Browse entries in the PDBbind-CN Database
HEADER 5TWG_COMPLEX COMPND 5TWG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 4 PRO LYS LYS ASN SEQRES 1 A 189 SER HIS GLN TYR GLU LEU LEU LYS HIS ALA GLU ALA THR SEQRES 2 A 189 LEU GLY SER GLY ASN LEU ARG GLN ALA VAL MET LEU PRO SEQRES 3 A 189 GLU GLY GLU ASP LEU ASN GLU TRP ILE ALA VAL ASN THR SEQRES 4 A 189 VAL ASP PHE PHE ASN GLN ILE ASN MET LEU TYR GLY THR SEQRES 5 A 189 ILE THR GLU PHE CYS THR GLU ALA SER CYS PRO VAL MET SEQRES 6 A 189 SER ALA GLY PRO ARG TYR GLU TYR HIS TRP ALA ASP GLY SEQRES 7 A 189 THR ASN ILE LYS LYS PRO ILE LYS CYS SER ALA PRO LYS SEQRES 8 A 189 TYR ILE ASP TYR LEU MET THR TRP VAL GLN ASP GLN LEU SEQRES 9 A 189 ASP ASP GLU THR LEU PHE PRO SER LYS ILE GLY VAL PRO SEQRES 10 A 189 PHE PRO LYS ASN PHE MET SER VAL ALA LYS THR ILE LEU SEQRES 11 A 189 LYS ARG LEU PHE ARG VAL TYR ALA HIS ILE TYR HIS GLN SEQRES 12 A 189 HIS PHE ASP SER VAL MET GLN LEU GLN GLU GLU ALA HIS SEQRES 13 A 189 LEU ASN THR SER PHE LYS HIS PHE ILE PHE PHE VAL GLN SEQRES 14 A 189 GLU PHE ASN LEU ILE ASP ARG ARG GLU LEU ALA PRO LEU SEQRES 15 A 189 GLN GLU LEU ILE GLU LYS LEU HET ZN A 1 1 HET TPO A 218 76 ATOM 1 N PRO A 15 49.199 -15.361 -8.052 1.00 98.21 N ATOM 2 CA PRO A 15 48.665 -15.158 -6.695 1.00 90.23 C ATOM 3 C PRO A 15 49.742 -15.122 -5.564 1.00 85.77 C ATOM 4 O PRO A 15 50.936 -15.312 -5.832 1.00 91.14 O ATOM 5 CB PRO A 15 47.716 -16.366 -6.521 1.00 87.10 C ATOM 6 CG PRO A 15 47.239 -16.693 -7.914 1.00 75.08 C ATOM 7 CD PRO A 15 48.395 -16.333 -8.836 1.00 88.57 C ATOM 8 HN2 PRO A 15 50.174 -15.716 -7.978 1.00 0.00 H ATOM 9 HN1 PRO A 15 49.200 -14.448 -8.551 1.00 0.00 H ATOM 10 N LYS A 16 49.303 -14.848 -4.332 1.00 71.14 N ATOM 11 CA LYS A 16 50.151 -14.964 -3.147 1.00 84.91 C ATOM 12 C LYS A 16 50.721 -16.379 -3.008 1.00 88.72 C ATOM 13 O LYS A 16 49.984 -17.370 -3.079 1.00 65.31 O ATOM 14 CB LYS A 16 49.350 -14.598 -1.879 1.00 69.68 C ATOM 15 H LYS A 16 48.317 -14.539 -4.211 1.00 0.00 H ATOM 16 N LYS A 17 52.043 -16.468 -2.772 1.00 91.02 N ATOM 17 CA LYS A 17 52.756 -17.724 -2.548 1.00 85.01 C ATOM 18 C LYS A 17 53.233 -17.799 -1.091 1.00100.35 C ATOM 19 O LYS A 17 52.822 -17.005 -0.231 1.00 93.83 O ATOM 20 CB LYS A 17 53.918 -17.887 -3.533 1.00 81.46 C ATOM 21 H LYS A 17 52.593 -15.586 -2.747 1.00 0.00 H ATOM 22 N ASN A 18 54.048 -18.810 -0.798 1.00108.67 N ATOM 23 CA ASN A 18 54.532 -19.050 0.561 1.00 96.39 C ATOM 24 C ASN A 18 56.037 -18.837 0.692 1.00104.28 C ATOM 25 O ASN A 18 56.600 -19.023 1.773 1.00113.61 O ATOM 26 CB ASN A 18 54.174 -20.471 1.000 1.00 92.63 C ATOM 27 CG ASN A 18 52.748 -20.585 1.528 1.00 84.31 C ATOM 28 OD1 ASN A 18 52.202 -19.632 2.085 1.00 83.52 O ATOM 29 ND2 ASN A 18 52.149 -21.758 1.366 1.00 86.43 N ATOM 30 HD22 ASN A 18 52.649 -22.536 0.889 1.00 0.00 H ATOM 31 HD21 ASN A 18 51.180 -21.900 1.716 1.00 0.00 H ATOM 32 H ASN A 18 54.350 -19.450 -1.560 1.00 0.00 H TER 33 ASN A 18 ATOM 34 N SER A 23 51.286 -16.659 10.088 1.00 74.05 N ATOM 35 CA SER A 23 51.443 -17.971 9.477 1.00 78.11 C ATOM 36 C SER A 23 50.555 -18.989 10.163 1.00 69.62 C ATOM 37 O SER A 23 50.135 -19.968 9.547 1.00 65.88 O ATOM 38 CB SER A 23 52.894 -18.450 9.527 1.00 83.16 C ATOM 39 OG SER A 23 53.035 -19.656 8.787 1.00 76.11 O ATOM 40 HG SER A 23 52.449 -20.352 9.177 1.00 0.00 H ATOM 41 HN3 SER A 23 51.548 -16.712 11.093 1.00 0.00 H ATOM 42 HN2 SER A 23 50.295 -16.354 10.003 1.00 0.00 H ATOM 43 HN1 SER A 23 51.903 -15.976 9.603 1.00 0.00 H ATOM 44 N HIS A 24 50.266 -18.784 11.445 1.00 76.45 N ATOM 45 CA HIS A 24 49.280 -19.657 12.073 1.00 69.84 C ATOM 46 C HIS A 24 47.874 -19.307 11.612 1.00 55.41 C ATOM 47 O HIS A 24 47.102 -20.200 11.254 1.00 61.90 O ATOM 48 CB HIS A 24 49.362 -19.593 13.605 1.00 80.36 C ATOM 49 CG HIS A 24 48.403 -20.529 14.278 1.00 79.25 C ATOM 50 ND1 HIS A 24 48.509 -21.909 14.174 1.00 89.30 N ATOM 51 CD2 HIS A 24 47.276 -20.299 14.995 1.00 68.51 C ATOM 52 CE1 HIS A 24 47.514 -22.480 14.825 1.00 74.84 C ATOM 53 NE2 HIS A 24 46.751 -21.525 15.337 1.00 79.19 N ATOM 54 H HIS A 24 50.729 -18.024 11.984 1.00 0.00 H ATOM 55 N GLN A 25 47.528 -18.009 11.619 1.00 56.64 N ATOM 56 CA GLN A 25 46.261 -17.584 11.027 1.00 61.62 C ATOM 57 C GLN A 25 46.180 -18.006 9.577 1.00 50.58 C ATOM 58 O GLN A 25 45.102 -18.373 9.108 1.00 61.88 O ATOM 59 CB GLN A 25 46.043 -16.063 11.097 1.00 62.05 C ATOM 60 CG GLN A 25 46.522 -15.396 12.319 1.00 75.86 C ATOM 61 CD GLN A 25 48.026 -15.086 12.257 1.00 80.81 C ATOM 62 OE1 GLN A 25 48.460 -14.257 11.477 1.00 78.70 O ATOM 63 NE2 GLN A 25 48.812 -15.773 13.060 1.00 85.03 N ATOM 64 HE22 GLN A 25 48.405 -16.473 13.713 1.00 0.00 H ATOM 65 HE21 GLN A 25 49.840 -15.616 13.041 1.00 0.00 H ATOM 66 H GLN A 25 48.163 -17.305 12.047 1.00 0.00 H ATOM 67 N TYR A 26 47.311 -18.013 8.857 1.00 66.20 N ATOM 68 CA TYR A 26 47.252 -18.438 7.454 1.00 51.41 C ATOM 69 C TYR A 26 46.983 -19.952 7.311 1.00 45.54 C ATOM 70 O TYR A 26 46.217 -20.334 6.411 1.00 42.85 O ATOM 71 CB TYR A 26 48.524 -18.006 6.685 1.00 62.03 C ATOM 72 CG TYR A 26 48.466 -18.314 5.192 1.00 53.30 C ATOM 73 CD1 TYR A 26 47.765 -17.487 4.302 1.00 49.60 C ATOM 74 CD2 TYR A 26 49.085 -19.467 4.666 1.00 60.95 C ATOM 75 CE1 TYR A 26 47.687 -17.786 2.940 1.00 47.52 C ATOM 76 CE2 TYR A 26 48.985 -19.791 3.265 1.00 48.76 C ATOM 77 CZ TYR A 26 48.294 -18.928 2.422 1.00 49.62 C ATOM 78 OH TYR A 26 48.177 -19.180 1.066 1.00 48.99 O ATOM 79 HH TYR A 26 47.653 -18.455 0.641 1.00 0.00 H ATOM 80 H TYR A 26 48.213 -17.723 9.285 1.00 0.00 H ATOM 81 N GLU A 27 47.572 -20.856 8.159 1.00 48.71 N ATOM 82 CA GLU A 27 47.087 -22.258 8.086 1.00 52.63 C ATOM 83 C GLU A 27 45.638 -22.306 8.484 1.00 45.28 C ATOM 84 O GLU A 27 44.860 -23.034 7.865 1.00 46.82 O ATOM 85 CB GLU A 27 47.830 -23.318 8.959 1.00 64.60 C ATOM 86 CG GLU A 27 47.427 -24.968 8.655 1.00 56.43 C ATOM 87 CD GLU A 27 46.104 -25.600 9.315 1.00 65.08 C ATOM 88 OE1 GLU A 27 45.702 -24.917 10.286 1.00 67.01 O ATOM 89 OE2 GLU A 27 45.510 -26.744 8.950 1.00 43.61 O ATOM 90 H GLU A 27 48.322 -20.573 8.821 1.00 0.00 H ATOM 91 N LEU A 28 45.262 -21.550 9.531 1.00 47.24 N ATOM 92 CA LEU A 28 43.869 -21.547 9.948 1.00 59.05 C ATOM 93 C LEU A 28 42.970 -21.226 8.769 1.00 55.16 C ATOM 94 O LEU A 28 41.995 -21.942 8.523 1.00 43.21 O ATOM 95 CB LEU A 28 43.632 -20.570 11.102 1.00 47.64 C ATOM 96 CG LEU A 28 43.714 -21.216 12.461 1.00 50.42 C ATOM 97 CD1 LEU A 28 43.138 -20.226 13.467 1.00 60.45 C ATOM 98 CD2 LEU A 28 42.944 -22.516 12.477 1.00 51.50 C ATOM 99 H LEU A 28 45.962 -20.972 10.038 1.00 0.00 H ATOM 100 N LEU A 29 43.350 -20.222 7.967 1.00 50.91 N ATOM 101 CA LEU A 29 42.578 -19.865 6.774 1.00 49.01 C ATOM 102 C LEU A 29 42.527 -21.005 5.750 1.00 52.14 C ATOM 103 O LEU A 29 41.457 -21.343 5.218 1.00 44.83 O ATOM 104 CB LEU A 29 43.177 -18.621 6.138 1.00 42.11 C ATOM 105 CG LEU A 29 42.624 -18.246 4.762 1.00 45.83 C ATOM 106 CD1 LEU A 29 41.242 -17.619 4.914 1.00 48.47 C ATOM 107 CD2 LEU A 29 43.567 -17.306 4.022 1.00 44.67 C ATOM 108 H LEU A 29 44.211 -19.685 8.196 1.00 0.00 H ATOM 109 N LYS A 30 43.680 -21.588 5.419 1.00 56.26 N ATOM 110 CA LYS A 30 43.657 -22.662 4.413 1.00 48.90 C ATOM 111 C LYS A 30 42.959 -23.910 4.964 1.00 43.36 C ATOM 112 O LYS A 30 42.402 -24.707 4.194 1.00 56.63 O ATOM 113 CB LYS A 30 45.084 -22.998 3.946 1.00 41.95 C ATOM 114 CG LYS A 30 45.981 -21.813 3.532 1.00 38.57 C ATOM 115 CD LYS A 30 45.302 -20.885 2.516 1.00 38.51 C ATOM 116 CE LYS A 30 44.857 -21.548 1.198 1.00 51.48 C ATOM 117 NZ LYS A 30 44.425 -20.530 0.136 1.00 38.33 N ATOM 118 HZ1 LYS A 30 43.625 -19.972 0.497 1.00 0.00 H ATOM 119 HZ2 LYS A 30 45.221 -19.897 -0.080 1.00 0.00 H ATOM 120 HZ3 LYS A 30 44.137 -21.033 -0.727 1.00 0.00 H ATOM 121 H LYS A 30 44.573 -21.291 5.861 1.00 0.00 H ATOM 122 N HIS A 31 43.040 -24.105 6.283 1.00 37.03 N ATOM 123 CA HIS A 31 42.276 -25.122 6.997 1.00 49.01 C ATOM 124 C HIS A 31 40.770 -24.895 6.811 1.00 48.68 C ATOM 125 O HIS A 31 40.001 -25.827 6.533 1.00 51.14 O ATOM 126 CB HIS A 31 42.666 -25.024 8.481 1.00 40.27 C ATOM 127 CG HIS A 31 42.591 -26.295 9.251 1.00 56.02 C ATOM 128 ND1 HIS A 31 43.611 -27.259 9.260 1.00 45.59 N ATOM 129 CD2 HIS A 31 41.636 -26.710 10.120 1.00 45.83 C ATOM 130 CE1 HIS A 31 43.225 -28.224 10.087 1.00 96.26 C ATOM 131 NE2 HIS A 31 42.062 -27.905 10.634 1.00 46.50 N ATOM 132 H HIS A 31 43.683 -23.498 6.831 1.00 0.00 H ATOM 133 N ALA A 32 40.327 -23.656 6.999 1.00 51.72 N ATOM 134 CA ALA A 32 38.901 -23.348 6.900 1.00 43.28 C ATOM 135 C ALA A 32 38.409 -23.506 5.469 1.00 49.11 C ATOM 136 O ALA A 32 37.297 -24.012 5.228 1.00 51.19 O ATOM 137 CB ALA A 32 38.652 -21.928 7.386 1.00 40.28 C ATOM 138 H ALA A 32 41.003 -22.897 7.219 1.00 0.00 H ATOM 139 N GLU A 33 39.233 -23.084 4.505 1.00 48.90 N ATOM 140 CA GLU A 33 38.833 -23.135 3.100 1.00 56.45 C ATOM 141 C GLU A 33 38.757 -24.574 2.627 1.00 53.07 C ATOM 142 O GLU A 33 37.813 -24.960 1.936 1.00 48.76 O ATOM 143 CB GLU A 33 39.822 -22.347 2.223 1.00 43.79 C ATOM 144 CG GLU A 33 39.822 -20.860 2.485 1.00 52.84 C ATOM 145 CD GLU A 33 40.995 -20.178 1.825 1.00 62.94 C ATOM 146 OE1 GLU A 33 41.898 -20.904 1.356 1.00 49.33 O ATOM 147 OE2 GLU A 33 40.985 -18.928 1.723 1.00 61.59 O ATOM 148 H GLU A 33 40.172 -22.714 4.758 1.00 0.00 H ATOM 149 N ALA A 34 39.751 -25.384 3.000 1.00 50.44 N ATOM 150 CA ALA A 34 39.820 -26.751 2.503 1.00 51.45 C ATOM 151 C ALA A 34 38.722 -27.601 3.111 1.00 45.03 C ATOM 152 O ALA A 34 38.027 -28.330 2.399 1.00 44.76 O ATOM 153 CB ALA A 34 41.191 -27.355 2.803 1.00 35.06 C ATOM 154 H ALA A 34 40.483 -25.035 3.652 1.00 0.00 H ATOM 155 N THR A 35 38.545 -27.523 4.431 1.00 43.20 N ATOM 156 CA THR A 35 37.551 -28.381 5.081 1.00 39.22 C ATOM 157 C THR A 35 36.125 -28.141 4.568 1.00 49.26 C ATOM 158 O THR A 35 35.292 -29.042 4.688 1.00 55.89 O ATOM 159 CB THR A 35 37.615 -28.198 6.609 1.00 48.53 C ATOM 160 OG1 THR A 35 37.494 -26.801 6.949 1.00 54.59 O ATOM 161 CG2 THR A 35 38.923 -28.722 7.125 1.00 41.17 C ATOM 162 HG1 THR A 35 38.235 -26.295 6.530 1.00 0.00 H ATOM 163 H THR A 35 39.110 -26.857 4.996 1.00 0.00 H ATOM 164 N LEU A 36 35.818 -26.961 4.001 1.00 43.15 N ATOM 165 CA LEU A 36 34.505 -26.748 3.374 1.00 52.04 C ATOM 166 C LEU A 36 34.210 -27.773 2.287 1.00 57.37 C ATOM 167 O LEU A 36 33.042 -28.031 1.986 1.00 50.39 O ATOM 168 CB LEU A 36 34.392 -25.354 2.715 1.00 46.09 C ATOM 169 CG LEU A 36 34.504 -24.071 3.491 1.00 43.43 C ATOM 170 CD1 LEU A 36 34.568 -22.886 2.576 1.00 54.54 C ATOM 171 CD2 LEU A 36 33.289 -24.018 4.326 1.00 60.81 C ATOM 172 H LEU A 36 36.517 -26.191 4.006 1.00 0.00 H ATOM 173 N GLY A 37 35.241 -28.337 1.660 1.00 52.38 N ATOM 174 CA GLY A 37 35.014 -29.262 0.560 1.00 51.83 C ATOM 175 C GLY A 37 34.341 -30.571 0.954 1.00 49.08 C ATOM 176 O GLY A 37 34.054 -31.391 0.069 1.00 55.47 O ATOM 177 H GLY A 37 36.212 -28.115 1.958 1.00 0.00 H ATOM 178 N SER A 38 34.091 -30.796 2.250 1.00 51.13 N ATOM 179 CA SER A 38 33.316 -31.968 2.677 1.00 60.56 C ATOM 180 C SER A 38 31.830 -31.839 2.357 1.00 65.09 C ATOM 181 O SER A 38 31.074 -32.793 2.586 1.00 71.82 O ATOM 182 CB SER A 38 33.457 -32.174 4.184 1.00 59.14 C ATOM 183 OG SER A 38 32.735 -31.157 4.855 1.00 60.13 O ATOM 184 HG SER A 38 32.821 -31.283 5.833 1.00 0.00 H ATOM 185 H SER A 38 34.451 -30.131 2.964 1.00 0.00 H ATOM 186 N GLY A 39 31.384 -30.663 1.908 1.00 79.29 N ATOM 187 CA GLY A 39 29.991 -30.423 1.639 1.00 76.75 C ATOM 188 C GLY A 39 29.152 -30.171 2.861 1.00 76.64 C ATOM 189 O GLY A 39 28.049 -29.622 2.734 1.00 75.97 O ATOM 190 H GLY A 39 32.066 -29.895 1.747 1.00 0.00 H ATOM 191 N ASN A 40 29.637 -30.515 4.049 1.00 58.26 N ATOM 192 CA ASN A 40 28.840 -30.306 5.244 1.00 65.27 C ATOM 193 C ASN A 40 29.343 -29.044 5.912 1.00 63.93 C ATOM 194 O ASN A 40 30.231 -29.088 6.770 1.00 64.57 O ATOM 195 CB ASN A 40 28.938 -31.492 6.190 1.00 70.94 C ATOM 196 CG ASN A 40 28.276 -31.210 7.517 1.00 79.87 C ATOM 197 OD1 ASN A 40 27.397 -30.342 7.616 1.00 78.01 O ATOM 198 ND2 ASN A 40 28.667 -31.951 8.539 1.00 83.72 N ATOM 199 HD22 ASN A 40 29.409 -32.668 8.408 1.00 0.00 H ATOM 200 HD21 ASN A 40 28.233 -31.817 9.474 1.00 0.00 H ATOM 201 H ASN A 40 30.586 -30.933 4.123 1.00 0.00 H ATOM 202 N LEU A 41 28.663 -27.940 5.634 1.00 69.61 N ATOM 203 CA LEU A 41 29.187 -26.663 6.065 1.00 53.39 C ATOM 204 C LEU A 41 28.969 -26.439 7.552 1.00 59.65 C ATOM 205 O LEU A 41 29.752 -25.709 8.181 1.00 46.87 O ATOM 206 CB LEU A 41 28.563 -25.535 5.237 1.00 52.31 C ATOM 207 CG LEU A 41 28.989 -25.501 3.769 1.00 64.71 C ATOM 208 CD1 LEU A 41 29.042 -24.074 3.302 1.00 68.73 C ATOM 209 CD2 LEU A 41 30.327 -26.188 3.497 1.00 59.49 C ATOM 210 H LEU A 41 27.765 -27.992 5.113 1.00 0.00 H ATOM 211 N ARG A 42 27.950 -27.092 8.127 1.00 55.47 N ATOM 212 CA ARG A 42 27.662 -26.911 9.543 1.00 62.02 C ATOM 213 C ARG A 42 28.820 -27.393 10.400 1.00 59.37 C ATOM 214 O ARG A 42 29.205 -26.715 11.354 1.00 54.95 O ATOM 215 CB ARG A 42 26.378 -27.637 9.922 1.00 58.13 C ATOM 216 CG ARG A 42 25.186 -27.187 9.144 1.00 67.42 C ATOM 217 CD ARG A 42 24.355 -26.346 10.074 1.00 84.51 C ATOM 218 NE ARG A 42 23.250 -25.707 9.396 1.00 95.25 N ATOM 219 CZ ARG A 42 22.832 -24.484 9.703 1.00 90.23 C ATOM 220 NH1 ARG A 42 23.463 -23.760 10.630 1.00 73.21 N ATOM 221 NH2 ARG A 42 21.792 -23.957 9.076 1.00 93.57 N ATOM 222 HE ARG A 42 22.763 -26.225 8.637 1.00 0.00 H ATOM 223 HH12 ARG A 42 23.126 -22.804 10.861 1.00 0.00 H ATOM 224 HH11 ARG A 42 24.292 -24.152 11.121 1.00 0.00 H ATOM 225 HH22 ARG A 42 21.468 -22.999 9.320 1.00 0.00 H ATOM 226 HH21 ARG A 42 21.298 -24.501 8.340 1.00 0.00 H ATOM 227 H ARG A 42 27.361 -27.733 7.558 1.00 0.00 H ATOM 228 N GLN A 43 29.415 -28.538 10.051 1.00 59.89 N ATOM 229 CA GLN A 43 30.599 -29.020 10.769 1.00 64.32 C ATOM 230 C GLN A 43 31.864 -28.229 10.410 1.00 58.18 C ATOM 231 O GLN A 43 32.694 -27.943 11.289 1.00 48.71 O ATOM 232 CB GLN A 43 30.805 -30.513 10.490 1.00 63.51 C ATOM 233 CG GLN A 43 31.974 -31.129 11.258 1.00 65.89 C ATOM 234 CD GLN A 43 31.566 -32.366 12.072 1.00 92.79 C ATOM 235 OE1 GLN A 43 30.986 -32.249 13.152 1.00101.85 O ATOM 236 NE2 GLN A 43 31.878 -33.553 11.555 1.00 96.50 N ATOM 237 HE22 GLN A 43 32.368 -33.609 10.640 1.00 0.00 H ATOM 238 HE21 GLN A 43 31.631 -34.424 12.067 1.00 0.00 H ATOM 239 H GLN A 43 29.033 -29.094 9.260 1.00 0.00 H ATOM 240 N ALA A 44 32.027 -27.855 9.134 1.00 49.54 N ATOM 241 CA ALA A 44 33.283 -27.225 8.730 1.00 51.50 C ATOM 242 C ALA A 44 33.467 -25.877 9.403 1.00 46.48 C ATOM 243 O ALA A 44 34.605 -25.450 9.620 1.00 46.36 O ATOM 244 CB ALA A 44 33.362 -27.066 7.206 1.00 48.81 C ATOM 245 H ALA A 44 31.269 -28.011 8.439 1.00 0.00 H ATOM 246 N VAL A 45 32.371 -25.203 9.775 1.00 48.53 N ATOM 247 CA VAL A 45 32.524 -23.867 10.349 1.00 55.86 C ATOM 248 C VAL A 45 32.833 -23.893 11.845 1.00 57.17 C ATOM 249 O VAL A 45 33.103 -22.828 12.429 1.00 54.96 O ATOM 250 CB VAL A 45 31.279 -22.990 10.080 1.00 46.85 C ATOM 251 CG1 VAL A 45 30.979 -22.906 8.569 1.00 51.48 C ATOM 252 CG2 VAL A 45 30.061 -23.472 10.874 1.00 44.22 C ATOM 253 H VAL A 45 31.427 -25.623 9.658 1.00 0.00 H ATOM 254 N MET A 46 32.856 -25.066 12.477 1.00 44.59 N ATOM 255 CA MET A 46 33.003 -25.108 13.932 1.00 48.11 C ATOM 256 C MET A 46 34.450 -24.875 14.350 1.00 55.93 C ATOM 257 O MET A 46 35.400 -25.212 13.637 1.00 58.74 O ATOM 258 CB MET A 46 32.509 -26.446 14.494 1.00 48.08 C ATOM 259 CG MET A 46 31.074 -26.757 14.090 1.00 51.82 C ATOM 260 SD MET A 46 30.320 -28.177 14.929 1.00 76.04 S ATOM 261 CE MET A 46 31.368 -29.524 14.435 1.00 70.67 C ATOM 262 H MET A 46 32.770 -25.950 11.937 1.00 0.00 H ATOM 263 N LEU A 47 34.600 -24.310 15.523 1.00 52.40 N ATOM 264 CA LEU A 47 35.903 -24.012 16.100 1.00 59.17 C ATOM 265 C LEU A 47 36.766 -25.280 16.186 1.00 47.15 C ATOM 266 O LEU A 47 36.392 -26.230 16.894 1.00 57.75 O ATOM 267 CB LEU A 47 35.667 -23.387 17.483 1.00 46.58 C ATOM 268 CG LEU A 47 36.900 -22.951 18.272 1.00 56.02 C ATOM 269 CD1 LEU A 47 37.694 -21.875 17.524 1.00 46.05 C ATOM 270 CD2 LEU A 47 36.531 -22.474 19.680 1.00 49.08 C ATOM 271 H LEU A 47 33.749 -24.063 16.067 1.00 0.00 H ATOM 272 N PRO A 48 37.901 -25.349 15.492 1.00 49.61 N ATOM 273 CA PRO A 48 38.718 -26.556 15.593 1.00 53.72 C ATOM 274 C PRO A 48 39.247 -26.720 17.006 1.00 63.59 C ATOM 275 O PRO A 48 39.285 -25.779 17.800 1.00 58.24 O ATOM 276 CB PRO A 48 39.839 -26.308 14.585 1.00 48.54 C ATOM 277 CG PRO A 48 39.211 -25.315 13.617 1.00 45.92 C ATOM 278 CD PRO A 48 38.454 -24.423 14.475 1.00 45.58 C ATOM 279 N GLU A 49 39.626 -27.952 17.325 1.00 78.89 N ATOM 280 CA GLU A 49 40.004 -28.279 18.690 1.00 64.81 C ATOM 281 C GLU A 49 41.114 -27.361 19.186 1.00 64.54 C ATOM 282 O GLU A 49 42.156 -27.208 18.542 1.00 60.59 O ATOM 283 CB GLU A 49 40.442 -29.737 18.764 1.00 73.20 C ATOM 284 CG GLU A 49 39.282 -30.724 18.660 1.00 92.56 C ATOM 285 CD GLU A 49 39.719 -32.116 18.214 1.00111.54 C ATOM 286 OE1 GLU A 49 40.945 -32.368 18.125 1.00112.84 O ATOM 287 OE2 GLU A 49 38.826 -32.955 17.943 1.00116.91 O ATOM 288 H GLU A 49 39.653 -28.689 16.592 1.00 0.00 H ATOM 289 N GLY A 50 40.869 -26.723 20.328 1.00 72.60 N ATOM 290 CA GLY A 50 41.881 -25.919 20.988 1.00 59.69 C ATOM 291 C GLY A 50 42.228 -24.599 20.330 1.00 68.01 C ATOM 292 O GLY A 50 43.103 -23.902 20.844 1.00 77.07 O ATOM 293 H GLY A 50 39.926 -26.803 20.759 1.00 0.00 H ATOM 294 N GLU A 51 41.572 -24.217 19.223 1.00 52.74 N ATOM 295 CA GLU A 51 41.836 -22.919 18.599 1.00 50.93 C ATOM 296 C GLU A 51 41.248 -21.800 19.425 1.00 52.63 C ATOM 297 O GLU A 51 40.221 -21.969 20.085 1.00 55.06 O ATOM 298 CB GLU A 51 41.232 -22.808 17.195 1.00 48.31 C ATOM 299 CG GLU A 51 42.171 -23.276 16.113 1.00 60.85 C ATOM 300 CD GLU A 51 43.573 -22.728 16.285 1.00 72.83 C ATOM 301 OE1 GLU A 51 43.730 -21.488 16.510 1.00 80.65 O ATOM 302 OE2 GLU A 51 44.508 -23.567 16.234 1.00 78.37 O ATOM 303 H GLU A 51 40.865 -24.853 18.802 1.00 0.00 H ATOM 304 N ASP A 52 41.880 -20.632 19.338 1.00 63.55 N ATOM 305 CA ASP A 52 41.338 -19.427 19.955 1.00 54.36 C ATOM 306 C ASP A 52 40.061 -19.017 19.210 1.00 52.56 C ATOM 307 O ASP A 52 40.072 -18.825 17.988 1.00 46.70 O ATOM 308 CB ASP A 52 42.405 -18.326 19.912 1.00 58.30 C ATOM 309 CG ASP A 52 41.998 -17.051 20.640 1.00 72.48 C ATOM 310 OD1 ASP A 52 41.589 -17.117 21.828 1.00 68.33 O ATOM 311 OD2 ASP A 52 42.133 -15.969 20.018 1.00 73.22 O ATOM 312 H ASP A 52 42.780 -20.578 18.819 1.00 0.00 H ATOM 313 N LEU A 53 38.953 -18.892 19.942 1.00 49.18 N ATOM 314 CA LEU A 53 37.690 -18.545 19.304 1.00 47.61 C ATOM 315 C LEU A 53 37.808 -17.253 18.503 1.00 51.57 C ATOM 316 O LEU A 53 37.437 -17.209 17.324 1.00 49.68 O ATOM 317 CB LEU A 53 36.599 -18.420 20.355 1.00 58.34 C ATOM 318 CG LEU A 53 35.280 -17.851 19.849 1.00 51.04 C ATOM 319 CD1 LEU A 53 34.755 -18.730 18.760 1.00 47.16 C ATOM 320 CD2 LEU A 53 34.304 -17.820 21.019 1.00 54.09 C ATOM 321 H LEU A 53 38.991 -19.043 20.970 1.00 0.00 H ATOM 322 N ASN A 54 38.335 -16.189 19.129 1.00 48.42 N ATOM 323 CA ASN A 54 38.538 -14.912 18.430 1.00 54.93 C ATOM 324 C ASN A 54 39.366 -15.064 17.155 1.00 56.13 C ATOM 325 O ASN A 54 39.044 -14.464 16.117 1.00 59.64 O ATOM 326 CB ASN A 54 39.232 -13.907 19.344 1.00 62.14 C ATOM 327 CG ASN A 54 38.298 -13.287 20.341 1.00 70.64 C ATOM 328 OD1 ASN A 54 37.078 -13.359 20.194 1.00 62.77 O ATOM 329 ND2 ASN A 54 38.867 -12.627 21.339 1.00 60.55 N ATOM 330 HD22 ASN A 54 39.904 -12.597 21.418 1.00 0.00 H ATOM 331 HD21 ASN A 54 38.277 -12.139 22.043 1.00 0.00 H ATOM 332 H ASN A 54 38.605 -16.270 20.130 1.00 0.00 H ATOM 333 N GLU A 55 40.487 -15.793 17.240 1.00 47.04 N ATOM 334 CA GLU A 55 41.318 -16.014 16.061 1.00 55.95 C ATOM 335 C GLU A 55 40.554 -16.754 14.963 1.00 51.71 C ATOM 336 O GLU A 55 40.642 -16.376 13.794 1.00 49.11 O ATOM 337 CB GLU A 55 42.576 -16.773 16.443 1.00 55.22 C ATOM 338 CG GLU A 55 43.579 -16.874 15.303 1.00 59.31 C ATOM 339 CD GLU A 55 44.824 -17.569 15.773 1.00 74.97 C ATOM 340 OE1 GLU A 55 44.741 -18.457 16.661 1.00 84.22 O ATOM 341 OE2 GLU A 55 45.885 -17.221 15.249 1.00 85.05 O ATOM 342 H GLU A 55 40.767 -16.204 18.153 1.00 0.00 H ATOM 343 N TRP A 56 39.759 -17.775 15.316 1.00 48.38 N ATOM 344 CA TRP A 56 38.919 -18.442 14.312 1.00 41.33 C ATOM 345 C TRP A 56 37.951 -17.460 13.645 1.00 52.60 C ATOM 346 O TRP A 56 37.841 -17.404 12.402 1.00 46.90 O ATOM 347 CB TRP A 56 38.159 -19.593 14.964 1.00 41.89 C ATOM 348 CG TRP A 56 37.304 -20.446 14.040 1.00 47.19 C ATOM 349 CD1 TRP A 56 35.970 -20.659 14.133 1.00 41.06 C ATOM 350 CD2 TRP A 56 37.759 -21.212 12.895 1.00 48.22 C ATOM 351 NE1 TRP A 56 35.552 -21.516 13.122 1.00 47.23 N ATOM 352 CE2 TRP A 56 36.631 -21.866 12.358 1.00 47.19 C ATOM 353 CE3 TRP A 56 39.015 -21.425 12.305 1.00 46.67 C ATOM 354 CZ2 TRP A 56 36.714 -22.730 11.235 1.00 53.65 C ATOM 355 CZ3 TRP A 56 39.095 -22.292 11.170 1.00 50.26 C ATOM 356 CH2 TRP A 56 37.945 -22.926 10.658 1.00 52.20 C ATOM 357 HE1 TRP A 56 34.575 -21.839 12.971 1.00 0.00 H ATOM 358 H TRP A 56 39.737 -18.096 16.305 1.00 0.00 H ATOM 359 N ILE A 57 37.240 -16.674 14.455 1.00 44.02 N ATOM 360 CA ILE A 57 36.314 -15.666 13.926 1.00 49.63 C ATOM 361 C ILE A 57 37.058 -14.625 13.091 1.00 48.90 C ATOM 362 O ILE A 57 36.645 -14.290 11.971 1.00 50.16 O ATOM 363 CB ILE A 57 35.534 -15.026 15.093 1.00 51.61 C ATOM 364 CG1 ILE A 57 34.515 -16.033 15.652 1.00 42.98 C ATOM 365 CG2 ILE A 57 34.867 -13.704 14.681 1.00 45.49 C ATOM 366 CD1 ILE A 57 33.760 -15.498 16.890 1.00 53.03 C ATOM 367 H ILE A 57 37.344 -16.778 15.485 1.00 0.00 H ATOM 368 N ALA A 58 38.192 -14.134 13.597 1.00 46.72 N ATOM 369 CA ALA A 58 38.962 -13.134 12.862 1.00 41.89 C ATOM 370 C ALA A 58 39.375 -13.639 11.481 1.00 44.58 C ATOM 371 O ALA A 58 39.299 -12.898 10.485 1.00 41.39 O ATOM 372 CB ALA A 58 40.191 -12.751 13.689 1.00 43.80 C ATOM 373 H ALA A 58 38.530 -14.467 14.523 1.00 0.00 H ATOM 374 N VAL A 59 39.868 -14.884 11.407 1.00 42.40 N ATOM 375 CA VAL A 59 40.362 -15.452 10.145 1.00 39.17 C ATOM 376 C VAL A 59 39.215 -15.590 9.135 1.00 45.33 C ATOM 377 O VAL A 59 39.346 -15.251 7.944 1.00 44.32 O ATOM 378 CB VAL A 59 41.036 -16.808 10.422 1.00 49.39 C ATOM 379 CG1 VAL A 59 40.936 -17.699 9.196 1.00 47.95 C ATOM 380 CG2 VAL A 59 42.532 -16.611 10.863 1.00 43.81 C ATOM 381 H VAL A 59 39.902 -15.465 12.269 1.00 0.00 H ATOM 382 N ASN A 60 38.060 -16.082 9.600 1.00 39.72 N ATOM 383 CA ASN A 60 36.902 -16.224 8.713 1.00 56.01 C ATOM 384 C ASN A 60 36.278 -14.881 8.351 1.00 46.42 C ATOM 385 O ASN A 60 35.806 -14.701 7.223 1.00 50.22 O ATOM 386 CB ASN A 60 35.857 -17.140 9.354 1.00 39.51 C ATOM 387 CG ASN A 60 36.261 -18.589 9.281 1.00 51.16 C ATOM 388 OD1 ASN A 60 35.879 -19.293 8.352 1.00 45.91 O ATOM 389 ND2 ASN A 60 37.052 -19.040 10.253 1.00 43.34 N ATOM 390 HD22 ASN A 60 37.349 -18.403 11.020 1.00 0.00 H ATOM 391 HD21 ASN A 60 37.373 -20.029 10.245 1.00 0.00 H ATOM 392 H ASN A 60 37.984 -16.365 10.598 1.00 0.00 H ATOM 393 N THR A 61 36.235 -13.944 9.293 1.00 41.66 N ATOM 394 CA THR A 61 35.762 -12.609 8.972 1.00 48.65 C ATOM 395 C THR A 61 36.551 -11.969 7.832 1.00 49.67 C ATOM 396 O THR A 61 35.953 -11.319 6.964 1.00 42.78 O ATOM 397 CB THR A 61 35.830 -11.751 10.213 1.00 46.08 C ATOM 398 OG1 THR A 61 34.993 -12.366 11.202 1.00 47.80 O ATOM 399 CG2 THR A 61 35.357 -10.338 9.910 1.00 41.98 C ATOM 400 HG1 THR A 61 35.325 -13.279 11.391 1.00 0.00 H ATOM 401 H THR A 61 36.541 -14.167 10.262 1.00 0.00 H ATOM 402 N VAL A 62 37.892 -12.065 7.864 1.00 38.90 N ATOM 403 CA VAL A 62 38.702 -11.537 6.768 1.00 56.93 C ATOM 404 C VAL A 62 38.328 -12.228 5.463 1.00 53.81 C ATOM 405 O VAL A 62 38.137 -11.586 4.425 1.00 48.74 O ATOM 406 CB VAL A 62 40.213 -11.713 7.045 1.00 57.84 C ATOM 407 CG1 VAL A 62 41.001 -11.281 5.790 1.00 40.61 C ATOM 408 CG2 VAL A 62 40.689 -10.955 8.292 1.00 44.68 C ATOM 409 H VAL A 62 38.357 -12.519 8.676 1.00 0.00 H ATOM 410 N ASP A 63 38.275 -13.557 5.476 1.00 46.55 N ATOM 411 CA ASP A 63 37.971 -14.260 4.242 1.00 45.96 C ATOM 412 C ASP A 63 36.595 -13.867 3.720 1.00 48.18 C ATOM 413 O ASP A 63 36.401 -13.725 2.505 1.00 41.22 O ATOM 414 CB ASP A 63 38.057 -15.758 4.450 1.00 42.36 C ATOM 415 CG ASP A 63 38.158 -16.522 3.125 1.00 46.73 C ATOM 416 OD1 ASP A 63 37.367 -17.484 2.972 1.00 48.11 O ATOM 417 OD2 ASP A 63 39.017 -16.184 2.253 1.00 45.54 O ATOM 418 H ASP A 63 38.448 -14.084 6.356 1.00 0.00 H ATOM 419 N PHE A 64 35.633 -13.662 4.622 1.00 43.68 N ATOM 420 CA PHE A 64 34.313 -13.234 4.182 1.00 50.14 C ATOM 421 C PHE A 64 34.372 -11.854 3.564 1.00 57.08 C ATOM 422 O PHE A 64 33.738 -11.607 2.533 1.00 51.55 O ATOM 423 CB PHE A 64 33.333 -13.259 5.351 1.00 46.42 C ATOM 424 CG PHE A 64 32.862 -14.639 5.702 1.00 52.33 C ATOM 425 CD1 PHE A 64 32.490 -15.529 4.696 1.00 45.27 C ATOM 426 CD2 PHE A 64 32.799 -15.049 7.024 1.00 52.37 C ATOM 427 CE1 PHE A 64 32.066 -16.816 5.008 1.00 48.23 C ATOM 428 CE2 PHE A 64 32.383 -16.322 7.354 1.00 46.20 C ATOM 429 CZ PHE A 64 32.014 -17.210 6.360 1.00 40.49 C ATOM 430 H PHE A 64 35.825 -13.807 5.634 1.00 0.00 H ATOM 431 N PHE A 65 35.121 -10.935 4.186 1.00 50.15 N ATOM 432 CA PHE A 65 35.324 -9.612 3.591 1.00 45.63 C ATOM 433 C PHE A 65 35.911 -9.717 2.191 1.00 44.65 C ATOM 434 O PHE A 65 35.503 -8.990 1.277 1.00 50.40 O ATOM 435 CB PHE A 65 36.250 -8.788 4.476 1.00 45.60 C ATOM 436 CG PHE A 65 36.722 -7.511 3.855 1.00 48.30 C ATOM 437 CD1 PHE A 65 35.897 -6.400 3.819 1.00 53.05 C ATOM 438 CD2 PHE A 65 38.018 -7.410 3.364 1.00 59.25 C ATOM 439 CE1 PHE A 65 36.354 -5.208 3.285 1.00 64.05 C ATOM 440 CE2 PHE A 65 38.495 -6.220 2.823 1.00 61.37 C ATOM 441 CZ PHE A 65 37.664 -5.119 2.773 1.00 60.63 C ATOM 442 H PHE A 65 35.563 -11.162 5.100 1.00 0.00 H ATOM 443 N ASN A 66 36.881 -10.615 2.011 1.00 45.89 N ATOM 444 CA ASN A 66 37.539 -10.756 0.721 1.00 50.18 C ATOM 445 C ASN A 66 36.584 -11.341 -0.315 1.00 42.56 C ATOM 446 O ASN A 66 36.444 -10.791 -1.413 1.00 45.42 O ATOM 447 CB ASN A 66 38.798 -11.627 0.861 1.00 46.38 C ATOM 448 CG ASN A 66 40.017 -10.848 1.393 1.00 47.70 C ATOM 449 OD1 ASN A 66 40.141 -9.648 1.189 1.00 56.71 O ATOM 450 ND2 ASN A 66 40.929 -11.547 2.055 1.00 40.63 N ATOM 451 HD22 ASN A 66 40.791 -12.566 2.210 1.00 0.00 H ATOM 452 HD21 ASN A 66 41.782 -11.076 2.419 1.00 0.00 H ATOM 453 H ASN A 66 37.171 -11.223 2.804 1.00 0.00 H ATOM 454 N GLN A 67 35.922 -12.463 0.013 1.00 42.83 N ATOM 455 CA GLN A 67 34.922 -13.054 -0.889 1.00 46.59 C ATOM 456 C GLN A 67 33.876 -12.026 -1.295 1.00 50.09 C ATOM 457 O GLN A 67 33.763 -11.661 -2.472 1.00 50.48 O ATOM 458 CB GLN A 67 34.239 -14.235 -0.196 1.00 39.42 C ATOM 459 CG GLN A 67 35.120 -15.498 -0.145 1.00 42.44 C ATOM 460 CD GLN A 67 35.095 -16.230 -1.480 1.00 50.62 C ATOM 461 OE1 GLN A 67 34.413 -15.808 -2.393 1.00 53.71 O ATOM 462 NE2 GLN A 67 35.875 -17.284 -1.615 1.00 40.17 N ATOM 463 HE22 GLN A 67 36.444 -17.616 -0.811 1.00 0.00 H ATOM 464 HE21 GLN A 67 35.921 -17.784 -2.526 1.00 0.00 H ATOM 465 H GLN A 67 36.121 -12.923 0.924 1.00 0.00 H ATOM 466 N ILE A 68 33.173 -11.465 -0.304 1.00 47.78 N ATOM 467 CA ILE A 68 32.138 -10.490 -0.600 1.00 48.23 C ATOM 468 C ILE A 68 32.725 -9.297 -1.353 1.00 48.88 C ATOM 469 O ILE A 68 32.046 -8.687 -2.191 1.00 49.79 O ATOM 470 CB ILE A 68 31.407 -10.071 0.695 1.00 48.99 C ATOM 471 CG1 ILE A 68 30.256 -9.166 0.328 1.00 52.17 C ATOM 472 CG2 ILE A 68 32.300 -9.222 1.556 1.00 63.22 C ATOM 473 CD1 ILE A 68 29.199 -9.891 -0.496 1.00 65.31 C ATOM 474 H ILE A 68 33.369 -11.728 0.683 1.00 0.00 H ATOM 475 N ASN A 69 33.994 -8.958 -1.112 1.00 43.90 N ATOM 476 CA ASN A 69 34.549 -7.847 -1.879 1.00 45.60 C ATOM 477 C ASN A 69 34.678 -8.204 -3.352 1.00 61.26 C ATOM 478 O ASN A 69 34.457 -7.349 -4.214 1.00 48.36 O ATOM 479 CB ASN A 69 35.907 -7.414 -1.338 1.00 45.42 C ATOM 480 CG ASN A 69 36.327 -6.049 -1.867 1.00 62.22 C ATOM 481 OD1 ASN A 69 35.563 -5.104 -1.798 1.00 67.68 O ATOM 482 ND2 ASN A 69 37.525 -5.952 -2.414 1.00 68.23 N ATOM 483 HD22 ASN A 69 38.148 -6.784 -2.453 1.00 0.00 H ATOM 484 HD21 ASN A 69 37.846 -5.044 -2.806 1.00 0.00 H ATOM 485 H ASN A 69 34.564 -9.466 -0.406 1.00 0.00 H ATOM 486 N MET A 70 35.044 -9.453 -3.663 1.00 57.22 N ATOM 487 CA MET A 70 35.205 -9.823 -5.071 1.00 55.46 C ATOM 488 C MET A 70 33.871 -10.191 -5.722 1.00 58.97 C ATOM 489 O MET A 70 33.647 -9.891 -6.909 1.00 62.92 O ATOM 490 CB MET A 70 36.212 -10.962 -5.201 1.00 56.77 C ATOM 491 CG MET A 70 37.545 -10.647 -4.546 1.00 54.35 C ATOM 492 SD MET A 70 38.534 -9.580 -5.613 1.00 67.55 S ATOM 493 CE MET A 70 38.598 -8.127 -4.618 1.00 68.19 C ATOM 494 H MET A 70 35.212 -10.154 -2.913 1.00 0.00 H ATOM 495 N LEU A 71 32.982 -10.852 -4.968 1.00 46.28 N ATOM 496 CA LEU A 71 31.617 -11.059 -5.441 1.00 52.45 C ATOM 497 C LEU A 71 30.976 -9.731 -5.868 1.00 62.80 C ATOM 498 O LEU A 71 30.523 -9.589 -7.008 1.00 61.47 O ATOM 499 CB LEU A 71 30.787 -11.768 -4.360 1.00 55.55 C ATOM 500 CG LEU A 71 30.998 -13.278 -4.246 1.00 53.85 C ATOM 501 CD1 LEU A 71 30.318 -13.852 -3.023 1.00 44.96 C ATOM 502 CD2 LEU A 71 30.492 -13.956 -5.525 1.00 51.56 C ATOM 503 H LEU A 71 33.267 -11.220 -4.038 1.00 0.00 H ATOM 504 N TYR A 72 30.970 -8.722 -4.988 1.00 53.59 N ATOM 505 CA TYR A 72 30.422 -7.422 -5.411 1.00 62.48 C ATOM 506 C TYR A 72 31.211 -6.834 -6.578 1.00 64.59 C ATOM 507 O TYR A 72 30.644 -6.138 -7.437 1.00 68.24 O ATOM 508 CB TYR A 72 30.405 -6.426 -4.251 1.00 53.21 C ATOM 509 CG TYR A 72 29.869 -5.045 -4.609 1.00 61.54 C ATOM 510 CD1 TYR A 72 28.529 -4.852 -4.899 1.00 59.27 C ATOM 511 CD2 TYR A 72 30.710 -3.926 -4.628 1.00 67.84 C ATOM 512 CE1 TYR A 72 28.047 -3.616 -5.225 1.00 66.69 C ATOM 513 CE2 TYR A 72 30.220 -2.663 -4.949 1.00 70.18 C ATOM 514 CZ TYR A 72 28.885 -2.514 -5.244 1.00 70.89 C ATOM 515 OH TYR A 72 28.356 -1.275 -5.576 1.00 76.72 O ATOM 516 HH TYR A 72 27.387 -1.368 -5.754 1.00 0.00 H ATOM 517 H TYR A 72 31.344 -8.853 -4.027 1.00 0.00 H ATOM 518 N GLY A 73 32.516 -7.102 -6.625 1.00 55.14 N ATOM 519 CA GLY A 73 33.346 -6.598 -7.699 1.00 54.32 C ATOM 520 C GLY A 73 32.996 -7.163 -9.052 1.00 55.87 C ATOM 521 O GLY A 73 33.290 -6.530 -10.072 1.00 61.17 O ATOM 522 H GLY A 73 32.945 -7.683 -5.877 1.00 0.00 H ATOM 523 N THR A 74 32.365 -8.333 -9.093 1.00 55.05 N ATOM 524 CA THR A 74 31.948 -8.869 -10.384 1.00 63.00 C ATOM 525 C THR A 74 30.720 -8.145 -10.947 1.00 69.57 C ATOM 526 O THR A 74 30.589 -8.015 -12.167 1.00 71.79 O ATOM 527 CB THR A 74 31.684 -10.368 -10.264 1.00 59.47 C ATOM 528 OG1 THR A 74 30.580 -10.586 -9.391 1.00 66.40 O ATOM 529 CG2 THR A 74 32.901 -11.092 -9.674 1.00 53.39 C ATOM 530 HG1 THR A 74 30.789 -10.214 -8.498 1.00 0.00 H ATOM 531 H THR A 74 32.172 -8.859 -8.217 1.00 0.00 H ATOM 532 N ILE A 75 29.799 -7.683 -10.097 1.00 73.08 N ATOM 533 CA ILE A 75 28.596 -6.979 -10.564 1.00 66.01 C ATOM 534 C ILE A 75 28.743 -5.459 -10.477 1.00 73.54 C ATOM 535 O ILE A 75 27.750 -4.732 -10.639 1.00 73.48 O ATOM 536 CB ILE A 75 27.327 -7.453 -9.832 1.00 66.98 C ATOM 537 CG1 ILE A 75 27.489 -7.345 -8.316 1.00 69.60 C ATOM 538 CG2 ILE A 75 26.983 -8.870 -10.237 1.00 65.17 C ATOM 539 CD1 ILE A 75 26.896 -6.080 -7.742 1.00 66.00 C ATOM 540 H ILE A 75 29.937 -7.825 -9.076 1.00 0.00 H ATOM 541 N THR A 76 29.951 -4.967 -10.174 1.00 83.94 N ATOM 542 CA THR A 76 30.181 -3.542 -9.934 1.00 73.02 C ATOM 543 C THR A 76 29.633 -2.647 -11.044 1.00 84.00 C ATOM 544 O THR A 76 29.163 -1.536 -10.770 1.00 90.96 O ATOM 545 CB THR A 76 31.683 -3.292 -9.735 1.00 72.91 C ATOM 546 OG1 THR A 76 31.864 -2.077 -9.008 1.00 94.84 O ATOM 547 CG2 THR A 76 32.429 -3.174 -11.069 1.00 81.36 C ATOM 548 HG1 THR A 76 32.832 -1.913 -8.878 1.00 0.00 H ATOM 549 H THR A 76 30.756 -5.622 -10.107 1.00 0.00 H ATOM 550 N GLU A 77 29.654 -3.105 -12.292 1.00 84.50 N ATOM 551 CA GLU A 77 29.251 -2.214 -13.365 1.00 79.97 C ATOM 552 C GLU A 77 27.734 -2.042 -13.448 1.00 84.61 C ATOM 553 O GLU A 77 27.273 -1.096 -14.101 1.00 79.49 O ATOM 554 CB GLU A 77 29.788 -2.722 -14.698 1.00 79.49 C ATOM 555 CG GLU A 77 28.839 -3.694 -15.369 1.00 93.60 C ATOM 556 CD GLU A 77 29.335 -4.172 -16.703 1.00100.76 C ATOM 557 OE1 GLU A 77 30.367 -4.883 -16.706 1.00105.29 O ATOM 558 OE2 GLU A 77 28.696 -3.832 -17.737 1.00 97.61 O ATOM 559 H GLU A 77 29.953 -4.080 -12.495 1.00 0.00 H ATOM 560 N PHE A 78 26.945 -2.940 -12.836 1.00 80.50 N ATOM 561 CA PHE A 78 25.489 -2.795 -12.860 1.00 76.17 C ATOM 562 C PHE A 78 24.937 -2.040 -11.669 1.00 74.19 C ATOM 563 O PHE A 78 23.763 -1.653 -11.697 1.00 94.16 O ATOM 564 CB PHE A 78 24.808 -4.160 -12.941 1.00 74.51 C ATOM 565 CG PHE A 78 25.404 -5.043 -13.968 1.00 79.65 C ATOM 566 CD1 PHE A 78 26.348 -5.987 -13.608 1.00 74.57 C ATOM 567 CD2 PHE A 78 25.054 -4.902 -15.307 1.00 74.67 C ATOM 568 CE1 PHE A 78 26.928 -6.801 -14.566 1.00 80.71 C ATOM 569 CE2 PHE A 78 25.620 -5.699 -16.268 1.00 75.54 C ATOM 570 CZ PHE A 78 26.568 -6.657 -15.903 1.00 79.63 C ATOM 571 H PHE A 78 27.373 -3.747 -12.340 1.00 0.00 H ATOM 572 N CYS A 79 25.757 -1.801 -10.651 1.00 72.51 N ATOM 573 CA CYS A 79 25.353 -1.081 -9.456 1.00 74.30 C ATOM 574 C CYS A 79 25.913 0.328 -9.543 1.00 79.63 C ATOM 575 O CYS A 79 27.117 0.543 -9.374 1.00 93.87 O ATOM 576 CB CYS A 79 25.851 -1.798 -8.210 1.00 79.08 C ATOM 577 SG CYS A 79 25.421 -0.976 -6.718 1.00 80.55 S ATOM 578 H CYS A 79 26.736 -2.146 -10.713 1.00 0.00 H ATOM 579 N THR A 80 25.032 1.286 -9.798 1.00 89.65 N ATOM 580 CA THR A 80 25.435 2.646 -10.106 1.00 95.62 C ATOM 581 C THR A 80 24.522 3.604 -9.368 1.00 88.16 C ATOM 582 O THR A 80 23.429 3.234 -8.928 1.00 81.60 O ATOM 583 CB THR A 80 25.374 2.942 -11.612 1.00 92.04 C ATOM 584 OG1 THR A 80 24.007 2.955 -12.050 1.00 99.29 O ATOM 585 CG2 THR A 80 26.142 1.892 -12.397 1.00 90.46 C ATOM 586 HG1 THR A 80 23.975 3.146 -13.021 1.00 0.00 H ATOM 587 H THR A 80 24.018 1.055 -9.777 1.00 0.00 H ATOM 588 N GLU A 81 24.981 4.854 -9.255 1.00 91.08 N ATOM 589 CA GLU A 81 24.130 5.887 -8.684 1.00 89.43 C ATOM 590 C GLU A 81 22.788 5.928 -9.390 1.00 91.20 C ATOM 591 O GLU A 81 21.767 6.198 -8.749 1.00104.31 O ATOM 592 CB GLU A 81 24.824 7.244 -8.744 1.00 89.90 C ATOM 593 CG GLU A 81 26.338 7.206 -8.426 1.00 98.85 C ATOM 594 CD GLU A 81 26.666 7.012 -6.943 1.00105.92 C ATOM 595 OE1 GLU A 81 27.288 7.921 -6.342 1.00114.07 O ATOM 596 OE2 GLU A 81 26.350 5.931 -6.395 1.00107.84 O ATOM 597 H GLU A 81 25.943 5.088 -9.574 1.00 0.00 H ATOM 598 N ALA A 82 22.763 5.592 -10.689 1.00 85.17 N ATOM 599 CA ALA A 82 21.533 5.618 -11.477 1.00 92.67 C ATOM 600 C ALA A 82 20.646 4.400 -11.217 1.00 87.89 C ATOM 601 O ALA A 82 19.419 4.527 -11.120 1.00 92.21 O ATOM 602 CB ALA A 82 21.878 5.711 -12.959 1.00 87.75 C ATOM 603 H ALA A 82 23.649 5.303 -11.150 1.00 0.00 H ATOM 604 N SER A 83 21.241 3.208 -11.141 1.00 81.38 N ATOM 605 CA SER A 83 20.460 2.003 -10.866 1.00 84.66 C ATOM 606 C SER A 83 19.987 1.948 -9.408 1.00 90.72 C ATOM 607 O SER A 83 18.848 1.556 -9.133 1.00 95.19 O ATOM 608 CB SER A 83 21.279 0.756 -11.221 1.00 78.40 C ATOM 609 OG SER A 83 22.095 0.313 -10.142 1.00 84.17 O ATOM 610 HG SER A 83 22.601 -0.491 -10.421 1.00 0.00 H ATOM 611 H SER A 83 22.269 3.136 -11.279 1.00 0.00 H ATOM 612 N CYS A 84 20.832 2.338 -8.457 1.00 79.13 N ATOM 613 CA CYS A 84 20.553 2.134 -7.033 1.00 83.88 C ATOM 614 C CYS A 84 20.739 3.434 -6.253 1.00 86.32 C ATOM 615 O CYS A 84 21.767 3.631 -5.591 1.00 78.59 O ATOM 616 CB CYS A 84 21.417 0.995 -6.473 1.00 74.37 C ATOM 617 SG CYS A 84 21.165 -0.581 -7.370 1.00 72.41 S ATOM 618 H CYS A 84 21.720 2.803 -8.734 1.00 0.00 H ATOM 619 N PRO A 85 19.732 4.327 -6.293 1.00 81.33 N ATOM 620 CA PRO A 85 19.864 5.623 -5.607 1.00 86.14 C ATOM 621 C PRO A 85 19.907 5.515 -4.091 1.00 87.22 C ATOM 622 O PRO A 85 20.241 6.508 -3.433 1.00 88.59 O ATOM 623 CB PRO A 85 18.617 6.398 -6.079 1.00 86.45 C ATOM 624 CG PRO A 85 17.616 5.354 -6.358 1.00 84.98 C ATOM 625 CD PRO A 85 18.388 4.149 -6.868 1.00 82.05 C ATOM 626 N VAL A 86 19.544 4.370 -3.506 1.00 81.61 N ATOM 627 CA VAL A 86 19.704 4.138 -2.074 1.00 85.84 C ATOM 628 C VAL A 86 20.221 2.720 -1.849 1.00 83.02 C ATOM 629 O VAL A 86 20.169 1.865 -2.740 1.00 83.61 O ATOM 630 CB VAL A 86 18.385 4.348 -1.293 1.00 83.72 C ATOM 631 CG1 VAL A 86 17.787 5.708 -1.601 1.00 90.97 C ATOM 632 CG2 VAL A 86 17.381 3.239 -1.612 1.00 80.38 C ATOM 633 H VAL A 86 19.132 3.616 -4.093 1.00 0.00 H ATOM 634 N MET A 87 20.711 2.461 -0.635 1.00 81.95 N ATOM 635 CA MET A 87 21.058 1.089 -0.280 1.00 76.55 C ATOM 636 C MET A 87 19.793 0.338 0.063 1.00 84.48 C ATOM 637 O MET A 87 19.152 0.638 1.075 1.00 87.42 O ATOM 638 CB MET A 87 21.995 1.006 0.913 1.00 73.03 C ATOM 639 CG MET A 87 23.344 0.712 0.466 1.00 82.99 C ATOM 640 SD MET A 87 23.648 -0.989 -0.008 1.00 81.53 S ATOM 641 CE MET A 87 23.312 -1.917 1.483 1.00 86.97 C ATOM 642 H MET A 87 20.844 3.230 0.052 1.00 0.00 H ATOM 643 N SER A 88 19.481 -0.681 -0.729 1.00 71.67 N ATOM 644 CA SER A 88 18.238 -1.423 -0.608 1.00 71.46 C ATOM 645 C SER A 88 18.533 -2.906 -0.483 1.00 83.72 C ATOM 646 O SER A 88 19.470 -3.417 -1.106 1.00 76.25 O ATOM 647 CB SER A 88 17.339 -1.172 -1.827 1.00 80.21 C ATOM 648 OG SER A 88 18.018 -1.481 -3.030 1.00 81.05 O ATOM 649 HG SER A 88 18.284 -2.435 -3.022 1.00 0.00 H ATOM 650 H SER A 88 20.156 -0.960 -1.469 1.00 0.00 H ATOM 651 N ALA A 89 17.779 -3.588 0.374 1.00 90.84 N ATOM 652 CA ALA A 89 17.577 -5.026 0.229 1.00 72.83 C ATOM 653 C ALA A 89 16.076 -5.203 0.027 1.00 74.84 C ATOM 654 O ALA A 89 15.329 -5.359 0.997 1.00 91.90 O ATOM 655 CB ALA A 89 18.094 -5.765 1.458 1.00 66.10 C ATOM 656 H ALA A 89 17.324 -3.087 1.163 1.00 0.00 H ATOM 657 N GLY A 90 15.645 -5.250 -1.237 1.00 72.33 N ATOM 658 CA GLY A 90 14.243 -5.085 -1.553 1.00 82.45 C ATOM 659 C GLY A 90 13.707 -3.703 -1.202 1.00 86.31 C ATOM 660 O GLY A 90 14.406 -2.858 -0.636 1.00 91.86 O ATOM 661 H GLY A 90 16.328 -5.408 -2.005 1.00 0.00 H ATOM 662 N PRO A 91 12.438 -3.446 -1.536 1.00 80.90 N ATOM 663 CA PRO A 91 11.818 -2.178 -1.126 1.00 79.78 C ATOM 664 C PRO A 91 11.469 -2.114 0.357 1.00 81.31 C ATOM 665 O PRO A 91 11.131 -1.025 0.851 1.00 89.41 O ATOM 666 CB PRO A 91 10.564 -2.091 -2.021 1.00 83.38 C ATOM 667 CG PRO A 91 10.220 -3.521 -2.301 1.00 82.25 C ATOM 668 CD PRO A 91 11.471 -4.354 -2.179 1.00 73.56 C ATOM 669 N ARG A 92 11.463 -3.250 1.060 1.00 77.41 N ATOM 670 CA ARG A 92 11.123 -3.242 2.475 1.00 81.02 C ATOM 671 C ARG A 92 12.289 -2.816 3.351 1.00 85.13 C ATOM 672 O ARG A 92 12.054 -2.434 4.498 1.00 84.96 O ATOM 673 CB ARG A 92 10.624 -4.621 2.912 1.00 83.27 C ATOM 674 H ARG A 92 11.703 -4.147 0.592 1.00 0.00 H ATOM 675 N TYR A 93 13.530 -2.844 2.842 1.00 83.64 N ATOM 676 CA TYR A 93 14.690 -2.535 3.669 1.00 82.03 C ATOM 677 C TYR A 93 15.637 -1.572 2.960 1.00 83.90 C ATOM 678 O TYR A 93 16.001 -1.774 1.796 1.00 90.68 O ATOM 679 CB TYR A 93 15.434 -3.826 4.072 1.00 81.92 C ATOM 680 CG TYR A 93 14.552 -4.894 4.715 1.00 85.62 C ATOM 681 CD1 TYR A 93 14.368 -4.937 6.092 1.00 75.84 C ATOM 682 CD2 TYR A 93 13.911 -5.867 3.933 1.00 76.84 C ATOM 683 CE1 TYR A 93 13.577 -5.913 6.678 1.00 73.87 C ATOM 684 CE2 TYR A 93 13.114 -6.849 4.514 1.00 75.15 C ATOM 685 CZ TYR A 93 12.962 -6.865 5.894 1.00 83.85 C ATOM 686 OH TYR A 93 12.184 -7.830 6.488 1.00 96.21 O ATOM 687 HH TYR A 93 12.185 -7.695 7.469 1.00 0.00 H ATOM 688 H TYR A 93 13.667 -3.090 1.841 1.00 0.00 H ATOM 689 N GLU A 94 16.048 -0.532 3.688 1.00 81.47 N ATOM 690 CA GLU A 94 16.954 0.491 3.190 1.00 78.13 C ATOM 691 C GLU A 94 18.019 0.762 4.251 1.00 79.93 C ATOM 692 O GLU A 94 17.767 0.623 5.450 1.00 87.88 O ATOM 693 CB GLU A 94 16.151 1.746 2.824 1.00 82.69 C ATOM 694 CG GLU A 94 16.929 3.006 2.554 1.00 89.47 C ATOM 695 CD GLU A 94 16.007 4.140 2.163 1.00 99.72 C ATOM 696 OE1 GLU A 94 16.484 5.281 1.967 1.00108.71 O ATOM 697 OE2 GLU A 94 14.790 3.880 2.049 1.00108.45 O ATOM 698 H GLU A 94 15.702 -0.448 4.665 1.00 0.00 H ATOM 699 N TYR A 95 19.223 1.124 3.814 1.00 79.85 N ATOM 700 CA TYR A 95 20.327 1.304 4.744 1.00 76.27 C ATOM 701 C TYR A 95 20.988 2.662 4.560 1.00 82.99 C ATOM 702 O TYR A 95 21.301 3.077 3.436 1.00 84.83 O ATOM 703 CB TYR A 95 21.374 0.199 4.592 1.00 77.81 C ATOM 704 CG TYR A 95 20.819 -1.193 4.787 1.00 73.72 C ATOM 705 CD1 TYR A 95 20.675 -1.727 6.065 1.00 71.63 C ATOM 706 CD2 TYR A 95 20.475 -1.991 3.691 1.00 76.05 C ATOM 707 CE1 TYR A 95 20.187 -3.004 6.251 1.00 72.99 C ATOM 708 CE2 TYR A 95 19.986 -3.280 3.868 1.00 70.40 C ATOM 709 CZ TYR A 95 19.847 -3.777 5.149 1.00 78.10 C ATOM 710 OH TYR A 95 19.369 -5.052 5.336 1.00 90.47 O ATOM 711 HH TYR A 95 19.331 -5.250 6.305 1.00 0.00 H ATOM 712 H TYR A 95 19.376 1.280 2.797 1.00 0.00 H ATOM 713 N HIS A 96 21.201 3.345 5.685 1.00 89.50 N ATOM 714 CA HIS A 96 21.906 4.615 5.721 1.00 87.83 C ATOM 715 C HIS A 96 23.181 4.464 6.529 1.00 83.81 C ATOM 716 O HIS A 96 23.208 3.762 7.542 1.00 86.51 O ATOM 717 CB HIS A 96 21.043 5.692 6.327 1.00 87.78 C ATOM 718 CG HIS A 96 19.669 5.749 5.736 1.00 97.61 C ATOM 719 ND1 HIS A 96 19.423 6.250 4.473 1.00106.82 N ATOM 720 CD2 HIS A 96 18.466 5.354 6.222 1.00106.29 C ATOM 721 CE1 HIS A 96 18.129 6.179 4.215 1.00105.74 C ATOM 722 NE2 HIS A 96 17.525 5.635 5.259 1.00103.67 N ATOM 723 H HIS A 96 20.846 2.950 6.579 1.00 0.00 H ATOM 724 N TRP A 97 24.228 5.145 6.077 1.00 90.61 N ATOM 725 CA TRP A 97 25.575 4.934 6.584 1.00 87.21 C ATOM 726 C TRP A 97 25.886 5.779 7.814 1.00 87.76 C ATOM 727 O TRP A 97 25.708 7.000 7.795 1.00 95.96 O ATOM 728 CB TRP A 97 26.602 5.252 5.503 1.00 90.59 C ATOM 729 CG TRP A 97 27.961 4.999 6.030 1.00 93.41 C ATOM 730 CD1 TRP A 97 28.960 5.911 6.249 1.00 96.80 C ATOM 731 CD2 TRP A 97 28.457 3.746 6.470 1.00 92.88 C ATOM 732 NE1 TRP A 97 30.060 5.283 6.778 1.00 90.89 N ATOM 733 CE2 TRP A 97 29.776 3.950 6.919 1.00 88.06 C ATOM 734 CE3 TRP A 97 27.922 2.455 6.505 1.00 92.60 C ATOM 735 CZ2 TRP A 97 30.562 2.914 7.400 1.00 78.85 C ATOM 736 CZ3 TRP A 97 28.698 1.438 6.981 1.00 79.15 C ATOM 737 CH2 TRP A 97 30.002 1.669 7.433 1.00 79.26 C ATOM 738 HE1 TRP A 97 30.959 5.742 7.030 1.00 0.00 H ATOM 739 H TRP A 97 24.079 5.856 5.333 1.00 0.00 H ATOM 740 N ALA A 98 26.396 5.128 8.861 1.00 92.30 N ATOM 741 CA ALA A 98 26.966 5.806 10.021 1.00 93.39 C ATOM 742 C ALA A 98 27.966 4.870 10.694 1.00 97.60 C ATOM 743 O ALA A 98 27.916 3.652 10.509 1.00 87.57 O ATOM 744 CB ALA A 98 25.876 6.240 11.004 1.00 99.44 C ATOM 745 H ALA A 98 26.387 4.088 8.850 1.00 0.00 H ATOM 746 N ASP A 99 28.877 5.453 11.481 1.00109.53 N ATOM 747 CA ASP A 99 29.802 4.658 12.312 1.00104.88 C ATOM 748 C ASP A 99 29.301 4.633 13.792 1.00105.96 C ATOM 749 O ASP A 99 29.045 3.544 14.301 1.00107.75 O ATOM 750 CB ASP A 99 31.272 5.129 12.188 1.00101.20 C ATOM 751 CG ASP A 99 31.541 5.913 10.914 1.00107.25 C ATOM 752 OD1 ASP A 99 30.571 6.309 10.235 1.00117.98 O ATOM 753 OD2 ASP A 99 32.726 6.143 10.590 1.00103.09 O ATOM 754 H ASP A 99 28.935 6.491 11.508 1.00 0.00 H ATOM 755 N GLY A 100 29.144 5.767 14.494 1.00113.24 N ATOM 756 CA GLY A 100 29.699 7.054 14.136 1.00114.79 C ATOM 757 C GLY A 100 31.059 7.350 14.726 1.00113.90 C ATOM 758 O GLY A 100 31.267 7.253 15.933 1.00106.48 O ATOM 759 H GLY A 100 28.578 5.716 15.365 1.00 0.00 H ATOM 760 N THR A 101 31.960 7.787 13.851 1.00119.55 N ATOM 761 CA THR A 101 33.226 8.413 14.202 1.00112.32 C ATOM 762 C THR A 101 33.369 9.622 13.288 1.00107.92 C ATOM 763 O THR A 101 33.276 10.771 13.728 1.00106.99 O ATOM 764 CB THR A 101 34.395 7.431 14.041 1.00103.94 C ATOM 765 H THR A 101 31.744 7.673 12.840 1.00 0.00 H ATOM 766 N ASN A 102 33.554 9.351 11.993 1.00115.25 N ATOM 767 CA ASN A 102 33.514 10.398 10.981 1.00112.37 C ATOM 768 C ASN A 102 32.082 10.783 10.611 1.00109.18 C ATOM 769 O ASN A 102 31.828 11.953 10.308 1.00115.07 O ATOM 770 CB ASN A 102 34.291 9.950 9.741 1.00108.95 C ATOM 771 H ASN A 102 33.731 8.369 11.700 1.00 0.00 H ATOM 772 N ILE A 103 31.144 9.831 10.619 1.00107.27 N ATOM 773 CA ILE A 103 29.720 10.101 10.398 1.00108.12 C ATOM 774 C ILE A 103 28.932 9.443 11.528 1.00108.16 C ATOM 775 O ILE A 103 28.791 8.215 11.553 1.00107.39 O ATOM 776 CB ILE A 103 29.237 9.583 9.030 1.00104.57 C ATOM 777 CG1 ILE A 103 29.775 10.446 7.881 1.00104.97 C ATOM 778 CG2 ILE A 103 27.713 9.530 8.966 1.00101.32 C ATOM 779 CD1 ILE A 103 31.110 9.994 7.325 1.00101.01 C ATOM 780 H ILE A 103 31.439 8.849 10.791 1.00 0.00 H ATOM 781 N LYS A 104 28.386 10.256 12.443 1.00110.52 N ATOM 782 CA LYS A 104 27.615 9.738 13.570 1.00110.45 C ATOM 783 C LYS A 104 26.104 9.720 13.347 1.00117.89 C ATOM 784 O LYS A 104 25.402 8.984 14.051 1.00119.31 O ATOM 785 CB LYS A 104 27.924 10.554 14.837 1.00103.62 C ATOM 786 H LYS A 104 28.515 11.284 12.348 1.00 0.00 H ATOM 787 N LYS A 105 25.589 10.474 12.374 1.00115.45 N ATOM 788 CA LYS A 105 24.160 10.498 12.084 1.00109.19 C ATOM 789 C LYS A 105 23.919 9.808 10.749 1.00112.47 C ATOM 790 O LYS A 105 24.521 10.223 9.744 1.00113.29 O ATOM 791 CB LYS A 105 23.634 11.930 12.050 1.00107.74 C ATOM 792 H LYS A 105 26.228 11.064 11.804 1.00 0.00 H ATOM 793 N PRO A 106 23.075 8.770 10.683 1.00108.48 N ATOM 794 CA PRO A 106 22.949 7.978 9.444 1.00110.49 C ATOM 795 C PRO A 106 22.616 8.837 8.225 1.00108.47 C ATOM 796 O PRO A 106 21.721 9.685 8.271 1.00103.97 O ATOM 797 CB PRO A 106 21.817 6.996 9.777 1.00108.15 C ATOM 798 CG PRO A 106 21.880 6.846 11.282 1.00 99.34 C ATOM 799 CD PRO A 106 22.272 8.208 11.790 1.00102.81 C ATOM 800 N ILE A 107 23.347 8.618 7.123 1.00103.64 N ATOM 801 CA ILE A 107 23.263 9.470 5.934 1.00 99.70 C ATOM 802 C ILE A 107 22.694 8.680 4.758 1.00104.91 C ATOM 803 O ILE A 107 23.236 7.630 4.372 1.00 93.74 O ATOM 804 CB ILE A 107 24.623 10.100 5.558 1.00 95.48 C ATOM 805 CG1 ILE A 107 25.663 9.049 5.171 1.00 95.51 C ATOM 806 CG2 ILE A 107 25.140 11.013 6.680 1.00104.87 C ATOM 807 CD1 ILE A 107 26.675 9.546 4.155 1.00 98.30 C ATOM 808 H ILE A 107 24.001 7.810 7.111 1.00 0.00 H ATOM 809 N LYS A 108 21.609 9.201 4.177 1.00112.49 N ATOM 810 CA LYS A 108 21.048 8.619 2.963 1.00 97.02 C ATOM 811 C LYS A 108 22.047 8.760 1.828 1.00 97.78 C ATOM 812 O LYS A 108 22.486 9.869 1.505 1.00105.88 O ATOM 813 CB LYS A 108 19.726 9.298 2.592 1.00 94.25 C ATOM 814 H LYS A 108 21.156 10.037 4.598 1.00 0.00 H ATOM 815 N CYS A 109 22.400 7.635 1.216 1.00 92.53 N ATOM 816 CA CYS A 109 23.312 7.646 0.088 1.00 86.68 C ATOM 817 C CYS A 109 22.981 6.471 -0.820 1.00 85.80 C ATOM 818 O CYS A 109 22.211 5.572 -0.464 1.00 86.78 O ATOM 819 CB CYS A 109 24.772 7.585 0.565 1.00 96.87 C ATOM 820 SG CYS A 109 25.186 6.148 1.624 1.00 92.61 S ATOM 821 H CYS A 109 22.015 6.729 1.552 1.00 0.00 H ATOM 822 N SER A 110 23.653 6.450 -1.963 1.00 86.06 N ATOM 823 CA SER A 110 23.506 5.421 -2.975 1.00 95.46 C ATOM 824 C SER A 110 24.148 4.112 -2.525 1.00 90.78 C ATOM 825 O SER A 110 25.030 4.076 -1.656 1.00 77.10 O ATOM 826 CB SER A 110 24.159 5.860 -4.279 1.00 93.26 C ATOM 827 OG SER A 110 25.558 6.039 -4.072 1.00 83.70 O ATOM 828 HG SER A 110 25.982 6.324 -4.920 1.00 0.00 H ATOM 829 H SER A 110 24.328 7.220 -2.145 1.00 0.00 H ATOM 830 N ALA A 111 23.703 3.024 -3.149 1.00 79.32 N ATOM 831 CA ALA A 111 24.269 1.725 -2.816 1.00 72.09 C ATOM 832 C ALA A 111 25.751 1.621 -3.148 1.00 74.95 C ATOM 833 O ALA A 111 26.499 1.090 -2.315 1.00 84.15 O ATOM 834 CB ALA A 111 23.467 0.616 -3.502 1.00 71.75 C ATOM 835 H ALA A 111 22.957 3.101 -3.869 1.00 0.00 H ATOM 836 N PRO A 112 26.240 2.088 -4.309 1.00 80.80 N ATOM 837 CA PRO A 112 27.704 2.108 -4.488 1.00 74.38 C ATOM 838 C PRO A 112 28.424 2.951 -3.448 1.00 73.88 C ATOM 839 O PRO A 112 29.387 2.464 -2.856 1.00 66.49 O ATOM 840 CB PRO A 112 27.869 2.683 -5.900 1.00 73.32 C ATOM 841 CG PRO A 112 26.588 2.362 -6.598 1.00 72.32 C ATOM 842 CD PRO A 112 25.533 2.443 -5.560 1.00 73.60 C ATOM 843 N LYS A 113 27.974 4.184 -3.178 1.00 81.43 N ATOM 844 CA LYS A 113 28.639 5.003 -2.164 1.00 80.08 C ATOM 845 C LYS A 113 28.600 4.325 -0.793 1.00 76.70 C ATOM 846 O LYS A 113 29.629 4.214 -0.113 1.00 69.99 O ATOM 847 CB LYS A 113 28.004 6.400 -2.108 1.00 79.10 C ATOM 848 H LYS A 113 27.150 4.560 -3.690 1.00 0.00 H ATOM 849 N TYR A 114 27.421 3.863 -0.368 1.00 79.79 N ATOM 850 CA TYR A 114 27.308 3.186 0.923 1.00 75.38 C ATOM 851 C TYR A 114 28.257 1.984 1.001 1.00 76.02 C ATOM 852 O TYR A 114 28.970 1.792 1.996 1.00 68.98 O ATOM 853 CB TYR A 114 25.849 2.762 1.162 1.00 70.51 C ATOM 854 CG TYR A 114 25.612 1.960 2.436 1.00 73.34 C ATOM 855 CD1 TYR A 114 24.978 2.543 3.533 1.00 68.99 C ATOM 856 CD2 TYR A 114 26.012 0.609 2.538 1.00 61.53 C ATOM 857 CE1 TYR A 114 24.772 1.824 4.707 1.00 77.00 C ATOM 858 CE2 TYR A 114 25.812 -0.110 3.710 1.00 64.42 C ATOM 859 CZ TYR A 114 25.193 0.504 4.786 1.00 73.12 C ATOM 860 OH TYR A 114 24.994 -0.220 5.930 1.00 71.18 O ATOM 861 HH TYR A 114 24.545 0.348 6.605 1.00 0.00 H ATOM 862 H TYR A 114 26.575 3.986 -0.961 1.00 0.00 H ATOM 863 N ILE A 115 28.266 1.147 -0.028 1.00 73.30 N ATOM 864 CA ILE A 115 29.117 -0.035 0.021 1.00 64.07 C ATOM 865 C ILE A 115 30.585 0.380 0.096 1.00 69.69 C ATOM 866 O ILE A 115 31.384 -0.229 0.825 1.00 58.42 O ATOM 867 CB ILE A 115 28.795 -0.946 -1.180 1.00 68.84 C ATOM 868 CG1 ILE A 115 27.437 -1.598 -0.947 1.00 65.05 C ATOM 869 CG2 ILE A 115 29.818 -2.046 -1.380 1.00 58.11 C ATOM 870 CD1 ILE A 115 26.896 -2.255 -2.164 1.00 66.02 C ATOM 871 H ILE A 115 27.672 1.332 -0.861 1.00 0.00 H ATOM 872 N ASP A 116 30.946 1.471 -0.595 1.00 71.93 N ATOM 873 CA ASP A 116 32.290 2.045 -0.470 1.00 70.98 C ATOM 874 C ASP A 116 32.612 2.377 0.977 1.00 61.09 C ATOM 875 O ASP A 116 33.649 1.960 1.506 1.00 67.51 O ATOM 876 CB ASP A 116 32.422 3.306 -1.333 1.00 77.00 C ATOM 877 CG ASP A 116 33.877 3.739 -1.533 1.00 88.58 C ATOM 878 OD1 ASP A 116 34.704 2.871 -1.882 1.00 87.15 O ATOM 879 OD2 ASP A 116 34.193 4.941 -1.359 1.00 98.65 O ATOM 880 H ASP A 116 30.258 1.920 -1.233 1.00 0.00 H ATOM 881 N TYR A 117 31.728 3.133 1.631 1.00 72.83 N ATOM 882 CA TYR A 117 31.924 3.500 3.031 1.00 74.15 C ATOM 883 C TYR A 117 32.028 2.254 3.911 1.00 68.45 C ATOM 884 O TYR A 117 32.894 2.164 4.794 1.00 65.88 O ATOM 885 CB TYR A 117 30.774 4.409 3.503 1.00 74.73 C ATOM 886 CG TYR A 117 30.855 5.896 3.137 1.00 91.40 C ATOM 887 CD1 TYR A 117 32.004 6.649 3.418 1.00 96.74 C ATOM 888 CD2 TYR A 117 29.762 6.561 2.555 1.00 87.94 C ATOM 889 CE1 TYR A 117 32.072 8.024 3.115 1.00 87.43 C ATOM 890 CE2 TYR A 117 29.823 7.930 2.250 1.00 94.93 C ATOM 891 CZ TYR A 117 30.985 8.652 2.530 1.00 97.94 C ATOM 892 OH TYR A 117 31.063 10.008 2.229 1.00110.09 O ATOM 893 HH TYR A 117 31.952 10.353 2.494 1.00 0.00 H ATOM 894 H TYR A 117 30.880 3.469 1.132 1.00 0.00 H ATOM 895 N LEU A 118 31.159 1.269 3.680 1.00 68.11 N ATOM 896 CA LEU A 118 31.217 0.061 4.496 1.00 63.23 C ATOM 897 C LEU A 118 32.511 -0.714 4.230 1.00 61.70 C ATOM 898 O LEU A 118 33.169 -1.194 5.161 1.00 63.23 O ATOM 899 CB LEU A 118 29.981 -0.804 4.237 1.00 70.06 C ATOM 900 CG LEU A 118 30.158 -2.252 4.672 1.00 62.78 C ATOM 901 CD1 LEU A 118 30.335 -2.164 6.146 1.00 60.08 C ATOM 902 CD2 LEU A 118 28.934 -3.045 4.393 1.00 57.28 C ATOM 903 H LEU A 118 30.448 1.361 2.927 1.00 0.00 H ATOM 904 N MET A 119 32.914 -0.814 2.969 1.00 58.49 N ATOM 905 CA MET A 119 34.092 -1.615 2.672 1.00 62.74 C ATOM 906 C MET A 119 35.362 -0.924 3.141 1.00 61.05 C ATOM 907 O MET A 119 36.281 -1.578 3.663 1.00 59.78 O ATOM 908 CB MET A 119 34.143 -1.924 1.182 1.00 56.77 C ATOM 909 CG MET A 119 33.010 -2.833 0.745 1.00 63.39 C ATOM 910 SD MET A 119 33.321 -4.510 1.336 1.00 76.99 S ATOM 911 CE MET A 119 31.819 -4.913 2.159 1.00 45.15 C ATOM 912 H MET A 119 32.397 -0.329 2.208 1.00 0.00 H ATOM 913 N THR A 120 35.446 0.393 2.942 1.00 58.13 N ATOM 914 CA THR A 120 36.586 1.137 3.467 1.00 60.77 C ATOM 915 C THR A 120 36.629 1.048 4.981 1.00 67.53 C ATOM 916 O THR A 120 37.707 0.964 5.581 1.00 73.10 O ATOM 917 CB THR A 120 36.521 2.604 3.047 1.00 70.43 C ATOM 918 OG1 THR A 120 36.513 2.711 1.616 1.00 77.88 O ATOM 919 CG2 THR A 120 37.722 3.331 3.608 1.00 66.10 C ATOM 920 HG1 THR A 120 35.723 2.235 1.255 1.00 0.00 H ATOM 921 H THR A 120 34.700 0.888 2.413 1.00 0.00 H ATOM 922 N TRP A 121 35.461 1.070 5.618 1.00 60.37 N ATOM 923 CA TRP A 121 35.428 1.001 7.068 1.00 69.44 C ATOM 924 C TRP A 121 35.846 -0.385 7.555 1.00 69.48 C ATOM 925 O TRP A 121 36.621 -0.503 8.513 1.00 78.22 O ATOM 926 CB TRP A 121 34.034 1.374 7.578 1.00 66.80 C ATOM 927 CG TRP A 121 33.837 1.226 9.050 1.00 59.09 C ATOM 928 CD1 TRP A 121 34.085 2.158 10.008 1.00 70.36 C ATOM 929 CD2 TRP A 121 33.352 0.060 9.739 1.00 58.10 C ATOM 930 NE1 TRP A 121 33.781 1.653 11.260 1.00 68.20 N ATOM 931 CE2 TRP A 121 33.336 0.363 11.117 1.00 60.45 C ATOM 932 CE3 TRP A 121 32.940 -1.214 9.322 1.00 58.62 C ATOM 933 CZ2 TRP A 121 32.905 -0.553 12.083 1.00 61.86 C ATOM 934 CZ3 TRP A 121 32.526 -2.132 10.289 1.00 58.29 C ATOM 935 CH2 TRP A 121 32.509 -1.791 11.654 1.00 58.48 C ATOM 936 HE1 TRP A 121 33.874 2.166 12.160 1.00 0.00 H ATOM 937 H TRP A 121 34.574 1.136 5.079 1.00 0.00 H ATOM 938 N VAL A 122 35.332 -1.451 6.929 1.00 56.51 N ATOM 939 CA VAL A 122 35.778 -2.787 7.320 1.00 51.03 C ATOM 940 C VAL A 122 37.288 -2.889 7.171 1.00 61.91 C ATOM 941 O VAL A 122 37.996 -3.283 8.106 1.00 63.62 O ATOM 942 CB VAL A 122 35.084 -3.889 6.505 1.00 58.94 C ATOM 943 CG1 VAL A 122 35.702 -5.258 6.919 1.00 62.02 C ATOM 944 CG2 VAL A 122 33.575 -3.897 6.739 1.00 56.77 C ATOM 945 H VAL A 122 34.626 -1.330 6.175 1.00 0.00 H ATOM 946 N GLN A 123 37.802 -2.524 5.988 1.00 61.20 N ATOM 947 CA GLN A 123 39.247 -2.518 5.766 1.00 59.06 C ATOM 948 C GLN A 123 39.982 -1.768 6.876 1.00 75.46 C ATOM 949 O GLN A 123 40.997 -2.250 7.398 1.00 64.25 O ATOM 950 CB GLN A 123 39.581 -1.895 4.416 1.00 60.00 C ATOM 951 CG GLN A 123 41.052 -2.012 4.088 1.00 66.35 C ATOM 952 CD GLN A 123 41.472 -3.455 3.944 1.00 70.48 C ATOM 953 OE1 GLN A 123 42.138 -4.016 4.821 1.00 68.79 O ATOM 954 NE2 GLN A 123 41.088 -4.070 2.829 1.00 75.63 N ATOM 955 HE22 GLN A 123 40.528 -3.557 2.119 1.00 0.00 H ATOM 956 HE21 GLN A 123 41.348 -5.064 2.668 1.00 0.00 H ATOM 957 H GLN A 123 37.164 -2.241 5.217 1.00 0.00 H ATOM 958 N ASP A 124 39.468 -0.594 7.262 1.00 72.85 N ATOM 959 CA ASP A 124 40.137 0.227 8.263 1.00 61.88 C ATOM 960 C ASP A 124 40.213 -0.488 9.602 1.00 69.41 C ATOM 961 O ASP A 124 41.191 -0.344 10.348 1.00 75.74 O ATOM 962 CB ASP A 124 39.414 1.560 8.409 1.00 69.58 C ATOM 963 CG ASP A 124 39.787 2.544 7.319 1.00 88.93 C ATOM 964 OD1 ASP A 124 40.680 2.214 6.504 1.00 91.87 O ATOM 965 OD2 ASP A 124 39.214 3.659 7.298 1.00101.38 O ATOM 966 H ASP A 124 38.577 -0.262 6.841 1.00 0.00 H ATOM 967 N GLN A 125 39.192 -1.265 9.927 1.00 75.33 N ATOM 968 CA GLN A 125 39.253 -2.031 11.156 1.00 66.92 C ATOM 969 C GLN A 125 40.209 -3.214 11.025 1.00 59.51 C ATOM 970 O GLN A 125 40.930 -3.513 11.980 1.00 60.56 O ATOM 971 CB GLN A 125 37.834 -2.446 11.567 1.00 63.35 C ATOM 972 CG GLN A 125 36.918 -1.242 11.784 1.00 67.94 C ATOM 973 CD GLN A 125 37.063 -0.674 13.177 1.00 89.45 C ATOM 974 OE1 GLN A 125 36.370 -1.098 14.096 1.00104.28 O ATOM 975 NE2 GLN A 125 37.992 0.265 13.353 1.00104.29 N ATOM 976 HE22 GLN A 125 38.557 0.595 12.545 1.00 0.00 H ATOM 977 HE21 GLN A 125 38.152 0.668 14.299 1.00 0.00 H ATOM 978 H GLN A 125 38.358 -1.325 9.309 1.00 0.00 H ATOM 979 N LEU A 126 40.297 -3.836 9.837 1.00 49.52 N ATOM 980 CA LEU A 126 41.237 -4.938 9.638 1.00 59.85 C ATOM 981 C LEU A 126 42.687 -4.493 9.719 1.00 65.26 C ATOM 982 O LEU A 126 43.550 -5.302 10.080 1.00 67.03 O ATOM 983 CB LEU A 126 41.025 -5.640 8.290 1.00 52.94 C ATOM 984 CG LEU A 126 39.635 -6.201 8.014 1.00 52.67 C ATOM 985 CD1 LEU A 126 39.556 -6.848 6.662 1.00 50.61 C ATOM 986 CD2 LEU A 126 39.249 -7.149 9.136 1.00 50.08 C ATOM 987 H LEU A 126 39.690 -3.530 9.050 1.00 0.00 H ATOM 988 N ASP A 127 42.975 -3.239 9.356 1.00 70.65 N ATOM 989 CA ASP A 127 44.311 -2.649 9.390 1.00 74.89 C ATOM 990 C ASP A 127 44.649 -2.049 10.750 1.00 82.21 C ATOM 991 O ASP A 127 45.711 -1.439 10.907 1.00 87.65 O ATOM 992 CB ASP A 127 44.445 -1.565 8.310 1.00 74.65 C ATOM 993 CG ASP A 127 44.538 -2.139 6.910 1.00 80.94 C ATOM 994 OD1 ASP A 127 44.914 -3.317 6.795 1.00 88.83 O ATOM 995 OD2 ASP A 127 44.228 -1.418 5.931 1.00 94.76 O ATOM 996 H ASP A 127 42.191 -2.640 9.026 1.00 0.00 H ATOM 997 N ASP A 128 43.751 -2.185 11.714 1.00 75.38 N ATOM 998 CA ASP A 128 43.919 -1.656 13.057 1.00 72.36 C ATOM 999 C ASP A 128 44.512 -2.765 13.923 1.00 68.54 C ATOM 1000 O ASP A 128 43.815 -3.714 14.293 1.00 67.79 O ATOM 1001 CB ASP A 128 42.551 -1.205 13.576 1.00 69.31 C ATOM 1002 CG ASP A 128 42.614 -0.549 14.925 1.00 62.47 C ATOM 1003 OD1 ASP A 128 43.656 -0.671 15.591 1.00 72.38 O ATOM 1004 OD2 ASP A 128 41.602 0.056 15.344 1.00 77.66 O ATOM 1005 H ASP A 128 42.874 -2.701 11.497 1.00 0.00 H ATOM 1006 N GLU A 129 45.783 -2.625 14.293 1.00 73.05 N ATOM 1007 CA GLU A 129 46.454 -3.719 14.994 1.00 70.08 C ATOM 1008 C GLU A 129 45.938 -3.925 16.417 1.00 76.91 C ATOM 1009 O GLU A 129 46.161 -4.997 17.002 1.00 67.61 O ATOM 1010 CB GLU A 129 47.948 -3.465 15.025 1.00 78.65 C ATOM 1011 CG GLU A 129 48.546 -3.585 13.666 1.00 89.31 C ATOM 1012 CD GLU A 129 49.241 -4.899 13.472 1.00 90.77 C ATOM 1013 OE1 GLU A 129 49.852 -5.068 12.402 1.00100.97 O ATOM 1014 OE2 GLU A 129 49.179 -5.752 14.383 1.00100.55 O ATOM 1015 H GLU A 129 46.295 -1.744 14.085 1.00 0.00 H ATOM 1016 N THR A 130 45.286 -2.909 17.004 1.00 67.61 N ATOM 1017 CA THR A 130 44.652 -3.115 18.300 1.00 76.33 C ATOM 1018 C THR A 130 43.511 -4.130 18.183 1.00 82.56 C ATOM 1019 O THR A 130 43.351 -4.984 19.064 1.00 87.94 O ATOM 1020 CB THR A 130 44.157 -1.783 18.896 1.00 76.33 C ATOM 1021 OG1 THR A 130 43.311 -1.098 17.971 1.00 79.68 O ATOM 1022 CG2 THR A 130 45.338 -0.863 19.185 1.00 67.44 C ATOM 1023 HG1 THR A 130 43.816 -0.909 17.141 1.00 0.00 H ATOM 1024 H THR A 130 45.234 -1.981 16.537 1.00 0.00 H ATOM 1025 N LEU A 131 42.731 -4.073 17.083 1.00 63.38 N ATOM 1026 CA LEU A 131 41.596 -4.981 16.880 1.00 63.38 C ATOM 1027 C LEU A 131 41.997 -6.330 16.285 1.00 64.79 C ATOM 1028 O LEU A 131 41.488 -7.372 16.712 1.00 67.37 O ATOM 1029 CB LEU A 131 40.533 -4.316 15.997 1.00 66.18 C ATOM 1030 CG LEU A 131 39.800 -3.130 16.648 1.00 69.43 C ATOM 1031 CD1 LEU A 131 38.840 -2.532 15.653 1.00 66.67 C ATOM 1032 CD2 LEU A 131 39.075 -3.529 17.959 1.00 68.04 C ATOM 1033 H LEU A 131 42.941 -3.361 16.354 1.00 0.00 H ATOM 1034 N PHE A 132 42.874 -6.336 15.286 1.00 64.15 N ATOM 1035 CA PHE A 132 43.287 -7.545 14.581 1.00 57.47 C ATOM 1036 C PHE A 132 44.793 -7.638 14.685 1.00 59.82 C ATOM 1037 O PHE A 132 45.530 -7.232 13.756 1.00 61.95 O ATOM 1038 CB PHE A 132 42.836 -7.519 13.126 1.00 56.51 C ATOM 1039 CG PHE A 132 41.328 -7.735 12.912 1.00 54.25 C ATOM 1040 CD1 PHE A 132 40.849 -8.984 12.464 1.00 53.37 C ATOM 1041 CD2 PHE A 132 40.409 -6.696 13.086 1.00 53.25 C ATOM 1042 CE1 PHE A 132 39.498 -9.205 12.210 1.00 53.24 C ATOM 1043 CE2 PHE A 132 39.038 -6.897 12.856 1.00 51.38 C ATOM 1044 CZ PHE A 132 38.581 -8.160 12.411 1.00 61.85 C ATOM 1045 H PHE A 132 43.289 -5.429 14.991 1.00 0.00 H ATOM 1046 N PRO A 133 45.326 -8.160 15.791 1.00 64.08 N ATOM 1047 CA PRO A 133 46.780 -8.161 15.972 1.00 67.22 C ATOM 1048 C PRO A 133 47.448 -9.093 14.967 1.00 68.65 C ATOM 1049 O PRO A 133 47.072 -10.262 14.842 1.00 67.94 O ATOM 1050 CB PRO A 133 46.986 -8.652 17.410 1.00 68.88 C ATOM 1051 CG PRO A 133 45.669 -9.125 17.889 1.00 62.78 C ATOM 1052 CD PRO A 133 44.593 -8.755 16.941 1.00 59.79 C ATOM 1053 N SER A 134 48.458 -8.579 14.266 1.00 65.99 N ATOM 1054 CA SER A 134 49.164 -9.482 13.371 1.00 68.53 C ATOM 1055 C SER A 134 50.262 -10.251 14.090 1.00 83.20 C ATOM 1056 O SER A 134 50.751 -11.247 13.547 1.00 83.76 O ATOM 1057 CB SER A 134 49.757 -8.740 12.180 1.00 72.63 C ATOM 1058 OG SER A 134 50.552 -7.652 12.577 1.00 79.05 O ATOM 1059 HG SER A 134 50.001 -7.014 13.095 1.00 0.00 H ATOM 1060 H SER A 134 48.729 -7.579 14.355 1.00 0.00 H ATOM 1061 N LYS A 135 50.640 -9.835 15.301 1.00 79.00 N ATOM 1062 CA LYS A 135 51.537 -10.640 16.122 1.00 76.79 C ATOM 1063 C LYS A 135 50.758 -11.773 16.790 1.00 72.66 C ATOM 1064 O LYS A 135 49.709 -11.543 17.403 1.00 76.98 O ATOM 1065 CB LYS A 135 52.254 -9.769 17.158 1.00 73.55 C ATOM 1066 CG LYS A 135 52.855 -8.491 16.571 1.00 75.69 C ATOM 1067 CD LYS A 135 53.383 -7.548 17.664 1.00 82.89 C ATOM 1068 CE LYS A 135 54.707 -6.885 17.319 1.00 80.62 C ATOM 1069 NZ LYS A 135 55.136 -5.969 18.433 1.00 81.43 N ATOM 1070 HZ1 LYS A 135 54.413 -5.234 18.574 1.00 0.00 H ATOM 1071 HZ2 LYS A 135 55.248 -6.519 19.309 1.00 0.00 H ATOM 1072 HZ3 LYS A 135 56.042 -5.523 18.184 1.00 0.00 H ATOM 1073 H LYS A 135 50.290 -8.925 15.664 1.00 0.00 H ATOM 1074 N ILE A 136 51.264 -13.003 16.645 1.00 71.46 N ATOM 1075 CA ILE A 136 50.497 -14.199 16.985 1.00 85.93 C ATOM 1076 C ILE A 136 50.296 -14.386 18.486 1.00 88.23 C ATOM 1077 O ILE A 136 49.406 -15.139 18.886 1.00 94.15 O ATOM 1078 CB ILE A 136 51.158 -15.461 16.389 1.00 80.63 C ATOM 1079 CG1 ILE A 136 52.499 -15.740 17.065 1.00 78.32 C ATOM 1080 CG2 ILE A 136 51.329 -15.330 14.889 1.00 80.38 C ATOM 1081 CD1 ILE A 136 53.230 -16.950 16.496 1.00 76.72 C ATOM 1082 H ILE A 136 52.232 -13.111 16.280 1.00 0.00 H ATOM 1083 N GLY A 137 51.088 -13.738 19.335 1.00 65.38 N ATOM 1084 CA GLY A 137 50.925 -13.847 20.770 1.00 62.97 C ATOM 1085 C GLY A 137 50.114 -12.751 21.453 1.00 59.89 C ATOM 1086 O GLY A 137 49.905 -12.819 22.671 1.00 62.58 O ATOM 1087 H GLY A 137 51.847 -13.135 18.958 1.00 0.00 H ATOM 1088 N VAL A 138 49.661 -11.749 20.715 1.00 60.51 N ATOM 1089 CA VAL A 138 48.943 -10.613 21.325 1.00 65.03 C ATOM 1090 C VAL A 138 47.472 -10.967 21.372 1.00 59.31 C ATOM 1091 O VAL A 138 46.876 -11.228 20.332 1.00 59.32 O ATOM 1092 CB VAL A 138 49.177 -9.344 20.496 1.00 64.03 C ATOM 1093 CG1 VAL A 138 48.362 -8.171 21.030 1.00 62.56 C ATOM 1094 CG2 VAL A 138 50.679 -8.974 20.479 1.00 69.82 C ATOM 1095 H VAL A 138 49.814 -11.763 19.686 1.00 0.00 H ATOM 1096 N PRO A 139 46.852 -11.023 22.577 1.00 61.20 N ATOM 1097 CA PRO A 139 45.414 -11.364 22.635 1.00 65.01 C ATOM 1098 C PRO A 139 44.552 -10.392 21.844 1.00 57.98 C ATOM 1099 O PRO A 139 44.885 -9.218 21.692 1.00 66.34 O ATOM 1100 CB PRO A 139 45.080 -11.278 24.138 1.00 63.83 C ATOM 1101 CG PRO A 139 46.384 -11.046 24.858 1.00 75.27 C ATOM 1102 CD PRO A 139 47.357 -10.501 23.849 1.00 65.29 C ATOM 1103 N PHE A 140 43.431 -10.889 21.324 1.00 73.21 N ATOM 1104 CA PHE A 140 42.453 -9.999 20.709 1.00 65.59 C ATOM 1105 C PHE A 140 41.816 -9.126 21.788 1.00 67.95 C ATOM 1106 O PHE A 140 41.831 -9.487 22.974 1.00 67.90 O ATOM 1107 CB PHE A 140 41.398 -10.813 19.966 1.00 63.58 C ATOM 1108 CG PHE A 140 41.862 -11.320 18.617 1.00 67.14 C ATOM 1109 CD1 PHE A 140 41.563 -10.607 17.443 1.00 53.35 C ATOM 1110 CD2 PHE A 140 42.621 -12.485 18.525 1.00 58.47 C ATOM 1111 CE1 PHE A 140 41.999 -11.052 16.195 1.00 58.35 C ATOM 1112 CE2 PHE A 140 43.065 -12.956 17.269 1.00 59.25 C ATOM 1113 CZ PHE A 140 42.756 -12.241 16.093 1.00 50.67 C ATOM 1114 H PHE A 140 43.253 -11.913 21.357 1.00 0.00 H ATOM 1115 N PRO A 141 41.274 -7.961 21.435 1.00 71.45 N ATOM 1116 CA PRO A 141 40.738 -7.082 22.474 1.00 67.62 C ATOM 1117 C PRO A 141 39.509 -7.717 23.093 1.00 66.81 C ATOM 1118 O PRO A 141 38.864 -8.598 22.510 1.00 63.43 O ATOM 1119 CB PRO A 141 40.372 -5.793 21.732 1.00 79.42 C ATOM 1120 CG PRO A 141 40.739 -6.023 20.294 1.00 74.28 C ATOM 1121 CD PRO A 141 40.907 -7.484 20.094 1.00 64.45 C ATOM 1122 N LYS A 142 39.213 -7.261 24.305 1.00 64.80 N ATOM 1123 CA LYS A 142 38.048 -7.729 25.044 1.00 68.28 C ATOM 1124 C LYS A 142 36.750 -7.448 24.287 1.00 74.58 C ATOM 1125 O LYS A 142 35.818 -8.263 24.329 1.00 73.03 O ATOM 1126 CB LYS A 142 38.037 -7.072 26.431 1.00 77.74 C ATOM 1127 H LYS A 142 39.832 -6.548 24.740 1.00 0.00 H ATOM 1128 N ASN A 143 36.687 -6.330 23.557 1.00 74.87 N ATOM 1129 CA ASN A 143 35.540 -5.987 22.722 1.00 66.18 C ATOM 1130 C ASN A 143 35.636 -6.597 21.333 1.00 66.85 C ATOM 1131 O ASN A 143 34.847 -6.219 20.464 1.00 77.11 O ATOM 1132 CB ASN A 143 35.365 -4.461 22.600 1.00 71.07 C ATOM 1133 CG ASN A 143 36.484 -3.775 21.771 1.00 85.33 C ATOM 1134 OD1 ASN A 143 37.620 -4.253 21.680 1.00 72.28 O ATOM 1135 ND2 ASN A 143 36.151 -2.629 21.187 1.00 95.92 N ATOM 1136 HD22 ASN A 143 35.185 -2.257 21.285 1.00 0.00 H ATOM 1137 HD21 ASN A 143 36.856 -2.104 20.632 1.00 0.00 H ATOM 1138 H ASN A 143 37.493 -5.674 23.585 1.00 0.00 H ATOM 1139 N PHE A 144 36.604 -7.488 21.081 1.00 59.73 N ATOM 1140 CA PHE A 144 36.730 -8.013 19.724 1.00 56.31 C ATOM 1141 C PHE A 144 35.426 -8.628 19.264 1.00 59.05 C ATOM 1142 O PHE A 144 34.977 -8.366 18.144 1.00 50.81 O ATOM 1143 CB PHE A 144 37.834 -9.060 19.591 1.00 57.24 C ATOM 1144 CG PHE A 144 37.914 -9.646 18.196 1.00 51.25 C ATOM 1145 CD1 PHE A 144 38.604 -8.979 17.186 1.00 57.99 C ATOM 1146 CD2 PHE A 144 37.227 -10.804 17.883 1.00 52.48 C ATOM 1147 CE1 PHE A 144 38.637 -9.481 15.897 1.00 56.57 C ATOM 1148 CE2 PHE A 144 37.252 -11.307 16.614 1.00 52.49 C ATOM 1149 CZ PHE A 144 37.975 -10.646 15.614 1.00 52.11 C ATOM 1150 H PHE A 144 37.251 -7.799 21.834 1.00 0.00 H ATOM 1151 N MET A 145 34.800 -9.447 20.119 1.00 69.40 N ATOM 1152 CA MET A 145 33.566 -10.118 19.728 1.00 65.03 C ATOM 1153 C MET A 145 32.535 -9.121 19.234 1.00 73.53 C ATOM 1154 O MET A 145 31.891 -9.341 18.200 1.00 71.74 O ATOM 1155 CB MET A 145 32.987 -10.924 20.884 1.00 62.85 C ATOM 1156 CG MET A 145 31.995 -11.980 20.416 1.00 70.77 C ATOM 1157 SD MET A 145 32.713 -13.172 19.228 1.00 75.05 S ATOM 1158 CE MET A 145 31.439 -14.440 19.329 1.00 80.17 C ATOM 1159 H MET A 145 35.196 -9.605 21.067 1.00 0.00 H ATOM 1160 N SER A 146 32.370 -8.007 19.953 1.00 74.37 N ATOM 1161 CA SER A 146 31.431 -6.987 19.491 1.00 64.69 C ATOM 1162 C SER A 146 31.899 -6.377 18.174 1.00 57.34 C ATOM 1163 O SER A 146 31.086 -6.101 17.285 1.00 60.39 O ATOM 1164 CB SER A 146 31.264 -5.894 20.548 1.00 63.62 C ATOM 1165 OG SER A 146 32.254 -4.885 20.349 1.00 77.38 O ATOM 1166 HG SER A 146 33.155 -5.288 20.429 1.00 0.00 H ATOM 1167 H SER A 146 32.905 -7.867 20.834 1.00 0.00 H ATOM 1168 N VAL A 147 33.206 -6.167 18.020 1.00 55.03 N ATOM 1169 CA VAL A 147 33.713 -5.546 16.795 1.00 57.83 C ATOM 1170 C VAL A 147 33.476 -6.442 15.592 1.00 59.06 C ATOM 1171 O VAL A 147 33.105 -5.969 14.504 1.00 57.69 O ATOM 1172 CB VAL A 147 35.199 -5.192 16.955 1.00 69.93 C ATOM 1173 CG1 VAL A 147 35.814 -4.802 15.626 1.00 61.25 C ATOM 1174 CG2 VAL A 147 35.323 -4.053 17.947 1.00 64.50 C ATOM 1175 H VAL A 147 33.868 -6.445 18.772 1.00 0.00 H ATOM 1176 N ALA A 148 33.674 -7.749 15.757 1.00 66.67 N ATOM 1177 CA ALA A 148 33.454 -8.656 14.635 1.00 50.02 C ATOM 1178 C ALA A 148 31.972 -8.773 14.304 1.00 59.73 C ATOM 1179 O ALA A 148 31.606 -8.906 13.131 1.00 54.33 O ATOM 1180 CB ALA A 148 34.044 -10.030 14.928 1.00 43.19 C ATOM 1181 H ALA A 148 33.983 -8.120 16.678 1.00 0.00 H ATOM 1182 N LYS A 149 31.100 -8.727 15.317 1.00 58.59 N ATOM 1183 CA LYS A 149 29.674 -8.851 15.026 1.00 65.53 C ATOM 1184 C LYS A 149 29.196 -7.673 14.182 1.00 65.26 C ATOM 1185 O LYS A 149 28.456 -7.860 13.210 1.00 59.90 O ATOM 1186 CB LYS A 149 28.857 -8.990 16.321 1.00 68.46 C ATOM 1187 CG LYS A 149 29.296 -10.176 17.176 1.00 72.55 C ATOM 1188 CD LYS A 149 28.164 -10.915 17.836 1.00 71.31 C ATOM 1189 CE LYS A 149 27.363 -10.079 18.781 1.00 74.90 C ATOM 1190 NZ LYS A 149 26.189 -10.871 19.330 1.00 84.33 N ATOM 1191 HZ1 LYS A 149 25.578 -11.172 18.544 1.00 0.00 H ATOM 1192 HZ2 LYS A 149 26.543 -11.708 19.836 1.00 0.00 H ATOM 1193 HZ3 LYS A 149 25.645 -10.273 19.984 1.00 0.00 H ATOM 1194 H LYS A 149 31.432 -8.605 16.295 1.00 0.00 H ATOM 1195 N THR A 150 29.667 -6.463 14.495 1.00 61.45 N ATOM 1196 CA THR A 150 29.346 -5.298 13.677 1.00 54.22 C ATOM 1197 C THR A 150 29.850 -5.452 12.241 1.00 61.81 C ATOM 1198 O THR A 150 29.143 -5.083 11.295 1.00 71.35 O ATOM 1199 CB THR A 150 29.932 -4.046 14.319 1.00 57.15 C ATOM 1200 OG1 THR A 150 29.484 -3.976 15.676 1.00 67.31 O ATOM 1201 CG2 THR A 150 29.437 -2.789 13.583 1.00 59.98 C ATOM 1202 HG1 THR A 150 29.790 -4.781 16.165 1.00 0.00 H ATOM 1203 H THR A 150 30.271 -6.349 15.334 1.00 0.00 H ATOM 1204 N ILE A 151 31.059 -6.005 12.050 1.00 51.72 N ATOM 1205 CA ILE A 151 31.613 -6.147 10.696 1.00 56.18 C ATOM 1206 C ILE A 151 30.739 -7.062 9.860 1.00 56.48 C ATOM 1207 O ILE A 151 30.353 -6.725 8.735 1.00 61.72 O ATOM 1208 CB ILE A 151 33.061 -6.672 10.735 1.00 59.62 C ATOM 1209 CG1 ILE A 151 34.028 -5.623 11.293 1.00 59.10 C ATOM 1210 CG2 ILE A 151 33.508 -7.128 9.340 1.00 42.97 C ATOM 1211 CD1 ILE A 151 35.473 -6.150 11.360 1.00 55.98 C ATOM 1212 H ILE A 151 31.609 -6.336 12.868 1.00 0.00 H ATOM 1213 N LEU A 152 30.415 -8.240 10.405 1.00 55.73 N ATOM 1214 CA LEU A 152 29.688 -9.261 9.652 1.00 54.43 C ATOM 1215 C LEU A 152 28.253 -8.840 9.395 1.00 53.21 C ATOM 1216 O LEU A 152 27.686 -9.133 8.331 1.00 66.85 O ATOM 1217 CB LEU A 152 29.727 -10.597 10.416 1.00 51.88 C ATOM 1218 CG LEU A 152 31.125 -11.219 10.504 1.00 52.92 C ATOM 1219 CD1 LEU A 152 31.212 -12.222 11.628 1.00 55.32 C ATOM 1220 CD2 LEU A 152 31.469 -11.875 9.178 1.00 45.83 C ATOM 1221 H LEU A 152 30.687 -8.435 11.390 1.00 0.00 H ATOM 1222 N LYS A 153 27.645 -8.168 10.379 1.00 54.09 N ATOM 1223 CA LYS A 153 26.296 -7.643 10.225 1.00 53.39 C ATOM 1224 C LYS A 153 26.192 -6.745 8.996 1.00 60.38 C ATOM 1225 O LYS A 153 25.179 -6.762 8.283 1.00 53.10 O ATOM 1226 CB LYS A 153 25.912 -6.871 11.495 1.00 57.38 C ATOM 1227 CG LYS A 153 24.816 -5.856 11.312 1.00 67.98 C ATOM 1228 CD LYS A 153 24.173 -5.455 12.642 1.00 79.08 C ATOM 1229 CE LYS A 153 25.067 -4.540 13.472 1.00 77.13 C ATOM 1230 NZ LYS A 153 24.680 -3.099 13.474 1.00 81.27 N ATOM 1231 HZ1 LYS A 153 24.705 -2.733 12.501 1.00 0.00 H ATOM 1232 HZ2 LYS A 153 23.719 -3.000 13.858 1.00 0.00 H ATOM 1233 HZ3 LYS A 153 25.347 -2.563 14.065 1.00 0.00 H ATOM 1234 H LYS A 153 28.149 -8.017 11.276 1.00 0.00 H ATOM 1235 N ARG A 154 27.236 -5.939 8.743 1.00 55.27 N ATOM 1236 CA ARG A 154 27.205 -5.017 7.615 1.00 63.08 C ATOM 1237 C ARG A 154 27.586 -5.684 6.316 1.00 53.94 C ATOM 1238 O ARG A 154 27.018 -5.333 5.278 1.00 63.53 O ATOM 1239 CB ARG A 154 28.108 -3.824 7.858 1.00 62.93 C ATOM 1240 CG ARG A 154 28.022 -3.279 9.248 1.00 60.40 C ATOM 1241 CD ARG A 154 27.677 -1.816 9.266 1.00 75.91 C ATOM 1242 NE ARG A 154 28.045 -1.318 10.571 1.00 78.71 N ATOM 1243 CZ ARG A 154 28.160 -0.027 10.851 1.00 83.80 C ATOM 1244 NH1 ARG A 154 27.906 0.885 9.919 1.00101.04 N ATOM 1245 NH2 ARG A 154 28.495 0.377 12.067 1.00 84.11 N ATOM 1246 HE ARG A 154 28.229 -2.006 11.329 1.00 0.00 H ATOM 1247 HH12 ARG A 154 27.997 1.897 10.143 1.00 0.00 H ATOM 1248 HH11 ARG A 154 27.616 0.587 8.966 1.00 0.00 H ATOM 1249 HH22 ARG A 154 28.581 1.393 12.272 1.00 0.00 H ATOM 1250 HH21 ARG A 154 28.672 -0.322 12.817 1.00 0.00 H ATOM 1251 H ARG A 154 28.074 -5.973 9.358 1.00 0.00 H ATOM 1252 N LEU A 155 28.508 -6.655 6.361 1.00 47.63 N ATOM 1253 CA LEU A 155 28.823 -7.455 5.182 1.00 54.76 C ATOM 1254 C LEU A 155 27.588 -8.165 4.647 1.00 59.08 C ATOM 1255 O LEU A 155 27.384 -8.216 3.427 1.00 61.28 O ATOM 1256 CB LEU A 155 29.933 -8.472 5.497 1.00 43.88 C ATOM 1257 CG LEU A 155 31.273 -7.834 5.905 1.00 53.54 C ATOM 1258 CD1 LEU A 155 32.373 -8.834 5.997 1.00 44.54 C ATOM 1259 CD2 LEU A 155 31.643 -6.737 4.958 1.00 66.17 C ATOM 1260 H LEU A 155 29.009 -6.842 7.253 1.00 0.00 H ATOM 1261 N PHE A 156 26.750 -8.715 5.547 1.00 51.29 N ATOM 1262 CA PHE A 156 25.504 -9.357 5.124 1.00 55.12 C ATOM 1263 C PHE A 156 24.687 -8.443 4.218 1.00 60.50 C ATOM 1264 O PHE A 156 24.104 -8.898 3.227 1.00 53.93 O ATOM 1265 CB PHE A 156 24.672 -9.779 6.342 1.00 48.26 C ATOM 1266 CG PHE A 156 23.198 -10.095 6.031 1.00 60.62 C ATOM 1267 CD1 PHE A 156 22.825 -11.386 5.642 1.00 49.65 C ATOM 1268 CD2 PHE A 156 22.187 -9.135 6.203 1.00 54.17 C ATOM 1269 CE1 PHE A 156 21.485 -11.704 5.386 1.00 59.96 C ATOM 1270 CE2 PHE A 156 20.835 -9.443 5.923 1.00 65.59 C ATOM 1271 CZ PHE A 156 20.478 -10.729 5.513 1.00 58.41 C ATOM 1272 H PHE A 156 26.992 -8.683 6.558 1.00 0.00 H ATOM 1273 N ARG A 157 24.635 -7.146 4.538 1.00 52.64 N ATOM 1274 CA ARG A 157 23.833 -6.259 3.709 1.00 56.00 C ATOM 1275 C ARG A 157 24.386 -6.119 2.305 1.00 55.55 C ATOM 1276 O ARG A 157 23.659 -5.652 1.425 1.00 66.19 O ATOM 1277 CB ARG A 157 23.704 -4.879 4.360 1.00 60.28 C ATOM 1278 CG ARG A 157 23.493 -4.973 5.815 1.00 68.63 C ATOM 1279 CD ARG A 157 23.583 -3.593 6.444 1.00 69.93 C ATOM 1280 NE ARG A 157 23.116 -3.715 7.805 1.00 63.35 N ATOM 1281 CZ ARG A 157 23.229 -2.733 8.687 1.00 71.54 C ATOM 1282 NH1 ARG A 157 23.801 -1.575 8.351 1.00 76.14 N ATOM 1283 NH2 ARG A 157 22.786 -2.894 9.916 1.00 81.11 N ATOM 1284 HE ARG A 157 22.674 -4.608 8.104 1.00 0.00 H ATOM 1285 HH12 ARG A 157 23.883 -0.812 9.053 1.00 0.00 H ATOM 1286 HH11 ARG A 157 24.165 -1.435 7.387 1.00 0.00 H ATOM 1287 HH22 ARG A 157 22.876 -2.122 10.607 1.00 0.00 H ATOM 1288 HH21 ARG A 157 22.346 -3.794 10.197 1.00 0.00 H ATOM 1289 H ARG A 157 25.156 -6.780 5.360 1.00 0.00 H ATOM 1290 N VAL A 158 25.632 -6.535 2.059 1.00 52.50 N ATOM 1291 CA VAL A 158 26.137 -6.519 0.694 1.00 58.47 C ATOM 1292 C VAL A 158 25.589 -7.718 -0.085 1.00 68.47 C ATOM 1293 O VAL A 158 25.177 -7.584 -1.248 1.00 74.02 O ATOM 1294 CB VAL A 158 27.679 -6.458 0.687 1.00 50.75 C ATOM 1295 CG1 VAL A 158 28.188 -6.222 -0.740 1.00 50.34 C ATOM 1296 CG2 VAL A 158 28.146 -5.323 1.601 1.00 55.04 C ATOM 1297 H VAL A 158 26.236 -6.868 2.837 1.00 0.00 H ATOM 1298 N TYR A 159 25.543 -8.900 0.548 1.00 62.24 N ATOM 1299 CA TYR A 159 24.799 -10.022 -0.035 1.00 58.98 C ATOM 1300 C TYR A 159 23.360 -9.626 -0.282 1.00 69.32 C ATOM 1301 O TYR A 159 22.790 -9.931 -1.338 1.00 63.54 O ATOM 1302 CB TYR A 159 24.799 -11.240 0.894 1.00 60.11 C ATOM 1303 CG TYR A 159 26.114 -11.957 1.083 1.00 53.13 C ATOM 1304 CD1 TYR A 159 26.612 -12.840 0.101 1.00 48.00 C ATOM 1305 CD2 TYR A 159 26.852 -11.795 2.260 1.00 57.99 C ATOM 1306 CE1 TYR A 159 27.844 -13.525 0.292 1.00 53.89 C ATOM 1307 CE2 TYR A 159 28.081 -12.481 2.457 1.00 51.01 C ATOM 1308 CZ TYR A 159 28.567 -13.339 1.473 1.00 48.59 C ATOM 1309 OH TYR A 159 29.765 -14.002 1.694 1.00 59.39 O ATOM 1310 HH TYR A 159 29.976 -14.570 0.911 1.00 0.00 H ATOM 1311 H TYR A 159 26.037 -9.021 1.455 1.00 0.00 H ATOM 1312 N ALA A 160 22.749 -8.959 0.701 1.00 55.49 N ATOM 1313 CA ALA A 160 21.326 -8.672 0.607 1.00 62.93 C ATOM 1314 C ALA A 160 21.025 -7.811 -0.614 1.00 67.04 C ATOM 1315 O ALA A 160 20.075 -8.079 -1.348 1.00 68.74 O ATOM 1316 CB ALA A 160 20.844 -7.998 1.888 1.00 61.05 C ATOM 1317 H ALA A 160 23.290 -8.645 1.532 1.00 0.00 H ATOM 1318 N HIS A 161 21.837 -6.778 -0.856 1.00 63.86 N ATOM 1319 CA HIS A 161 21.569 -5.905 -1.992 1.00 74.99 C ATOM 1320 C HIS A 161 21.836 -6.616 -3.324 1.00 73.51 C ATOM 1321 O HIS A 161 21.111 -6.402 -4.307 1.00 76.18 O ATOM 1322 CB HIS A 161 22.404 -4.633 -1.890 1.00 70.37 C ATOM 1323 CG HIS A 161 22.186 -3.704 -3.047 1.00 74.97 C ATOM 1324 ND1 HIS A 161 23.201 -3.303 -3.900 1.00 87.56 N ATOM 1325 CD2 HIS A 161 21.064 -3.106 -3.503 1.00 77.97 C ATOM 1326 CE1 HIS A 161 22.706 -2.508 -4.824 1.00 84.09 C ATOM 1327 NE2 HIS A 161 21.404 -2.387 -4.619 1.00 89.18 N ATOM 1328 H HIS A 161 22.654 -6.598 -0.238 1.00 0.00 H ATOM 1329 N ILE A 162 22.878 -7.462 -3.376 1.00 61.67 N ATOM 1330 CA ILE A 162 23.181 -8.180 -4.614 1.00 68.24 C ATOM 1331 C ILE A 162 22.057 -9.137 -4.944 1.00 70.52 C ATOM 1332 O ILE A 162 21.614 -9.235 -6.095 1.00 76.42 O ATOM 1333 CB ILE A 162 24.522 -8.925 -4.506 1.00 57.65 C ATOM 1334 CG1 ILE A 162 25.699 -7.946 -4.539 1.00 63.16 C ATOM 1335 CG2 ILE A 162 24.641 -9.994 -5.601 1.00 56.22 C ATOM 1336 CD1 ILE A 162 27.026 -8.615 -4.109 1.00 54.68 C ATOM 1337 H ILE A 162 23.471 -7.607 -2.534 1.00 0.00 H ATOM 1338 N TYR A 163 21.575 -9.852 -3.933 1.00 58.97 N ATOM 1339 CA TYR A 163 20.497 -10.799 -4.151 1.00 67.88 C ATOM 1340 C TYR A 163 19.237 -10.100 -4.659 1.00 67.48 C ATOM 1341 O TYR A 163 18.696 -10.471 -5.704 1.00 73.54 O ATOM 1342 CB TYR A 163 20.236 -11.588 -2.868 1.00 58.84 C ATOM 1343 CG TYR A 163 21.033 -12.877 -2.797 1.00 66.91 C ATOM 1344 CD1 TYR A 163 20.818 -13.892 -3.724 1.00 65.38 C ATOM 1345 CD2 TYR A 163 22.001 -13.080 -1.819 1.00 52.00 C ATOM 1346 CE1 TYR A 163 21.538 -15.087 -3.679 1.00 53.38 C ATOM 1347 CE2 TYR A 163 22.731 -14.283 -1.758 1.00 58.93 C ATOM 1348 CZ TYR A 163 22.480 -15.283 -2.695 1.00 63.46 C ATOM 1349 OH TYR A 163 23.165 -16.475 -2.671 1.00 62.41 O ATOM 1350 HH TYR A 163 22.848 -17.051 -3.411 1.00 0.00 H ATOM 1351 H TYR A 163 21.973 -9.732 -2.980 1.00 0.00 H ATOM 1352 N HIS A 164 18.774 -9.063 -3.959 1.00 68.26 N ATOM 1353 CA HIS A 164 17.471 -8.489 -4.274 1.00 76.03 C ATOM 1354 C HIS A 164 17.458 -7.667 -5.562 1.00 78.76 C ATOM 1355 O HIS A 164 16.394 -7.500 -6.174 1.00 92.12 O ATOM 1356 CB HIS A 164 17.004 -7.618 -3.116 1.00 80.21 C ATOM 1357 CG HIS A 164 16.409 -8.395 -1.988 1.00 82.33 C ATOM 1358 ND1 HIS A 164 15.056 -8.416 -1.732 1.00 81.99 N ATOM 1359 CD2 HIS A 164 16.985 -9.181 -1.048 1.00 78.95 C ATOM 1360 CE1 HIS A 164 14.823 -9.177 -0.678 1.00 84.88 C ATOM 1361 NE2 HIS A 164 15.977 -9.655 -0.244 1.00 77.28 N ATOM 1362 H HIS A 164 19.344 -8.663 -3.187 1.00 0.00 H ATOM 1363 N GLN A 165 18.602 -7.133 -5.977 1.00 73.75 N ATOM 1364 CA GLN A 165 18.648 -6.143 -7.044 1.00 82.83 C ATOM 1365 C GLN A 165 19.411 -6.660 -8.256 1.00 79.89 C ATOM 1366 O GLN A 165 18.865 -6.712 -9.357 1.00 89.44 O ATOM 1367 CB GLN A 165 19.270 -4.847 -6.517 1.00 84.98 C ATOM 1368 CG GLN A 165 18.615 -4.351 -5.243 1.00 85.33 C ATOM 1369 CD GLN A 165 17.277 -3.681 -5.507 1.00 96.64 C ATOM 1370 OE1 GLN A 165 16.253 -4.072 -4.952 1.00102.42 O ATOM 1371 NE2 GLN A 165 17.277 -2.684 -6.383 1.00 98.35 N ATOM 1372 HE22 GLN A 165 18.167 -2.384 -6.830 1.00 0.00 H ATOM 1373 HE21 GLN A 165 16.387 -2.202 -6.623 1.00 0.00 H ATOM 1374 H GLN A 165 19.491 -7.431 -5.526 1.00 0.00 H ATOM 1375 N HIS A 166 20.663 -7.020 -8.063 1.00 78.43 N ATOM 1376 CA HIS A 166 21.578 -7.393 -9.124 1.00 80.83 C ATOM 1377 C HIS A 166 21.648 -8.892 -9.381 1.00 74.60 C ATOM 1378 O HIS A 166 22.660 -9.366 -9.903 1.00 72.81 O ATOM 1379 CB HIS A 166 22.941 -6.810 -8.820 1.00 80.94 C ATOM 1380 CG HIS A 166 22.913 -5.323 -8.724 1.00 90.09 C ATOM 1381 ND1 HIS A 166 22.900 -4.512 -9.834 1.00 94.73 N ATOM 1382 CD2 HIS A 166 22.842 -4.504 -7.653 1.00 94.17 C ATOM 1383 CE1 HIS A 166 22.857 -3.253 -9.448 1.00103.34 C ATOM 1384 NE2 HIS A 166 22.824 -3.221 -8.130 1.00108.69 N ATOM 1385 H HIS A 166 21.019 -7.038 -7.086 1.00 0.00 H ATOM 1386 N PHE A 167 20.675 -9.672 -8.917 1.00 68.58 N ATOM 1387 CA PHE A 167 20.777 -11.109 -9.143 1.00 67.59 C ATOM 1388 C PHE A 167 20.722 -11.474 -10.633 1.00 79.39 C ATOM 1389 O PHE A 167 21.390 -12.423 -11.072 1.00 69.51 O ATOM 1390 CB PHE A 167 19.697 -11.857 -8.376 1.00 68.79 C ATOM 1391 CG PHE A 167 19.911 -13.345 -8.377 1.00 77.52 C ATOM 1392 CD1 PHE A 167 20.896 -13.922 -7.579 1.00 68.29 C ATOM 1393 CD2 PHE A 167 19.158 -14.167 -9.190 1.00 80.00 C ATOM 1394 CE1 PHE A 167 21.108 -15.307 -7.589 1.00 77.01 C ATOM 1395 CE2 PHE A 167 19.361 -15.541 -9.197 1.00 72.39 C ATOM 1396 CZ PHE A 167 20.335 -16.115 -8.398 1.00 66.38 C ATOM 1397 H PHE A 167 19.864 -9.268 -8.407 1.00 0.00 H ATOM 1398 N ASP A 168 19.935 -10.754 -11.435 1.00 78.40 N ATOM 1399 CA ASP A 168 19.974 -11.043 -12.867 1.00 87.40 C ATOM 1400 C ASP A 168 21.391 -10.904 -13.407 1.00 81.42 C ATOM 1401 O ASP A 168 21.865 -11.762 -14.159 1.00 76.69 O ATOM 1402 CB ASP A 168 18.999 -10.156 -13.638 1.00 85.65 C ATOM 1403 CG ASP A 168 19.109 -8.690 -13.266 1.00 96.97 C ATOM 1404 OD1 ASP A 168 20.066 -8.308 -12.549 1.00 93.87 O ATOM 1405 OD2 ASP A 168 18.209 -7.919 -13.690 1.00109.75 O ATOM 1406 H ASP A 168 19.314 -10.012 -11.054 1.00 0.00 H ATOM 1407 N SER A 169 22.098 -9.851 -12.994 1.00 80.81 N ATOM 1408 CA SER A 169 23.482 -9.676 -13.412 1.00 71.51 C ATOM 1409 C SER A 169 24.360 -10.802 -12.883 1.00 68.04 C ATOM 1410 O SER A 169 25.249 -11.285 -13.595 1.00 67.39 O ATOM 1411 CB SER A 169 23.990 -8.311 -12.947 1.00 70.87 C ATOM 1412 OG SER A 169 23.098 -7.266 -13.356 1.00 80.76 O ATOM 1413 HG SER A 169 22.204 -7.424 -12.962 1.00 0.00 H ATOM 1414 H SER A 169 21.657 -9.148 -12.367 1.00 0.00 H ATOM 1415 N VAL A 170 24.123 -11.244 -11.639 1.00 71.08 N ATOM 1416 CA VAL A 170 24.913 -12.344 -11.092 1.00 69.66 C ATOM 1417 C VAL A 170 24.760 -13.581 -11.964 1.00 77.11 C ATOM 1418 O VAL A 170 25.736 -14.279 -12.259 1.00 68.80 O ATOM 1419 CB VAL A 170 24.520 -12.628 -9.633 1.00 63.44 C ATOM 1420 CG1 VAL A 170 24.951 -14.021 -9.239 1.00 55.79 C ATOM 1421 CG2 VAL A 170 25.157 -11.602 -8.730 1.00 55.21 C ATOM 1422 H VAL A 170 23.377 -10.803 -11.064 1.00 0.00 H ATOM 1423 N MET A 171 23.543 -13.859 -12.412 1.00 73.17 N ATOM 1424 CA MET A 171 23.327 -15.021 -13.253 1.00 73.05 C ATOM 1425 C MET A 171 23.749 -14.808 -14.700 1.00 72.73 C ATOM 1426 O MET A 171 24.119 -15.789 -15.352 1.00 74.97 O ATOM 1427 CB MET A 171 21.867 -15.474 -13.181 1.00 74.80 C ATOM 1428 CG MET A 171 21.560 -16.205 -11.896 1.00 80.72 C ATOM 1429 SD MET A 171 20.142 -17.281 -12.075 1.00118.46 S ATOM 1430 CE MET A 171 18.971 -16.153 -12.810 1.00 90.20 C ATOM 1431 H MET A 171 22.743 -13.244 -12.160 1.00 0.00 H ATOM 1432 N GLN A 172 23.739 -13.562 -15.203 1.00 84.64 N ATOM 1433 CA GLN A 172 24.232 -13.285 -16.558 1.00 86.38 C ATOM 1434 C GLN A 172 25.729 -13.576 -16.658 1.00 87.47 C ATOM 1435 O GLN A 172 26.181 -14.293 -17.564 1.00 81.03 O ATOM 1436 CB GLN A 172 23.916 -11.835 -16.959 1.00 80.50 C ATOM 1437 CG GLN A 172 24.758 -11.255 -18.123 1.00 82.00 C ATOM 1438 CD GLN A 172 24.311 -9.828 -18.545 1.00 93.81 C ATOM 1439 OE1 GLN A 172 25.079 -9.065 -19.125 1.00100.41 O ATOM 1440 NE2 GLN A 172 23.066 -9.488 -18.257 1.00 91.89 N ATOM 1441 HE22 GLN A 172 22.444 -10.160 -17.765 1.00 0.00 H ATOM 1442 HE21 GLN A 172 22.709 -8.548 -18.523 1.00 0.00 H ATOM 1443 H GLN A 172 23.375 -12.780 -14.622 1.00 0.00 H ATOM 1444 N LEU A 173 26.512 -13.034 -15.728 1.00 74.69 N ATOM 1445 CA LEU A 173 27.818 -13.600 -15.434 1.00 73.83 C ATOM 1446 C LEU A 173 27.619 -15.003 -14.861 1.00 76.60 C ATOM 1447 O LEU A 173 26.536 -15.371 -14.417 1.00104.42 O ATOM 1448 CB LEU A 173 28.579 -12.705 -14.453 1.00 70.02 C ATOM 1449 CG LEU A 173 28.393 -11.206 -14.678 1.00 69.49 C ATOM 1450 CD1 LEU A 173 28.800 -10.399 -13.473 1.00 67.73 C ATOM 1451 CD2 LEU A 173 29.182 -10.770 -15.895 1.00 71.54 C ATOM 1452 H LEU A 173 26.186 -12.196 -15.206 1.00 0.00 H ATOM 1453 N GLN A 174 28.653 -15.800 -14.872 1.00 61.63 N ATOM 1454 CA GLN A 174 28.427 -17.169 -14.450 1.00 66.98 C ATOM 1455 C GLN A 174 28.481 -17.307 -12.920 1.00 72.53 C ATOM 1456 O GLN A 174 28.773 -18.386 -12.408 1.00 77.24 O ATOM 1457 CB GLN A 174 29.411 -18.108 -15.148 1.00 77.88 C ATOM 1458 H GLN A 174 29.593 -15.469 -15.169 1.00 0.00 H ATOM 1459 N GLU A 175 28.292 -16.210 -12.191 1.00 64.03 N ATOM 1460 CA GLU A 175 28.669 -16.045 -10.790 1.00 62.67 C ATOM 1461 C GLU A 175 27.634 -16.526 -9.762 1.00 58.15 C ATOM 1462 O GLU A 175 27.752 -16.151 -8.583 1.00 61.80 O ATOM 1463 CB GLU A 175 28.998 -14.581 -10.518 1.00 63.42 C ATOM 1464 CG GLU A 175 30.340 -14.222 -11.095 1.00 65.69 C ATOM 1465 CD GLU A 175 31.527 -14.672 -10.290 1.00 84.34 C ATOM 1466 OE1 GLU A 175 32.607 -14.533 -10.870 1.00 94.35 O ATOM 1467 OE2 GLU A 175 31.434 -15.104 -9.119 1.00 93.29 O ATOM 1468 H GLU A 175 27.837 -15.401 -12.659 1.00 0.00 H ATOM 1469 N GLU A 176 26.590 -17.263 -10.167 1.00 62.70 N ATOM 1470 CA GLU A 176 25.545 -17.654 -9.211 1.00 59.71 C ATOM 1471 C GLU A 176 26.056 -18.650 -8.172 1.00 58.09 C ATOM 1472 O GLU A 176 25.763 -18.507 -6.974 1.00 63.83 O ATOM 1473 CB GLU A 176 24.310 -18.235 -9.922 1.00 63.66 C ATOM 1474 CG GLU A 176 24.608 -19.368 -10.886 1.00 83.37 C ATOM 1475 CD GLU A 176 24.678 -18.912 -12.317 1.00 91.77 C ATOM 1476 OE1 GLU A 176 24.030 -19.555 -13.174 1.00 98.38 O ATOM 1477 OE2 GLU A 176 25.377 -17.908 -12.578 1.00 93.02 O ATOM 1478 H GLU A 176 26.519 -17.559 -11.161 1.00 0.00 H ATOM 1479 N ALA A 177 26.777 -19.693 -8.605 1.00 58.12 N ATOM 1480 CA ALA A 177 27.236 -20.717 -7.660 1.00 57.68 C ATOM 1481 C ALA A 177 28.234 -20.136 -6.657 1.00 61.87 C ATOM 1482 O ALA A 177 28.141 -20.395 -5.444 1.00 61.27 O ATOM 1483 CB ALA A 177 27.840 -21.901 -8.424 1.00 53.88 C ATOM 1484 H ALA A 177 27.012 -19.777 -9.615 1.00 0.00 H ATOM 1485 N HIS A 178 29.179 -19.319 -7.142 1.00 59.17 N ATOM 1486 CA HIS A 178 30.080 -18.561 -6.269 1.00 55.32 C ATOM 1487 C HIS A 178 29.312 -17.802 -5.197 1.00 56.93 C ATOM 1488 O HIS A 178 29.605 -17.909 -3.996 1.00 57.41 O ATOM 1489 CB HIS A 178 30.916 -17.600 -7.123 1.00 44.51 C ATOM 1490 CG HIS A 178 32.029 -16.908 -6.382 1.00 55.38 C ATOM 1491 ND1 HIS A 178 32.966 -16.118 -7.024 1.00 59.04 N ATOM 1492 CD2 HIS A 178 32.341 -16.872 -5.060 1.00 55.76 C ATOM 1493 CE1 HIS A 178 33.802 -15.624 -6.122 1.00 58.40 C ATOM 1494 NE2 HIS A 178 33.447 -16.069 -4.929 1.00 59.10 N ATOM 1495 H HIS A 178 29.276 -19.219 -8.173 1.00 0.00 H ATOM 1496 N LEU A 179 28.319 -17.028 -5.610 1.00 53.29 N ATOM 1497 CA LEU A 179 27.608 -16.207 -4.638 1.00 53.46 C ATOM 1498 C LEU A 179 26.832 -17.088 -3.665 1.00 49.52 C ATOM 1499 O LEU A 179 26.827 -16.844 -2.457 1.00 50.21 O ATOM 1500 CB LEU A 179 26.680 -15.229 -5.363 1.00 48.69 C ATOM 1501 CG LEU A 179 25.638 -14.561 -4.483 1.00 52.78 C ATOM 1502 CD1 LEU A 179 26.361 -13.566 -3.587 1.00 55.14 C ATOM 1503 CD2 LEU A 179 24.541 -13.831 -5.296 1.00 58.06 C ATOM 1504 H LEU A 179 28.050 -17.007 -6.615 1.00 0.00 H ATOM 1505 N ASN A 180 26.222 -18.159 -4.179 1.00 46.48 N ATOM 1506 CA ASN A 180 25.410 -19.034 -3.346 1.00 47.68 C ATOM 1507 C ASN A 180 26.267 -19.797 -2.346 1.00 59.08 C ATOM 1508 O ASN A 180 25.904 -19.915 -1.164 1.00 47.61 O ATOM 1509 CB ASN A 180 24.624 -20.005 -4.237 1.00 54.39 C ATOM 1510 CG ASN A 180 23.429 -19.349 -4.879 1.00 62.90 C ATOM 1511 OD1 ASN A 180 22.853 -18.417 -4.310 1.00 59.49 O ATOM 1512 ND2 ASN A 180 23.048 -19.818 -6.065 1.00 60.80 N ATOM 1513 HD22 ASN A 180 23.566 -20.606 -6.504 1.00 0.00 H ATOM 1514 HD21 ASN A 180 22.232 -19.397 -6.553 1.00 0.00 H ATOM 1515 H ASN A 180 26.329 -18.371 -5.191 1.00 0.00 H ATOM 1516 N THR A 181 27.402 -20.346 -2.795 1.00 53.44 N ATOM 1517 CA THR A 181 28.226 -21.113 -1.863 1.00 52.38 C ATOM 1518 C THR A 181 28.826 -20.207 -0.799 1.00 46.75 C ATOM 1519 O THR A 181 28.895 -20.584 0.380 1.00 49.07 O ATOM 1520 CB THR A 181 29.314 -21.868 -2.620 1.00 44.52 C ATOM 1521 OG1 THR A 181 30.081 -20.941 -3.404 1.00 55.47 O ATOM 1522 CG2 THR A 181 28.655 -22.904 -3.526 1.00 47.64 C ATOM 1523 HG1 THR A 181 29.485 -20.484 -4.049 1.00 0.00 H ATOM 1524 H THR A 181 27.692 -20.229 -3.787 1.00 0.00 H ATOM 1525 N SER A 182 29.257 -19.001 -1.192 1.00 44.05 N ATOM 1526 CA SER A 182 29.837 -18.086 -0.211 1.00 38.67 C ATOM 1527 C SER A 182 28.794 -17.644 0.803 1.00 52.06 C ATOM 1528 O SER A 182 29.096 -17.493 1.996 1.00 57.19 O ATOM 1529 CB SER A 182 30.439 -16.860 -0.893 1.00 43.56 C ATOM 1530 OG SER A 182 30.905 -15.926 0.090 1.00 52.55 O ATOM 1531 HG SER A 182 31.597 -16.357 0.652 1.00 0.00 H ATOM 1532 H SER A 182 29.179 -18.717 -2.190 1.00 0.00 H ATOM 1533 N PHE A 183 27.562 -17.414 0.344 1.00 50.47 N ATOM 1534 CA PHE A 183 26.504 -16.990 1.259 1.00 50.35 C ATOM 1535 C PHE A 183 26.128 -18.112 2.225 1.00 53.20 C ATOM 1536 O PHE A 183 26.006 -17.888 3.444 1.00 48.70 O ATOM 1537 CB PHE A 183 25.280 -16.510 0.472 1.00 43.32 C ATOM 1538 CG PHE A 183 24.172 -15.976 1.351 1.00 52.54 C ATOM 1539 CD1 PHE A 183 24.329 -14.772 2.047 1.00 47.28 C ATOM 1540 CD2 PHE A 183 22.984 -16.671 1.489 1.00 56.84 C ATOM 1541 CE1 PHE A 183 23.326 -14.268 2.847 1.00 55.40 C ATOM 1542 CE2 PHE A 183 21.975 -16.183 2.301 1.00 60.83 C ATOM 1543 CZ PHE A 183 22.135 -14.972 2.982 1.00 53.69 C ATOM 1544 H PHE A 183 27.354 -17.537 -0.668 1.00 0.00 H ATOM 1545 N LYS A 184 25.959 -19.335 1.706 1.00 43.57 N ATOM 1546 CA LYS A 184 25.709 -20.487 2.572 1.00 51.19 C ATOM 1547 C LYS A 184 26.776 -20.597 3.647 1.00 53.38 C ATOM 1548 O LYS A 184 26.464 -20.666 4.842 1.00 53.85 O ATOM 1549 CB LYS A 184 25.644 -21.778 1.746 1.00 57.05 C ATOM 1550 CG LYS A 184 25.064 -23.003 2.506 1.00 57.57 C ATOM 1551 CD LYS A 184 25.225 -24.259 1.667 1.00 51.63 C ATOM 1552 CE LYS A 184 24.763 -25.547 2.313 1.00 63.05 C ATOM 1553 NZ LYS A 184 24.882 -26.640 1.255 1.00 65.03 N ATOM 1554 HZ1 LYS A 184 24.282 -26.399 0.441 1.00 0.00 H ATOM 1555 HZ2 LYS A 184 25.872 -26.716 0.947 1.00 0.00 H ATOM 1556 HZ3 LYS A 184 24.573 -27.547 1.659 1.00 0.00 H ATOM 1557 H LYS A 184 26.006 -19.467 0.676 1.00 0.00 H ATOM 1558 N HIS A 185 28.046 -20.580 3.234 1.00 55.23 N ATOM 1559 CA HIS A 185 29.162 -20.583 4.175 1.00 52.13 C ATOM 1560 C HIS A 185 29.034 -19.454 5.201 1.00 55.92 C ATOM 1561 O HIS A 185 29.144 -19.683 6.419 1.00 47.03 O ATOM 1562 CB HIS A 185 30.455 -20.469 3.379 1.00 40.01 C ATOM 1563 CG HIS A 185 31.685 -20.432 4.205 1.00 39.67 C ATOM 1564 ND1 HIS A 185 31.700 -20.753 5.542 1.00 55.32 N ATOM 1565 CD2 HIS A 185 32.956 -20.103 3.882 1.00 44.85 C ATOM 1566 CE1 HIS A 185 32.930 -20.633 6.007 1.00 53.00 C ATOM 1567 NE2 HIS A 185 33.712 -20.231 5.022 1.00 46.27 N ATOM 1568 H HIS A 185 28.245 -20.564 2.213 1.00 0.00 H ATOM 1569 N PHE A 186 28.788 -18.226 4.717 1.00 46.29 N ATOM 1570 CA PHE A 186 28.615 -17.067 5.593 1.00 39.24 C ATOM 1571 C PHE A 186 27.486 -17.270 6.603 1.00 49.74 C ATOM 1572 O PHE A 186 27.667 -17.014 7.802 1.00 53.02 O ATOM 1573 CB PHE A 186 28.378 -15.819 4.742 1.00 41.23 C ATOM 1574 CG PHE A 186 28.175 -14.542 5.527 1.00 46.84 C ATOM 1575 CD1 PHE A 186 26.894 -14.157 5.913 1.00 40.48 C ATOM 1576 CD2 PHE A 186 29.247 -13.671 5.809 1.00 45.42 C ATOM 1577 CE1 PHE A 186 26.661 -12.963 6.619 1.00 49.43 C ATOM 1578 CE2 PHE A 186 29.018 -12.466 6.517 1.00 49.36 C ATOM 1579 CZ PHE A 186 27.723 -12.112 6.915 1.00 56.95 C ATOM 1580 H PHE A 186 28.718 -18.095 3.688 1.00 0.00 H ATOM 1581 N ILE A 187 26.301 -17.692 6.144 1.00 47.27 N ATOM 1582 CA ILE A 187 25.163 -17.809 7.062 1.00 45.60 C ATOM 1583 C ILE A 187 25.415 -18.899 8.093 1.00 45.11 C ATOM 1584 O ILE A 187 25.140 -18.709 9.281 1.00 48.11 O ATOM 1585 CB ILE A 187 23.857 -18.077 6.293 1.00 45.92 C ATOM 1586 CG1 ILE A 187 23.416 -16.832 5.536 1.00 58.45 C ATOM 1587 CG2 ILE A 187 22.757 -18.501 7.265 1.00 48.48 C ATOM 1588 CD1 ILE A 187 23.118 -15.617 6.435 1.00 58.78 C ATOM 1589 H ILE A 187 26.188 -17.936 5.139 1.00 0.00 H ATOM 1590 N PHE A 188 25.984 -20.044 7.668 1.00 45.21 N ATOM 1591 CA PHE A 188 26.211 -21.127 8.622 1.00 46.87 C ATOM 1592 C PHE A 188 27.233 -20.723 9.662 1.00 48.27 C ATOM 1593 O PHE A 188 27.047 -21.002 10.857 1.00 50.14 O ATOM 1594 CB PHE A 188 26.618 -22.431 7.921 1.00 50.22 C ATOM 1595 CG PHE A 188 25.463 -23.111 7.206 1.00 52.14 C ATOM 1596 CD1 PHE A 188 24.290 -22.397 6.942 1.00 59.12 C ATOM 1597 CD2 PHE A 188 25.534 -24.451 6.825 1.00 62.49 C ATOM 1598 CE1 PHE A 188 23.188 -23.004 6.284 1.00 62.48 C ATOM 1599 CE2 PHE A 188 24.441 -25.075 6.174 1.00 68.84 C ATOM 1600 CZ PHE A 188 23.253 -24.344 5.913 1.00 57.66 C ATOM 1601 H PHE A 188 26.259 -20.156 6.671 1.00 0.00 H ATOM 1602 N PHE A 189 28.302 -20.032 9.243 1.00 45.31 N ATOM 1603 CA PHE A 189 29.269 -19.491 10.204 1.00 49.02 C ATOM 1604 C PHE A 189 28.622 -18.497 11.173 1.00 55.31 C ATOM 1605 O PHE A 189 28.887 -18.507 12.380 1.00 46.42 O ATOM 1606 CB PHE A 189 30.414 -18.801 9.456 1.00 48.62 C ATOM 1607 CG PHE A 189 31.605 -18.562 10.303 1.00 50.53 C ATOM 1608 CD1 PHE A 189 32.561 -19.557 10.433 1.00 44.09 C ATOM 1609 CD2 PHE A 189 31.765 -17.360 11.005 1.00 46.68 C ATOM 1610 CE1 PHE A 189 33.697 -19.366 11.237 1.00 45.42 C ATOM 1611 CE2 PHE A 189 32.902 -17.146 11.819 1.00 45.18 C ATOM 1612 CZ PHE A 189 33.870 -18.164 11.934 1.00 49.21 C ATOM 1613 H PHE A 189 28.448 -19.878 8.225 1.00 0.00 H ATOM 1614 N VAL A 190 27.838 -17.567 10.649 1.00 52.10 N ATOM 1615 CA VAL A 190 27.234 -16.576 11.530 1.00 62.81 C ATOM 1616 C VAL A 190 26.301 -17.258 12.523 1.00 64.36 C ATOM 1617 O VAL A 190 26.328 -16.974 13.730 1.00 49.15 O ATOM 1618 CB VAL A 190 26.528 -15.515 10.675 1.00 63.09 C ATOM 1619 CG1 VAL A 190 25.420 -14.883 11.382 1.00 73.76 C ATOM 1620 CG2 VAL A 190 27.527 -14.525 10.226 1.00 47.03 C ATOM 1621 H VAL A 190 27.656 -17.544 9.625 1.00 0.00 H ATOM 1622 N GLN A 191 25.527 -18.233 12.046 1.00 53.41 N ATOM 1623 CA GLN A 191 24.630 -18.953 12.941 1.00 55.09 C ATOM 1624 C GLN A 191 25.395 -19.722 14.023 1.00 58.66 C ATOM 1625 O GLN A 191 25.002 -19.695 15.199 1.00 62.48 O ATOM 1626 CB GLN A 191 23.733 -19.862 12.107 1.00 51.94 C ATOM 1627 CG GLN A 191 22.556 -19.066 11.462 1.00 52.27 C ATOM 1628 CD GLN A 191 21.698 -19.886 10.497 1.00 56.71 C ATOM 1629 OE1 GLN A 191 22.107 -20.958 10.050 1.00 60.76 O ATOM 1630 NE2 GLN A 191 20.483 -19.388 10.195 1.00 62.10 N ATOM 1631 HE22 GLN A 191 20.180 -18.478 10.596 1.00 0.00 H ATOM 1632 HE21 GLN A 191 19.849 -19.914 9.561 1.00 0.00 H ATOM 1633 H GLN A 191 25.563 -18.480 11.036 1.00 0.00 H ATOM 1634 N GLU A 192 26.505 -20.382 13.658 1.00 58.30 N ATOM 1635 CA GLU A 192 27.227 -21.230 14.608 1.00 53.61 C ATOM 1636 C GLU A 192 27.729 -20.432 15.802 1.00 55.86 C ATOM 1637 O GLU A 192 27.726 -20.936 16.928 1.00 57.43 O ATOM 1638 CB GLU A 192 28.397 -21.939 13.909 1.00 52.74 C ATOM 1639 CG GLU A 192 29.444 -22.620 14.837 1.00 55.07 C ATOM 1640 CD GLU A 192 28.896 -23.721 15.735 1.00 60.07 C ATOM 1641 OE1 GLU A 192 29.386 -23.803 16.883 1.00 64.32 O ATOM 1642 OE2 GLU A 192 27.987 -24.483 15.326 1.00 59.68 O ATOM 1643 H GLU A 192 26.858 -20.289 12.684 1.00 0.00 H ATOM 1644 N PHE A 193 28.219 -19.211 15.565 1.00 52.67 N ATOM 1645 CA PHE A 193 28.812 -18.380 16.604 1.00 53.93 C ATOM 1646 C PHE A 193 27.921 -17.241 17.108 1.00 66.43 C ATOM 1647 O PHE A 193 28.411 -16.391 17.861 1.00 55.75 O ATOM 1648 CB PHE A 193 30.167 -17.885 16.123 1.00 53.59 C ATOM 1649 CG PHE A 193 31.118 -19.022 15.849 1.00 54.72 C ATOM 1650 CD1 PHE A 193 31.721 -19.720 16.906 1.00 55.88 C ATOM 1651 CD2 PHE A 193 31.360 -19.430 14.564 1.00 50.57 C ATOM 1652 CE1 PHE A 193 32.558 -20.775 16.685 1.00 56.84 C ATOM 1653 CE2 PHE A 193 32.202 -20.469 14.331 1.00 51.96 C ATOM 1654 CZ PHE A 193 32.809 -21.155 15.390 1.00 57.67 C ATOM 1655 H PHE A 193 28.175 -18.838 14.595 1.00 0.00 H ATOM 1656 N ASN A 194 26.641 -17.179 16.698 1.00 68.90 N ATOM 1657 CA ASN A 194 25.712 -16.158 17.212 1.00 67.35 C ATOM 1658 C ASN A 194 26.188 -14.756 16.866 1.00 56.85 C ATOM 1659 O ASN A 194 26.217 -13.872 17.718 1.00 62.98 O ATOM 1660 CB ASN A 194 25.524 -16.243 18.730 1.00 61.76 C ATOM 1661 CG ASN A 194 24.726 -17.427 19.164 1.00 64.23 C ATOM 1662 OD1 ASN A 194 25.128 -18.148 20.068 1.00 65.76 O ATOM 1663 ND2 ASN A 194 23.577 -17.623 18.557 1.00 65.03 N ATOM 1664 HD22 ASN A 194 23.277 -16.984 17.794 1.00 0.00 H ATOM 1665 HD21 ASN A 194 22.968 -18.417 18.840 1.00 0.00 H ATOM 1666 H ASN A 194 26.299 -17.870 16.000 1.00 0.00 H ATOM 1667 N LEU A 195 26.611 -14.555 15.631 1.00 54.73 N ATOM 1668 CA LEU A 195 27.215 -13.284 15.257 1.00 57.67 C ATOM 1669 C LEU A 195 26.241 -12.271 14.654 1.00 66.14 C ATOM 1670 O LEU A 195 26.593 -11.091 14.559 1.00 62.08 O ATOM 1671 CB LEU A 195 28.395 -13.537 14.288 1.00 48.92 C ATOM 1672 CG LEU A 195 29.440 -14.477 14.886 1.00 48.53 C ATOM 1673 CD1 LEU A 195 30.577 -14.882 13.957 1.00 45.47 C ATOM 1674 CD2 LEU A 195 29.967 -13.827 16.150 1.00 51.98 C ATOM 1675 H LEU A 195 26.512 -15.309 14.922 1.00 0.00 H ATOM 1676 N ILE A 196 25.026 -12.674 14.277 1.00 69.37 N ATOM 1677 CA ILE A 196 24.043 -11.760 13.692 1.00 60.78 C ATOM 1678 C ILE A 196 22.652 -12.125 14.219 1.00 62.68 C ATOM 1679 O ILE A 196 22.326 -13.311 14.351 1.00 59.23 O ATOM 1680 CB ILE A 196 24.077 -11.813 12.148 1.00 59.29 C ATOM 1681 CG1 ILE A 196 25.497 -11.578 11.571 1.00 58.48 C ATOM 1682 CG2 ILE A 196 23.067 -10.862 11.554 1.00 63.78 C ATOM 1683 CD1 ILE A 196 25.542 -11.468 10.018 1.00 49.36 C ATOM 1684 H ILE A 196 24.768 -13.674 14.403 1.00 0.00 H ATOM 1685 N ASP A 197 21.839 -11.104 14.531 1.00 62.43 N ATOM 1686 CA ASP A 197 20.468 -11.271 15.029 1.00 64.38 C ATOM 1687 C ASP A 197 19.495 -11.563 13.884 1.00 64.62 C ATOM 1688 O ASP A 197 19.737 -11.186 12.731 1.00 74.53 O ATOM 1689 CB ASP A 197 20.019 -10.018 15.800 1.00 69.32 C ATOM 1690 CG ASP A 197 20.626 -9.949 17.201 1.00 90.95 C ATOM 1691 OD1 ASP A 197 21.127 -8.878 17.603 1.00103.03 O ATOM 1692 OD2 ASP A 197 20.631 -10.990 17.893 1.00 86.28 O ATOM 1693 H ASP A 197 22.202 -10.137 14.413 1.00 0.00 H ATOM 1694 N ARG A 198 18.384 -12.254 14.207 1.00 78.21 N ATOM 1695 CA ARG A 198 17.306 -12.458 13.224 1.00 72.70 C ATOM 1696 C ARG A 198 16.845 -11.143 12.610 1.00 70.21 C ATOM 1697 O ARG A 198 16.557 -11.074 11.407 1.00 74.41 O ATOM 1698 CB ARG A 198 16.089 -13.144 13.856 1.00 79.81 C ATOM 1699 CG ARG A 198 16.390 -14.426 14.520 1.00 82.86 C ATOM 1700 CD ARG A 198 15.209 -15.333 14.776 1.00 77.57 C ATOM 1701 NE ARG A 198 15.766 -16.484 15.461 1.00 76.14 N ATOM 1702 CZ ARG A 198 16.043 -16.470 16.758 1.00 86.54 C ATOM 1703 NH1 ARG A 198 15.754 -15.393 17.504 1.00 85.45 N ATOM 1704 NH2 ARG A 198 16.594 -17.533 17.317 1.00 85.00 N ATOM 1705 HE ARG A 198 15.955 -17.350 14.916 1.00 0.00 H ATOM 1706 HH12 ARG A 198 15.974 -15.390 18.520 1.00 0.00 H ATOM 1707 HH11 ARG A 198 15.310 -14.561 17.066 1.00 0.00 H ATOM 1708 HH22 ARG A 198 16.815 -17.531 18.333 1.00 0.00 H ATOM 1709 HH21 ARG A 198 16.807 -18.372 16.741 1.00 0.00 H ATOM 1710 H ARG A 198 18.286 -12.649 15.164 1.00 0.00 H ATOM 1711 N ARG A 199 16.777 -10.133 13.433 1.00 71.49 N ATOM 1712 CA ARG A 199 16.381 -8.837 13.011 1.00 75.61 C ATOM 1713 C ARG A 199 17.090 -8.408 11.753 1.00 68.60 C ATOM 1714 O ARG A 199 16.485 -7.888 10.852 1.00 72.08 O ATOM 1715 CB ARG A 199 16.753 -7.870 14.118 1.00 20.00 C ATOM 1716 CG ARG A 199 15.693 -6.876 14.499 1.00 20.00 C ATOM 1717 CD ARG A 199 16.275 -5.504 14.795 1.00 20.00 C ATOM 1718 NE ARG A 199 15.221 -4.510 14.891 1.00 20.00 N ATOM 1719 CZ ARG A 199 14.377 -4.431 15.909 1.00 20.00 C ATOM 1720 NH1 ARG A 199 14.492 -5.280 16.919 1.00 20.00 N ATOM 1721 NH2 ARG A 199 13.419 -3.510 15.919 1.00 20.00 N ATOM 1722 HE ARG A 199 15.123 -3.822 14.117 1.00 0.00 H ATOM 1723 HH12 ARG A 199 13.834 -5.225 17.722 1.00 0.00 H ATOM 1724 HH11 ARG A 199 15.241 -6.002 16.909 1.00 0.00 H ATOM 1725 HH22 ARG A 199 12.760 -3.454 16.722 1.00 0.00 H ATOM 1726 HH21 ARG A 199 13.328 -2.845 15.124 1.00 0.00 H ATOM 1727 H ARG A 199 17.021 -10.283 14.433 1.00 0.00 H ATOM 1728 N GLU A 200 18.394 -8.604 11.700 1.00 68.43 N ATOM 1729 CA GLU A 200 19.195 -8.154 10.563 1.00 67.81 C ATOM 1730 C GLU A 200 19.136 -9.077 9.346 1.00 66.99 C ATOM 1731 O GLU A 200 19.337 -8.595 8.222 1.00 77.02 O ATOM 1732 CB GLU A 200 20.643 -7.934 10.991 1.00 62.59 C ATOM 1733 CG GLU A 200 20.728 -6.982 12.194 1.00 66.15 C ATOM 1734 CD GLU A 200 20.789 -5.526 11.776 1.00 85.68 C ATOM 1735 OE1 GLU A 200 21.258 -5.270 10.640 1.00100.40 O ATOM 1736 OE2 GLU A 200 20.321 -4.654 12.562 1.00 88.29 O ATOM 1737 H GLU A 200 18.865 -9.092 12.489 1.00 0.00 H ATOM 1738 N LEU A 201 18.846 -10.373 9.526 1.00 66.02 N ATOM 1739 CA LEU A 201 18.806 -11.340 8.420 1.00 66.09 C ATOM 1740 C LEU A 201 17.453 -11.424 7.735 1.00 73.82 C ATOM 1741 O LEU A 201 17.307 -12.189 6.767 1.00 70.82 O ATOM 1742 CB LEU A 201 19.178 -12.726 8.927 1.00 72.70 C ATOM 1743 CG LEU A 201 20.510 -12.837 9.655 1.00 69.05 C ATOM 1744 CD1 LEU A 201 20.578 -14.146 10.375 1.00 61.33 C ATOM 1745 CD2 LEU A 201 21.633 -12.758 8.632 1.00 55.12 C ATOM 1746 H LEU A 201 18.641 -10.708 10.489 1.00 0.00 H ATOM 1747 N ALA A 202 16.478 -10.657 8.227 1.00 75.96 N ATOM 1748 CA ALA A 202 15.145 -10.640 7.631 1.00 73.81 C ATOM 1749 C ALA A 202 15.111 -10.304 6.142 1.00 68.62 C ATOM 1750 O ALA A 202 14.231 -10.846 5.455 1.00 75.31 O ATOM 1751 CB ALA A 202 14.255 -9.675 8.426 1.00 72.39 C ATOM 1752 H ALA A 202 16.672 -10.057 9.054 1.00 0.00 H ATOM 1753 N PRO A 203 15.962 -9.424 5.582 1.00 78.70 N ATOM 1754 CA PRO A 203 15.902 -9.223 4.121 1.00 71.48 C ATOM 1755 C PRO A 203 16.077 -10.508 3.318 1.00 68.68 C ATOM 1756 O PRO A 203 15.480 -10.657 2.248 1.00 79.73 O ATOM 1757 CB PRO A 203 17.046 -8.233 3.868 1.00 68.41 C ATOM 1758 CG PRO A 203 17.140 -7.448 5.136 1.00 75.96 C ATOM 1759 CD PRO A 203 16.907 -8.464 6.207 1.00 68.33 C ATOM 1760 N LEU A 204 16.927 -11.421 3.780 1.00 71.83 N ATOM 1761 CA LEU A 204 17.177 -12.697 3.113 1.00 70.59 C ATOM 1762 C LEU A 204 16.435 -13.860 3.754 1.00 71.37 C ATOM 1763 O LEU A 204 16.740 -15.018 3.454 1.00 69.61 O ATOM 1764 CB LEU A 204 18.674 -12.965 3.017 1.00 61.62 C ATOM 1765 CG LEU A 204 19.223 -11.963 1.990 1.00 65.15 C ATOM 1766 CD1 LEU A 204 20.714 -12.137 1.745 1.00 62.39 C ATOM 1767 CD2 LEU A 204 18.420 -12.054 0.677 1.00 58.96 C ATOM 1768 H LEU A 204 17.440 -11.216 4.661 1.00 0.00 H ATOM 1769 N GLN A 205 15.473 -13.566 4.627 1.00 68.52 N ATOM 1770 CA GLN A 205 14.701 -14.562 5.361 1.00 76.33 C ATOM 1771 C GLN A 205 14.366 -15.812 4.548 1.00 73.18 C ATOM 1772 O GLN A 205 14.752 -16.921 4.929 1.00 71.87 O ATOM 1773 CB GLN A 205 13.410 -13.884 5.821 1.00 85.41 C ATOM 1774 CG GLN A 205 12.584 -14.615 6.838 1.00 89.09 C ATOM 1775 CD GLN A 205 11.858 -13.641 7.755 1.00103.94 C ATOM 1776 OE1 GLN A 205 11.902 -12.432 7.546 1.00114.66 O ATOM 1777 NE2 GLN A 205 11.161 -14.162 8.749 1.00108.07 N ATOM 1778 HE22 GLN A 205 11.150 -15.192 8.892 1.00 0.00 H ATOM 1779 HE21 GLN A 205 10.624 -13.542 9.388 1.00 0.00 H ATOM 1780 H GLN A 205 15.259 -12.562 4.796 1.00 0.00 H ATOM 1781 N GLU A 206 13.608 -15.653 3.452 1.00 74.40 N ATOM 1782 CA GLU A 206 13.204 -16.802 2.638 1.00 82.33 C ATOM 1783 C GLU A 206 14.406 -17.609 2.145 1.00 82.59 C ATOM 1784 O GLU A 206 14.357 -18.844 2.088 1.00 85.70 O ATOM 1785 CB GLU A 206 12.355 -16.343 1.448 1.00 79.53 C ATOM 1786 H GLU A 206 13.302 -14.698 3.176 1.00 0.00 H ATOM 1787 N LEU A 207 15.492 -16.933 1.775 1.00 70.09 N ATOM 1788 CA LEU A 207 16.658 -17.657 1.287 1.00 71.34 C ATOM 1789 C LEU A 207 17.361 -18.414 2.412 1.00 85.45 C ATOM 1790 O LEU A 207 17.820 -19.545 2.217 1.00 79.15 O ATOM 1791 CB LEU A 207 17.618 -16.682 0.617 1.00 75.83 C ATOM 1792 CG LEU A 207 18.554 -17.378 -0.353 1.00 76.54 C ATOM 1793 CD1 LEU A 207 17.777 -17.673 -1.632 1.00 76.49 C ATOM 1794 CD2 LEU A 207 19.756 -16.497 -0.612 1.00 65.97 C ATOM 1795 H LEU A 207 15.508 -15.895 1.834 1.00 0.00 H ATOM 1796 N ILE A 208 17.451 -17.800 3.596 1.00 87.68 N ATOM 1797 CA ILE A 208 18.114 -18.410 4.743 1.00 63.73 C ATOM 1798 C ILE A 208 17.347 -19.626 5.246 1.00 70.70 C ATOM 1799 O ILE A 208 17.946 -20.571 5.765 1.00 77.85 O ATOM 1800 CB ILE A 208 18.299 -17.351 5.856 1.00 66.53 C ATOM 1801 CG1 ILE A 208 19.331 -16.285 5.444 1.00 58.86 C ATOM 1802 CG2 ILE A 208 18.677 -17.997 7.192 1.00 65.80 C ATOM 1803 CD1 ILE A 208 19.489 -15.143 6.451 1.00 58.14 C ATOM 1804 H ILE A 208 17.033 -16.854 3.703 1.00 0.00 H ATOM 1805 N GLU A 209 16.016 -19.624 5.128 1.00 73.17 N ATOM 1806 CA GLU A 209 15.250 -20.795 5.540 1.00 84.22 C ATOM 1807 C GLU A 209 15.494 -21.980 4.608 1.00 88.70 C ATOM 1808 O GLU A 209 15.431 -23.135 5.052 1.00 80.78 O ATOM 1809 CB GLU A 209 13.753 -20.457 5.600 1.00 78.71 C ATOM 1810 H GLU A 209 15.528 -18.790 4.744 1.00 0.00 H ATOM 1811 N LYS A 210 15.779 -21.715 3.322 1.00 92.30 N ATOM 1812 CA LYS A 210 15.908 -22.788 2.335 1.00 88.23 C ATOM 1813 C LYS A 210 17.243 -23.516 2.450 1.00 81.22 C ATOM 1814 O LYS A 210 17.321 -24.706 2.131 1.00 94.45 O ATOM 1815 CB LYS A 210 15.723 -22.239 0.910 1.00 76.73 C ATOM 1816 H LYS A 210 15.911 -20.728 3.022 1.00 0.00 H ATOM 1817 N LEU A 211 18.285 -22.840 2.921 1.00 74.31 N ATOM 1818 CA LEU A 211 19.594 -23.473 3.089 1.00 73.16 C ATOM 1819 C LEU A 211 19.591 -24.581 4.141 1.00 79.16 C ATOM 1820 O LEU A 211 19.116 -24.377 5.267 1.00 88.95 O ATOM 1821 CB LEU A 211 20.632 -22.430 3.468 1.00 75.56 C ATOM 1822 CG LEU A 211 20.540 -21.045 2.815 1.00 75.46 C ATOM 1823 CD1 LEU A 211 21.352 -20.051 3.595 1.00 64.39 C ATOM 1824 CD2 LEU A 211 20.984 -21.074 1.369 1.00 80.28 C ATOM 1825 H LEU A 211 18.168 -21.839 3.176 1.00 0.00 H TER 1826 LEU A 211 HETATM 1827 ZN ZN A 1 23.084 -1.858 -6.704 1.00 87.36 ZN HETATM 1828 O HOH 2 38.799 -26.586 21.188 1.00 64.40 O HETATM 1829 O HOH 3 45.954 -5.666 12.116 1.00 62.93 O HETATM 1830 O HOH 4 30.608 1.940 13.352 1.00 68.11 O HETATM 1831 O HOH 5 34.637 -21.370 7.981 1.00 42.17 O HETATM 1832 O HOH 6 36.856 -19.719 3.964 1.00 53.05 O HETATM 1833 O HOH 7 37.267 -23.393 0.000 1.00 34.54 O HETATM 1834 O HOH 8 34.853 -17.202 3.326 1.00 38.80 O HETATM 1835 O HOH 9 32.687 -17.246 1.464 1.00 39.14 O HETATM 1836 O HOH 10 29.599 -19.322 -10.100 1.00 48.19 O HETATM 1837 O HOH 11 23.672 -15.581 13.982 1.00 51.52 O HETATM 1838 O HOH 12 33.025 -31.213 7.530 1.00 56.49 O HETATM 1839 O HOH 13 45.928 -18.114 0.009 1.00 41.76 O HETATM 1840 O HOH 14 41.232 -14.149 2.772 1.00 51.76 O HETATM 1841 O HOH 15 37.393 -18.566 0.303 1.00 37.59 O HETATM 1842 O HOH 16 26.072 -23.850 11.679 1.00 47.29 O HETATM 1843 O HOH 17 35.643 -23.851 7.525 1.00 42.91 O HETATM 1844 O HOH 18 38.821 -28.987 -0.246 1.00 45.49 O HETATM 1845 O HOH 19 42.916 -17.744 0.000 1.00 38.91 O HETATM 1846 O HOH 20 32.297 -24.488 17.358 1.00 45.85 O HETATM 1847 O HOH 21 35.331 -17.356 6.024 1.00 44.60 O HETATM 1848 O HOH 22 14.926 -14.202 0.283 1.00 61.25 O HETATM 1849 O HOH 23 33.336 -20.055 1.072 1.00 40.28 O HETATM 1850 O HOH 24 45.206 -15.454 0.000 1.00 56.12 O HETATM 1851 N TPO A 25 20.206 3.905 10.937 1.00 0.24 N HETATM 1852 CA TPO A 25 21.102 2.898 10.330 1.00 0.10 C HETATM 1853 CB TPO A 25 21.805 2.070 11.416 1.00 0.15 C HETATM 1854 CG2 TPO A 25 20.793 1.623 12.478 1.00 -0.03 C HETATM 1855 H6 TPO A 25 21.308 1.032 13.249 1.00 0.03 H HETATM 1856 H7 TPO A 25 20.013 1.009 12.005 1.00 0.03 H HETATM 1857 H8 TPO A 25 20.333 2.508 12.941 1.00 0.03 H HETATM 1858 OG1 TPO A 25 22.359 0.912 10.790 1.00 -0.27 O HETATM 1859 P TPO A 25 23.356 0.132 11.794 1.00 0.20 P HETATM 1860 O1P TPO A 25 22.660 -1.043 12.398 1.00 -0.55 O HETATM 1861 O2P TPO A 25 24.661 -0.231 10.911 1.00 -0.55 O HETATM 1862 O3P TPO A 25 23.902 1.079 12.969 1.00 -0.55 O HETATM 1863 H5 TPO A 25 22.601 2.666 11.887 1.00 0.07 H HETATM 1864 C TPO A 25 20.396 1.962 9.307 1.00 0.23 C HETATM 1865 O TPO A 25 20.822 1.865 8.146 1.00 -0.39 O HETATM 1866 N TPO A 25 19.315 1.316 9.752 1.00 -0.26 N HETATM 1867 CA TPO A 25 18.505 0.413 8.941 1.00 0.13 C HETATM 1868 C TPO A 25 17.019 0.786 8.970 1.00 0.20 C HETATM 1869 O TPO A 25 16.367 0.655 10.007 1.00 -0.39 O HETATM 1870 N TPO A 25 16.482 1.232 7.824 1.00 -0.26 N HETATM 1871 CA TPO A 25 15.104 1.702 7.734 1.00 0.13 C HETATM 1872 C TPO A 25 14.253 0.665 7.024 1.00 0.20 C HETATM 1873 O TPO A 25 14.726 -0.080 6.162 1.00 -0.39 O HETATM 1874 N TPO A 25 13.004 0.591 7.429 1.00 -0.26 N HETATM 1875 CA TPO A 25 12.014 -0.351 6.893 1.00 0.13 C HETATM 1876 C TPO A 25 11.072 0.483 5.996 1.00 0.21 C HETATM 1877 O TPO A 25 11.288 1.707 5.929 1.00 -0.39 O HETATM 1878 N TPO A 25 10.107 -0.142 5.209 1.00 -0.26 N HETATM 1879 CA TPO A 25 9.653 0.531 3.990 1.00 0.10 C HETATM 1880 C TPO A 25 9.868 2.027 3.808 1.00 0.06 C HETATM 1881 O TPO A 25 10.589 2.525 2.977 1.00 -0.57 O HETATM 1882 OXT TPO A 25 9.342 2.886 4.474 1.00 -0.57 O HETATM 1883 CB TPO A 25 8.164 0.227 3.998 1.00 -0.02 C HETATM 1884 CG TPO A 25 8.058 -1.104 4.713 1.00 -0.03 C HETATM 1885 CD TPO A 25 9.409 -1.424 5.193 1.00 0.04 C HETATM 1886 H34 TPO A 25 9.370 -1.857 6.203 1.00 0.05 H HETATM 1887 H35 TPO A 25 9.907 -2.129 4.511 1.00 0.05 H HETATM 1888 H32 TPO A 25 7.706 -1.882 4.019 1.00 0.03 H HETATM 1889 H33 TPO A 25 7.361 -1.026 5.561 1.00 0.03 H HETATM 1890 H30 TPO A 25 7.776 0.150 2.971 1.00 0.03 H HETATM 1891 H31 TPO A 25 7.610 1.006 4.542 1.00 0.03 H HETATM 1892 H29 TPO A 25 10.136 0.040 3.133 1.00 0.07 H HETATM 1893 CB TPO A 25 11.478 -1.108 8.114 1.00 -0.00 C HETATM 1894 CG TPO A 25 10.206 -2.016 8.168 1.00 0.00 C HETATM 1895 CD TPO A 25 8.875 -1.278 8.202 1.00 0.04 C HETATM 1896 OE1 TPO A 25 7.857 -1.987 8.175 1.00 -0.57 O HETATM 1897 OE2 TPO A 25 8.851 -0.052 8.191 1.00 -0.57 O HETATM 1898 H27 TPO A 25 10.272 -2.638 9.073 1.00 0.04 H HETATM 1899 H28 TPO A 25 10.213 -2.662 7.278 1.00 0.04 H HETATM 1900 H25 TPO A 25 11.307 -0.334 8.877 1.00 0.03 H HETATM 1901 H26 TPO A 25 12.306 -1.759 8.431 1.00 0.03 H HETATM 1902 H24 TPO A 25 12.505 -1.090 6.243 1.00 0.08 H HETATM 1903 H23 TPO A 25 12.709 1.218 8.150 1.00 0.19 H HETATM 1904 CB TPO A 25 14.987 3.063 7.022 1.00 -0.02 C HETATM 1905 H20 TPO A 25 13.931 3.367 6.983 1.00 0.03 H HETATM 1906 H21 TPO A 25 15.382 2.977 5.999 1.00 0.03 H HETATM 1907 H22 TPO A 25 15.565 3.817 7.576 1.00 0.03 H HETATM 1908 H19 TPO A 25 14.721 1.824 8.758 1.00 0.08 H HETATM 1909 H18 TPO A 25 17.048 1.243 7.000 1.00 0.19 H HETATM 1910 CB TPO A 25 18.693 -1.014 9.435 1.00 -0.00 C HETATM 1911 CG TPO A 25 17.724 -2.031 8.867 1.00 -0.00 C HETATM 1912 SD TPO A 25 18.243 -3.726 9.227 1.00 -0.16 S HETATM 1913 CE TPO A 25 16.896 -4.684 8.540 1.00 -0.02 C HETATM 1914 H15 TPO A 25 17.091 -5.755 8.695 1.00 0.03 H HETATM 1915 H16 TPO A 25 16.813 -4.479 7.463 1.00 0.03 H HETATM 1916 H17 TPO A 25 15.956 -4.406 9.040 1.00 0.03 H HETATM 1917 H13 TPO A 25 17.668 -1.900 7.776 1.00 0.04 H HETATM 1918 H14 TPO A 25 16.731 -1.861 9.308 1.00 0.04 H HETATM 1919 H11 TPO A 25 18.580 -1.012 10.529 1.00 0.03 H HETATM 1920 H12 TPO A 25 19.712 -1.333 9.172 1.00 0.03 H HETATM 1921 H10 TPO A 25 18.855 0.476 7.900 1.00 0.08 H HETATM 1922 H9 TPO A 25 19.043 1.461 10.703 1.00 0.19 H HETATM 1923 H4 TPO A 25 21.877 3.450 9.778 1.00 0.11 H HETATM 1924 H1 TPO A 25 20.729 4.473 11.585 1.00 0.20 H HETATM 1925 H2 TPO A 25 19.458 3.438 11.426 1.00 0.20 H HETATM 1926 H3 TPO A 25 19.820 4.491 10.213 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 34 35 41 42 43 CONECT 41 34 CONECT 42 34 CONECT 43 34 CONECT 577 576 1827 CONECT 617 616 1827 CONECT 1327 1325 1326 1827 CONECT 1384 1382 1383 1827 CONECT 1827 577 617 1327 1384 CONECT 1851 1852 1924 1925 1926 CONECT 1852 1851 1853 1864 1923 CONECT 1853 1852 1854 1858 1863 CONECT 1854 1853 1855 1856 1857 CONECT 1855 1854 CONECT 1856 1854 CONECT 1857 1854 CONECT 1858 1853 1859 CONECT 1859 1858 1860 1861 1862 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1859 CONECT 1863 1853 CONECT 1864 1852 1865 1866 CONECT 1865 1864 CONECT 1866 1864 1867 1922 CONECT 1867 1866 1868 1910 1921 CONECT 1868 1867 1869 1870 CONECT 1869 1868 CONECT 1870 1868 1871 1909 CONECT 1871 1870 1872 1904 1908 CONECT 1872 1871 1873 1874 CONECT 1873 1872 CONECT 1874 1872 1875 1903 CONECT 1875 1874 1876 1893 1902 CONECT 1876 1875 1877 1878 CONECT 1877 1876 CONECT 1878 1876 1879 1885 CONECT 1879 1878 1880 1883 1892 CONECT 1880 1879 1881 1882 CONECT 1881 1880 CONECT 1882 1880 CONECT 1883 1879 1884 1890 1891 CONECT 1884 1883 1885 1888 1889 CONECT 1885 1878 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1884 CONECT 1889 1884 CONECT 1890 1883 CONECT 1891 1883 CONECT 1892 1879 CONECT 1893 1875 1894 1900 1901 CONECT 1894 1893 1895 1898 1899 CONECT 1895 1894 1896 1897 CONECT 1896 1895 CONECT 1897 1895 CONECT 1898 1894 CONECT 1899 1894 CONECT 1900 1893 CONECT 1901 1893 CONECT 1902 1875 CONECT 1903 1874 CONECT 1904 1871 1905 1906 1907 CONECT 1905 1904 CONECT 1906 1904 CONECT 1907 1904 CONECT 1908 1871 CONECT 1909 1870 CONECT 1910 1867 1911 1919 1920 CONECT 1911 1910 1912 1917 1918 CONECT 1912 1911 1913 CONECT 1913 1912 1914 1915 1916 CONECT 1914 1913 CONECT 1915 1913 CONECT 1916 1913 CONECT 1917 1911 CONECT 1918 1911 CONECT 1919 1910 CONECT 1920 1910 CONECT 1921 1867 CONECT 1922 1866 CONECT 1923 1852 CONECT 1924 1851 CONECT 1925 1851 CONECT 1926 1851 MASTER 0 0 0 0 0 0 0 0 1924 2 88 16 END
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Entry Information
PDB ID
5twg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MOB kinase activator 1A
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.68uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Cell Proteomics Vol. 16: pp. 1098-1110
Ligand Properties
Formula
C
2
2
H
4
0
N
5
O
1
2
PS
Molecular Weight
629.618
Exact Mass
629.213
No. of atoms
81
No. of bonds
81
Polar Surface Area
318.66
LOGP Value
-3.13 (
Computed with XLOGP3
)
-2.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCC(=O)O)C)NC(=O)[C@H]([C@H](OP(O)(O)O)C)[NH3+]
InChI String
InChI=1S/C22H40N5O12PS/c1-11(18(30)26-14(6-7-16(28)29)21(33)27-9-4-5-15(27)22(34)35)24-19(31)13(8-10-41-3)25-20(32)17(23)12(2)39-40(36,37)38/h11-15,17,36-38,40H,4-10,23H2,1-3H3,(H,24,31)(H,25,32)(H,26,30)(H,28,29)(H,34,35)/p+1/t11-,12+,13-,14-,15-,17-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q13043
Q9H8S9
Entrez Gene ID
NCBI Entrez Gene ID:
6789
55233
ASD
Information of known allosteric effects of PDB entries
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