588 O HOH 121 -47.881 138.765 2.720 1.00 35.13 O HETATM 1589 O HOH 122 -53.484 118.127 -10.403 1.00 22.69 O HETATM 1590 O HOH 123 -29.232 113.098 -8.368 1.00 25.95 O HETATM 1591 O HOH 124 -27.431 132.390 0.146 1.00 36.55 O HETATM 1592 O HOH 125 -41.719 130.921 -16.432 1.00 34.23 O HETATM 1593 O HOH 126 -60.054 123.879 8.484 1.00 47.32 O HETATM 1594 O HOH 127 -61.893 128.621 -2.994 1.00 30.97 O HETATM 1595 O HOH 128 -38.415 140.434 10.123 1.00 38.72 O HETATM 1596 O HOH 129 -55.402 128.855 9.394 1.00 54.62 O HETATM 1597 O HOH 130 -44.138 118.361 -15.538 1.00 20.27 O HETATM 1598 O HOH 131 -37.089 112.600 -13.262 1.00 37.07 O HETATM 1599 O HOH 132 -58.383 121.693 -13.784 1.00 36.61 O HETATM 1600 O HOH 133 -31.383 138.495 11.972 1.00 42.46 O HETATM 1601 O HOH 134 -57.273 116.730 7.495 1.00 38.72 O HETATM 1602 O HOH 135 -30.529 137.344 -1.477 1.00 38.80 O HETATM 1603 O HOH 136 -34.986 121.368 18.540 1.00 43.82 O HETATM 1604 O HOH 137 -36.354 115.730 -16.127 1.00 45.06 O HETATM 1605 O HOH 138 -39.342 134.176 -12.983 1.00 46.32 O HETATM 1606 O HOH 139 -39.527 140.486 12.941 1.00 53.01 O HETATM 1607 O HOH 140 -30.761 122.753 -5.159 1.00 35.89 O HETATM 1608 O HOH 141 -54.451 121.073 -17.924 1.00 31.57 O HETATM 1609 O HOH 142 -36.383 116.396 8.316 1.00 38.70 O HETATM 1610 O HOH 143 -51.461 124.892 15.911 1.00 44.68 O HETATM 1611 O HOH 144 -30.218 125.685 -4.365 1.00 48.13 O HETATM 1612 O HOH 145 -34.585 127.610 -17.959 1.00 40.63 O HETATM 1613 O HOH 146 -28.112 122.571 5.258 1.00 49.45 O HETATM 1614 O HOH 147 -31.486 141.813 -3.128 1.00 41.89 O HETATM 1615 O HOH 148 -27.383 112.695 -5.797 1.00 29.85 O HETATM 1616 O HOH 149 -32.710 121.219 14.847 1.00 40.80 O HETATM 1617 O HOH 150 -44.839 125.439 21.682 1.00 51.57 O HETATM 1618 O HOH 151 -33.301 113.067 1.788 1.00 43.75 O HETATM 1619 O HOH 152 -30.619 118.691 4.713 1.00 27.22 O HETATM 1620 O HOH 153 -51.215 117.622 18.587 1.00 31.83 O HETATM 1621 O HOH 154 -50.594 115.098 15.757 1.00 51.60 O HETATM 1622 O HOH 155 -53.051 116.570 0.429 1.00 44.04 O HETATM 1623 O HOH 156 -32.308 137.040 -3.193 1.00 35.40 O HETATM 1624 O HOH 157 -57.016 117.990 5.207 1.00 44.32 O HETATM 1625 O HOH 158 -46.282 141.320 -0.908 1.00 38.57 O HETATM 1626 O HOH 159 -32.615 138.527 14.251 1.00 44.90 O HETATM 1627 O HOH 160 -47.578 137.317 -3.884 1.00 33.23 O HETATM 1628 O HOH 161 -28.132 120.422 4.033 1.00 47.99 O HETATM 1629 O HOH 162 -30.604 114.668 2.577 1.00 36.21 O HETATM 1630 O HOH 163 -30.393 117.191 6.922 1.00 32.64 O HETATM 1631 O HOH 164 -53.366 120.932 13.795 1.00 39.56 O HETATM 1632 O HOH 165 -42.286 139.343 7.840 1.00 25.90 O HETATM 1633 O HOH 166 -31.484 119.027 11.076 1.00 38.57 O HETATM 1634 O HOH 167 -45.052 114.500 17.669 1.00 38.89 O HETATM 1635 O HOH 168 -27.550 135.011 -0.765 1.00 45.52 O HETATM 1636 O HOH 169 -42.743 144.100 -2.056 1.00 40.05 O HETATM 1637 O HOH 170 -62.322 122.948 -0.001 1.00 37.14 O HETATM 1638 O HOH 171 -54.792 116.076 2.656 1.00 37.37 O HETATM 1639 O HOH 172 -46.807 140.538 -3.536 1.00 38.62 O HETATM 1640 O HOH 173 -20.357 130.719 1.642 1.00 26.00 O HETATM 1641 O HOH 174 -35.789 119.491 -16.408 1.00 37.26 O HETATM 1642 O HOH 175 -28.608 137.608 2.715 1.00 28.60 O HETATM 1643 O HOH 176 -32.390 117.691 8.917 1.00 33.03 O HETATM 1644 O HOH 177 -43.303 144.505 6.350 1.00 45.83 O HETATM 1645 O HOH 178 -34.106 122.176 -17.056 1.00 43.61 O HETATM 1646 O HOH 179 -55.503 119.239 13.885 1.00 49.89 O HETATM 1647 O HOH 180 -42.414 142.953 -4.631 1.00 38.83 O HETATM 1648 O HOH 181 -50.050 135.169 -3.015 1.00 24.11 O HETATM 1649 O HOH 182 -52.499 132.848 3.834 1.00 27.25 O HETATM 1650 O HOH 183 -58.593 127.193 3.157 1.00 36.73 O HETATM 1651 O HOH 184 -57.832 134.269 3.710 1.00 32.84 O HETATM 1652 O HOH 185 -53.313 132.586 -3.749 1.00 24.34 O HETATM 1653 O HOH 186 -53.607 134.995 0.094 1.00 27.85 O HETATM 1654 O HOH 187 -54.101 136.318 1.870 1.00 45.47 O HETATM 1655 O4 UNN A 188 -47.247 134.917 -9.468 1.00 -0.39 O HETATM 1656 C3 UNN A 188 -46.505 134.835 -8.509 1.00 0.20 C HETATM 1657 N5 UNN A 188 -46.856 135.280 -7.307 1.00 -0.29 N HETATM 1658 C6 UNN A 188 -48.173 135.843 -7.039 1.00 0.02 C HETATM 1659 H2 UNN A 188 -48.236 136.142 -5.982 1.00 0.05 H HETATM 1660 H3 UNN A 188 -48.945 135.089 -7.253 1.00 0.05 H HETATM 1661 H4 UNN A 188 -48.333 136.723 -7.679 1.00 0.05 H HETATM 1662 H1 UNN A 188 -46.193 135.227 -6.560 1.00 0.18 H HETATM 1663 C4 UNN A 188 -45.155 134.182 -8.689 1.00 0.13 C HETATM 1664 C7 UNN A 188 -44.166 135.119 -9.388 1.00 -0.01 C HETATM 1665 C10 UNN A 188 -43.977 136.431 -8.634 1.00 -0.06 C HETATM 1666 H7 UNN A 188 -43.260 137.065 -9.176 1.00 0.02 H HETATM 1667 H8 UNN A 188 -43.592 136.222 -7.625 1.00 0.02 H HETATM 1668 H9 UNN A 188 -44.943 136.952 -8.557 1.00 0.02 H HETATM 1669 C8 UNN A 188 -44.574 135.423 -10.826 1.00 -0.06 C HETATM 1670 H10 UNN A 188 -44.712 134.480 -11.375 1.00 0.02 H HETATM 1671 H11 UNN A 188 -43.787 136.019 -11.312 1.00 0.02 H HETATM 1672 H12 UNN A 188 -45.517 135.989 -10.828 1.00 0.02 H HETATM 1673 H6 UNN A 188 -43.194 134.604 -9.416 1.00 0.03 H HETATM 1674 N8 UNN A 188 -44.558 133.721 -7.452 1.00 -0.26 N HETATM 1675 C9 UNN A 188 -44.979 132.596 -6.875 1.00 0.23 C HETATM 1676 O10 UNN A 188 -45.954 131.961 -7.263 1.00 -0.39 O HETATM 1677 C11 UNN A 188 -44.145 132.047 -5.786 1.00 0.18 C HETATM 1678 O15 UNN A 188 -42.964 132.721 -5.611 1.00 -0.25 O HETATM 1679 C14 UNN A 188 -42.307 132.056 -4.609 1.00 0.12 C HETATM 1680 C13 UNN A 188 -43.071 130.955 -4.213 1.00 -0.05 C HETATM 1681 C12 UNN A 188 -44.239 130.947 -4.960 1.00 -0.04 C HETATM 1682 H15 UNN A 188 -45.054 130.227 -4.906 1.00 0.04 H HETATM 1683 H14 UNN A 188 -42.796 130.229 -3.450 1.00 0.04 H HETATM 1684 C16 UNN A 188 -40.970 132.474 -4.125 1.00 0.01 C HETATM 1685 C21 UNN A 188 -40.622 133.814 -4.193 1.00 -0.06 C HETATM 1686 C20 UNN A 188 -39.370 134.220 -3.775 1.00 -0.06 C HETATM 1687 C19 UNN A 188 -38.454 133.291 -3.314 1.00 -0.03 C HETATM 1688 C18 UNN A 188 -38.788 131.948 -3.269 1.00 -0.06 C HETATM 1689 C17 UNN A 188 -40.046 131.534 -3.686 1.00 -0.06 C HETATM 1690 H19 UNN A 188 -40.306 130.482 -3.669 1.00 0.06 H HETATM 1691 H18 UNN A 188 -38.069 131.221 -2.909 1.00 0.06 H HETATM 1692 C22 UNN A 188 -37.085 133.758 -2.874 1.00 0.05 C HETATM 1693 S23 UNN A 188 -35.941 133.457 -4.191 1.00 -0.01 S HETATM 1694 C24 UNN A 188 -34.377 133.514 -3.507 1.00 0.21 C HETATM 1695 N29 UNN A 188 -33.310 133.258 -4.266 1.00 -0.19 N HETATM 1696 C28 UNN A 188 -32.073 133.254 -3.791 1.00 0.20 C HETATM 1697 O39 UNN A 188 -31.140 132.988 -4.572 1.00 -0.42 O HETATM 1698 C27 UNN A 188 -31.897 133.552 -2.461 1.00 0.01 C HETATM 1699 C36 UNN A 188 -30.612 133.630 -1.689 1.00 -0.03 C HETATM 1700 C37 UNN A 188 -31.061 134.014 -0.273 1.00 -0.04 C HETATM 1701 C38 UNN A 188 -32.593 134.140 -0.259 1.00 -0.01 C HETATM 1702 C26 UNN A 188 -32.974 133.841 -1.684 1.00 -0.01 C HETATM 1703 N25 UNN A 188 -34.220 133.811 -2.194 1.00 -0.29 N HETATM 1704 H26 UNN A 188 -32.903 135.156 0.028 1.00 0.04 H HETATM 1705 H27 UNN A 188 -33.043 133.411 0.431 1.00 0.04 H HETATM 1706 H24 UNN A 188 -30.608 134.975 0.011 1.00 0.03 H HETATM 1707 H25 UNN A 188 -30.747 133.236 0.439 1.00 0.03 H HETATM 1708 H22 UNN A 188 -29.947 134.398 -2.111 1.00 0.03 H HETATM 1709 H23 UNN A 188 -30.096 132.659 -1.687 1.00 0.03 H HETATM 1710 H28 UNN A 188 -33.450 133.060 -5.236 1.00 0.26 H HETATM 1711 H20 UNN A 188 -36.773 133.202 -1.977 1.00 0.06 H HETATM 1712 H21 UNN A 188 -37.115 134.834 -2.647 1.00 0.06 H HETATM 1713 H17 UNN A 188 -39.104 135.270 -3.808 1.00 0.06 H HETATM 1714 H16 UNN A 188 -41.331 134.541 -4.573 1.00 0.06 H HETATM 1715 H13 UNN A 188 -43.824 134.251 -7.028 1.00 0.19 H HETATM 1716 H5 UNN A 188 -45.306 133.303 -9.333 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 195 194 1471 CONECT 196 194 1471 CONECT 526 525 1472 CONECT 625 623 624 1469 CONECT 639 637 1469 CONECT 692 691 1470 CONECT 698 697 1470 CONECT 710 709 1470 CONECT 723 722 1470 CONECT 753 751 752 1469 CONECT 802 801 1472 CONECT 827 826 1472 CONECT 840 839 1472 CONECT 855 854 857 1469 CONECT 884 883 1471 CONECT 887 886 1471 CONECT 1069 1067 1068 1468 CONECT 1107 1105 1106 1468 CONECT 1158 1156 1157 1468 CONECT 1301 1302 1311 1312 1313 CONECT 1311 1301 CONECT 1312 1301 CONECT 1313 1301 CONECT 1468 1069 1107 1158 CONECT 1469 625 639 753 855 CONECT 1470 692 698 710 723 CONECT 1471 195 196 884 887 CONECT 1472 526 802 827 840 CONECT 1655 1656 CONECT 1656 1655 1657 1663 CONECT 1657 1656 1658 1662 CONECT 1658 1657 1659 1660 1661 CONECT 1659 1658 CONECT 1660 1658 CONECT 1661 1658 CONECT 1662 1657 CONECT 1663 1656 1664 1674 1716 CONECT 1664 1663 1665 1669 1673 CONECT 1665 1664 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1664 1670 1671 1672 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1669 CONECT 1673 1664 CONECT 1674 1663 1675 1715 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1681 CONECT 1678 1677 1679 CONECT 1679 1678 1680 1684 CONECT 1680 1679 1681 1683 CONECT 1681 1677 1680 1682 CONECT 1682 1681 CONECT 1683 1680 CONECT 1684 1679 1685 1689 CONECT 1685 1684 1686 1714 CONECT 1686 1685 1687 1713 CONECT 1687 1686 1688 1692 CONECT 1688 1687 1689 1691 CONECT 1689 1684 1688 1690 CONECT 1690 1689 CONECT 1691 1688 CONECT 1692 1687 1693 1711 1712 CONECT 1693 1692 1694 CONECT 1694 1693 1695 1703 CONECT 1695 1694 1696 1710 CONECT 1696 1695 1697 1698 CONECT 1697 1696 CONECT 1698 1696 1699 1702 CONECT 1699 1698 1700 1708 1709 CONECT 1700 1699 1701 1706 1707 CONECT 1701 1700 1702 1704 1705 CONECT 1702 1698 1701 1703 CONECT 1703 1694 1702 CONECT 1704 1701 CONECT 1705 1701 CONECT 1706 1700 CONECT 1707 1700 CONECT 1708 1699 CONECT 1709 1699 CONECT 1710 1695 CONECT 1711 1692 CONECT 1712 1692 CONECT 1713 1686 CONECT 1714 1685 CONECT 1715 1674 CONECT 1716 1663 MASTER 0 0 0 0 0 0 0 0 1714 2 94 13 END
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Related entries of code: 5uwm
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1ztq
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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5b5p
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5uwm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix Metalloproteinase 13
Ligand Name
8OA
EC.Number
E.C.-.-.-.-
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
IC50=356nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5816-5825
Ligand Properties
Formula
C
2
5
H
2
8
N
4
O
4
S
Molecular Weight
480.579
Exact Mass
480.183
No. of atoms
62
No. of bonds
65
Polar Surface Area
142.39
LOGP Value
3.43 (
Computed with XLOGP3
)
4.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CNC(=O)[C@@H](C(C)C)NC(=O)c1ccc(o1)c1ccc(cc1)CSc1nc2CCCc2c(=O)[nH]1
InChI String
InChI=1S/C25H28N4O4S/c1-14(2)21(24(32)26-3)28-23(31)20-12-11-19(33-20)16-9-7-15(8-10-16)13-34-25-27-18-6-4-5-17(18)22(30)29-25/h7-12,14,21H,4-6,13H2,1-3H3,(H,26,32)(H,28,31)(H,27,29,30)/t21-/m1/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P45452
Entrez Gene ID
NCBI Entrez Gene ID:
4322
ASD
Information of known allosteric effects of PDB entries
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