Browse entries in the PDBbind-CN Database
HEADER 5GGL_COMPLEX COMPND 5GGL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 PRO ARG ARG VAL LEU ASP VAL GLU VAL TYR SER SER ARG SEQRES 2 A 155 SER LYS VAL TYR VAL ALA VAL ASP GLY THR THR VAL LEU SEQRES 3 A 155 GLU ASP GLU ALA ARG GLU GLN GLY ARG GLY ILE HIS VAL SEQRES 4 A 155 ILE VAL LEU ASN GLN ALA THR GLY HIS VAL MET ALA LYS SEQRES 5 A 155 ARG VAL PHE ASP THR TYR SER PRO HIS GLU ASP GLU ALA SEQRES 6 A 155 MET VAL LEU PHE LEU ASN MET VAL ALA PRO GLY ARG VAL SEQRES 7 A 155 LEU ILE CYS THR VAL LYS ASP GLU GLY SER PHE HIS LEU SEQRES 8 A 155 LYS ASP THR ALA LYS ALA LEU LEU ARG SER LEU GLY SER SEQRES 9 A 155 GLN ALA GLY PRO ALA LEU GLY TRP ARG ASP THR TRP ALA SEQRES 10 A 155 PHE VAL GLY ARG LYS GLY GLY PRO VAL PHE GLY GLU LYS SEQRES 11 A 155 HIS SER LYS SER PRO ALA LEU SER SER TRP GLY ASP PRO SEQRES 12 A 155 VAL LEU LEU LYS THR ASP VAL PRO LEU SER SER ALA HET UNN A 330 42 ATOM 1 N PRO A 95 14.634 6.332 111.303 1.00 51.41 N ATOM 2 CA PRO A 95 14.599 5.877 112.704 1.00 52.88 C ATOM 3 C PRO A 95 15.485 6.687 113.693 1.00 60.72 C ATOM 4 O PRO A 95 14.933 7.519 114.421 1.00 62.78 O ATOM 5 CB PRO A 95 15.071 4.412 112.619 1.00 37.33 C ATOM 6 CG PRO A 95 15.155 4.060 111.103 1.00 32.39 C ATOM 7 CD PRO A 95 14.499 5.219 110.344 1.00 36.99 C ATOM 8 HN2 PRO A 95 15.540 6.813 111.131 1.00 0.00 H ATOM 9 HN1 PRO A 95 13.853 7.001 111.150 1.00 0.00 H ATOM 10 N ARG A 96 16.810 6.458 113.716 1.00 60.84 N ATOM 11 CA ARG A 96 17.698 7.008 114.751 1.00 53.84 C ATOM 12 C ARG A 96 18.558 8.166 114.256 1.00 52.44 C ATOM 13 O ARG A 96 18.238 9.333 114.511 1.00 54.91 O ATOM 14 CB ARG A 96 18.623 5.922 115.321 1.00 38.29 C ATOM 15 H ARG A 96 17.225 5.866 112.969 1.00 0.00 H ATOM 16 N ARG A 97 19.683 7.867 113.604 1.00 43.18 N ATOM 17 CA ARG A 97 20.422 8.886 112.867 1.00 33.20 C ATOM 18 C ARG A 97 20.274 8.651 111.371 1.00 22.35 C ATOM 19 O ARG A 97 21.186 8.888 110.585 1.00 18.85 O ATOM 20 CB ARG A 97 21.876 9.034 113.322 1.00 39.64 C ATOM 21 CG ARG A 97 22.072 9.918 114.609 1.00 47.40 C ATOM 22 CD ARG A 97 21.513 11.375 114.464 1.00 54.44 C ATOM 23 NE ARG A 97 20.206 11.543 115.110 1.00 60.53 N ATOM 24 CZ ARG A 97 19.409 12.613 115.013 1.00 65.32 C ATOM 25 NH1 ARG A 97 19.743 13.675 114.281 1.00 66.22 N ATOM 26 NH2 ARG A 97 18.243 12.610 115.655 1.00 67.35 N ATOM 27 HE ARG A 97 19.867 10.756 115.699 1.00 0.00 H ATOM 28 HH12 ARG A 97 19.101 14.491 114.226 1.00 0.00 H ATOM 29 HH11 ARG A 97 20.646 13.688 113.765 1.00 0.00 H ATOM 30 HH22 ARG A 97 17.612 13.434 115.590 1.00 0.00 H ATOM 31 HH21 ARG A 97 17.963 11.784 116.221 1.00 0.00 H ATOM 32 H ARG A 97 20.039 6.890 113.622 1.00 0.00 H ATOM 33 N VAL A 98 19.080 8.224 110.963 1.00 19.17 N ATOM 34 CA VAL A 98 18.801 7.946 109.554 1.00 17.56 C ATOM 35 C VAL A 98 17.323 8.186 109.311 1.00 16.63 C ATOM 36 O VAL A 98 16.515 8.094 110.234 1.00 17.16 O ATOM 37 CB VAL A 98 19.225 6.477 109.267 1.00 20.32 C ATOM 38 CG1 VAL A 98 18.345 5.500 110.016 1.00 21.61 C ATOM 39 CG2 VAL A 98 19.239 6.206 107.780 1.00 20.53 C ATOM 40 H VAL A 98 18.326 8.084 111.665 1.00 0.00 H ATOM 41 N LEU A 99 16.991 8.605 108.090 1.00 16.54 N ATOM 42 CA LEU A 99 15.612 8.718 107.631 1.00 17.68 C ATOM 43 C LEU A 99 15.413 7.693 106.541 1.00 17.79 C ATOM 44 O LEU A 99 16.234 7.603 105.620 1.00 19.87 O ATOM 45 CB LEU A 99 15.357 10.052 106.945 1.00 21.42 C ATOM 46 CG LEU A 99 15.409 11.330 107.737 1.00 24.44 C ATOM 47 CD1 LEU A 99 15.274 12.517 106.780 1.00 25.58 C ATOM 48 CD2 LEU A 99 14.332 11.378 108.812 1.00 24.35 C ATOM 49 H LEU A 99 17.754 8.864 107.432 1.00 0.00 H ATOM 50 N ASP A 100 14.294 6.994 106.584 1.00 17.57 N ATOM 51 CA ASP A 100 13.903 6.092 105.503 1.00 20.76 C ATOM 52 C ASP A 100 13.035 6.894 104.535 1.00 18.65 C ATOM 53 O ASP A 100 11.929 7.269 104.873 1.00 19.89 O ATOM 54 CB ASP A 100 13.096 4.968 106.154 1.00 30.25 C ATOM 55 CG ASP A 100 12.363 4.118 105.175 1.00 43.87 C ATOM 56 OD1 ASP A 100 12.781 4.044 104.012 1.00 48.11 O ATOM 57 OD2 ASP A 100 11.365 3.478 105.602 1.00 50.18 O ATOM 58 H ASP A 100 13.672 7.088 107.412 1.00 0.00 H ATOM 59 N VAL A 101 13.530 7.181 103.347 1.00 16.13 N ATOM 60 CA VAL A 101 12.816 8.020 102.387 1.00 15.52 C ATOM 61 C VAL A 101 12.378 7.168 101.202 1.00 16.26 C ATOM 62 O VAL A 101 13.162 6.369 100.664 1.00 19.18 O ATOM 63 CB VAL A 101 13.707 9.199 101.947 1.00 15.56 C ATOM 64 CG1 VAL A 101 13.022 10.079 100.924 1.00 15.97 C ATOM 65 CG2 VAL A 101 14.033 10.022 103.155 1.00 16.64 C ATOM 66 H VAL A 101 14.460 6.797 103.084 1.00 0.00 H ATOM 67 N GLU A 102 11.137 7.328 100.803 1.00 14.87 N ATOM 68 CA GLU A 102 10.645 6.691 99.593 1.00 16.01 C ATOM 69 C GLU A 102 10.104 7.759 98.662 1.00 14.23 C ATOM 70 O GLU A 102 9.388 8.664 99.096 1.00 14.79 O ATOM 71 CB GLU A 102 9.494 5.732 99.891 1.00 22.87 C ATOM 72 CG GLU A 102 9.872 4.591 100.777 1.00 33.35 C ATOM 73 CD GLU A 102 8.847 3.478 100.721 1.00 44.99 C ATOM 74 OE1 GLU A 102 7.788 3.688 100.071 1.00 45.99 O ATOM 75 OE2 GLU A 102 9.099 2.413 101.322 1.00 51.88 O ATOM 76 H GLU A 102 10.494 7.922 101.364 1.00 0.00 H ATOM 77 N VAL A 103 10.445 7.645 97.379 1.00 13.52 N ATOM 78 CA VAL A 103 10.104 8.682 96.401 1.00 13.56 C ATOM 79 C VAL A 103 9.616 7.977 95.149 1.00 13.89 C ATOM 80 O VAL A 103 10.320 7.117 94.595 1.00 15.25 O ATOM 81 CB VAL A 103 11.334 9.545 96.043 1.00 14.22 C ATOM 82 CG1 VAL A 103 10.935 10.684 95.050 1.00 14.47 C ATOM 83 CG2 VAL A 103 11.996 10.141 97.255 1.00 15.59 C ATOM 84 H VAL A 103 10.965 6.801 97.064 1.00 0.00 H ATOM 85 N TYR A 104 8.421 8.340 94.695 1.00 13.28 N ATOM 86 CA TYR A 104 7.802 7.713 93.534 1.00 12.78 C ATOM 87 C TYR A 104 7.544 8.758 92.477 1.00 12.73 C ATOM 88 O TYR A 104 7.000 9.829 92.779 1.00 12.68 O ATOM 89 CB TYR A 104 6.470 7.123 93.947 1.00 14.14 C ATOM 90 CG TYR A 104 5.766 6.292 92.921 1.00 15.76 C ATOM 91 CD1 TYR A 104 6.198 5.016 92.591 1.00 18.00 C ATOM 92 CD2 TYR A 104 4.638 6.763 92.282 1.00 17.24 C ATOM 93 CE1 TYR A 104 5.496 4.226 91.681 1.00 18.89 C ATOM 94 CE2 TYR A 104 3.929 5.982 91.371 1.00 18.65 C ATOM 95 CZ TYR A 104 4.384 4.719 91.059 1.00 19.30 C ATOM 96 OH TYR A 104 3.695 3.938 90.163 1.00 21.78 O ATOM 97 HH TYR A 104 4.159 3.070 90.058 1.00 0.00 H ATOM 98 H TYR A 104 7.908 9.100 95.186 1.00 0.00 H ATOM 99 N SER A 105 7.931 8.426 91.238 1.00 12.89 N ATOM 100 CA SER A 105 7.748 9.279 90.072 1.00 13.54 C ATOM 101 C SER A 105 7.066 8.455 88.981 1.00 13.52 C ATOM 102 O SER A 105 7.467 7.324 88.689 1.00 14.46 O ATOM 103 CB SER A 105 9.122 9.772 89.574 1.00 13.14 C ATOM 104 OG SER A 105 8.971 10.469 88.324 1.00 13.15 O ATOM 105 HG SER A 105 8.372 11.247 88.451 1.00 0.00 H ATOM 106 H SER A 105 8.390 7.503 91.101 1.00 0.00 H ATOM 107 N SER A 106 6.009 9.007 88.385 1.00 13.43 N ATOM 108 CA SER A 106 5.318 8.307 87.312 1.00 14.51 C ATOM 109 C SER A 106 4.466 9.280 86.498 1.00 14.26 C ATOM 110 O SER A 106 4.360 10.473 86.797 1.00 15.65 O ATOM 111 CB SER A 106 4.412 7.228 87.916 1.00 15.37 C ATOM 112 OG SER A 106 3.278 7.792 88.547 1.00 16.07 O ATOM 113 HG SER A 106 3.573 8.396 89.274 1.00 0.00 H ATOM 114 H SER A 106 5.676 9.944 88.689 1.00 0.00 H ATOM 115 N ARG A 107 3.872 8.732 85.445 1.00 15.16 N ATOM 116 CA ARG A 107 3.011 9.510 84.580 1.00 16.64 C ATOM 117 C ARG A 107 1.907 10.191 85.374 1.00 16.32 C ATOM 118 O ARG A 107 1.617 11.368 85.160 1.00 17.20 O ATOM 119 CB ARG A 107 2.340 8.543 83.605 1.00 18.70 C ATOM 120 CG ARG A 107 1.213 9.179 82.821 1.00 21.22 C ATOM 121 CD ARG A 107 0.535 8.138 81.946 1.00 24.56 C ATOM 122 NE ARG A 107 -0.598 8.714 81.213 1.00 28.34 N ATOM 123 CZ ARG A 107 -1.351 8.044 80.361 1.00 32.27 C ATOM 124 NH1 ARG A 107 -1.074 6.774 80.121 1.00 33.70 N ATOM 125 NH2 ARG A 107 -2.364 8.649 79.734 1.00 33.22 N ATOM 126 HE ARG A 107 -0.823 9.716 81.376 1.00 0.00 H ATOM 127 HH12 ARG A 107 -1.658 6.232 79.452 1.00 0.00 H ATOM 128 HH11 ARG A 107 -0.272 6.317 80.601 1.00 0.00 H ATOM 129 HH22 ARG A 107 -2.954 8.115 79.064 1.00 0.00 H ATOM 130 HH21 ARG A 107 -2.563 9.653 79.916 1.00 0.00 H ATOM 131 H ARG A 107 4.028 7.725 85.238 1.00 0.00 H ATOM 132 N SER A 108 1.253 9.443 86.263 1.00 16.63 N ATOM 133 CA SER A 108 -0.009 9.894 86.847 1.00 18.74 C ATOM 134 C SER A 108 0.076 10.177 88.334 1.00 18.30 C ATOM 135 O SER A 108 -0.942 10.581 88.921 1.00 19.73 O ATOM 136 CB SER A 108 -1.132 8.887 86.591 1.00 23.67 C ATOM 137 OG SER A 108 -0.799 7.717 87.294 1.00 28.86 O ATOM 138 HG SER A 108 0.067 7.369 86.963 1.00 0.00 H ATOM 139 H SER A 108 1.647 8.523 86.546 1.00 0.00 H ATOM 140 N LYS A 109 1.228 9.924 88.971 1.00 17.15 N ATOM 141 CA LYS A 109 1.271 9.997 90.431 1.00 16.93 C ATOM 142 C LYS A 109 2.687 10.257 90.920 1.00 14.90 C ATOM 143 O LYS A 109 3.655 9.668 90.411 1.00 16.26 O ATOM 144 CB LYS A 109 0.785 8.655 91.013 1.00 18.85 C ATOM 145 CG LYS A 109 0.832 8.649 92.501 1.00 22.63 C ATOM 146 CD LYS A 109 0.245 7.374 93.078 1.00 27.34 C ATOM 147 CE LYS A 109 0.129 7.478 94.617 1.00 32.96 C ATOM 148 NZ LYS A 109 -0.438 6.232 95.123 1.00 36.57 N ATOM 149 HZ1 LYS A 109 -1.379 6.085 94.704 1.00 0.00 H ATOM 150 HZ2 LYS A 109 0.185 5.440 94.866 1.00 0.00 H ATOM 151 HZ3 LYS A 109 -0.523 6.286 96.158 1.00 0.00 H ATOM 152 H LYS A 109 2.083 9.678 88.432 1.00 0.00 H ATOM 153 N VAL A 110 2.790 11.111 91.931 1.00 14.73 N ATOM 154 CA VAL A 110 4.008 11.193 92.723 1.00 13.57 C ATOM 155 C VAL A 110 3.674 11.011 94.188 1.00 13.33 C ATOM 156 O VAL A 110 2.564 11.300 94.655 1.00 13.96 O ATOM 157 CB VAL A 110 4.740 12.550 92.560 1.00 14.14 C ATOM 158 CG1 VAL A 110 5.341 12.642 91.168 1.00 15.57 C ATOM 159 CG2 VAL A 110 3.812 13.737 92.797 1.00 15.16 C ATOM 160 H VAL A 110 1.987 11.731 92.161 1.00 0.00 H ATOM 161 N TYR A 111 4.646 10.490 94.927 1.00 13.77 N ATOM 162 CA TYR A 111 4.528 10.492 96.372 1.00 14.58 C ATOM 163 C TYR A 111 5.912 10.494 96.980 1.00 13.50 C ATOM 164 O TYR A 111 6.902 10.087 96.346 1.00 13.76 O ATOM 165 CB TYR A 111 3.634 9.447 97.041 1.00 19.67 C ATOM 166 CG TYR A 111 4.148 8.072 97.036 1.00 23.96 C ATOM 167 CD1 TYR A 111 5.101 7.632 97.949 1.00 28.13 C ATOM 168 CD2 TYR A 111 3.646 7.143 96.123 1.00 27.95 C ATOM 169 CE1 TYR A 111 5.546 6.337 97.944 1.00 31.66 C ATOM 170 CE2 TYR A 111 4.076 5.835 96.113 1.00 32.33 C ATOM 171 CZ TYR A 111 5.040 5.442 97.006 1.00 34.66 C ATOM 172 OH TYR A 111 5.473 4.134 96.998 1.00 39.18 O ATOM 173 HH TYR A 111 6.164 4.012 97.696 1.00 0.00 H ATOM 174 H TYR A 111 5.488 10.083 94.472 1.00 0.00 H ATOM 175 N VAL A 112 5.981 11.029 98.201 1.00 13.47 N ATOM 176 CA VAL A 112 7.190 10.972 99.018 1.00 13.71 C ATOM 177 C VAL A 112 6.763 10.559 100.416 1.00 13.33 C ATOM 178 O VAL A 112 5.820 11.135 100.972 1.00 13.74 O ATOM 179 CB VAL A 112 7.901 12.338 99.065 1.00 14.22 C ATOM 180 CG1 VAL A 112 9.086 12.260 99.990 1.00 14.25 C ATOM 181 CG2 VAL A 112 8.326 12.803 97.658 1.00 14.77 C ATOM 182 H VAL A 112 5.140 11.505 98.586 1.00 0.00 H ATOM 183 N ALA A 113 7.468 9.593 100.984 1.00 13.04 N ATOM 184 CA ALA A 113 7.263 9.208 102.368 1.00 12.96 C ATOM 185 C ALA A 113 8.570 9.341 103.119 1.00 13.45 C ATOM 186 O ALA A 113 9.650 9.090 102.560 1.00 14.65 O ATOM 187 CB ALA A 113 6.749 7.781 102.495 1.00 14.38 C ATOM 188 H ALA A 113 8.189 9.096 100.423 1.00 0.00 H ATOM 189 N VAL A 114 8.481 9.769 104.374 1.00 13.94 N ATOM 190 CA VAL A 114 9.664 9.967 105.225 1.00 15.46 C ATOM 191 C VAL A 114 9.376 9.223 106.524 1.00 16.75 C ATOM 192 O VAL A 114 8.366 9.488 107.181 1.00 17.25 O ATOM 193 CB VAL A 114 9.909 11.457 105.511 1.00 16.39 C ATOM 194 CG1 VAL A 114 11.115 11.628 106.432 1.00 16.92 C ATOM 195 CG2 VAL A 114 10.176 12.176 104.207 1.00 16.35 C ATOM 196 H VAL A 114 7.540 9.971 104.769 1.00 0.00 H ATOM 197 N ASP A 115 10.182 8.208 106.824 1.00 17.93 N ATOM 198 CA ASP A 115 9.988 7.374 108.015 1.00 20.35 C ATOM 199 C ASP A 115 8.579 6.815 108.087 1.00 20.63 C ATOM 200 O ASP A 115 7.975 6.703 109.169 1.00 22.91 O ATOM 201 CB ASP A 115 10.318 8.110 109.289 1.00 23.36 C ATOM 202 CG ASP A 115 11.784 8.211 109.525 1.00 26.37 C ATOM 203 OD1 ASP A 115 12.605 7.496 108.869 1.00 25.53 O ATOM 204 OD2 ASP A 115 12.130 9.002 110.421 1.00 29.74 O ATOM 205 H ASP A 115 10.979 7.998 106.190 1.00 0.00 H ATOM 206 N GLY A 116 8.054 6.396 106.943 1.00 19.31 N ATOM 207 CA GLY A 116 6.755 5.736 106.932 1.00 19.14 C ATOM 208 C GLY A 116 5.584 6.673 106.988 1.00 18.66 C ATOM 209 O GLY A 116 4.454 6.208 107.153 1.00 21.29 O ATOM 210 H GLY A 116 8.571 6.539 106.052 1.00 0.00 H ATOM 211 N THR A 117 5.800 7.956 106.811 1.00 16.10 N ATOM 212 CA THR A 117 4.720 8.916 106.784 1.00 16.14 C ATOM 213 C THR A 117 4.700 9.577 105.410 1.00 14.03 C ATOM 214 O THR A 117 5.725 10.079 104.949 1.00 14.23 O ATOM 215 CB THR A 117 4.947 9.968 107.875 1.00 17.97 C ATOM 216 OG1 THR A 117 4.876 9.364 109.159 1.00 21.19 O ATOM 217 CG2 THR A 117 3.987 11.090 107.730 1.00 19.64 C ATOM 218 HG1 THR A 117 3.982 8.956 109.282 1.00 0.00 H ATOM 219 H THR A 117 6.777 8.291 106.687 1.00 0.00 H ATOM 220 N THR A 118 3.526 9.630 104.781 1.00 13.73 N ATOM 221 CA THR A 118 3.406 10.247 103.475 1.00 13.92 C ATOM 222 C THR A 118 3.411 11.764 103.631 1.00 14.39 C ATOM 223 O THR A 118 2.498 12.324 104.257 1.00 14.97 O ATOM 224 CB THR A 118 2.112 9.789 102.802 1.00 15.21 C ATOM 225 OG1 THR A 118 2.245 8.368 102.625 1.00 15.90 O ATOM 226 CG2 THR A 118 1.937 10.493 101.440 1.00 16.19 C ATOM 227 HG1 THR A 118 1.430 8.013 102.190 1.00 0.00 H ATOM 228 H THR A 118 2.683 9.222 105.234 1.00 0.00 H ATOM 229 N VAL A 119 4.416 12.436 103.060 1.00 13.93 N ATOM 230 CA VAL A 119 4.489 13.881 103.131 1.00 15.59 C ATOM 231 C VAL A 119 4.057 14.547 101.839 1.00 16.35 C ATOM 232 O VAL A 119 3.856 15.771 101.828 1.00 18.76 O ATOM 233 CB VAL A 119 5.892 14.356 103.585 1.00 17.28 C ATOM 234 CG1 VAL A 119 6.209 13.860 104.983 1.00 18.85 C ATOM 235 CG2 VAL A 119 6.952 13.978 102.585 1.00 18.00 C ATOM 236 H VAL A 119 5.159 11.912 102.556 1.00 0.00 H ATOM 237 N LEU A 120 3.932 13.793 100.746 1.00 15.39 N ATOM 238 CA LEU A 120 3.494 14.327 99.463 1.00 16.96 C ATOM 239 C LEU A 120 2.763 13.170 98.811 1.00 15.80 C ATOM 240 O LEU A 120 3.289 12.049 98.755 1.00 15.73 O ATOM 241 CB LEU A 120 4.678 14.731 98.571 1.00 20.11 C ATOM 242 CG LEU A 120 4.271 14.906 97.071 1.00 24.34 C ATOM 243 CD1 LEU A 120 3.356 16.130 96.940 1.00 29.08 C ATOM 244 CD2 LEU A 120 5.383 15.024 96.158 1.00 26.19 C ATOM 245 H LEU A 120 4.157 12.780 100.812 1.00 0.00 H ATOM 246 N GLU A 121 1.558 13.431 98.299 1.00 17.63 N ATOM 247 CA GLU A 121 0.893 12.404 97.500 1.00 19.25 C ATOM 248 C GLU A 121 -0.010 13.133 96.531 1.00 19.10 C ATOM 249 O GLU A 121 -0.911 13.855 96.957 1.00 21.83 O ATOM 250 CB GLU A 121 0.101 11.410 98.360 1.00 23.24 C ATOM 251 CG GLU A 121 -0.491 10.221 97.576 1.00 30.31 C ATOM 252 CD GLU A 121 -0.921 9.043 98.473 1.00 38.84 C ATOM 253 OE1 GLU A 121 -1.043 9.199 99.716 1.00 42.06 O ATOM 254 OE2 GLU A 121 -1.179 7.945 97.922 1.00 42.62 O ATOM 255 H GLU A 121 1.100 14.350 98.466 1.00 0.00 H ATOM 256 N ASP A 122 0.268 13.010 95.230 1.00 17.24 N ATOM 257 CA ASP A 122 -0.510 13.721 94.214 1.00 18.13 C ATOM 258 C ASP A 122 -0.809 12.736 93.097 1.00 18.24 C ATOM 259 O ASP A 122 0.062 12.436 92.278 1.00 18.16 O ATOM 260 CB ASP A 122 0.221 14.952 93.698 1.00 20.78 C ATOM 261 CG ASP A 122 -0.609 15.759 92.738 1.00 24.79 C ATOM 262 OD1 ASP A 122 -1.594 15.208 92.185 1.00 25.62 O ATOM 263 OD2 ASP A 122 -0.285 16.959 92.557 1.00 28.01 O ATOM 264 H ASP A 122 1.053 12.396 94.933 1.00 0.00 H ATOM 265 N GLU A 123 -2.069 12.285 93.060 1.00 19.97 N ATOM 266 CA GLU A 123 -2.569 11.343 92.060 1.00 23.83 C ATOM 267 C GLU A 123 -3.685 11.966 91.238 1.00 25.44 C ATOM 268 O GLU A 123 -4.408 11.261 90.528 1.00 27.58 O ATOM 269 CB GLU A 123 -2.993 10.008 92.710 1.00 29.63 C ATOM 270 CG GLU A 123 -4.099 10.156 93.792 1.00 37.93 C ATOM 271 CD GLU A 123 -4.426 8.887 94.685 1.00 46.34 C ATOM 272 OE1 GLU A 123 -3.517 8.091 95.014 1.00 47.95 O ATOM 273 OE2 GLU A 123 -5.614 8.731 95.098 1.00 50.62 O ATOM 274 H GLU A 123 -2.732 12.625 93.786 1.00 0.00 H ATOM 275 N ALA A 124 -3.864 13.270 91.344 1.00 25.79 N ATOM 276 CA ALA A 124 -5.003 13.923 90.712 1.00 28.77 C ATOM 277 C ALA A 124 -4.780 14.028 89.212 1.00 31.55 C ATOM 278 O ALA A 124 -3.670 14.318 88.748 1.00 30.54 O ATOM 279 CB ALA A 124 -5.142 15.327 91.285 1.00 30.46 C ATOM 280 H ALA A 124 -3.183 13.839 91.886 1.00 0.00 H ATOM 281 N ARG A 125 -5.856 13.851 88.445 1.00 36.27 N ATOM 282 CA ARG A 125 -5.775 14.028 87.003 1.00 43.30 C ATOM 283 C ARG A 125 -5.650 15.510 86.671 1.00 49.16 C ATOM 284 O ARG A 125 -6.327 16.354 87.262 1.00 53.81 O ATOM 285 CB ARG A 125 -7.032 13.446 86.339 1.00 45.86 C ATOM 286 H ARG A 125 -6.762 13.584 88.881 1.00 0.00 H ATOM 287 N GLU A 126 -4.751 15.835 85.745 1.00 49.75 N ATOM 288 CA GLU A 126 -4.620 17.193 85.206 1.00 51.49 C ATOM 289 C GLU A 126 -4.193 18.243 86.243 1.00 44.91 C ATOM 290 O GLU A 126 -4.451 19.438 86.063 1.00 43.33 O ATOM 291 CB GLU A 126 -5.883 17.637 84.451 1.00 58.09 C ATOM 292 H GLU A 126 -4.114 15.094 85.388 1.00 0.00 H ATOM 293 N GLN A 127 -3.538 17.835 87.335 1.00 39.54 N ATOM 294 CA GLN A 127 -2.961 18.768 88.295 1.00 36.31 C ATOM 295 C GLN A 127 -1.579 18.257 88.662 1.00 28.52 C ATOM 296 O GLN A 127 -1.281 17.081 88.477 1.00 28.88 O ATOM 297 CB GLN A 127 -3.763 18.811 89.606 1.00 41.56 C ATOM 298 H GLN A 127 -3.436 16.814 87.506 1.00 0.00 H ATOM 299 N GLY A 128 -0.724 19.153 89.164 1.00 22.91 N ATOM 300 CA GLY A 128 0.551 18.727 89.730 1.00 19.49 C ATOM 301 C GLY A 128 1.595 18.283 88.720 1.00 16.85 C ATOM 302 O GLY A 128 2.549 17.618 89.095 1.00 16.30 O ATOM 303 H GLY A 128 -0.970 20.163 89.151 1.00 0.00 H ATOM 304 N ARG A 129 1.473 18.633 87.446 1.00 15.15 N ATOM 305 CA ARG A 129 2.510 18.289 86.487 1.00 14.43 C ATOM 306 C ARG A 129 3.823 18.961 86.852 1.00 13.86 C ATOM 307 O ARG A 129 3.845 20.119 87.261 1.00 15.06 O ATOM 308 CB ARG A 129 2.060 18.808 85.126 1.00 15.37 C ATOM 309 CG ARG A 129 3.065 18.442 83.986 1.00 15.48 C ATOM 310 CD ARG A 129 2.505 18.821 82.642 1.00 15.83 C ATOM 311 NE ARG A 129 2.171 20.239 82.615 1.00 15.86 N ATOM 312 CZ ARG A 129 1.206 20.759 81.852 1.00 16.61 C ATOM 313 NH1 ARG A 129 0.445 19.989 81.067 1.00 17.64 N ATOM 314 NH2 ARG A 129 1.003 22.052 81.931 1.00 17.30 N ATOM 315 HE ARG A 129 2.715 20.883 83.224 1.00 0.00 H ATOM 316 HH12 ARG A 129 -0.300 20.418 80.482 1.00 0.00 H ATOM 317 HH11 ARG A 129 0.598 18.961 81.041 1.00 0.00 H ATOM 318 HH22 ARG A 129 0.262 22.498 81.354 1.00 0.00 H ATOM 319 HH21 ARG A 129 1.583 22.631 82.571 1.00 0.00 H ATOM 320 H ARG A 129 0.631 19.156 87.132 1.00 0.00 H ATOM 321 N GLY A 130 4.924 18.251 86.624 1.00 13.79 N ATOM 322 CA GLY A 130 6.241 18.853 86.656 1.00 13.80 C ATOM 323 C GLY A 130 7.113 18.238 87.741 1.00 13.28 C ATOM 324 O GLY A 130 6.987 17.060 88.101 1.00 14.44 O ATOM 325 H GLY A 130 4.837 17.236 86.417 1.00 0.00 H ATOM 326 N ILE A 131 8.025 19.046 88.254 1.00 12.68 N ATOM 327 CA ILE A 131 8.987 18.614 89.255 1.00 12.10 C ATOM 328 C ILE A 131 8.502 19.045 90.622 1.00 12.23 C ATOM 329 O ILE A 131 8.368 20.244 90.907 1.00 13.48 O ATOM 330 CB ILE A 131 10.404 19.128 88.971 1.00 12.58 C ATOM 331 CG1 ILE A 131 10.862 18.696 87.573 1.00 13.61 C ATOM 332 CG2 ILE A 131 11.361 18.628 90.051 1.00 14.27 C ATOM 333 CD1 ILE A 131 12.197 19.335 87.107 1.00 14.58 C ATOM 334 H ILE A 131 8.056 20.033 87.928 1.00 0.00 H ATOM 335 N HIS A 132 8.242 18.064 91.455 1.00 12.06 N ATOM 336 CA HIS A 132 7.914 18.299 92.858 1.00 12.90 C ATOM 337 C HIS A 132 9.205 18.333 93.647 1.00 12.94 C ATOM 338 O HIS A 132 10.078 17.484 93.446 1.00 13.87 O ATOM 339 CB HIS A 132 7.027 17.152 93.362 1.00 13.56 C ATOM 340 CG HIS A 132 5.674 17.173 92.736 1.00 14.12 C ATOM 341 ND1 HIS A 132 4.536 17.503 93.446 1.00 16.45 N ATOM 342 CD2 HIS A 132 5.283 16.952 91.460 1.00 13.83 C ATOM 343 CE1 HIS A 132 3.494 17.482 92.618 1.00 15.16 C ATOM 344 NE2 HIS A 132 3.913 17.123 91.423 1.00 14.02 N ATOM 345 H HIS A 132 8.271 17.086 91.103 1.00 0.00 H ATOM 346 N VAL A 133 9.329 19.310 94.533 1.00 13.29 N ATOM 347 CA VAL A 133 10.528 19.497 95.321 1.00 13.66 C ATOM 348 C VAL A 133 10.120 19.572 96.784 1.00 13.30 C ATOM 349 O VAL A 133 9.248 20.364 97.153 1.00 15.20 O ATOM 350 CB VAL A 133 11.271 20.787 94.933 1.00 15.33 C ATOM 351 CG1 VAL A 133 12.550 20.912 95.783 1.00 16.61 C ATOM 352 CG2 VAL A 133 11.615 20.806 93.431 1.00 15.84 C ATOM 353 H VAL A 133 8.534 19.967 94.667 1.00 0.00 H ATOM 354 N ILE A 134 10.756 18.745 97.603 1.00 12.82 N ATOM 355 CA ILE A 134 10.540 18.733 99.055 1.00 13.39 C ATOM 356 C ILE A 134 11.893 18.971 99.704 1.00 12.64 C ATOM 357 O ILE A 134 12.908 18.384 99.295 1.00 14.42 O ATOM 358 CB ILE A 134 9.972 17.374 99.519 1.00 17.19 C ATOM 359 CG1 ILE A 134 8.522 17.214 99.053 1.00 22.36 C ATOM 360 CG2 ILE A 134 10.069 17.245 101.040 1.00 19.65 C ATOM 361 CD1 ILE A 134 7.521 17.738 100.073 1.00 26.66 C ATOM 362 H ILE A 134 11.439 18.074 97.198 1.00 0.00 H ATOM 363 N VAL A 135 11.925 19.865 100.692 1.00 12.12 N ATOM 364 CA VAL A 135 13.152 20.172 101.430 1.00 12.58 C ATOM 365 C VAL A 135 12.926 19.712 102.861 1.00 12.44 C ATOM 366 O VAL A 135 11.909 20.082 103.471 1.00 12.77 O ATOM 367 CB VAL A 135 13.433 21.683 101.398 1.00 13.20 C ATOM 368 CG1 VAL A 135 14.678 22.005 102.222 1.00 13.81 C ATOM 369 CG2 VAL A 135 13.543 22.215 99.972 1.00 14.57 C ATOM 370 H VAL A 135 11.048 20.362 100.948 1.00 0.00 H ATOM 371 N LEU A 136 13.849 18.908 103.396 1.00 12.69 N ATOM 372 CA LEU A 136 13.732 18.425 104.767 1.00 12.75 C ATOM 373 C LEU A 136 14.856 19.001 105.620 1.00 12.07 C ATOM 374 O LEU A 136 15.995 19.179 105.177 1.00 12.93 O ATOM 375 CB LEU A 136 13.894 16.909 104.876 1.00 14.00 C ATOM 376 CG LEU A 136 12.985 16.068 103.989 1.00 14.09 C ATOM 377 CD1 LEU A 136 13.278 14.601 104.237 1.00 15.95 C ATOM 378 CD2 LEU A 136 11.509 16.364 104.176 1.00 14.25 C ATOM 379 H LEU A 136 14.668 18.621 102.823 1.00 0.00 H ATOM 380 N ASN A 137 14.533 19.211 106.902 1.00 12.77 N ATOM 381 CA ASN A 137 15.552 19.501 107.901 1.00 12.93 C ATOM 382 C ASN A 137 16.444 18.283 108.070 1.00 13.28 C ATOM 383 O ASN A 137 15.960 17.157 108.192 1.00 14.43 O ATOM 384 CB ASN A 137 14.861 19.870 109.214 1.00 14.35 C ATOM 385 CG ASN A 137 15.865 20.132 110.313 1.00 14.27 C ATOM 386 OD1 ASN A 137 16.444 19.185 110.868 1.00 14.42 O ATOM 387 ND2 ASN A 137 16.117 21.395 110.612 1.00 14.87 N ATOM 388 HD22 ASN A 137 15.607 22.157 110.121 1.00 0.00 H ATOM 389 HD21 ASN A 137 16.825 21.626 111.338 1.00 0.00 H ATOM 390 H ASN A 137 13.535 19.166 107.190 1.00 0.00 H ATOM 391 N GLN A 138 17.756 18.519 108.046 1.00 13.85 N ATOM 392 CA GLN A 138 18.725 17.429 107.972 1.00 14.61 C ATOM 393 C GLN A 138 19.022 16.745 109.302 1.00 15.01 C ATOM 394 O GLN A 138 19.772 15.768 109.296 1.00 16.37 O ATOM 395 CB GLN A 138 20.019 17.940 107.344 1.00 15.67 C ATOM 396 CG GLN A 138 20.712 19.092 108.132 1.00 16.06 C ATOM 397 CD GLN A 138 20.331 20.482 107.698 1.00 15.75 C ATOM 398 OE1 GLN A 138 19.151 20.766 107.433 1.00 15.72 O ATOM 399 NE2 GLN A 138 21.315 21.366 107.602 1.00 16.64 N ATOM 400 HE22 GLN A 138 22.290 21.086 107.834 1.00 0.00 H ATOM 401 HE21 GLN A 138 21.112 22.339 107.295 1.00 0.00 H ATOM 402 H GLN A 138 18.097 19.501 108.081 1.00 0.00 H ATOM 403 N ALA A 139 18.491 17.271 110.419 1.00 15.26 N ATOM 404 CA ALA A 139 18.571 16.622 111.740 1.00 15.64 C ATOM 405 C ALA A 139 17.286 15.912 112.137 1.00 16.32 C ATOM 406 O ALA A 139 17.350 14.879 112.807 1.00 18.47 O ATOM 407 CB ALA A 139 18.918 17.653 112.816 1.00 16.99 C ATOM 408 H ALA A 139 17.998 18.184 110.348 1.00 0.00 H ATOM 409 N THR A 140 16.114 16.427 111.752 1.00 15.90 N ATOM 410 CA THR A 140 14.830 15.889 112.189 1.00 16.12 C ATOM 411 C THR A 140 14.017 15.243 111.089 1.00 15.80 C ATOM 412 O THR A 140 13.083 14.499 111.388 1.00 17.19 O ATOM 413 CB THR A 140 13.950 16.990 112.814 1.00 16.85 C ATOM 414 OG1 THR A 140 13.669 17.950 111.795 1.00 15.50 O ATOM 415 CG2 THR A 140 14.672 17.626 113.978 1.00 18.77 C ATOM 416 HG1 THR A 140 14.518 18.334 111.462 1.00 0.00 H ATOM 417 H THR A 140 16.118 17.247 111.113 1.00 0.00 H ATOM 418 N GLY A 141 14.297 15.562 109.820 1.00 15.39 N ATOM 419 CA GLY A 141 13.419 15.121 108.742 1.00 14.94 C ATOM 420 C GLY A 141 12.139 15.909 108.587 1.00 15.55 C ATOM 421 O GLY A 141 11.331 15.573 107.703 1.00 16.33 O ATOM 422 H GLY A 141 15.143 16.126 109.602 1.00 0.00 H ATOM 423 N HIS A 142 11.922 16.953 109.393 1.00 14.59 N ATOM 424 CA HIS A 142 10.717 17.742 109.206 1.00 14.29 C ATOM 425 C HIS A 142 10.728 18.420 107.833 1.00 13.64 C ATOM 426 O HIS A 142 11.776 18.869 107.360 1.00 13.83 O ATOM 427 CB HIS A 142 10.584 18.790 110.310 1.00 16.00 C ATOM 428 CG HIS A 142 10.307 18.208 111.639 1.00 20.15 C ATOM 429 ND1 HIS A 142 10.160 18.977 112.754 1.00 24.27 N ATOM 430 CD2 HIS A 142 10.157 16.926 112.032 1.00 24.20 C ATOM 431 CE1 HIS A 142 9.917 18.207 113.791 1.00 25.32 C ATOM 432 NE2 HIS A 142 9.920 16.954 113.387 1.00 26.08 N ATOM 433 H HIS A 142 12.603 17.196 110.140 1.00 0.00 H ATOM 434 N VAL A 143 9.546 18.562 107.219 1.00 13.09 N ATOM 435 CA VAL A 143 9.426 19.210 105.919 1.00 14.04 C ATOM 436 C VAL A 143 9.516 20.714 106.084 1.00 13.64 C ATOM 437 O VAL A 143 8.704 21.327 106.772 1.00 15.08 O ATOM 438 CB VAL A 143 8.094 18.851 105.257 1.00 14.78 C ATOM 439 CG1 VAL A 143 7.995 19.616 103.954 1.00 15.29 C ATOM 440 CG2 VAL A 143 8.073 17.351 105.039 1.00 16.35 C ATOM 441 H VAL A 143 8.689 18.199 107.683 1.00 0.00 H ATOM 442 N MET A 144 10.543 21.323 105.478 1.00 12.62 N ATOM 443 CA MET A 144 10.746 22.764 105.487 1.00 13.16 C ATOM 444 C MET A 144 10.028 23.470 104.340 1.00 13.81 C ATOM 445 O MET A 144 9.653 24.640 104.485 1.00 15.96 O ATOM 446 CB MET A 144 12.241 23.081 105.410 1.00 14.43 C ATOM 447 CG MET A 144 13.017 22.517 106.588 1.00 16.64 C ATOM 448 SD MET A 144 12.642 23.278 108.188 1.00 18.59 S ATOM 449 CE MET A 144 11.472 22.206 108.932 1.00 19.77 C ATOM 450 H MET A 144 11.234 20.733 104.972 1.00 0.00 H ATOM 451 N ALA A 145 9.855 22.786 103.208 1.00 12.95 N ATOM 452 CA ALA A 145 9.229 23.390 102.044 1.00 13.21 C ATOM 453 C ALA A 145 8.729 22.286 101.151 1.00 12.62 C ATOM 454 O ALA A 145 9.353 21.219 101.053 1.00 12.92 O ATOM 455 CB ALA A 145 10.224 24.280 101.267 1.00 14.82 C ATOM 456 H ALA A 145 10.175 21.798 103.157 1.00 0.00 H ATOM 457 N LYS A 146 7.658 22.599 100.442 1.00 13.37 N ATOM 458 CA LYS A 146 7.097 21.688 99.470 1.00 14.85 C ATOM 459 C LYS A 146 6.621 22.533 98.309 1.00 15.38 C ATOM 460 O LYS A 146 5.789 23.403 98.513 1.00 20.65 O ATOM 461 CB LYS A 146 5.930 20.899 100.117 1.00 18.19 C ATOM 462 CG LYS A 146 5.143 20.060 99.146 1.00 23.62 C ATOM 463 CD LYS A 146 4.317 18.952 99.859 1.00 29.79 C ATOM 464 CE LYS A 146 3.343 19.437 100.874 1.00 35.57 C ATOM 465 NZ LYS A 146 2.391 18.300 101.200 1.00 38.62 N ATOM 466 HZ1 LYS A 146 1.892 18.009 100.335 1.00 0.00 H ATOM 467 HZ2 LYS A 146 2.931 17.495 101.578 1.00 0.00 H ATOM 468 HZ3 LYS A 146 1.701 18.620 101.909 1.00 0.00 H ATOM 469 H LYS A 146 7.207 23.525 100.587 1.00 0.00 H ATOM 470 N ARG A 147 7.133 22.275 97.114 1.00 13.35 N ATOM 471 CA ARG A 147 6.822 23.040 95.927 1.00 13.78 C ATOM 472 C ARG A 147 6.556 22.110 94.767 1.00 13.09 C ATOM 473 O ARG A 147 6.984 20.961 94.762 1.00 13.38 O ATOM 474 CB ARG A 147 7.989 23.933 95.527 1.00 16.39 C ATOM 475 CG ARG A 147 8.453 24.956 96.602 1.00 20.12 C ATOM 476 CD ARG A 147 7.303 25.881 97.100 1.00 23.75 C ATOM 477 NE ARG A 147 7.800 26.960 97.997 1.00 24.96 N ATOM 478 CZ ARG A 147 8.334 28.051 97.503 1.00 26.32 C ATOM 479 NH1 ARG A 147 8.429 28.158 96.178 1.00 28.50 N ATOM 480 NH2 ARG A 147 8.821 28.989 98.285 1.00 24.35 N ATOM 481 HE ARG A 147 7.723 26.847 99.028 1.00 0.00 H ATOM 482 HH12 ARG A 147 8.847 29.010 95.754 1.00 0.00 H ATOM 483 HH11 ARG A 147 8.085 27.389 95.568 1.00 0.00 H ATOM 484 HH22 ARG A 147 9.240 29.846 97.871 1.00 0.00 H ATOM 485 HH21 ARG A 147 8.787 28.874 99.318 1.00 0.00 H ATOM 486 H ARG A 147 7.795 21.478 97.025 1.00 0.00 H ATOM 487 N VAL A 148 5.856 22.645 93.767 1.00 13.39 N ATOM 488 CA VAL A 148 5.811 22.008 92.454 1.00 14.71 C ATOM 489 C VAL A 148 6.095 23.047 91.388 1.00 13.94 C ATOM 490 O VAL A 148 5.555 24.149 91.436 1.00 15.87 O ATOM 491 CB VAL A 148 4.511 21.225 92.206 1.00 18.12 C ATOM 492 CG1 VAL A 148 3.334 22.088 92.338 1.00 20.30 C ATOM 493 CG2 VAL A 148 4.508 20.585 90.825 1.00 18.38 C ATOM 494 H VAL A 148 5.333 23.530 93.924 1.00 0.00 H ATOM 495 N PHE A 149 6.989 22.718 90.467 1.00 12.99 N ATOM 496 CA PHE A 149 7.338 23.582 89.347 1.00 13.22 C ATOM 497 C PHE A 149 6.912 22.882 88.077 1.00 13.34 C ATOM 498 O PHE A 149 7.435 21.811 87.745 1.00 13.65 O ATOM 499 CB PHE A 149 8.850 23.836 89.355 1.00 14.18 C ATOM 500 CG PHE A 149 9.309 24.528 90.608 1.00 14.52 C ATOM 501 CD1 PHE A 149 9.024 25.889 90.806 1.00 15.43 C ATOM 502 CD2 PHE A 149 9.890 23.793 91.651 1.00 14.56 C ATOM 503 CE1 PHE A 149 9.410 26.510 91.999 1.00 16.45 C ATOM 504 CE2 PHE A 149 10.244 24.424 92.845 1.00 14.85 C ATOM 505 CZ PHE A 149 10.005 25.745 93.031 1.00 16.10 C ATOM 506 H PHE A 149 7.465 21.797 90.548 1.00 0.00 H ATOM 507 N ASP A 150 5.978 23.489 87.356 1.00 13.80 N ATOM 508 CA ASP A 150 5.467 22.860 86.131 1.00 13.73 C ATOM 509 C ASP A 150 6.444 23.138 84.992 1.00 12.98 C ATOM 510 O ASP A 150 6.225 24.008 84.132 1.00 13.56 O ATOM 511 CB ASP A 150 4.099 23.430 85.797 1.00 14.30 C ATOM 512 CG ASP A 150 3.555 22.867 84.486 1.00 14.98 C ATOM 513 OD1 ASP A 150 4.055 21.824 84.026 1.00 14.77 O ATOM 514 OD2 ASP A 150 2.645 23.480 83.886 1.00 17.09 O ATOM 515 H ASP A 150 5.607 24.412 87.659 1.00 0.00 H ATOM 516 N THR A 151 7.555 22.396 84.992 1.00 12.87 N ATOM 517 CA THR A 151 8.629 22.642 84.027 1.00 13.16 C ATOM 518 C THR A 151 8.325 22.092 82.643 1.00 13.72 C ATOM 519 O THR A 151 9.163 22.228 81.762 1.00 14.24 O ATOM 520 CB THR A 151 9.941 22.138 84.594 1.00 13.41 C ATOM 521 OG1 THR A 151 9.751 20.790 85.043 1.00 13.71 O ATOM 522 CG2 THR A 151 10.402 22.981 85.739 1.00 13.81 C ATOM 523 HG1 THR A 151 9.472 20.225 84.279 1.00 0.00 H ATOM 524 H THR A 151 7.659 21.631 85.689 1.00 0.00 H ATOM 525 N TYR A 152 7.107 21.589 82.408 1.00 13.31 N ATOM 526 CA TYR A 152 6.589 21.458 81.054 1.00 13.82 C ATOM 527 C TYR A 152 6.237 22.824 80.459 1.00 14.69 C ATOM 528 O TYR A 152 6.139 22.941 79.229 1.00 15.35 O ATOM 529 CB TYR A 152 5.315 20.564 81.108 1.00 14.03 C ATOM 530 CG TYR A 152 4.628 20.463 79.763 1.00 15.30 C ATOM 531 CD1 TYR A 152 5.138 19.641 78.783 1.00 15.98 C ATOM 532 CD2 TYR A 152 3.478 21.205 79.478 1.00 15.95 C ATOM 533 CE1 TYR A 152 4.546 19.559 77.503 1.00 16.92 C ATOM 534 CE2 TYR A 152 2.871 21.121 78.206 1.00 16.72 C ATOM 535 CZ TYR A 152 3.426 20.312 77.232 1.00 17.38 C ATOM 536 OH TYR A 152 2.820 20.291 76.011 1.00 18.82 O ATOM 537 HH TYR A 152 2.822 21.203 75.627 1.00 0.00 H ATOM 538 H TYR A 152 6.518 21.285 83.210 1.00 0.00 H ATOM 539 N SER A 153 6.104 23.860 81.284 1.00 14.92 N ATOM 540 CA SER A 153 5.628 25.189 80.859 1.00 15.14 C ATOM 541 C SER A 153 6.738 26.215 81.051 1.00 15.16 C ATOM 542 O SER A 153 7.532 26.079 81.975 1.00 14.79 O ATOM 543 CB SER A 153 4.437 25.643 81.703 1.00 16.32 C ATOM 544 OG SER A 153 3.359 24.752 81.510 1.00 17.68 O ATOM 545 HG SER A 153 3.104 24.746 80.553 1.00 0.00 H ATOM 546 H SER A 153 6.350 23.724 82.285 1.00 0.00 H ATOM 547 N PRO A 154 6.802 27.262 80.231 1.00 15.96 N ATOM 548 CA PRO A 154 7.880 28.258 80.388 1.00 15.68 C ATOM 549 C PRO A 154 7.836 28.956 81.738 1.00 15.60 C ATOM 550 O PRO A 154 6.784 29.098 82.374 1.00 17.15 O ATOM 551 CB PRO A 154 7.647 29.262 79.248 1.00 16.94 C ATOM 552 CG PRO A 154 6.690 28.622 78.344 1.00 18.90 C ATOM 553 CD PRO A 154 5.949 27.537 79.067 1.00 17.60 C ATOM 554 N HIS A 155 9.012 29.385 82.170 1.00 15.21 N ATOM 555 CA HIS A 155 9.247 30.215 83.350 1.00 16.38 C ATOM 556 C HIS A 155 9.284 29.447 84.661 1.00 15.43 C ATOM 557 O HIS A 155 9.835 29.940 85.643 1.00 17.12 O ATOM 558 CB HIS A 155 8.302 31.424 83.462 1.00 19.62 C ATOM 559 CG HIS A 155 8.315 32.292 82.250 1.00 21.32 C ATOM 560 ND1 HIS A 155 9.322 33.205 81.996 1.00 23.52 N ATOM 561 CD2 HIS A 155 7.436 32.414 81.227 1.00 22.08 C ATOM 562 CE1 HIS A 155 9.059 33.849 80.870 1.00 25.09 C ATOM 563 NE2 HIS A 155 7.929 33.372 80.375 1.00 24.02 N ATOM 564 H HIS A 155 9.847 29.105 81.617 1.00 0.00 H ATOM 565 N GLU A 156 8.751 28.241 84.690 1.00 14.35 N ATOM 566 CA GLU A 156 8.735 27.515 85.949 1.00 14.86 C ATOM 567 C GLU A 156 10.124 27.035 86.354 1.00 14.22 C ATOM 568 O GLU A 156 10.430 26.979 87.556 1.00 15.99 O ATOM 569 CB GLU A 156 7.790 26.337 85.811 1.00 15.70 C ATOM 570 CG GLU A 156 6.306 26.757 85.705 1.00 17.30 C ATOM 571 CD GLU A 156 5.686 27.107 87.046 1.00 21.85 C ATOM 572 OE1 GLU A 156 5.716 26.311 87.977 1.00 22.35 O ATOM 573 OE2 GLU A 156 5.073 28.176 87.151 1.00 27.80 O ATOM 574 H GLU A 156 8.350 27.818 83.829 1.00 0.00 H ATOM 575 N ASP A 157 11.000 26.732 85.385 1.00 14.46 N ATOM 576 CA ASP A 157 12.362 26.347 85.734 1.00 14.26 C ATOM 577 C ASP A 157 13.130 27.520 86.330 1.00 14.00 C ATOM 578 O ASP A 157 13.961 27.338 87.224 1.00 14.35 O ATOM 579 CB ASP A 157 13.081 25.786 84.515 1.00 16.12 C ATOM 580 CG ASP A 157 13.325 26.820 83.398 1.00 20.47 C ATOM 581 OD1 ASP A 157 12.507 27.777 83.225 1.00 21.37 O ATOM 582 OD2 ASP A 157 14.336 26.657 82.629 1.00 22.07 O ATOM 583 H ASP A 157 10.709 26.772 84.387 1.00 0.00 H ATOM 584 N GLU A 158 12.795 28.743 85.911 1.00 14.83 N ATOM 585 CA GLU A 158 13.434 29.925 86.496 1.00 15.66 C ATOM 586 C GLU A 158 13.022 30.073 87.946 1.00 14.60 C ATOM 587 O GLU A 158 13.836 30.424 88.805 1.00 14.73 O ATOM 588 CB GLU A 158 13.022 31.173 85.719 1.00 18.90 C ATOM 589 CG GLU A 158 13.456 31.214 84.301 1.00 24.82 C ATOM 590 CD GLU A 158 12.840 32.433 83.513 1.00 32.87 C ATOM 591 OE1 GLU A 158 11.680 32.875 83.804 1.00 35.60 O ATOM 592 OE2 GLU A 158 13.528 32.928 82.616 1.00 36.04 O ATOM 593 H GLU A 158 12.078 28.857 85.167 1.00 0.00 H ATOM 594 N ALA A 159 11.738 29.873 88.224 1.00 15.08 N ATOM 595 CA ALA A 159 11.262 29.878 89.602 1.00 14.65 C ATOM 596 C ALA A 159 11.927 28.772 90.416 1.00 13.41 C ATOM 597 O ALA A 159 12.332 28.988 91.567 1.00 14.41 O ATOM 598 CB ALA A 159 9.747 29.714 89.641 1.00 16.04 C ATOM 599 H ALA A 159 11.064 29.711 87.449 1.00 0.00 H ATOM 600 N MET A 160 12.119 27.608 89.807 1.00 13.16 N ATOM 601 CA MET A 160 12.779 26.527 90.523 1.00 13.00 C ATOM 602 C MET A 160 14.217 26.878 90.882 1.00 12.99 C ATOM 603 O MET A 160 14.674 26.593 91.995 1.00 13.97 O ATOM 604 CB MET A 160 12.753 25.260 89.665 1.00 13.62 C ATOM 605 CG MET A 160 13.275 24.020 90.423 1.00 15.17 C ATOM 606 SD MET A 160 13.078 22.539 89.473 1.00 17.97 S ATOM 607 CE MET A 160 14.346 22.839 88.352 1.00 21.62 C ATOM 608 H MET A 160 11.800 27.470 88.827 1.00 0.00 H ATOM 609 N VAL A 161 14.945 27.514 89.950 1.00 13.07 N ATOM 610 CA VAL A 161 16.320 27.926 90.203 1.00 13.44 C ATOM 611 C VAL A 161 16.375 28.937 91.335 1.00 13.57 C ATOM 612 O VAL A 161 17.184 28.818 92.257 1.00 14.16 O ATOM 613 CB VAL A 161 16.929 28.477 88.919 1.00 14.62 C ATOM 614 CG1 VAL A 161 18.230 29.239 89.247 1.00 15.71 C ATOM 615 CG2 VAL A 161 17.230 27.364 87.942 1.00 16.01 C ATOM 616 H VAL A 161 14.517 27.718 89.024 1.00 0.00 H ATOM 617 N LEU A 162 15.502 29.942 91.297 1.00 13.86 N ATOM 618 CA LEU A 162 15.498 30.930 92.361 1.00 15.36 C ATOM 619 C LEU A 162 15.196 30.290 93.705 1.00 16.26 C ATOM 620 O LEU A 162 15.831 30.635 94.717 1.00 18.19 O ATOM 621 CB LEU A 162 14.517 32.056 92.008 1.00 16.35 C ATOM 622 CG LEU A 162 15.040 33.021 90.925 1.00 18.96 C ATOM 623 CD1 LEU A 162 13.870 33.752 90.226 1.00 20.12 C ATOM 624 CD2 LEU A 162 16.011 34.023 91.531 1.00 20.61 C ATOM 625 H LEU A 162 14.827 30.019 90.510 1.00 0.00 H ATOM 626 N PHE A 163 14.262 29.338 93.731 1.00 14.87 N ATOM 627 CA PHE A 163 13.915 28.668 94.967 1.00 14.63 C ATOM 628 C PHE A 163 15.095 27.827 95.482 1.00 14.43 C ATOM 629 O PHE A 163 15.492 27.914 96.650 1.00 15.78 O ATOM 630 CB PHE A 163 12.712 27.772 94.734 1.00 15.48 C ATOM 631 CG PHE A 163 12.416 26.907 95.904 1.00 15.69 C ATOM 632 CD1 PHE A 163 11.804 27.444 97.054 1.00 17.78 C ATOM 633 CD2 PHE A 163 12.755 25.578 95.876 1.00 16.36 C ATOM 634 CE1 PHE A 163 11.577 26.608 98.176 1.00 19.71 C ATOM 635 CE2 PHE A 163 12.525 24.744 96.991 1.00 18.41 C ATOM 636 CZ PHE A 163 11.969 25.267 98.122 1.00 19.67 C ATOM 637 H PHE A 163 13.776 29.073 92.851 1.00 0.00 H ATOM 638 N LEU A 164 15.646 26.983 94.618 1.00 14.37 N ATOM 639 CA LEU A 164 16.729 26.095 95.030 1.00 14.38 C ATOM 640 C LEU A 164 17.944 26.877 95.492 1.00 14.97 C ATOM 641 O LEU A 164 18.652 26.439 96.416 1.00 15.68 O ATOM 642 CB LEU A 164 17.124 25.166 93.911 1.00 14.98 C ATOM 643 CG LEU A 164 16.122 24.050 93.624 1.00 16.70 C ATOM 644 CD1 LEU A 164 16.548 23.236 92.421 1.00 18.77 C ATOM 645 CD2 LEU A 164 15.907 23.158 94.870 1.00 19.60 C ATOM 646 H LEU A 164 15.302 26.954 93.637 1.00 0.00 H ATOM 647 N ASN A 165 18.238 28.016 94.844 1.00 15.52 N ATOM 648 CA ASN A 165 19.390 28.788 95.294 1.00 18.16 C ATOM 649 C ASN A 165 19.228 29.347 96.694 1.00 18.90 C ATOM 650 O ASN A 165 20.230 29.691 97.315 1.00 21.47 O ATOM 651 CB ASN A 165 19.650 29.934 94.329 1.00 21.43 C ATOM 652 CG ASN A 165 20.344 29.464 93.061 1.00 24.21 C ATOM 653 OD1 ASN A 165 20.989 28.420 93.069 1.00 26.05 O ATOM 654 ND2 ASN A 165 20.248 30.247 91.990 1.00 26.48 N ATOM 655 HD22 ASN A 165 19.688 31.123 92.034 1.00 0.00 H ATOM 656 HD21 ASN A 165 20.732 29.984 91.108 1.00 0.00 H ATOM 657 H ASN A 165 17.659 28.339 94.042 1.00 0.00 H ATOM 658 N MET A 166 18.010 29.454 97.211 1.00 17.94 N ATOM 659 CA MET A 166 17.824 29.912 98.585 1.00 20.74 C ATOM 660 C MET A 166 17.855 28.785 99.608 1.00 18.74 C ATOM 661 O MET A 166 17.897 29.065 100.825 1.00 20.06 O ATOM 662 CB MET A 166 16.498 30.661 98.655 1.00 26.85 C ATOM 663 CG MET A 166 16.471 31.892 97.837 1.00 34.34 C ATOM 664 SD MET A 166 15.505 33.184 98.610 1.00 41.47 S ATOM 665 CE MET A 166 13.809 32.633 98.309 1.00 46.40 C ATOM 666 H MET A 166 17.181 29.210 96.632 1.00 0.00 H ATOM 667 N VAL A 167 17.844 27.518 99.172 1.00 16.85 N ATOM 668 CA VAL A 167 17.884 26.395 100.102 1.00 16.85 C ATOM 669 C VAL A 167 19.288 26.279 100.709 1.00 17.63 C ATOM 670 O VAL A 167 20.297 26.373 100.006 1.00 20.31 O ATOM 671 CB VAL A 167 17.488 25.097 99.364 1.00 16.43 C ATOM 672 CG1 VAL A 167 17.657 23.856 100.283 1.00 17.57 C ATOM 673 CG2 VAL A 167 16.056 25.158 98.850 1.00 17.07 C ATOM 674 H VAL A 167 17.806 27.331 98.150 1.00 0.00 H ATOM 675 N ALA A 168 19.373 26.055 102.021 1.00 18.34 N ATOM 676 CA ALA A 168 20.688 25.922 102.677 1.00 19.17 C ATOM 677 C ALA A 168 21.429 24.660 102.226 1.00 21.36 C ATOM 678 O ALA A 168 20.787 23.620 102.010 1.00 22.11 O ATOM 679 CB ALA A 168 20.482 25.851 104.187 1.00 20.08 C ATOM 680 H ALA A 168 18.504 25.973 102.587 1.00 0.00 H ATOM 681 N PRO A 169 22.780 24.695 102.174 1.00 21.33 N ATOM 682 CA PRO A 169 23.516 23.522 101.668 1.00 23.86 C ATOM 683 C PRO A 169 23.271 22.244 102.447 1.00 25.08 C ATOM 684 O PRO A 169 23.411 21.136 101.900 1.00 27.98 O ATOM 685 CB PRO A 169 24.977 23.968 101.784 1.00 24.90 C ATOM 686 CG PRO A 169 24.939 25.408 101.585 1.00 25.88 C ATOM 687 CD PRO A 169 23.670 25.884 102.207 1.00 23.03 C ATOM 688 N GLY A 170 22.988 22.344 103.709 1.00 22.81 N ATOM 689 CA GLY A 170 22.847 21.073 104.437 1.00 20.61 C ATOM 690 C GLY A 170 21.476 20.400 104.334 1.00 17.53 C ATOM 691 O GLY A 170 21.325 19.278 104.810 1.00 17.97 O ATOM 692 H GLY A 170 22.868 23.265 104.177 1.00 0.00 H ATOM 693 N ARG A 171 20.492 21.036 103.712 1.00 15.73 N ATOM 694 CA ARG A 171 19.165 20.451 103.701 1.00 14.14 C ATOM 695 C ARG A 171 19.132 19.184 102.871 1.00 14.22 C ATOM 696 O ARG A 171 19.943 18.991 101.948 1.00 15.20 O ATOM 697 CB ARG A 171 18.189 21.404 103.033 1.00 14.63 C ATOM 698 CG ARG A 171 17.979 22.733 103.720 1.00 16.14 C ATOM 699 CD ARG A 171 17.586 22.559 105.145 1.00 16.91 C ATOM 700 NE ARG A 171 16.988 23.763 105.723 1.00 15.76 N ATOM 701 CZ ARG A 171 16.828 23.982 107.026 1.00 15.02 C ATOM 702 NH1 ARG A 171 17.306 23.095 107.902 1.00 15.25 N ATOM 703 NH2 ARG A 171 16.138 25.041 107.425 1.00 16.53 N ATOM 704 HE ARG A 171 16.664 24.502 105.067 1.00 0.00 H ATOM 705 HH12 ARG A 171 17.187 23.256 108.923 1.00 0.00 H ATOM 706 HH11 ARG A 171 17.798 22.243 107.564 1.00 0.00 H ATOM 707 HH22 ARG A 171 16.006 25.223 108.440 1.00 0.00 H ATOM 708 HH21 ARG A 171 15.729 25.690 106.723 1.00 0.00 H ATOM 709 H ARG A 171 20.670 21.944 103.237 1.00 0.00 H ATOM 710 N VAL A 172 18.181 18.304 103.203 1.00 14.06 N ATOM 711 CA VAL A 172 17.881 17.191 102.313 1.00 14.07 C ATOM 712 C VAL A 172 16.928 17.670 101.229 1.00 13.50 C ATOM 713 O VAL A 172 15.909 18.286 101.527 1.00 14.23 O ATOM 714 CB VAL A 172 17.239 16.022 103.090 1.00 15.95 C ATOM 715 CG1 VAL A 172 16.914 14.879 102.130 1.00 15.76 C ATOM 716 CG2 VAL A 172 18.149 15.584 104.244 1.00 19.30 C ATOM 717 H VAL A 172 17.657 18.414 104.095 1.00 0.00 H ATOM 718 N LEU A 173 17.294 17.430 99.981 1.00 13.07 N ATOM 719 CA LEU A 173 16.510 17.816 98.819 1.00 13.97 C ATOM 720 C LEU A 173 15.949 16.576 98.142 1.00 12.87 C ATOM 721 O LEU A 173 16.687 15.624 97.871 1.00 13.98 O ATOM 722 CB LEU A 173 17.428 18.532 97.837 1.00 18.72 C ATOM 723 CG LEU A 173 16.802 19.158 96.667 1.00 26.43 C ATOM 724 CD1 LEU A 173 15.862 20.245 97.197 1.00 27.61 C ATOM 725 CD2 LEU A 173 17.935 19.733 95.876 1.00 30.38 C ATOM 726 H LEU A 173 18.195 16.936 99.821 1.00 0.00 H ATOM 727 N ILE A 174 14.651 16.582 97.901 1.00 12.17 N ATOM 728 CA ILE A 174 13.950 15.505 97.207 1.00 12.86 C ATOM 729 C ILE A 174 13.254 16.073 95.984 1.00 12.31 C ATOM 730 O ILE A 174 12.542 17.068 96.094 1.00 14.00 O ATOM 731 CB ILE A 174 12.948 14.830 98.165 1.00 13.19 C ATOM 732 CG1 ILE A 174 13.698 14.207 99.352 1.00 14.93 C ATOM 733 CG2 ILE A 174 12.109 13.776 97.421 1.00 14.54 C ATOM 734 CD1 ILE A 174 12.753 13.808 100.524 1.00 16.53 C ATOM 735 H ILE A 174 14.096 17.400 98.224 1.00 0.00 H ATOM 736 N CYS A 175 13.446 15.429 94.839 1.00 12.72 N ATOM 737 CA CYS A 175 12.732 15.814 93.630 1.00 13.05 C ATOM 738 C CYS A 175 12.037 14.601 93.029 1.00 12.60 C ATOM 739 O CYS A 175 12.594 13.488 93.060 1.00 13.63 O ATOM 740 CB CYS A 175 13.689 16.397 92.546 1.00 14.60 C ATOM 741 SG CYS A 175 14.619 17.853 93.092 1.00 16.79 S ATOM 742 H CYS A 175 14.118 14.636 94.805 1.00 0.00 H ATOM 743 N THR A 176 10.860 14.815 92.449 1.00 12.13 N ATOM 744 CA THR A 176 10.164 13.740 91.757 1.00 12.15 C ATOM 745 C THR A 176 9.299 14.325 90.650 1.00 12.05 C ATOM 746 O THR A 176 8.652 15.363 90.848 1.00 13.68 O ATOM 747 CB THR A 176 9.387 12.864 92.744 1.00 14.07 C ATOM 748 OG1 THR A 176 8.872 11.780 92.018 1.00 14.83 O ATOM 749 CG2 THR A 176 8.328 13.556 93.505 1.00 15.29 C ATOM 750 HG1 THR A 176 8.361 11.189 92.627 1.00 0.00 H ATOM 751 H THR A 176 10.431 15.762 92.490 1.00 0.00 H ATOM 752 N VAL A 177 9.273 13.678 89.483 1.00 12.05 N ATOM 753 CA VAL A 177 8.509 14.155 88.331 1.00 12.43 C ATOM 754 C VAL A 177 7.132 13.510 88.268 1.00 12.45 C ATOM 755 O VAL A 177 6.986 12.291 88.403 1.00 12.92 O ATOM 756 CB VAL A 177 9.287 13.836 87.041 1.00 12.81 C ATOM 757 CG1 VAL A 177 8.443 14.125 85.797 1.00 14.67 C ATOM 758 CG2 VAL A 177 10.545 14.679 87.003 1.00 14.31 C ATOM 759 H VAL A 177 9.819 12.798 89.389 1.00 0.00 H ATOM 760 N LYS A 178 6.126 14.320 88.004 1.00 12.29 N ATOM 761 CA LYS A 178 4.810 13.820 87.607 1.00 13.18 C ATOM 762 C LYS A 178 4.557 14.220 86.160 1.00 13.06 C ATOM 763 O LYS A 178 4.633 15.393 85.821 1.00 13.16 O ATOM 764 CB LYS A 178 3.731 14.460 88.468 1.00 14.06 C ATOM 765 CG LYS A 178 2.360 13.790 88.230 1.00 15.88 C ATOM 766 CD LYS A 178 1.330 14.355 89.183 1.00 18.75 C ATOM 767 CE LYS A 178 -0.041 13.743 88.936 1.00 21.47 C ATOM 768 NZ LYS A 178 -1.087 14.445 89.702 1.00 23.18 N ATOM 769 HZ1 LYS A 178 -0.873 14.380 90.718 1.00 0.00 H ATOM 770 HZ2 LYS A 178 -1.114 15.444 89.415 1.00 0.00 H ATOM 771 HZ3 LYS A 178 -2.009 14.004 89.512 1.00 0.00 H ATOM 772 H LYS A 178 6.273 15.347 88.080 1.00 0.00 H ATOM 773 N ASP A 179 4.302 13.228 85.317 1.00 14.40 N ATOM 774 CA ASP A 179 3.898 13.410 83.915 1.00 15.19 C ATOM 775 C ASP A 179 5.053 13.865 83.024 1.00 15.08 C ATOM 776 O ASP A 179 5.586 13.066 82.232 1.00 16.15 O ATOM 777 CB ASP A 179 2.681 14.334 83.828 1.00 15.36 C ATOM 778 CG ASP A 179 2.250 14.646 82.386 1.00 17.12 C ATOM 779 OD1 ASP A 179 2.711 13.995 81.426 1.00 17.11 O ATOM 780 OD2 ASP A 179 1.455 15.606 82.224 1.00 19.22 O ATOM 781 H ASP A 179 4.394 12.255 85.672 1.00 0.00 H ATOM 782 N GLU A 180 5.403 15.152 83.067 1.00 14.46 N ATOM 783 CA GLU A 180 6.434 15.647 82.150 1.00 14.32 C ATOM 784 C GLU A 180 7.122 16.806 82.848 1.00 13.83 C ATOM 785 O GLU A 180 6.441 17.730 83.330 1.00 15.16 O ATOM 786 CB GLU A 180 5.737 16.150 80.851 1.00 15.01 C ATOM 787 CG GLU A 180 6.623 15.995 79.596 1.00 15.94 C ATOM 788 CD GLU A 180 7.940 16.721 79.650 1.00 16.71 C ATOM 789 OE1 GLU A 180 8.972 16.015 79.724 1.00 16.56 O ATOM 790 OE2 GLU A 180 7.963 17.999 79.695 1.00 16.08 O ATOM 791 H GLU A 180 4.949 15.797 83.744 1.00 0.00 H ATOM 792 N GLY A 181 8.453 16.755 82.941 1.00 12.78 N ATOM 793 CA GLY A 181 9.153 17.830 83.637 1.00 13.56 C ATOM 794 C GLY A 181 10.295 18.435 82.826 1.00 14.11 C ATOM 795 O GLY A 181 11.100 19.196 83.363 1.00 14.24 O ATOM 796 H GLY A 181 8.982 15.962 82.524 1.00 0.00 H ATOM 797 N SER A 182 10.427 18.085 81.548 1.00 13.67 N ATOM 798 CA SER A 182 11.628 18.414 80.782 1.00 12.92 C ATOM 799 C SER A 182 11.440 19.476 79.716 1.00 12.56 C ATOM 800 O SER A 182 12.428 20.111 79.333 1.00 13.26 O ATOM 801 CB SER A 182 12.184 17.168 80.095 1.00 13.64 C ATOM 802 OG SER A 182 11.400 16.775 78.979 1.00 14.79 O ATOM 803 HG SER A 182 10.478 16.575 79.279 1.00 0.00 H ATOM 804 H SER A 182 9.656 17.564 81.083 1.00 0.00 H ATOM 805 N PHE A 183 10.227 19.695 79.196 1.00 13.16 N ATOM 806 CA PHE A 183 10.107 20.494 77.973 1.00 13.14 C ATOM 807 C PHE A 183 10.734 21.865 78.166 1.00 13.09 C ATOM 808 O PHE A 183 11.436 22.359 77.279 1.00 13.98 O ATOM 809 CB PHE A 183 8.626 20.587 77.584 1.00 12.95 C ATOM 810 CG PHE A 183 8.331 21.348 76.298 1.00 13.11 C ATOM 811 CD1 PHE A 183 9.254 21.474 75.265 1.00 13.83 C ATOM 812 CD2 PHE A 183 7.074 21.873 76.126 1.00 14.35 C ATOM 813 CE1 PHE A 183 8.910 22.136 74.093 1.00 13.95 C ATOM 814 CE2 PHE A 183 6.717 22.587 74.966 1.00 14.39 C ATOM 815 CZ PHE A 183 7.638 22.708 73.950 1.00 14.31 C ATOM 816 H PHE A 183 9.379 19.303 79.654 1.00 0.00 H ATOM 817 N HIS A 184 10.452 22.505 79.302 1.00 12.88 N ATOM 818 CA HIS A 184 11.013 23.801 79.638 1.00 13.14 C ATOM 819 C HIS A 184 11.956 23.724 80.830 1.00 12.90 C ATOM 820 O HIS A 184 12.074 24.679 81.607 1.00 13.96 O ATOM 821 CB HIS A 184 9.934 24.862 79.832 1.00 13.61 C ATOM 822 CG HIS A 184 9.328 25.227 78.531 1.00 14.70 C ATOM 823 ND1 HIS A 184 9.869 26.214 77.736 1.00 16.00 N ATOM 824 CD2 HIS A 184 8.299 24.691 77.844 1.00 16.57 C ATOM 825 CE1 HIS A 184 9.166 26.300 76.629 1.00 18.45 C ATOM 826 NE2 HIS A 184 8.239 25.354 76.648 1.00 18.45 N ATOM 827 H HIS A 184 9.801 22.055 79.977 1.00 0.00 H ATOM 828 N LEU A 185 12.666 22.603 80.980 1.00 12.79 N ATOM 829 CA LEU A 185 13.776 22.532 81.923 1.00 13.35 C ATOM 830 C LEU A 185 15.026 22.952 81.177 1.00 14.10 C ATOM 831 O LEU A 185 15.641 22.149 80.473 1.00 15.35 O ATOM 832 CB LEU A 185 13.892 21.129 82.480 1.00 13.44 C ATOM 833 CG LEU A 185 14.860 20.959 83.662 1.00 14.44 C ATOM 834 CD1 LEU A 185 14.350 21.632 84.927 1.00 15.70 C ATOM 835 CD2 LEU A 185 15.134 19.474 83.882 1.00 16.37 C ATOM 836 H LEU A 185 12.423 21.765 80.414 1.00 0.00 H ATOM 837 N LYS A 186 15.377 24.212 81.286 1.00 14.60 N ATOM 838 CA LYS A 186 16.378 24.784 80.401 1.00 14.84 C ATOM 839 C LYS A 186 17.761 24.739 81.039 1.00 15.43 C ATOM 840 O LYS A 186 17.978 24.166 82.120 1.00 15.43 O ATOM 841 CB LYS A 186 15.924 26.150 79.874 1.00 15.18 C ATOM 842 CG LYS A 186 14.600 26.069 79.076 1.00 16.26 C ATOM 843 CD LYS A 186 14.528 24.958 78.082 1.00 16.27 C ATOM 844 CE LYS A 186 13.515 25.229 76.974 1.00 16.85 C ATOM 845 NZ LYS A 186 13.380 24.016 76.107 1.00 18.11 N ATOM 846 HZ1 LYS A 186 14.303 23.789 75.684 1.00 0.00 H ATOM 847 HZ2 LYS A 186 13.055 23.214 76.684 1.00 0.00 H ATOM 848 HZ3 LYS A 186 12.689 24.205 75.353 1.00 0.00 H ATOM 849 H LYS A 186 14.934 24.808 82.014 1.00 0.00 H ATOM 850 N ASP A 187 18.726 25.373 80.377 1.00 16.67 N ATOM 851 CA ASP A 187 20.130 25.096 80.695 1.00 19.28 C ATOM 852 C ASP A 187 20.546 25.543 82.089 1.00 17.11 C ATOM 853 O ASP A 187 21.325 24.843 82.735 1.00 16.71 O ATOM 854 CB ASP A 187 21.038 25.627 79.601 1.00 25.79 C ATOM 855 CG ASP A 187 20.972 24.750 78.328 1.00 33.87 C ATOM 856 OD1 ASP A 187 20.262 23.705 78.335 1.00 35.82 O ATOM 857 OD2 ASP A 187 21.644 25.082 77.341 1.00 38.47 O ATOM 858 H ASP A 187 18.485 26.063 79.637 1.00 0.00 H ATOM 859 N THR A 188 20.045 26.675 82.579 1.00 16.69 N ATOM 860 CA THR A 188 20.448 27.115 83.923 1.00 16.94 C ATOM 861 C THR A 188 19.952 26.137 84.982 1.00 15.32 C ATOM 862 O THR A 188 20.680 25.798 85.927 1.00 16.97 O ATOM 863 CB THR A 188 19.929 28.514 84.197 1.00 19.77 C ATOM 864 OG1 THR A 188 20.446 29.392 83.188 1.00 22.81 O ATOM 865 CG2 THR A 188 20.398 29.012 85.559 1.00 20.48 C ATOM 866 HG1 THR A 188 20.142 29.085 82.297 1.00 0.00 H ATOM 867 H THR A 188 19.377 27.241 82.018 1.00 0.00 H ATOM 868 N ALA A 189 18.716 25.641 84.829 1.00 14.70 N ATOM 869 CA ALA A 189 18.180 24.671 85.780 1.00 14.65 C ATOM 870 C ALA A 189 18.934 23.364 85.705 1.00 14.32 C ATOM 871 O ALA A 189 19.256 22.750 86.732 1.00 14.66 O ATOM 872 CB ALA A 189 16.700 24.459 85.478 1.00 14.85 C ATOM 873 H ALA A 189 18.133 25.950 84.025 1.00 0.00 H ATOM 874 N LYS A 190 19.222 22.911 84.476 1.00 14.27 N ATOM 875 CA LYS A 190 20.002 21.681 84.353 1.00 14.41 C ATOM 876 C LYS A 190 21.382 21.806 84.969 1.00 14.84 C ATOM 877 O LYS A 190 21.855 20.876 85.620 1.00 15.89 O ATOM 878 CB LYS A 190 20.056 21.269 82.895 1.00 16.10 C ATOM 879 CG LYS A 190 18.691 20.701 82.445 1.00 17.96 C ATOM 880 CD LYS A 190 18.701 20.333 80.974 1.00 21.82 C ATOM 881 CE LYS A 190 17.597 19.312 80.701 1.00 26.83 C ATOM 882 NZ LYS A 190 17.526 18.979 79.260 1.00 31.42 N ATOM 883 HZ1 LYS A 190 17.325 19.842 78.716 1.00 0.00 H ATOM 884 HZ2 LYS A 190 18.435 18.578 78.953 1.00 0.00 H ATOM 885 HZ3 LYS A 190 16.768 18.284 79.103 1.00 0.00 H ATOM 886 H LYS A 190 18.898 23.423 83.631 1.00 0.00 H ATOM 887 N ALA A 191 22.026 22.951 84.779 1.00 14.95 N ATOM 888 CA ALA A 191 23.346 23.164 85.381 1.00 15.71 C ATOM 889 C ALA A 191 23.251 23.150 86.898 1.00 15.75 C ATOM 890 O ALA A 191 24.144 22.637 87.576 1.00 16.90 O ATOM 891 CB ALA A 191 23.914 24.504 84.902 1.00 17.94 C ATOM 892 H ALA A 191 21.593 23.700 84.201 1.00 0.00 H ATOM 893 N LEU A 192 22.168 23.689 87.448 1.00 15.69 N ATOM 894 CA LEU A 192 21.973 23.676 88.899 1.00 16.17 C ATOM 895 C LEU A 192 21.796 22.260 89.403 1.00 16.68 C ATOM 896 O LEU A 192 22.481 21.840 90.344 1.00 17.56 O ATOM 897 CB LEU A 192 20.782 24.548 89.290 1.00 17.28 C ATOM 898 CG LEU A 192 20.657 24.783 90.794 1.00 19.45 C ATOM 899 CD1 LEU A 192 21.931 25.282 91.438 1.00 23.47 C ATOM 900 CD2 LEU A 192 19.567 25.788 91.003 1.00 20.09 C ATOM 901 H LEU A 192 21.448 24.127 86.838 1.00 0.00 H ATOM 902 N LEU A 193 20.989 21.449 88.706 1.00 15.87 N ATOM 903 CA LEU A 193 20.850 20.064 89.116 1.00 15.79 C ATOM 904 C LEU A 193 22.161 19.321 89.003 1.00 16.00 C ATOM 905 O LEU A 193 22.496 18.522 89.888 1.00 17.26 O ATOM 906 CB LEU A 193 19.783 19.383 88.282 1.00 15.46 C ATOM 907 CG LEU A 193 18.374 20.005 88.434 1.00 16.28 C ATOM 908 CD1 LEU A 193 17.420 19.301 87.484 1.00 16.80 C ATOM 909 CD2 LEU A 193 17.851 19.907 89.859 1.00 17.45 C ATOM 910 H LEU A 193 20.468 21.808 87.881 1.00 0.00 H ATOM 911 N ARG A 194 22.945 19.593 87.947 1.00 16.21 N ATOM 912 CA ARG A 194 24.260 18.980 87.817 1.00 16.80 C ATOM 913 C ARG A 194 25.142 19.331 89.011 1.00 17.55 C ATOM 914 O ARG A 194 25.881 18.481 89.533 1.00 18.33 O ATOM 915 CB ARG A 194 24.908 19.410 86.495 1.00 19.11 C ATOM 916 CG ARG A 194 26.253 18.702 86.231 1.00 23.62 C ATOM 917 CD ARG A 194 26.873 19.171 84.883 1.00 31.22 C ATOM 918 NE ARG A 194 26.020 18.878 83.727 1.00 40.04 N ATOM 919 CZ ARG A 194 25.880 17.672 83.176 1.00 48.27 C ATOM 920 NH1 ARG A 194 26.504 16.621 83.698 1.00 51.32 N ATOM 921 NH2 ARG A 194 25.101 17.512 82.105 1.00 51.01 N ATOM 922 HE ARG A 194 25.487 19.666 83.307 1.00 0.00 H ATOM 923 HH12 ARG A 194 26.392 15.682 83.265 1.00 0.00 H ATOM 924 HH11 ARG A 194 27.104 16.738 84.539 1.00 0.00 H ATOM 925 HH22 ARG A 194 24.993 16.571 81.677 1.00 0.00 H ATOM 926 HH21 ARG A 194 24.602 18.329 81.698 1.00 0.00 H ATOM 927 H ARG A 194 22.609 20.249 87.213 1.00 0.00 H ATOM 928 N SER A 195 25.088 20.581 89.466 1.00 19.39 N ATOM 929 CA SER A 195 25.939 21.011 90.561 1.00 21.95 C ATOM 930 C SER A 195 25.571 20.332 91.867 1.00 23.83 C ATOM 931 O SER A 195 26.404 20.286 92.768 1.00 25.86 O ATOM 932 CB SER A 195 25.859 22.530 90.688 1.00 24.41 C ATOM 933 OG SER A 195 24.696 22.940 91.404 1.00 26.29 O ATOM 934 HG SER A 195 23.888 22.624 90.927 1.00 0.00 H ATOM 935 H SER A 195 24.428 21.258 89.032 1.00 0.00 H ATOM 936 N LEU A 196 24.349 19.824 92.000 1.00 24.77 N ATOM 937 CA LEU A 196 23.927 19.040 93.161 1.00 26.60 C ATOM 938 C LEU A 196 24.408 17.606 93.089 1.00 25.28 C ATOM 939 O LEU A 196 24.308 16.874 94.084 1.00 27.69 O ATOM 940 CB LEU A 196 22.401 18.984 93.241 1.00 30.94 C ATOM 941 CG LEU A 196 21.727 20.326 93.323 1.00 33.57 C ATOM 942 CD1 LEU A 196 20.239 20.062 93.392 1.00 34.69 C ATOM 943 CD2 LEU A 196 22.182 21.127 94.520 1.00 35.42 C ATOM 944 H LEU A 196 23.659 19.993 91.241 1.00 0.00 H ATOM 945 N GLY A 197 24.968 17.215 91.973 1.00 21.59 N ATOM 946 CA GLY A 197 25.427 15.876 91.757 1.00 20.70 C ATOM 947 C GLY A 197 24.417 15.002 91.064 1.00 19.75 C ATOM 948 O GLY A 197 24.697 13.816 90.877 1.00 20.42 O ATOM 949 H GLY A 197 25.085 17.909 91.207 1.00 0.00 H ATOM 950 N SER A 198 23.262 15.547 90.657 1.00 18.94 N ATOM 951 CA SER A 198 22.269 14.720 89.986 1.00 18.09 C ATOM 952 C SER A 198 22.823 14.262 88.650 1.00 18.19 C ATOM 953 O SER A 198 23.391 15.054 87.903 1.00 18.45 O ATOM 954 CB SER A 198 20.982 15.514 89.765 1.00 16.90 C ATOM 955 OG SER A 198 20.073 14.764 88.986 1.00 17.02 O ATOM 956 HG SER A 198 19.857 13.920 89.455 1.00 0.00 H ATOM 957 H SER A 198 23.076 16.557 90.820 1.00 0.00 H ATOM 958 N GLN A 199 22.670 12.978 88.365 1.00 18.62 N ATOM 959 CA GLN A 199 23.094 12.450 87.084 1.00 22.69 C ATOM 960 C GLN A 199 21.984 12.465 86.054 1.00 22.08 C ATOM 961 O GLN A 199 22.241 12.661 84.850 1.00 25.35 O ATOM 962 CB GLN A 199 23.557 11.004 87.251 1.00 29.45 C ATOM 963 CG GLN A 199 24.675 10.817 88.264 1.00 38.94 C ATOM 964 CD GLN A 199 25.923 11.553 87.886 1.00 47.21 C ATOM 965 OE1 GLN A 199 26.303 12.534 88.539 1.00 50.50 O ATOM 966 NE2 GLN A 199 26.592 11.081 86.837 1.00 49.57 N ATOM 967 HE22 GLN A 199 26.232 10.253 86.320 1.00 0.00 H ATOM 968 HE21 GLN A 199 27.475 11.540 86.534 1.00 0.00 H ATOM 969 H GLN A 199 22.241 12.342 89.068 1.00 0.00 H ATOM 970 N ALA A 200 20.757 12.247 86.491 1.00 19.43 N ATOM 971 CA ALA A 200 19.626 12.177 85.575 1.00 19.14 C ATOM 972 C ALA A 200 18.958 13.513 85.364 1.00 19.15 C ATOM 973 O ALA A 200 18.423 13.768 84.281 1.00 20.05 O ATOM 974 CB ALA A 200 18.625 11.178 86.151 1.00 19.05 C ATOM 975 H ALA A 200 20.595 12.123 87.511 1.00 0.00 H ATOM 976 N GLY A 201 18.917 14.377 86.381 1.00 18.26 N ATOM 977 CA GLY A 201 18.262 15.664 86.255 1.00 18.15 C ATOM 978 C GLY A 201 18.760 16.478 85.089 1.00 17.78 C ATOM 979 O GLY A 201 17.979 16.990 84.294 1.00 17.59 O ATOM 980 H GLY A 201 19.365 14.121 87.284 1.00 0.00 H ATOM 981 N PRO A 202 20.083 16.613 84.932 1.00 17.33 N ATOM 982 CA PRO A 202 20.598 17.408 83.812 1.00 18.11 C ATOM 983 C PRO A 202 20.323 16.803 82.475 1.00 19.28 C ATOM 984 O PRO A 202 20.420 17.514 81.471 1.00 22.47 O ATOM 985 CB PRO A 202 22.111 17.493 84.084 1.00 18.12 C ATOM 986 CG PRO A 202 22.278 17.148 85.501 1.00 18.77 C ATOM 987 CD PRO A 202 21.154 16.253 85.878 1.00 17.90 C ATOM 988 N ALA A 203 19.970 15.525 82.422 1.00 18.95 N ATOM 989 CA ALA A 203 19.672 14.802 81.190 1.00 19.71 C ATOM 990 C ALA A 203 18.180 14.548 81.000 1.00 17.89 C ATOM 991 O ALA A 203 17.786 13.834 80.064 1.00 19.08 O ATOM 992 CB ALA A 203 20.427 13.475 81.221 1.00 22.18 C ATOM 993 H ALA A 203 19.901 15.003 83.319 1.00 0.00 H ATOM 994 N LEU A 204 17.332 15.097 81.867 1.00 16.15 N ATOM 995 CA LEU A 204 15.915 14.735 81.856 1.00 14.73 C ATOM 996 C LEU A 204 15.314 15.018 80.498 1.00 14.72 C ATOM 997 O LEU A 204 15.476 16.108 79.936 1.00 15.90 O ATOM 998 CB LEU A 204 15.163 15.556 82.919 1.00 14.94 C ATOM 999 CG LEU A 204 13.786 15.002 83.218 1.00 15.10 C ATOM 1000 CD1 LEU A 204 13.859 13.689 84.030 1.00 16.43 C ATOM 1001 CD2 LEU A 204 12.964 16.065 83.978 1.00 15.83 C ATOM 1002 H LEU A 204 17.681 15.790 82.559 1.00 0.00 H ATOM 1003 N GLY A 205 14.604 14.026 79.978 1.00 14.37 N ATOM 1004 CA GLY A 205 13.978 14.132 78.687 1.00 14.87 C ATOM 1005 C GLY A 205 12.484 13.910 78.745 1.00 13.68 C ATOM 1006 O GLY A 205 11.875 13.775 79.815 1.00 13.93 O ATOM 1007 H GLY A 205 14.496 13.145 80.520 1.00 0.00 H ATOM 1008 N TRP A 206 11.906 13.905 77.550 1.00 13.85 N ATOM 1009 CA TRP A 206 10.463 13.960 77.374 1.00 13.95 C ATOM 1010 C TRP A 206 9.758 12.817 78.083 1.00 13.97 C ATOM 1011 O TRP A 206 9.943 11.647 77.728 1.00 14.95 O ATOM 1012 CB TRP A 206 10.161 13.843 75.873 1.00 14.85 C ATOM 1013 CG TRP A 206 8.699 13.816 75.530 1.00 15.31 C ATOM 1014 CD1 TRP A 206 7.990 12.741 75.057 1.00 16.53 C ATOM 1015 CD2 TRP A 206 7.777 14.913 75.592 1.00 15.69 C ATOM 1016 NE1 TRP A 206 6.672 13.113 74.811 1.00 16.74 N ATOM 1017 CE2 TRP A 206 6.521 14.440 75.131 1.00 16.42 C ATOM 1018 CE3 TRP A 206 7.896 16.253 75.984 1.00 16.54 C ATOM 1019 CZ2 TRP A 206 5.388 15.264 75.054 1.00 16.60 C ATOM 1020 CZ3 TRP A 206 6.774 17.092 75.868 1.00 16.44 C ATOM 1021 CH2 TRP A 206 5.516 16.578 75.406 1.00 16.90 C ATOM 1022 HE1 TRP A 206 5.925 12.489 74.445 1.00 0.00 H ATOM 1023 H TRP A 206 12.510 13.860 76.704 1.00 0.00 H ATOM 1024 N ARG A 207 8.888 13.167 79.045 1.00 13.65 N ATOM 1025 CA ARG A 207 8.071 12.179 79.786 1.00 13.52 C ATOM 1026 C ARG A 207 8.917 11.152 80.549 1.00 13.57 C ATOM 1027 O ARG A 207 8.401 10.109 80.969 1.00 15.11 O ATOM 1028 CB ARG A 207 7.006 11.497 78.919 1.00 14.45 C ATOM 1029 CG ARG A 207 5.978 12.460 78.374 1.00 14.87 C ATOM 1030 CD ARG A 207 5.004 11.744 77.497 1.00 16.98 C ATOM 1031 NE ARG A 207 3.872 12.586 77.187 1.00 17.81 N ATOM 1032 CZ ARG A 207 2.847 12.171 76.440 1.00 19.65 C ATOM 1033 NH1 ARG A 207 1.817 12.983 76.261 1.00 20.49 N ATOM 1034 NH2 ARG A 207 2.850 10.928 75.937 1.00 21.50 N ATOM 1035 HE ARG A 207 3.855 13.556 77.562 1.00 0.00 H ATOM 1036 HH12 ARG A 207 1.009 12.678 75.682 1.00 0.00 H ATOM 1037 HH11 ARG A 207 1.816 13.926 76.699 1.00 0.00 H ATOM 1038 HH22 ARG A 207 2.053 10.601 75.354 1.00 0.00 H ATOM 1039 HH21 ARG A 207 3.649 10.291 76.129 1.00 0.00 H ATOM 1040 H ARG A 207 8.784 14.175 79.279 1.00 0.00 H ATOM 1041 N ASP A 208 10.191 11.441 80.798 1.00 13.54 N ATOM 1042 CA ASP A 208 10.995 10.610 81.676 1.00 13.86 C ATOM 1043 C ASP A 208 10.490 10.717 83.106 1.00 13.36 C ATOM 1044 O ASP A 208 9.998 11.775 83.535 1.00 14.48 O ATOM 1045 CB ASP A 208 12.444 11.076 81.698 1.00 14.25 C ATOM 1046 CG ASP A 208 13.193 10.870 80.410 1.00 16.01 C ATOM 1047 OD1 ASP A 208 12.665 10.325 79.424 1.00 17.93 O ATOM 1048 OD2 ASP A 208 14.383 11.263 80.447 1.00 17.36 O ATOM 1049 H ASP A 208 10.620 12.279 80.355 1.00 0.00 H ATOM 1050 N THR A 209 10.615 9.609 83.848 1.00 12.93 N ATOM 1051 CA THR A 209 10.382 9.629 85.289 1.00 12.67 C ATOM 1052 C THR A 209 11.720 9.758 86.006 1.00 12.27 C ATOM 1053 O THR A 209 12.761 9.373 85.472 1.00 13.91 O ATOM 1054 CB THR A 209 9.645 8.362 85.719 1.00 14.37 C ATOM 1055 OG1 THR A 209 10.423 7.258 85.249 1.00 15.86 O ATOM 1056 CG2 THR A 209 8.207 8.352 85.129 1.00 15.87 C ATOM 1057 HG1 THR A 209 9.981 6.411 85.507 1.00 0.00 H ATOM 1058 H THR A 209 10.884 8.716 83.388 1.00 0.00 H ATOM 1059 N TRP A 210 11.688 10.378 87.183 1.00 12.39 N ATOM 1060 CA TRP A 210 12.910 10.761 87.871 1.00 12.09 C ATOM 1061 C TRP A 210 12.570 10.936 89.338 1.00 12.30 C ATOM 1062 O TRP A 210 11.660 11.689 89.679 1.00 12.92 O ATOM 1063 CB TRP A 210 13.489 12.070 87.288 1.00 13.49 C ATOM 1064 CG TRP A 210 14.705 12.577 87.989 1.00 13.57 C ATOM 1065 CD1 TRP A 210 15.810 11.877 88.361 1.00 14.24 C ATOM 1066 CD2 TRP A 210 14.915 13.917 88.416 1.00 13.56 C ATOM 1067 NE1 TRP A 210 16.703 12.715 88.980 1.00 15.02 N ATOM 1068 CE2 TRP A 210 16.174 13.970 89.032 1.00 13.66 C ATOM 1069 CE3 TRP A 210 14.161 15.079 88.340 1.00 14.97 C ATOM 1070 CZ2 TRP A 210 16.681 15.123 89.606 1.00 14.25 C ATOM 1071 CZ3 TRP A 210 14.676 16.258 88.902 1.00 15.50 C ATOM 1072 CH2 TRP A 210 15.911 16.260 89.532 1.00 15.29 C ATOM 1073 HE1 TRP A 210 17.634 12.437 89.350 1.00 0.00 H ATOM 1074 H TRP A 210 10.769 10.593 87.620 1.00 0.00 H ATOM 1075 N ALA A 211 13.354 10.299 90.201 1.00 12.69 N ATOM 1076 CA ALA A 211 13.308 10.447 91.658 1.00 12.87 C ATOM 1077 C ALA A 211 14.712 10.701 92.169 1.00 13.12 C ATOM 1078 O ALA A 211 15.647 10.020 91.759 1.00 13.99 O ATOM 1079 CB ALA A 211 12.732 9.167 92.295 1.00 14.89 C ATOM 1080 H ALA A 211 14.058 9.641 89.810 1.00 0.00 H ATOM 1081 N PHE A 212 14.851 11.658 93.062 1.00 13.80 N ATOM 1082 CA PHE A 212 16.161 12.099 93.519 1.00 13.60 C ATOM 1083 C PHE A 212 16.092 12.445 94.998 1.00 13.44 C ATOM 1084 O PHE A 212 15.141 13.111 95.436 1.00 14.07 O ATOM 1085 CB PHE A 212 16.528 13.370 92.737 1.00 15.05 C ATOM 1086 CG PHE A 212 17.768 14.051 93.232 1.00 15.67 C ATOM 1087 CD1 PHE A 212 19.018 13.706 92.728 1.00 17.32 C ATOM 1088 CD2 PHE A 212 17.692 15.021 94.214 1.00 17.19 C ATOM 1089 CE1 PHE A 212 20.153 14.318 93.197 1.00 18.62 C ATOM 1090 CE2 PHE A 212 18.832 15.658 94.686 1.00 18.31 C ATOM 1091 CZ PHE A 212 20.069 15.309 94.172 1.00 19.00 C ATOM 1092 H PHE A 212 14.001 12.112 93.452 1.00 0.00 H ATOM 1093 N VAL A 213 17.106 12.017 95.755 1.00 13.35 N ATOM 1094 CA VAL A 213 17.259 12.409 97.144 1.00 13.75 C ATOM 1095 C VAL A 213 18.739 12.726 97.353 1.00 13.05 C ATOM 1096 O VAL A 213 19.601 11.873 97.116 1.00 14.32 O ATOM 1097 CB VAL A 213 16.861 11.271 98.098 1.00 16.17 C ATOM 1098 CG1 VAL A 213 17.006 11.777 99.526 1.00 16.77 C ATOM 1099 CG2 VAL A 213 15.451 10.738 97.827 1.00 17.62 C ATOM 1100 H VAL A 213 17.812 11.380 95.334 1.00 0.00 H ATOM 1101 N GLY A 214 19.048 13.916 97.832 1.00 14.14 N ATOM 1102 CA GLY A 214 20.437 14.280 98.051 1.00 15.10 C ATOM 1103 C GLY A 214 20.580 15.400 99.048 1.00 17.18 C ATOM 1104 O GLY A 214 19.620 16.063 99.385 1.00 18.80 O ATOM 1105 H GLY A 214 18.293 14.597 98.054 1.00 0.00 H ATOM 1106 N ARG A 215 21.788 15.577 99.578 1.00 16.98 N ATOM 1107 CA ARG A 215 22.059 16.785 100.369 1.00 17.48 C ATOM 1108 C ARG A 215 22.274 17.957 99.419 1.00 19.17 C ATOM 1109 O ARG A 215 22.941 17.792 98.395 1.00 21.91 O ATOM 1110 CB ARG A 215 23.286 16.534 101.246 1.00 18.46 C ATOM 1111 CG ARG A 215 23.715 17.715 102.039 1.00 19.68 C ATOM 1112 CD ARG A 215 24.817 17.320 103.014 1.00 22.27 C ATOM 1113 NE ARG A 215 25.341 18.483 103.728 1.00 25.23 N ATOM 1114 CZ ARG A 215 26.174 19.373 103.214 1.00 29.14 C ATOM 1115 NH1 ARG A 215 26.633 19.215 101.973 1.00 31.39 N ATOM 1116 NH2 ARG A 215 26.537 20.429 103.947 1.00 31.68 N ATOM 1117 HE ARG A 215 25.036 18.621 104.713 1.00 0.00 H ATOM 1118 HH12 ARG A 215 27.288 19.914 101.568 1.00 0.00 H ATOM 1119 HH11 ARG A 215 26.336 18.393 101.410 1.00 0.00 H ATOM 1120 HH22 ARG A 215 27.191 21.135 103.553 1.00 0.00 H ATOM 1121 HH21 ARG A 215 26.165 20.545 104.911 1.00 0.00 H ATOM 1122 H ARG A 215 22.534 14.866 99.433 1.00 0.00 H ATOM 1123 N LYS A 216 21.754 19.153 99.748 1.00 20.17 N ATOM 1124 CA LYS A 216 21.829 20.253 98.790 1.00 26.36 C ATOM 1125 C LYS A 216 23.258 20.526 98.404 1.00 30.52 C ATOM 1126 O LYS A 216 23.545 20.784 97.227 1.00 36.33 O ATOM 1127 CB LYS A 216 21.209 21.545 99.349 1.00 28.47 C ATOM 1128 CG LYS A 216 21.714 22.890 98.645 1.00 31.71 C ATOM 1129 CD LYS A 216 20.851 23.353 97.495 1.00 33.79 C ATOM 1130 CE LYS A 216 21.448 24.533 96.767 1.00 34.31 C ATOM 1131 NZ LYS A 216 21.231 25.867 97.404 1.00 33.51 N ATOM 1132 HZ1 LYS A 216 20.210 26.054 97.475 1.00 0.00 H ATOM 1133 HZ2 LYS A 216 21.652 25.868 98.355 1.00 0.00 H ATOM 1134 HZ3 LYS A 216 21.680 26.604 96.824 1.00 0.00 H ATOM 1135 H LYS A 216 21.303 19.293 100.675 1.00 0.00 H ATOM 1136 N GLY A 217 24.167 20.527 99.374 1.00 28.05 N ATOM 1137 CA GLY A 217 25.577 20.695 99.043 1.00 29.13 C ATOM 1138 C GLY A 217 26.358 19.426 98.696 1.00 30.04 C ATOM 1139 O GLY A 217 27.602 19.471 98.620 1.00 31.30 O ATOM 1140 H GLY A 217 23.874 20.408 100.365 1.00 0.00 H ATOM 1141 N GLY A 218 25.668 18.319 98.410 1.00 29.52 N ATOM 1142 CA GLY A 218 26.290 17.045 98.026 1.00 27.64 C ATOM 1143 C GLY A 218 26.555 16.262 99.279 1.00 25.86 C ATOM 1144 O GLY A 218 26.660 16.837 100.381 1.00 28.32 O ATOM 1145 H GLY A 218 24.630 18.361 98.462 1.00 0.00 H ATOM 1146 N PRO A 219 26.629 14.939 99.178 1.00 21.78 N ATOM 1147 CA PRO A 219 26.461 14.094 97.999 1.00 19.96 C ATOM 1148 C PRO A 219 25.011 13.721 97.741 1.00 17.71 C ATOM 1149 O PRO A 219 24.117 13.973 98.567 1.00 17.82 O ATOM 1150 CB PRO A 219 27.193 12.827 98.399 1.00 20.63 C ATOM 1151 CG PRO A 219 26.915 12.721 99.848 1.00 21.36 C ATOM 1152 CD PRO A 219 27.007 14.149 100.362 1.00 22.10 C ATOM 1153 N VAL A 220 24.795 13.066 96.593 1.00 17.90 N ATOM 1154 CA VAL A 220 23.508 12.452 96.293 1.00 17.70 C ATOM 1155 C VAL A 220 23.391 11.173 97.111 1.00 16.25 C ATOM 1156 O VAL A 220 24.360 10.420 97.253 1.00 18.36 O ATOM 1157 CB VAL A 220 23.415 12.140 94.790 1.00 19.04 C ATOM 1158 CG1 VAL A 220 22.085 11.398 94.472 1.00 20.61 C ATOM 1159 CG2 VAL A 220 23.580 13.404 93.994 1.00 20.36 C ATOM 1160 H VAL A 220 25.565 12.994 95.898 1.00 0.00 H ATOM 1161 N PHE A 221 22.220 10.927 97.662 1.00 15.11 N ATOM 1162 CA PHE A 221 21.963 9.733 98.434 1.00 14.93 C ATOM 1163 C PHE A 221 21.268 8.664 97.626 1.00 14.76 C ATOM 1164 O PHE A 221 21.569 7.500 97.810 1.00 17.25 O ATOM 1165 CB PHE A 221 21.152 10.037 99.690 1.00 15.42 C ATOM 1166 CG PHE A 221 21.804 11.028 100.605 1.00 16.24 C ATOM 1167 CD1 PHE A 221 23.100 10.858 101.076 1.00 16.85 C ATOM 1168 CD2 PHE A 221 21.117 12.146 101.006 1.00 16.84 C ATOM 1169 CE1 PHE A 221 23.681 11.760 101.918 1.00 17.76 C ATOM 1170 CE2 PHE A 221 21.712 13.053 101.885 1.00 17.54 C ATOM 1171 CZ PHE A 221 23.007 12.883 102.312 1.00 17.59 C ATOM 1172 H PHE A 221 21.452 11.617 97.537 1.00 0.00 H ATOM 1173 N GLY A 222 20.389 9.028 96.699 1.00 13.81 N ATOM 1174 CA GLY A 222 19.747 8.057 95.841 1.00 14.83 C ATOM 1175 C GLY A 222 19.176 8.749 94.628 1.00 14.20 C ATOM 1176 O GLY A 222 18.803 9.920 94.686 1.00 14.48 O ATOM 1177 H GLY A 222 20.157 10.036 96.588 1.00 0.00 H ATOM 1178 N GLU A 223 19.085 8.017 93.521 1.00 14.26 N ATOM 1179 CA GLU A 223 18.504 8.580 92.311 1.00 15.12 C ATOM 1180 C GLU A 223 18.071 7.441 91.419 1.00 15.35 C ATOM 1181 O GLU A 223 18.781 6.434 91.310 1.00 17.53 O ATOM 1182 CB GLU A 223 19.565 9.424 91.593 1.00 16.03 C ATOM 1183 CG GLU A 223 19.031 10.210 90.426 1.00 17.87 C ATOM 1184 CD GLU A 223 20.011 11.287 89.936 1.00 18.92 C ATOM 1185 OE1 GLU A 223 21.257 11.186 90.126 1.00 20.02 O ATOM 1186 OE2 GLU A 223 19.509 12.226 89.313 1.00 18.88 O ATOM 1187 H GLU A 223 19.431 7.036 93.520 1.00 0.00 H ATOM 1188 N LYS A 224 16.914 7.626 90.788 1.00 14.74 N ATOM 1189 CA LYS A 224 16.407 6.683 89.815 1.00 15.46 C ATOM 1190 C LYS A 224 15.826 7.454 88.652 1.00 15.39 C ATOM 1191 O LYS A 224 15.296 8.556 88.819 1.00 15.74 O ATOM 1192 CB LYS A 224 15.344 5.773 90.433 1.00 18.94 C ATOM 1193 CG LYS A 224 15.869 4.645 91.206 1.00 25.08 C ATOM 1194 CD LYS A 224 14.762 3.619 91.428 1.00 28.87 C ATOM 1195 CE LYS A 224 15.279 2.469 92.273 1.00 33.61 C ATOM 1196 NZ LYS A 224 14.266 1.399 92.347 1.00 36.19 N ATOM 1197 HZ1 LYS A 224 13.397 1.775 92.777 1.00 0.00 H ATOM 1198 HZ2 LYS A 224 14.059 1.053 91.389 1.00 0.00 H ATOM 1199 HZ3 LYS A 224 14.631 0.617 92.928 1.00 0.00 H ATOM 1200 H LYS A 224 16.356 8.477 91.001 1.00 0.00 H ATOM 1201 N HIS A 225 15.882 6.835 87.478 1.00 15.76 N ATOM 1202 CA HIS A 225 15.447 7.510 86.255 1.00 16.52 C ATOM 1203 C HIS A 225 14.984 6.461 85.261 1.00 16.91 C ATOM 1204 O HIS A 225 15.616 5.421 85.117 1.00 18.91 O ATOM 1205 CB HIS A 225 16.642 8.302 85.702 1.00 18.31 C ATOM 1206 CG HIS A 225 16.414 8.911 84.356 1.00 19.87 C ATOM 1207 ND1 HIS A 225 17.278 8.698 83.309 1.00 24.52 N ATOM 1208 CD2 HIS A 225 15.471 9.778 83.900 1.00 19.38 C ATOM 1209 CE1 HIS A 225 16.861 9.390 82.259 1.00 24.88 C ATOM 1210 NE2 HIS A 225 15.778 10.065 82.594 1.00 20.68 N ATOM 1211 H HIS A 225 16.239 5.860 87.428 1.00 0.00 H ATOM 1212 N SER A 226 13.884 6.733 84.583 1.00 14.98 N ATOM 1213 CA SER A 226 13.470 5.886 83.483 1.00 16.12 C ATOM 1214 C SER A 226 13.180 6.750 82.278 1.00 16.30 C ATOM 1215 O SER A 226 12.368 7.665 82.350 1.00 16.02 O ATOM 1216 CB SER A 226 12.243 5.039 83.809 1.00 17.41 C ATOM 1217 OG SER A 226 11.840 4.247 82.720 1.00 20.37 O ATOM 1218 HG SER A 226 12.577 3.637 82.467 1.00 0.00 H ATOM 1219 H SER A 226 13.311 7.561 84.841 1.00 0.00 H ATOM 1220 N LYS A 227 13.806 6.404 81.161 1.00 17.60 N ATOM 1221 CA LYS A 227 13.620 7.150 79.922 1.00 20.90 C ATOM 1222 C LYS A 227 12.331 6.711 79.259 1.00 20.73 C ATOM 1223 O LYS A 227 12.079 5.515 79.123 1.00 22.03 O ATOM 1224 CB LYS A 227 14.772 6.851 78.981 1.00 26.55 C ATOM 1225 CG LYS A 227 15.967 7.650 79.330 1.00 35.52 C ATOM 1226 CD LYS A 227 17.086 7.393 78.344 1.00 44.52 C ATOM 1227 CE LYS A 227 16.633 7.588 76.885 1.00 52.46 C ATOM 1228 NZ LYS A 227 16.701 8.963 76.257 1.00 56.67 N ATOM 1229 HZ1 LYS A 227 16.105 9.620 76.799 1.00 0.00 H ATOM 1230 HZ2 LYS A 227 17.685 9.298 76.266 1.00 0.00 H ATOM 1231 HZ3 LYS A 227 16.359 8.912 75.276 1.00 0.00 H ATOM 1232 H LYS A 227 14.444 5.582 81.169 1.00 0.00 H ATOM 1233 N SER A 228 11.555 7.654 78.773 1.00 19.74 N ATOM 1234 CA SER A 228 10.383 7.294 77.968 1.00 20.08 C ATOM 1235 C SER A 228 10.837 6.619 76.680 1.00 21.37 C ATOM 1236 O SER A 228 11.758 7.115 76.027 1.00 22.76 O ATOM 1237 CB SER A 228 9.550 8.530 77.617 1.00 20.54 C ATOM 1238 OG SER A 228 8.633 8.204 76.583 1.00 23.21 O ATOM 1239 HG SER A 228 8.095 9.004 76.357 1.00 0.00 H ATOM 1240 H SER A 228 11.772 8.654 78.959 1.00 0.00 H ATOM 1241 N PRO A 229 10.218 5.500 76.284 1.00 22.92 N ATOM 1242 CA PRO A 229 10.633 4.794 75.067 1.00 25.32 C ATOM 1243 C PRO A 229 10.027 5.326 73.785 1.00 26.92 C ATOM 1244 O PRO A 229 10.443 4.870 72.716 1.00 29.91 O ATOM 1245 CB PRO A 229 10.124 3.378 75.326 1.00 25.47 C ATOM 1246 CG PRO A 229 8.879 3.596 76.134 1.00 24.95 C ATOM 1247 CD PRO A 229 9.156 4.785 77.021 1.00 23.35 C ATOM 1248 N ALA A 230 9.080 6.262 73.834 1.00 24.90 N ATOM 1249 CA ALA A 230 8.441 6.753 72.616 1.00 23.66 C ATOM 1250 C ALA A 230 7.738 8.048 72.971 1.00 22.00 C ATOM 1251 O ALA A 230 7.390 8.262 74.133 1.00 22.01 O ATOM 1252 CB ALA A 230 7.430 5.741 72.067 1.00 25.07 C ATOM 1253 H ALA A 230 8.791 6.649 74.755 1.00 0.00 H ATOM 1254 N LEU A 231 7.503 8.897 71.963 1.00 20.86 N ATOM 1255 CA LEU A 231 6.868 10.188 72.228 1.00 21.62 C ATOM 1256 C LEU A 231 5.501 10.036 72.861 1.00 22.54 C ATOM 1257 O LEU A 231 5.081 10.901 73.641 1.00 21.43 O ATOM 1258 CB LEU A 231 6.766 11.047 70.955 1.00 22.52 C ATOM 1259 CG LEU A 231 8.130 11.504 70.426 1.00 24.47 C ATOM 1260 CD1 LEU A 231 7.956 12.287 69.124 1.00 25.74 C ATOM 1261 CD2 LEU A 231 8.900 12.329 71.504 1.00 25.44 C ATOM 1262 H LEU A 231 7.772 8.639 70.992 1.00 0.00 H ATOM 1263 N SER A 232 4.800 8.949 72.548 1.00 24.02 N ATOM 1264 CA SER A 232 3.468 8.720 73.083 1.00 27.11 C ATOM 1265 C SER A 232 3.488 7.962 74.399 1.00 27.88 C ATOM 1266 O SER A 232 2.413 7.641 74.925 1.00 29.58 O ATOM 1267 CB SER A 232 2.646 7.914 72.074 1.00 29.95 C ATOM 1268 OG SER A 232 3.359 6.745 71.695 1.00 32.75 O ATOM 1269 HG SER A 232 3.530 6.190 72.497 1.00 0.00 H ATOM 1270 H SER A 232 5.216 8.246 71.904 1.00 0.00 H ATOM 1271 N SER A 233 4.668 7.630 74.917 1.00 25.70 N ATOM 1272 CA SER A 233 4.803 6.848 76.138 1.00 24.78 C ATOM 1273 C SER A 233 5.441 7.680 77.239 1.00 20.86 C ATOM 1274 O SER A 233 5.960 8.771 76.999 1.00 21.36 O ATOM 1275 CB SER A 233 5.696 5.643 75.849 1.00 27.68 C ATOM 1276 OG SER A 233 5.083 4.789 74.900 1.00 31.50 O ATOM 1277 HG SER A 233 4.932 5.288 74.058 1.00 0.00 H ATOM 1278 H SER A 233 5.531 7.943 74.429 1.00 0.00 H ATOM 1279 N TRP A 234 5.436 7.116 78.432 1.00 18.21 N ATOM 1280 CA TRP A 234 6.120 7.675 79.586 1.00 17.94 C ATOM 1281 C TRP A 234 7.223 6.736 80.057 1.00 18.40 C ATOM 1282 O TRP A 234 7.184 5.534 79.803 1.00 19.40 O ATOM 1283 CB TRP A 234 5.141 7.951 80.743 1.00 17.81 C ATOM 1284 CG TRP A 234 4.284 9.166 80.557 1.00 17.55 C ATOM 1285 CD1 TRP A 234 4.490 10.393 81.145 1.00 17.53 C ATOM 1286 CD2 TRP A 234 3.092 9.297 79.759 1.00 18.70 C ATOM 1287 NE1 TRP A 234 3.527 11.282 80.755 1.00 17.38 N ATOM 1288 CE2 TRP A 234 2.646 10.639 79.922 1.00 18.35 C ATOM 1289 CE3 TRP A 234 2.355 8.430 78.934 1.00 20.33 C ATOM 1290 CZ2 TRP A 234 1.529 11.140 79.276 1.00 20.23 C ATOM 1291 CZ3 TRP A 234 1.216 8.947 78.302 1.00 21.58 C ATOM 1292 CH2 TRP A 234 0.804 10.278 78.511 1.00 21.65 C ATOM 1293 HE1 TRP A 234 3.471 12.280 81.042 1.00 0.00 H ATOM 1294 H TRP A 234 4.915 6.224 78.553 1.00 0.00 H ATOM 1295 N GLY A 235 8.190 7.275 80.803 1.00 17.12 N ATOM 1296 CA GLY A 235 9.097 6.396 81.514 1.00 17.51 C ATOM 1297 C GLY A 235 8.360 5.462 82.457 1.00 17.96 C ATOM 1298 O GLY A 235 7.233 5.728 82.877 1.00 17.60 O ATOM 1299 H GLY A 235 8.291 8.308 80.873 1.00 0.00 H ATOM 1300 N ASP A 236 8.995 4.350 82.797 1.00 19.00 N ATOM 1301 CA ASP A 236 8.385 3.404 83.735 1.00 22.10 C ATOM 1302 C ASP A 236 8.262 4.095 85.093 1.00 19.03 C ATOM 1303 O ASP A 236 9.132 4.868 85.475 1.00 18.13 O ATOM 1304 CB ASP A 236 9.329 2.218 83.969 1.00 30.37 C ATOM 1305 CG ASP A 236 9.658 1.431 82.714 1.00 40.17 C ATOM 1306 OD1 ASP A 236 8.856 1.465 81.753 1.00 46.01 O ATOM 1307 OD2 ASP A 236 10.705 0.721 82.736 1.00 41.78 O ATOM 1308 H ASP A 236 9.933 4.147 82.395 1.00 0.00 H ATOM 1309 N PRO A 237 7.239 3.786 85.876 1.00 17.73 N ATOM 1310 CA PRO A 237 7.220 4.312 87.255 1.00 17.99 C ATOM 1311 C PRO A 237 8.494 3.914 87.992 1.00 17.86 C ATOM 1312 O PRO A 237 8.998 2.801 87.828 1.00 19.60 O ATOM 1313 CB PRO A 237 5.997 3.632 87.870 1.00 18.70 C ATOM 1314 CG PRO A 237 5.094 3.386 86.673 1.00 19.77 C ATOM 1315 CD PRO A 237 6.027 2.996 85.544 1.00 18.69 C ATOM 1316 N VAL A 238 9.050 4.845 88.758 1.00 16.94 N ATOM 1317 CA VAL A 238 10.223 4.556 89.563 1.00 16.92 C ATOM 1318 C VAL A 238 9.902 4.784 91.019 1.00 16.01 C ATOM 1319 O VAL A 238 9.328 5.805 91.396 1.00 15.37 O ATOM 1320 CB VAL A 238 11.536 5.253 89.134 1.00 19.18 C ATOM 1321 CG1 VAL A 238 12.036 4.745 87.746 1.00 20.78 C ATOM 1322 CG2 VAL A 238 11.376 6.689 89.102 1.00 19.45 C ATOM 1323 H VAL A 238 8.637 5.799 88.782 1.00 0.00 H ATOM 1324 N LEU A 239 10.292 3.834 91.837 1.00 16.36 N ATOM 1325 CA LEU A 239 10.159 3.925 93.294 1.00 16.32 C ATOM 1326 C LEU A 239 11.560 3.824 93.876 1.00 16.43 C ATOM 1327 O LEU A 239 12.183 2.758 93.830 1.00 18.33 O ATOM 1328 CB LEU A 239 9.257 2.809 93.834 1.00 17.81 C ATOM 1329 CG LEU A 239 9.030 2.812 95.352 1.00 19.91 C ATOM 1330 CD1 LEU A 239 8.485 4.134 95.898 1.00 21.08 C ATOM 1331 CD2 LEU A 239 8.104 1.659 95.729 1.00 21.83 C ATOM 1332 H LEU A 239 10.716 2.975 91.432 1.00 0.00 H ATOM 1333 N LEU A 240 12.054 4.940 94.375 1.00 15.09 N ATOM 1334 CA LEU A 240 13.368 5.023 94.983 1.00 15.75 C ATOM 1335 C LEU A 240 13.224 4.910 96.502 1.00 15.25 C ATOM 1336 O LEU A 240 12.433 5.648 97.117 1.00 16.45 O ATOM 1337 CB LEU A 240 13.972 6.382 94.626 1.00 16.46 C ATOM 1338 CG LEU A 240 15.295 6.735 95.296 1.00 16.38 C ATOM 1339 CD1 LEU A 240 16.442 5.824 94.876 1.00 17.86 C ATOM 1340 CD2 LEU A 240 15.664 8.171 94.984 1.00 16.58 C ATOM 1341 H LEU A 240 11.474 5.802 94.330 1.00 0.00 H ATOM 1342 N LYS A 241 13.994 4.005 97.104 1.00 16.98 N ATOM 1343 CA LYS A 241 14.001 3.837 98.552 1.00 19.70 C ATOM 1344 C LYS A 241 15.420 4.081 99.022 1.00 19.75 C ATOM 1345 O LYS A 241 16.347 3.383 98.586 1.00 23.25 O ATOM 1346 CB LYS A 241 13.537 2.440 98.960 1.00 25.11 C ATOM 1347 CG LYS A 241 12.125 2.162 98.575 1.00 31.04 C ATOM 1348 CD LYS A 241 11.739 0.696 98.851 1.00 36.75 C ATOM 1349 CE LYS A 241 10.371 0.349 98.260 1.00 40.35 C ATOM 1350 NZ LYS A 241 10.241 -1.104 97.902 1.00 42.02 N ATOM 1351 HZ1 LYS A 241 10.964 -1.352 97.197 1.00 0.00 H ATOM 1352 HZ2 LYS A 241 10.374 -1.683 98.755 1.00 0.00 H ATOM 1353 HZ3 LYS A 241 9.295 -1.279 97.507 1.00 0.00 H ATOM 1354 H LYS A 241 14.609 3.400 96.523 1.00 0.00 H ATOM 1355 N THR A 242 15.599 5.104 99.860 1.00 18.74 N ATOM 1356 CA THR A 242 16.942 5.555 100.223 1.00 20.73 C ATOM 1357 C THR A 242 16.994 5.788 101.715 1.00 19.34 C ATOM 1358 O THR A 242 16.101 6.432 102.262 1.00 19.22 O ATOM 1359 CB THR A 242 17.258 6.912 99.526 1.00 25.24 C ATOM 1360 OG1 THR A 242 17.176 6.748 98.110 1.00 27.66 O ATOM 1361 CG2 THR A 242 18.616 7.456 99.892 1.00 27.17 C ATOM 1362 HG1 THR A 242 17.377 7.610 97.667 1.00 0.00 H ATOM 1363 H THR A 242 14.771 5.588 100.261 1.00 0.00 H ATOM 1364 N ASP A 243 18.101 5.362 102.330 1.00 19.48 N ATOM 1365 CA ASP A 243 18.386 5.709 103.721 1.00 20.60 C ATOM 1366 C ASP A 243 19.194 7.003 103.692 1.00 18.48 C ATOM 1367 O ASP A 243 20.259 7.063 103.065 1.00 21.26 O ATOM 1368 CB ASP A 243 19.153 4.571 104.422 1.00 26.32 C ATOM 1369 CG ASP A 243 18.257 3.343 104.666 1.00 34.12 C ATOM 1370 OD1 ASP A 243 17.019 3.530 104.752 1.00 36.80 O ATOM 1371 OD2 ASP A 243 18.783 2.217 104.790 1.00 39.09 O ATOM 1372 H ASP A 243 18.776 4.769 101.806 1.00 0.00 H ATOM 1373 N VAL A 244 18.726 8.016 104.396 1.00 15.38 N ATOM 1374 CA VAL A 244 19.344 9.342 104.370 1.00 14.65 C ATOM 1375 C VAL A 244 19.993 9.568 105.727 1.00 14.65 C ATOM 1376 O VAL A 244 19.315 9.446 106.753 1.00 15.03 O ATOM 1377 CB VAL A 244 18.278 10.422 104.080 1.00 16.01 C ATOM 1378 CG1 VAL A 244 18.942 11.801 104.273 1.00 17.34 C ATOM 1379 CG2 VAL A 244 17.730 10.239 102.673 1.00 17.34 C ATOM 1380 H VAL A 244 17.887 7.866 104.992 1.00 0.00 H ATOM 1381 N PRO A 245 21.297 9.883 105.796 1.00 14.60 N ATOM 1382 CA PRO A 245 21.929 10.146 107.109 1.00 15.39 C ATOM 1383 C PRO A 245 21.364 11.418 107.716 1.00 16.70 C ATOM 1384 O PRO A 245 21.117 12.397 107.017 1.00 19.51 O ATOM 1385 CB PRO A 245 23.403 10.332 106.751 1.00 16.80 C ATOM 1386 CG PRO A 245 23.381 10.808 105.319 1.00 17.32 C ATOM 1387 CD PRO A 245 22.220 10.118 104.663 1.00 15.77 C ATOM 1388 N LEU A 246 21.213 11.426 109.040 1.00 16.90 N ATOM 1389 CA LEU A 246 20.793 12.626 109.765 1.00 18.28 C ATOM 1390 C LEU A 246 21.982 13.231 110.484 1.00 19.61 C ATOM 1391 O LEU A 246 22.869 12.508 110.950 1.00 21.94 O ATOM 1392 CB LEU A 246 19.698 12.347 110.800 1.00 20.17 C ATOM 1393 CG LEU A 246 18.354 11.996 110.169 1.00 21.31 C ATOM 1394 CD1 LEU A 246 17.359 11.542 111.218 1.00 23.16 C ATOM 1395 CD2 LEU A 246 17.797 13.182 109.348 1.00 21.43 C ATOM 1396 H LEU A 246 21.399 10.553 109.574 1.00 0.00 H ATOM 1397 N SER A 247 21.989 14.553 110.591 1.00 20.14 N ATOM 1398 CA SER A 247 23.042 15.269 111.307 1.00 23.90 C ATOM 1399 C SER A 247 22.733 15.267 112.800 1.00 29.65 C ATOM 1400 O SER A 247 21.600 15.005 113.215 1.00 31.30 O ATOM 1401 CB SER A 247 23.110 16.698 110.790 1.00 26.92 C ATOM 1402 OG SER A 247 21.947 17.380 111.164 1.00 30.52 O ATOM 1403 HG SER A 247 21.159 16.923 110.776 1.00 0.00 H ATOM 1404 H SER A 247 21.220 15.098 110.151 1.00 0.00 H ATOM 1405 N SER A 248 23.752 15.542 113.616 1.00 34.87 N ATOM 1406 CA SER A 248 23.558 15.559 115.066 1.00 44.33 C ATOM 1407 C SER A 248 24.592 16.481 115.718 1.00 50.17 C ATOM 1408 O SER A 248 25.282 17.250 115.038 1.00 49.04 O ATOM 1409 CB SER A 248 23.588 14.140 115.632 1.00 48.08 C ATOM 1410 OG SER A 248 24.730 13.454 115.165 1.00 49.87 O ATOM 1411 HG SER A 248 24.705 13.409 114.176 1.00 0.00 H ATOM 1412 H SER A 248 24.691 15.746 113.218 1.00 0.00 H ATOM 1413 N ALA A 249 24.672 16.399 117.052 1.00 56.10 N ATOM 1414 CA ALA A 249 25.626 17.121 117.917 1.00 59.73 C ATOM 1415 C ALA A 249 25.162 18.528 118.258 1.00 65.66 C ATOM 1416 O ALA A 249 24.401 18.717 119.214 1.00 69.45 O ATOM 1417 CB ALA A 249 27.060 17.120 117.347 1.00 57.10 C ATOM 1418 H ALA A 249 23.996 15.765 117.525 1.00 0.00 H TER 1419 ALA A 249 HETATM 1420 O HOH 1 13.041 3.684 101.951 1.00 58.14 O HETATM 1421 O HOH 2 15.425 33.608 81.288 1.00 50.69 O HETATM 1422 O HOH 3 8.184 2.824 79.860 1.00 45.99 O HETATM 1423 O HOH 4 3.420 4.530 73.151 1.00 39.39 O HETATM 1424 O HOH 5 16.793 11.408 76.492 1.00 46.57 O HETATM 1425 O HOH 6 15.360 2.815 103.069 1.00 51.50 O HETATM 1426 O HOH 7 21.109 14.861 106.837 1.00 42.44 O HETATM 1427 O HOH 8 1.248 6.467 86.569 1.00 43.47 O HETATM 1428 O HOH 9 12.780 34.929 81.304 1.00 36.00 O HETATM 1429 O HOH 10 -2.938 11.656 87.794 1.00 59.07 O HETATM 1430 O HOH 11 22.417 16.007 118.138 1.00 59.95 O HETATM 1431 O HOH 12 -2.433 17.632 81.839 1.00 41.00 O HETATM 1432 O HOH 13 14.358 9.129 111.661 1.00 36.76 O HETATM 1433 O HOH 14 15.890 12.928 114.704 1.00 54.71 O HETATM 1434 O HOH 15 9.911 3.687 107.715 1.00 55.25 O HETATM 1435 O HOH 16 21.914 26.704 94.756 1.00 48.14 O HETATM 1436 O HOH 17 -0.497 16.556 83.618 1.00 31.18 O HETATM 1437 O HOH 18 -2.219 18.658 92.369 1.00 48.52 O HETATM 1438 O HOH 19 -2.939 5.945 93.692 1.00 61.03 O HETATM 1439 O HOH 20 6.813 8.545 110.687 1.00 50.58 O HETATM 1440 O HOH 21 16.825 27.183 83.220 1.00 24.02 O HETATM 1441 O HOH 22 19.622 17.537 78.549 1.00 40.83 O HETATM 1442 O HOH 23 5.199 26.642 90.636 1.00 47.51 O HETATM 1443 O HOH 24 23.891 13.906 83.200 1.00 50.36 O HETATM 1444 O HOH 25 4.146 29.288 82.356 1.00 41.64 O HETATM 1445 O HOH 26 11.489 28.809 81.008 1.00 21.94 O HETATM 1446 O HOH 27 -1.125 12.529 75.827 1.00 40.85 O HETATM 1447 O HOH 28 9.961 25.809 83.037 1.00 17.88 O HETATM 1448 O HOH 29 1.569 25.759 84.786 1.00 36.71 O HETATM 1449 O HOH 30 23.815 8.558 110.191 1.00 26.37 O HETATM 1450 O HOH 31 6.623 20.618 108.305 1.00 39.09 O HETATM 1451 O HOH 32 0.625 18.859 94.214 1.00 44.37 O HETATM 1452 O HOH 33 14.945 19.653 78.509 1.00 46.31 O HETATM 1453 O HOH 34 15.738 22.782 75.671 1.00 22.88 O HETATM 1454 O HOH 35 24.816 12.137 112.783 1.00 36.68 O HETATM 1455 O HOH 36 12.573 17.129 76.553 1.00 32.14 O HETATM 1456 O HOH 37 2.249 24.952 79.036 1.00 20.33 O HETATM 1457 O HOH 38 10.918 30.807 93.014 1.00 28.43 O HETATM 1458 O HOH 39 -2.341 16.136 96.550 1.00 33.58 O HETATM 1459 O HOH 40 26.542 12.256 92.139 1.00 33.73 O HETATM 1460 O HOH 41 11.122 1.154 87.346 1.00 38.80 O HETATM 1461 O HOH 42 -0.125 11.908 104.893 1.00 17.13 O HETATM 1462 O HOH 43 11.953 0.392 95.180 1.00 41.68 O HETATM 1463 O HOH 44 26.753 22.760 86.751 1.00 27.70 O HETATM 1464 O HOH 45 12.013 10.663 76.222 1.00 54.13 O HETATM 1465 O HOH 46 2.340 8.433 109.659 1.00 25.73 O HETATM 1466 O HOH 47 23.109 9.403 91.121 1.00 34.00 O HETATM 1467 O HOH 48 11.473 28.357 78.402 1.00 18.54 O HETATM 1468 O HOH 49 8.519 0.339 86.671 1.00 46.28 O HETATM 1469 O HOH 50 13.225 13.116 113.778 1.00 55.29 O HETATM 1470 O HOH 51 15.432 17.527 77.563 1.00 50.72 O HETATM 1471 O HOH 52 -3.976 13.257 94.814 1.00 25.20 O HETATM 1472 O HOH 53 -0.367 13.228 85.681 1.00 31.79 O HETATM 1473 O HOH 54 7.266 34.120 77.792 1.00 25.70 O HETATM 1474 O HOH 55 2.027 21.915 88.333 1.00 21.99 O HETATM 1475 O HOH 56 4.342 1.243 90.159 1.00 33.01 O HETATM 1476 O HOH 57 23.226 23.224 81.528 1.00 32.66 O HETATM 1477 O HOH 58 3.308 12.949 73.006 1.00 27.20 O HETATM 1478 O HOH 59 22.775 15.986 96.230 1.00 28.04 O HETATM 1479 O HOH 60 17.448 32.901 94.690 1.00 29.46 O HETATM 1480 O HOH 61 6.085 1.281 81.967 1.00 54.92 O HETATM 1481 O HOH 62 21.025 24.135 107.430 1.00 23.77 O HETATM 1482 O HOH 63 8.796 14.410 107.653 1.00 32.89 O HETATM 1483 O HOH 64 15.892 31.439 82.391 1.00 51.22 O HETATM 1484 O HOH 65 26.082 15.768 88.232 1.00 38.25 O HETATM 1485 O HOH 66 19.199 32.805 92.462 1.00 38.98 O HETATM 1486 O HOH 67 14.973 2.691 85.172 1.00 40.13 O HETATM 1487 O HOH 68 3.848 3.673 108.197 1.00 35.96 O HETATM 1488 O HOH 69 9.267 6.163 104.416 1.00 21.80 O HETATM 1489 O HOH 70 4.376 24.163 77.404 1.00 17.78 O HETATM 1490 O HOH 71 4.997 6.261 84.508 1.00 18.73 O HETATM 1491 O HOH 72 22.688 27.304 87.213 1.00 22.06 O HETATM 1492 O HOH 73 6.720 27.236 94.109 1.00 49.14 O HETATM 1493 O HOH 74 9.995 14.354 82.333 1.00 15.31 O HETATM 1494 O HOH 75 5.031 19.036 95.794 1.00 19.47 O HETATM 1495 O HOH 76 0.486 10.260 74.497 1.00 38.37 O HETATM 1496 O HOH 77 -0.144 7.229 101.568 1.00 31.80 O HETATM 1497 O HOH 78 6.123 30.677 86.261 1.00 44.71 O HETATM 1498 O HOH 79 23.578 18.035 106.052 1.00 40.69 O HETATM 1499 O HOH 80 17.684 14.947 77.430 1.00 52.87 O HETATM 1500 O HOH 81 15.758 4.292 81.126 1.00 32.28 O HETATM 1501 O HOH 82 19.630 29.253 103.113 1.00 39.46 O HETATM 1502 O HOH 83 13.306 1.794 83.357 1.00 52.61 O HETATM 1503 O HOH 84 6.165 24.868 101.409 1.00 25.97 O HETATM 1504 O HOH 85 7.254 17.385 108.527 1.00 32.15 O HETATM 1505 O HOH 86 21.539 16.438 104.253 1.00 45.86 O HETATM 1506 O HOH 87 0.446 16.046 98.888 1.00 30.11 O HETATM 1507 O HOH 88 10.796 1.138 90.888 1.00 37.89 O HETATM 1508 O HOH 89 9.936 31.372 97.049 1.00 37.01 O HETATM 1509 O HOH 90 15.477 2.027 95.575 1.00 36.09 O HETATM 1510 O HOH 91 14.292 28.341 99.264 1.00 37.18 O HETATM 1511 O HOH 92 17.675 4.535 87.419 1.00 35.57 O HETATM 1512 O HOH 93 21.368 29.132 99.942 1.00 41.59 O HETATM 1513 O HOH 94 18.252 28.756 81.368 1.00 27.42 O HETATM 1514 O HOH 95 22.652 19.275 80.769 1.00 44.55 O HETATM 1515 O HOH 96 13.655 14.902 75.423 1.00 22.79 O HETATM 1516 O HOH 97 3.700 17.191 104.391 1.00 42.10 O HETATM 1517 O HOH 98 4.577 25.195 94.458 1.00 22.64 O HETATM 1518 O HOH 99 16.036 31.872 87.500 1.00 21.91 O HETATM 1519 O HOH 100 8.271 8.095 69.236 1.00 41.03 O HETATM 1520 O HOH 101 9.388 21.631 111.735 1.00 23.56 O HETATM 1521 O HOH 102 24.136 20.549 107.954 1.00 47.80 O HETATM 1522 O HOH 103 17.947 5.871 82.751 1.00 44.44 O HETATM 1523 O HOH 104 3.810 4.704 78.980 1.00 32.72 O HETATM 1524 O HOH 105 14.747 29.187 81.148 1.00 30.38 O HETATM 1525 O HOH 106 3.579 24.542 96.902 1.00 60.90 O HETATM 1526 O HOH 107 9.983 9.690 74.304 1.00 36.83 O HETATM 1527 O HOH 108 1.218 18.839 98.530 1.00 58.15 O HETATM 1528 O HOH 109 -0.200 21.930 90.066 1.00 54.11 O HETATM 1529 O HOH 110 4.870 8.084 69.521 1.00 39.25 O HETATM 1530 O HOH 111 20.387 5.378 93.917 1.00 39.98 O HETATM 1531 O HOH 112 17.328 22.286 78.016 1.00 25.17 O HETATM 1532 O HOH 113 8.007 12.121 108.558 1.00 38.36 O HETATM 1533 O HOH 114 10.820 12.801 110.408 1.00 43.91 O HETATM 1534 O HOH 115 5.189 3.938 81.417 1.00 35.41 O HETATM 1535 O HOH 116 -0.378 15.720 85.911 1.00 59.72 O HETATM 1536 O HOH 117 3.346 23.402 100.364 1.00 50.19 O HETATM 1537 O HOH 118 1.259 5.536 89.072 1.00 50.15 O HETATM 1538 O HOH 119 10.438 35.471 84.915 1.00 37.56 O HETATM 1539 O HOH 120 8.706 4.558 111.280 1.00 57.21 O HETATM 1540 O HOH 121 8.073 32.109 86.982 1.00 57.29 O HETATM 1541 O HOH 122 23.548 24.566 105.805 1.00 26.84 O HETATM 1542 O HOH 123 3.071 23.303 75.115 1.00 33.90 O HETATM 1543 O HOH 124 16.582 26.088 103.613 1.00 15.39 O HETATM 1544 O HOH 125 3.001 27.961 84.747 1.00 35.16 O HETATM 1545 O HOH 126 1.448 4.999 80.903 1.00 45.93 O HETATM 1546 O HOH 127 27.790 15.371 86.329 1.00 48.81 O HETATM 1547 O HOH 128 14.583 10.625 113.731 1.00 53.89 O HETATM 1548 O HOH 129 22.096 21.453 79.701 1.00 54.15 O HETATM 1549 O HOH 130 19.968 16.025 116.484 1.00 45.83 O HETATM 1550 O HOH 131 2.969 24.350 89.419 1.00 52.50 O HETATM 1551 O HOH 132 19.730 32.815 96.327 1.00 61.45 O HETATM 1552 O HOH 133 -3.692 15.978 94.633 1.00 50.45 O HETATM 1553 O HOH 134 14.206 20.797 76.215 1.00 55.72 O HETATM 1554 O HOH 135 18.812 4.460 85.056 1.00 53.17 O HETATM 1555 O HOH 136 27.955 18.261 94.939 1.00 55.97 O HETATM 1556 O HOH 137 2.578 25.518 92.496 1.00 49.98 O HETATM 1557 O HOH 138 24.670 25.881 88.614 1.00 31.24 O HETATM 1558 O HOH 139 21.906 29.335 89.100 1.00 29.39 O HETATM 1559 O HOH 140 22.586 7.685 93.507 1.00 40.58 O HETATM 1560 O HOH 141 21.979 1.243 103.657 1.00 42.93 O HETATM 1561 O HOH 142 28.424 21.120 88.150 1.00 32.93 O HETATM 1562 O HOH 143 20.759 31.702 88.681 1.00 39.56 O HETATM 1563 O HOH 144 11.968 31.734 95.351 1.00 37.88 O HETATM 1564 O HOH 145 2.968 9.155 112.420 1.00 52.12 O HETATM 1565 O HOH 146 -6.622 12.892 94.012 1.00 52.92 O HETATM 1566 O HOH 147 27.087 25.237 87.588 1.00 42.13 O HETATM 1567 O HOH 148 23.667 15.628 107.182 1.00 59.72 O HETATM 1568 O HOH 149 -0.412 21.193 92.589 1.00 55.33 O HETATM 1569 O HOH 150 -1.645 10.160 103.591 1.00 22.24 O HETATM 1570 O HOH 151 26.984 22.779 84.121 1.00 41.86 O HETATM 1571 O HOH 152 24.931 25.176 80.861 1.00 45.05 O HETATM 1572 O HOH 153 18.979 33.575 89.821 1.00 50.68 O HETATM 1573 O HOH 154 1.526 2.164 87.017 1.00 51.07 O HETATM 1574 O HOH 155 25.383 9.426 112.367 1.00 37.74 O HETATM 1575 O HOH 156 14.459 -0.235 96.246 1.00 46.96 O HETATM 1576 O HOH 157 1.959 27.612 78.676 1.00 27.81 O HETATM 1577 O HOH 158 2.668 19.982 96.428 1.00 42.16 O HETATM 1578 O HOH 159 22.736 33.314 90.214 1.00 59.39 O HETATM 1579 O HOH 160 -0.637 26.302 83.190 1.00 48.96 O HETATM 1580 O HOH 161 3.450 0.000 88.136 1.00 42.35 O HETATM 1581 O HOH 162 29.481 22.439 90.247 1.00 54.18 O HETATM 1582 O HOH 163 24.394 28.281 85.205 1.00 43.39 O HETATM 1583 O HOH 164 2.875 4.600 83.507 1.00 45.24 O HETATM 1584 O HOH 165 16.239 13.625 75.723 1.00 52.58 O HETATM 1585 O HOH 166 3.193 22.494 102.912 1.00 48.72 O HETATM 1586 O HOH 167 4.902 18.632 107.429 1.00 58.20 O HETATM 1587 O HOH 168 2.454 29.417 80.631 1.00 47.11 O HETATM 1588 O HOH 169 0.951 25.868 87.567 1.00 52.09 O HETATM 1589 O HOH 170 14.148 26.055 101.961 1.00 63.41 O HETATM 1590 O HOH 171 15.177 29.727 78.438 1.00 38.94 O HETATM 1591 O HOH 172 0.559 23.353 94.100 1.00 56.83 O HETATM 1592 O HOH 173 26.830 26.845 85.338 1.00 43.15 O HETATM 1593 O HOH 174 26.991 25.335 82.949 1.00 46.66 O HETATM 1594 C1 UNN A 175 -0.037 16.127 76.374 1.00 0.21 C HETATM 1595 C2 UNN A 175 -1.198 16.019 77.352 1.00 0.13 C HETATM 1596 C3 UNN A 175 -0.903 16.819 78.627 1.00 0.11 C HETATM 1597 C4 UNN A 175 0.459 16.397 79.218 1.00 0.11 C HETATM 1598 C5 UNN A 175 1.560 16.538 78.171 1.00 0.11 C HETATM 1599 C6 UNN A 175 2.936 16.062 78.612 1.00 0.07 C HETATM 1600 O6 UNN A 175 2.887 14.656 78.886 1.00 -0.39 O HETATM 1601 H10 UNN A 175 2.257 14.491 79.577 1.00 0.21 H HETATM 1602 H6 UNN A 175 3.238 16.603 79.521 1.00 0.06 H HETATM 1603 H7 UNN A 175 3.665 16.255 77.811 1.00 0.06 H HETATM 1604 O5 UNN A 175 1.208 15.783 77.012 1.00 -0.34 O HETATM 1605 H5 UNN A 175 1.634 17.602 77.904 1.00 0.06 H HETATM 1606 O4 UNN A 175 0.831 17.263 80.295 1.00 -0.39 O HETATM 1607 H9 UNN A 175 1.673 16.992 80.641 1.00 0.21 H HETATM 1608 H4 UNN A 175 0.397 15.357 79.570 1.00 0.06 H HETATM 1609 O3 UNN A 175 -1.943 16.568 79.574 1.00 -0.39 O HETATM 1610 H18 UNN A 175 -1.776 17.067 80.365 1.00 0.21 H HETATM 1611 H3 UNN A 175 -0.876 17.892 78.388 1.00 0.06 H HETATM 1612 N2 UNN A 175 -2.443 16.436 76.705 1.00 -0.28 N HETATM 1613 C7 UNN A 175 -3.268 15.546 76.135 1.00 0.17 C HETATM 1614 O7 UNN A 175 -3.036 14.346 76.097 1.00 -0.40 O HETATM 1615 C8 UNN A 175 -4.528 16.094 75.525 1.00 0.03 C HETATM 1616 H15 UNN A 175 -5.115 15.270 75.093 1.00 0.05 H HETATM 1617 H16 UNN A 175 -4.270 16.814 74.734 1.00 0.05 H HETATM 1618 H17 UNN A 175 -5.121 16.599 76.301 1.00 0.05 H HETATM 1619 H8 UNN A 175 -2.684 17.407 76.688 1.00 0.19 H HETATM 1620 H2 UNN A 175 -1.307 14.963 77.638 1.00 0.06 H HETATM 1621 O1 UNN A 175 0.064 17.436 75.843 1.00 -0.28 O HETATM 1622 C1' UNN A 175 0.612 17.525 74.594 1.00 0.10 C HETATM 1623 C2' UNN A 175 0.136 18.476 73.708 1.00 -0.02 C HETATM 1624 C3' UNN A 175 0.698 18.551 72.448 1.00 -0.03 C HETATM 1625 C4' UNN A 175 1.714 17.667 72.128 1.00 0.19 C HETATM 1626 N1' UNN A 175 2.291 17.698 70.877 1.00 0.31 N HETATM 1627 O1' UNN A 175 1.457 17.466 69.798 1.00 0.17 O HETATM 1628 O2' UNN A 175 3.656 17.901 70.761 1.00 0.17 O HETATM 1629 C5' UNN A 175 2.189 16.716 73.000 1.00 -0.03 C HETATM 1630 C6' UNN A 175 1.629 16.646 74.250 1.00 -0.02 C HETATM 1631 H14 UNN A 175 1.978 15.909 74.964 1.00 0.06 H HETATM 1632 H13 UNN A 175 2.984 16.040 72.707 1.00 0.07 H HETATM 1633 H11 UNN A 175 0.352 19.284 71.728 1.00 0.07 H HETATM 1634 H12 UNN A 175 -0.663 19.149 73.997 1.00 0.06 H HETATM 1635 H1 UNN A 175 -0.216 15.424 75.547 1.00 0.10 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1594 1595 1604 1621 1635 CONECT 1595 1594 1596 1612 1620 CONECT 1596 1595 1597 1609 1611 CONECT 1597 1596 1598 1606 1608 CONECT 1598 1597 1599 1604 1605 CONECT 1599 1598 1600 1602 1603 CONECT 1600 1599 1601 CONECT 1601 1600 CONECT 1602 1599 CONECT 1603 1599 CONECT 1604 1594 1598 CONECT 1605 1598 CONECT 1606 1597 1607 CONECT 1607 1606 CONECT 1608 1597 CONECT 1609 1596 1610 CONECT 1610 1609 CONECT 1611 1596 CONECT 1612 1595 1613 1619 CONECT 1613 1612 1614 1615 CONECT 1614 1613 CONECT 1615 1613 1616 1617 1618 CONECT 1616 1615 CONECT 1617 1615 CONECT 1618 1615 CONECT 1619 1612 CONECT 1620 1595 CONECT 1621 1594 1622 CONECT 1622 1621 1623 1630 CONECT 1623 1622 1624 1634 CONECT 1624 1623 1625 1633 CONECT 1625 1624 1626 1629 CONECT 1626 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 CONECT 1629 1625 1630 1632 CONECT 1630 1622 1629 1631 CONECT 1631 1630 CONECT 1632 1629 CONECT 1633 1624 CONECT 1634 1623 CONECT 1635 1594 MASTER 0 0 0 0 0 0 0 0 1634 1 45 12 END
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Structure:
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Related entries of code: 5ggl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ggj
RCSB PDB
PDBbind
164aa, >5GGJ_1|Chains... *
5ggk
RCSB PDB
PDBbind
164aa, >5GGK_1|Chains... at 100%
5ggn
RCSB PDB
PDBbind
164aa, >5GGN_1|Chains... at 100%
5ggo
RCSB PDB
PDBbind
164aa, >5GGO_1|Chains... at 100%
5ggp
RCSB PDB
PDBbind
164aa, >5GGP_1|Chains... at 100%
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
5ggl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase
Ligand Name
6ZC
EC.Number
E.C.2.4.1
Resolution
1.27(Å)
Affinity (Kd/Ki/IC50)
Kd=16.52mM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Proc.Natl.Acad.Sci.USA Vol.113 : pp. 9280-9285
Ligand Properties
Formula
C
1
4
H
1
8
N
2
O
8
Molecular Weight
342.301
Exact Mass
342.106
No. of atoms
42
No. of bonds
43
Polar Surface Area
154.07
LOGP Value
-0.41 (
Computed with XLOGP3
)
-0.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H](Oc2ccc(cc2)N(=O)=O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
InChI String
InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8WZA1
Entrez Gene ID
NCBI Entrez Gene ID:
55624
ASD
Information of known allosteric effects of PDB entries
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