Browse entries in the PDBbind-CN Database
HEADER 4M5K_COMPLEX COMPND 4M5K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 MET THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SEQRES 2 A 159 SER PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU SEQRES 3 A 159 GLY ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER SEQRES 4 A 159 PHE TYR ARG THR PRO PRO LEU GLY PRO GLN ASP GLN PRO SEQRES 5 A 159 ASP TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER LEU SEQRES 6 A 159 ALA PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE GLU SEQRES 7 A 159 LEU GLN GLN GLY ARG VAL ARG LYS ALA GLU ARG TRP GLY SEQRES 8 A 159 PRO ARG THR LEU ASP LEU ASP ILE MET LEU PHE GLY ASN SEQRES 9 A 159 GLU VAL ILE ASN THR GLU ARG LEU THR VAL PRO HIS TYR SEQRES 10 A 159 ASP MET LYS ASN ARG GLY PHE MET LEU TRP PRO LEU PHE SEQRES 11 A 159 GLU ILE ALA PRO GLU LEU VAL PHE PRO ASP GLY GLU MET SEQRES 12 A 159 LEU ARG GLN ILE LEU HIS THR ARG ALA PHE ASP LYS LEU SEQRES 13 A 159 ASN LYS TRP HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET YH A 3 35 ATOM 1 N MET A 0 55.034 -6.470 58.733 1.00 26.73 N ATOM 2 CA MET A 0 55.056 -6.239 57.293 1.00 25.79 C ATOM 3 C MET A 0 54.156 -5.072 56.888 1.00 21.53 C ATOM 4 O MET A 0 53.164 -4.767 57.550 1.00 22.77 O ATOM 5 CB MET A 0 54.641 -7.507 56.536 1.00 29.46 C ATOM 6 CG MET A 0 55.507 -8.732 56.817 1.00 33.00 C ATOM 7 SD MET A 0 57.130 -8.665 56.032 1.00 35.69 S ATOM 8 CE MET A 0 56.812 -9.418 54.440 1.00 35.57 C ATOM 9 HN3 MET A 0 54.062 -6.688 59.033 1.00 0.00 H ATOM 10 HN2 MET A 0 55.366 -5.616 59.225 1.00 0.00 H ATOM 11 HN1 MET A 0 55.658 -7.270 58.964 1.00 0.00 H ATOM 12 N THR A 1 54.517 -4.432 55.785 1.00 15.87 N ATOM 13 CA THR A 1 53.770 -3.319 55.219 1.00 12.96 C ATOM 14 C THR A 1 53.580 -3.645 53.746 1.00 10.29 C ATOM 15 O THR A 1 54.422 -4.328 53.170 1.00 12.18 O ATOM 16 CB THR A 1 54.605 -2.039 55.365 1.00 15.36 C ATOM 17 OG1 THR A 1 54.793 -1.758 56.757 1.00 16.11 O ATOM 18 CG2 THR A 1 53.946 -0.854 54.696 1.00 17.37 C ATOM 19 HG1 THR A 1 55.266 -2.515 57.184 1.00 0.00 H ATOM 20 H THR A 1 55.382 -4.742 55.297 1.00 0.00 H ATOM 21 N VAL A 2 52.485 -3.199 53.134 1.00 8.45 N ATOM 22 CA VAL A 2 52.369 -3.317 51.683 1.00 8.06 C ATOM 23 C VAL A 2 52.769 -1.994 51.034 1.00 7.67 C ATOM 24 O VAL A 2 52.172 -0.944 51.302 1.00 8.79 O ATOM 25 CB VAL A 2 50.957 -3.719 51.222 1.00 9.46 C ATOM 26 CG1 VAL A 2 50.920 -3.867 49.705 1.00 10.31 C ATOM 27 CG2 VAL A 2 50.537 -5.008 51.891 1.00 11.31 C ATOM 28 H VAL A 2 51.716 -2.769 53.686 1.00 0.00 H ATOM 29 N ALA A 3 53.805 -2.050 50.203 1.00 6.31 N ATOM 30 CA ALA A 3 54.219 -0.916 49.392 1.00 6.43 C ATOM 31 C ALA A 3 53.644 -1.089 47.999 1.00 6.23 C ATOM 32 O ALA A 3 53.484 -2.213 47.508 1.00 8.40 O ATOM 33 CB ALA A 3 55.740 -0.830 49.329 1.00 8.26 C ATOM 34 H ALA A 3 54.340 -2.939 50.130 1.00 0.00 H ATOM 35 N TYR A 4 53.335 0.024 47.358 1.00 4.54 N ATOM 36 CA TYR A 4 52.824 -0.009 46.001 1.00 4.63 C ATOM 37 C TYR A 4 53.792 0.763 45.130 1.00 4.55 C ATOM 38 O TYR A 4 54.111 1.921 45.413 1.00 5.31 O ATOM 39 CB TYR A 4 51.409 0.572 45.928 1.00 5.24 C ATOM 40 CG TYR A 4 50.376 -0.257 46.665 1.00 5.70 C ATOM 41 CD1 TYR A 4 49.734 -1.327 46.040 1.00 6.48 C ATOM 42 CD2 TYR A 4 50.039 0.021 47.984 1.00 7.49 C ATOM 43 CE1 TYR A 4 48.790 -2.081 46.698 1.00 7.78 C ATOM 44 CE2 TYR A 4 49.092 -0.738 48.652 1.00 9.27 C ATOM 45 CZ TYR A 4 48.474 -1.788 47.999 1.00 9.31 C ATOM 46 OH TYR A 4 47.529 -2.560 48.631 1.00 12.04 O ATOM 47 HH TYR A 4 47.203 -3.257 48.008 1.00 0.00 H ATOM 48 H TYR A 4 53.460 0.940 47.835 1.00 0.00 H ATOM 49 N ILE A 5 54.271 0.098 44.084 1.00 4.36 N ATOM 50 CA ILE A 5 55.318 0.616 43.226 1.00 4.23 C ATOM 51 C ILE A 5 54.783 0.783 41.808 1.00 4.06 C ATOM 52 O ILE A 5 54.159 -0.129 41.254 1.00 5.10 O ATOM 53 CB ILE A 5 56.543 -0.328 43.222 1.00 5.72 C ATOM 54 CG1 ILE A 5 57.136 -0.437 44.635 1.00 8.35 C ATOM 55 CG2 ILE A 5 57.579 0.127 42.203 1.00 6.75 C ATOM 56 CD1 ILE A 5 58.153 -1.546 44.797 1.00 10.28 C ATOM 57 H ILE A 5 53.875 -0.840 43.871 1.00 0.00 H ATOM 58 N ALA A 6 54.991 1.965 41.241 1.00 4.19 N ATOM 59 CA ALA A 6 54.659 2.224 39.843 1.00 4.35 C ATOM 60 C ALA A 6 55.853 1.875 38.978 1.00 4.58 C ATOM 61 O ALA A 6 56.983 2.238 39.301 1.00 6.38 O ATOM 62 CB ALA A 6 54.273 3.690 39.641 1.00 5.81 C ATOM 63 H ALA A 6 55.404 2.731 41.811 1.00 0.00 H ATOM 64 N ILE A 7 55.593 1.171 37.881 1.00 4.51 N ATOM 65 CA ILE A 7 56.625 0.800 36.920 1.00 4.92 C ATOM 66 C ILE A 7 56.375 1.505 35.598 1.00 4.55 C ATOM 67 O ILE A 7 55.253 1.488 35.085 1.00 5.50 O ATOM 68 CB ILE A 7 56.641 -0.720 36.671 1.00 6.48 C ATOM 69 CG1 ILE A 7 56.754 -1.498 37.992 1.00 7.15 C ATOM 70 CG2 ILE A 7 57.794 -1.096 35.746 1.00 8.99 C ATOM 71 CD1 ILE A 7 56.619 -3.009 37.830 1.00 9.61 C ATOM 72 H ILE A 7 54.613 0.872 37.701 1.00 0.00 H ATOM 73 N GLY A 8 57.413 2.137 35.061 1.00 4.45 N ATOM 74 CA GLY A 8 57.335 2.724 33.740 1.00 4.86 C ATOM 75 C GLY A 8 58.584 2.399 32.942 1.00 4.77 C ATOM 76 O GLY A 8 59.686 2.301 33.491 1.00 5.84 O ATOM 77 H GLY A 8 58.299 2.211 35.600 1.00 0.00 H ATOM 78 N SER A 9 58.409 2.214 31.640 1.00 5.17 N ATOM 79 CA SER A 9 59.537 2.021 30.740 1.00 5.53 C ATOM 80 C SER A 9 59.129 2.484 29.348 1.00 4.85 C ATOM 81 O SER A 9 58.038 2.139 28.887 1.00 5.09 O ATOM 82 CB SER A 9 59.925 0.540 30.683 1.00 7.08 C ATOM 83 OG SER A 9 60.916 0.324 29.687 1.00 7.61 O ATOM 84 HG SER A 9 61.720 0.860 29.902 1.00 0.00 H ATOM 85 H SER A 9 57.444 2.207 31.253 1.00 0.00 H ATOM 86 N ASN A 10 59.985 3.242 28.664 1.00 5.56 N ATOM 87 CA ASN A 10 59.720 3.536 27.254 1.00 6.10 C ATOM 88 C ASN A 10 60.934 3.438 26.344 1.00 6.60 C ATOM 89 O ASN A 10 60.910 3.940 25.222 1.00 8.60 O ATOM 90 CB ASN A 10 58.987 4.871 27.047 1.00 6.29 C ATOM 91 CG ASN A 10 59.854 6.084 27.340 1.00 5.09 C ATOM 92 OD1 ASN A 10 60.866 5.999 28.043 1.00 6.28 O ATOM 93 ND2 ASN A 10 59.432 7.235 26.825 1.00 6.02 N ATOM 94 HD22 ASN A 10 58.574 7.259 26.238 1.00 0.00 H ATOM 95 HD21 ASN A 10 59.960 8.112 27.009 1.00 0.00 H ATOM 96 H ASN A 10 60.835 3.622 29.128 1.00 0.00 H ATOM 97 N LEU A 11 61.981 2.771 26.824 1.00 6.39 N ATOM 98 CA LEU A 11 63.189 2.548 26.036 1.00 7.21 C ATOM 99 C LEU A 11 63.653 1.103 26.124 1.00 7.80 C ATOM 100 O LEU A 11 63.395 0.415 27.109 1.00 8.55 O ATOM 101 CB LEU A 11 64.333 3.433 26.518 1.00 8.33 C ATOM 102 CG LEU A 11 64.203 4.943 26.406 1.00 9.29 C ATOM 103 CD1 LEU A 11 65.461 5.593 26.968 1.00 9.47 C ATOM 104 CD2 LEU A 11 63.977 5.382 24.961 1.00 10.33 C ATOM 105 H LEU A 11 61.937 2.396 27.793 1.00 0.00 H ATOM 106 N ALA A 12 64.349 0.662 25.075 1.00 8.73 N ATOM 107 CA ALA A 12 65.057 -0.614 25.052 1.00 10.14 C ATOM 108 C ALA A 12 64.155 -1.809 25.352 1.00 10.05 C ATOM 109 O ALA A 12 64.472 -2.649 26.208 1.00 10.91 O ATOM 110 CB ALA A 12 66.247 -0.578 26.004 1.00 11.22 C ATOM 111 H ALA A 12 64.389 1.261 24.226 1.00 0.00 H ATOM 112 N SER A 13 63.040 -1.878 24.624 1.00 10.37 N ATOM 113 CA SER A 13 62.064 -2.964 24.729 1.00 10.12 C ATOM 114 C SER A 13 61.378 -2.980 26.091 1.00 8.60 C ATOM 115 O SER A 13 61.712 -3.798 26.960 1.00 8.66 O ATOM 116 CB SER A 13 62.702 -4.323 24.428 1.00 12.51 C ATOM 117 OG SER A 13 63.373 -4.304 23.181 1.00 15.95 O ATOM 118 HG SER A 13 63.776 -5.192 23.011 1.00 0.00 H ATOM 119 H SER A 13 62.853 -1.116 23.942 1.00 0.00 H ATOM 120 N PRO A 14 60.401 -2.078 26.281 1.00 8.38 N ATOM 121 CA PRO A 14 59.712 -1.943 27.566 1.00 7.53 C ATOM 122 C PRO A 14 59.173 -3.253 28.151 1.00 7.21 C ATOM 123 O PRO A 14 59.277 -3.443 29.359 1.00 7.82 O ATOM 124 CB PRO A 14 58.583 -0.966 27.239 1.00 8.36 C ATOM 125 CG PRO A 14 59.200 -0.067 26.214 1.00 9.12 C ATOM 126 CD PRO A 14 59.987 -1.021 25.338 1.00 9.08 C ATOM 127 N LEU A 15 58.630 -4.149 27.333 1.00 7.16 N ATOM 128 CA LEU A 15 58.137 -5.419 27.864 1.00 8.50 C ATOM 129 C LEU A 15 59.262 -6.219 28.524 1.00 9.28 C ATOM 130 O LEU A 15 59.090 -6.778 29.605 1.00 9.34 O ATOM 131 CB LEU A 15 57.460 -6.250 26.776 1.00 9.51 C ATOM 132 CG LEU A 15 56.863 -7.567 27.273 1.00 10.89 C ATOM 133 CD1 LEU A 15 55.811 -7.288 28.331 1.00 12.27 C ATOM 134 CD2 LEU A 15 56.289 -8.359 26.103 1.00 11.85 C ATOM 135 H LEU A 15 58.556 -3.947 26.316 1.00 0.00 H ATOM 136 N GLU A 16 60.418 -6.273 27.871 1.00 9.68 N ATOM 137 CA GLU A 16 61.570 -6.965 28.440 1.00 10.13 C ATOM 138 C GLU A 16 62.067 -6.269 29.711 1.00 8.51 C ATOM 139 O GLU A 16 62.436 -6.933 30.681 1.00 8.77 O ATOM 140 CB GLU A 16 62.681 -7.074 27.400 1.00 13.04 C ATOM 141 CG GLU A 16 62.316 -8.033 26.286 1.00 17.68 C ATOM 142 CD GLU A 16 63.217 -7.933 25.085 1.00 22.94 C ATOM 143 OE1 GLU A 16 64.445 -7.765 25.260 1.00 25.11 O ATOM 144 OE2 GLU A 16 62.685 -8.013 23.958 1.00 24.60 O ATOM 145 H GLU A 16 60.503 -5.815 26.941 1.00 0.00 H ATOM 146 N GLN A 17 62.070 -4.936 29.709 1.00 8.03 N ATOM 147 CA GLN A 17 62.501 -4.192 30.892 1.00 7.17 C ATOM 148 C GLN A 17 61.578 -4.448 32.072 1.00 6.31 C ATOM 149 O GLN A 17 62.037 -4.654 33.192 1.00 7.30 O ATOM 150 CB GLN A 17 62.547 -2.687 30.613 1.00 8.64 C ATOM 151 CG GLN A 17 63.512 -2.290 29.503 1.00 9.49 C ATOM 152 CD GLN A 17 64.972 -2.511 29.863 1.00 10.70 C ATOM 153 OE1 GLN A 17 65.327 -2.633 31.034 1.00 11.30 O ATOM 154 NE2 GLN A 17 65.828 -2.526 28.856 1.00 12.42 N ATOM 155 HE22 GLN A 17 65.485 -2.419 27.880 1.00 0.00 H ATOM 156 HE21 GLN A 17 66.845 -2.644 29.040 1.00 0.00 H ATOM 157 H GLN A 17 61.763 -4.421 28.859 1.00 0.00 H ATOM 158 N VAL A 18 60.273 -4.438 31.825 1.00 6.29 N ATOM 159 CA VAL A 18 59.321 -4.618 32.914 1.00 6.76 C ATOM 160 C VAL A 18 59.343 -6.050 33.447 1.00 6.74 C ATOM 161 O VAL A 18 59.309 -6.271 34.658 1.00 6.83 O ATOM 162 CB VAL A 18 57.915 -4.130 32.503 1.00 7.60 C ATOM 163 CG1 VAL A 18 56.883 -4.457 33.563 1.00 8.79 C ATOM 164 CG2 VAL A 18 57.966 -2.619 32.257 1.00 7.59 C ATOM 165 H VAL A 18 59.930 -4.301 30.853 1.00 0.00 H ATOM 166 N ASN A 19 59.431 -7.030 32.560 1.00 7.28 N ATOM 167 CA ASN A 19 59.535 -8.402 33.027 1.00 7.58 C ATOM 168 C ASN A 19 60.803 -8.622 33.862 1.00 6.88 C ATOM 169 O ASN A 19 60.769 -9.284 34.908 1.00 7.49 O ATOM 170 CB ASN A 19 59.490 -9.379 31.854 1.00 8.86 C ATOM 171 CG ASN A 19 58.081 -9.576 31.304 1.00 10.29 C ATOM 172 OD1 ASN A 19 57.089 -9.336 31.994 1.00 10.69 O ATOM 173 ND2 ASN A 19 57.991 -10.044 30.067 1.00 11.93 N ATOM 174 HD22 ASN A 19 58.854 -10.233 29.519 1.00 0.00 H ATOM 175 HD21 ASN A 19 57.057 -10.222 29.645 1.00 0.00 H ATOM 176 H ASN A 19 59.426 -6.820 31.541 1.00 0.00 H ATOM 177 N ALA A 20 61.921 -8.065 33.403 1.00 7.29 N ATOM 178 CA ALA A 20 63.164 -8.166 34.161 1.00 8.00 C ATOM 179 C ALA A 20 63.026 -7.472 35.518 1.00 7.08 C ATOM 180 O ALA A 20 63.531 -7.965 36.525 1.00 7.81 O ATOM 181 CB ALA A 20 64.334 -7.588 33.364 1.00 8.97 C ATOM 182 H ALA A 20 61.909 -7.554 32.497 1.00 0.00 H ATOM 183 N ALA A 21 62.324 -6.341 35.555 1.00 6.71 N ATOM 184 CA ALA A 21 62.141 -5.607 36.798 1.00 6.21 C ATOM 185 C ALA A 21 61.295 -6.405 37.776 1.00 5.97 C ATOM 186 O ALA A 21 61.552 -6.381 38.977 1.00 6.52 O ATOM 187 CB ALA A 21 61.506 -4.256 36.524 1.00 7.11 C ATOM 188 H ALA A 21 61.899 -5.976 34.679 1.00 0.00 H ATOM 189 N LEU A 22 60.290 -7.118 37.271 1.00 6.32 N ATOM 190 CA LEU A 22 59.456 -7.941 38.140 1.00 6.97 C ATOM 191 C LEU A 22 60.260 -9.084 38.763 1.00 7.16 C ATOM 192 O LEU A 22 60.076 -9.417 39.943 1.00 8.22 O ATOM 193 CB LEU A 22 58.245 -8.479 37.375 1.00 7.55 C ATOM 194 CG LEU A 22 57.202 -7.436 36.981 1.00 8.84 C ATOM 195 CD1 LEU A 22 56.197 -8.040 36.028 1.00 9.80 C ATOM 196 CD2 LEU A 22 56.501 -6.896 38.214 1.00 9.68 C ATOM 197 H LEU A 22 60.098 -7.088 36.249 1.00 0.00 H ATOM 198 N LYS A 23 61.149 -9.691 37.980 1.00 7.40 N ATOM 199 CA LYS A 23 62.036 -10.710 38.528 1.00 7.75 C ATOM 200 C LYS A 23 62.913 -10.094 39.627 1.00 6.74 C ATOM 201 O LYS A 23 63.061 -10.658 40.717 1.00 8.08 O ATOM 202 CB LYS A 23 62.881 -11.341 37.416 1.00 9.64 C ATOM 203 CG LYS A 23 63.884 -12.386 37.884 1.00 12.58 C ATOM 204 CD LYS A 23 64.754 -12.893 36.734 1.00 15.46 C ATOM 205 CE LYS A 23 63.994 -13.856 35.826 1.00 16.79 C ATOM 206 NZ LYS A 23 64.869 -14.436 34.762 1.00 16.93 N ATOM 207 HZ1 LYS A 23 65.252 -13.669 34.173 1.00 0.00 H ATOM 208 HZ2 LYS A 23 65.652 -14.958 35.205 1.00 0.00 H ATOM 209 HZ3 LYS A 23 64.310 -15.083 34.170 1.00 0.00 H ATOM 210 H LYS A 23 61.211 -9.437 36.973 1.00 0.00 H ATOM 211 N ALA A 24 63.469 -8.918 39.356 1.00 6.19 N ATOM 212 CA ALA A 24 64.351 -8.264 40.310 1.00 6.32 C ATOM 213 C ALA A 24 63.610 -7.831 41.575 1.00 6.30 C ATOM 214 O ALA A 24 64.137 -7.969 42.681 1.00 6.71 O ATOM 215 CB ALA A 24 65.042 -7.074 39.664 1.00 7.60 C ATOM 216 H ALA A 24 63.270 -8.457 38.445 1.00 0.00 H ATOM 217 N LEU A 25 62.389 -7.318 41.429 1.00 6.02 N ATOM 218 CA LEU A 25 61.580 -6.986 42.601 1.00 6.58 C ATOM 219 C LEU A 25 61.341 -8.212 43.491 1.00 6.83 C ATOM 220 O LEU A 25 61.346 -8.104 44.718 1.00 7.65 O ATOM 221 CB LEU A 25 60.245 -6.371 42.181 1.00 8.05 C ATOM 222 CG LEU A 25 60.314 -4.969 41.571 1.00 8.97 C ATOM 223 CD1 LEU A 25 59.010 -4.588 40.897 1.00 11.24 C ATOM 224 CD2 LEU A 25 60.696 -3.933 42.624 1.00 10.09 C ATOM 225 H LEU A 25 62.009 -7.153 40.475 1.00 0.00 H ATOM 226 N GLY A 26 61.133 -9.379 42.886 1.00 7.62 N ATOM 227 CA GLY A 26 60.954 -10.598 43.664 1.00 8.91 C ATOM 228 C GLY A 26 62.194 -10.921 44.486 1.00 8.80 C ATOM 229 O GLY A 26 62.097 -11.495 45.576 1.00 10.54 O ATOM 230 H GLY A 26 61.098 -9.421 41.847 1.00 0.00 H ATOM 231 N ASP A 27 63.362 -10.541 43.973 1.00 7.80 N ATOM 232 CA ASP A 27 64.632 -10.815 44.644 1.00 8.74 C ATOM 233 C ASP A 27 65.019 -9.798 45.717 1.00 8.31 C ATOM 234 O ASP A 27 66.061 -9.944 46.353 1.00 10.20 O ATOM 235 CB ASP A 27 65.772 -10.947 43.626 1.00 12.40 C ATOM 236 CG ASP A 27 65.682 -12.214 42.801 1.00 16.34 C ATOM 237 OD1 ASP A 27 65.135 -13.224 43.291 1.00 17.78 O ATOM 238 OD2 ASP A 27 66.177 -12.205 41.657 1.00 18.16 O ATOM 239 H ASP A 27 63.372 -10.033 43.066 1.00 0.00 H ATOM 240 N ILE A 28 64.204 -8.766 45.910 1.00 7.55 N ATOM 241 CA ILE A 28 64.432 -7.836 47.012 1.00 7.33 C ATOM 242 C ILE A 28 64.237 -8.590 48.328 1.00 7.71 C ATOM 243 O ILE A 28 63.246 -9.309 48.488 1.00 7.88 O ATOM 244 CB ILE A 28 63.475 -6.639 46.926 1.00 7.18 C ATOM 245 CG1 ILE A 28 63.786 -5.837 45.665 1.00 7.01 C ATOM 246 CG2 ILE A 28 63.598 -5.744 48.145 1.00 8.45 C ATOM 247 CD1 ILE A 28 62.922 -4.615 45.471 1.00 7.52 C ATOM 248 H ILE A 28 63.397 -8.620 45.271 1.00 0.00 H ATOM 249 N PRO A 29 65.189 -8.450 49.268 1.00 8.20 N ATOM 250 CA PRO A 29 65.086 -9.174 50.540 1.00 8.61 C ATOM 251 C PRO A 29 63.969 -8.634 51.433 1.00 8.55 C ATOM 252 O PRO A 29 63.541 -7.482 51.277 1.00 8.46 O ATOM 253 CB PRO A 29 66.449 -8.931 51.193 1.00 10.38 C ATOM 254 CG PRO A 29 66.904 -7.637 50.629 1.00 11.36 C ATOM 255 CD PRO A 29 66.417 -7.638 49.201 1.00 10.26 C ATOM 256 N GLU A 30 63.518 -9.475 52.365 1.00 8.40 N ATOM 257 CA GLU A 30 62.459 -9.126 53.312 1.00 8.75 C ATOM 258 C GLU A 30 61.173 -8.677 52.625 1.00 8.22 C ATOM 259 O GLU A 30 60.387 -7.922 53.197 1.00 9.11 O ATOM 260 CB GLU A 30 62.933 -8.061 54.306 1.00 10.90 C ATOM 261 CG GLU A 30 64.111 -8.480 55.158 1.00 14.41 C ATOM 262 CD GLU A 30 64.501 -7.410 56.154 1.00 18.02 C ATOM 263 OE1 GLU A 30 63.595 -6.868 56.826 1.00 19.46 O ATOM 264 OE2 GLU A 30 65.709 -7.102 56.257 1.00 19.65 O ATOM 265 H GLU A 30 63.939 -10.424 52.421 1.00 0.00 H ATOM 266 N SER A 31 60.945 -9.167 51.411 1.00 8.18 N ATOM 267 CA SER A 31 59.867 -8.654 50.577 1.00 8.51 C ATOM 268 C SER A 31 59.283 -9.750 49.688 1.00 9.09 C ATOM 269 O SER A 31 59.990 -10.671 49.292 1.00 10.73 O ATOM 270 CB SER A 31 60.380 -7.497 49.712 1.00 8.35 C ATOM 271 OG SER A 31 60.999 -6.495 50.506 1.00 8.52 O ATOM 272 HG SER A 31 60.342 -6.137 51.155 1.00 0.00 H ATOM 273 H SER A 31 61.549 -9.933 51.049 1.00 0.00 H ATOM 274 N HIS A 32 57.997 -9.628 49.362 1.00 8.84 N ATOM 275 CA HIS A 32 57.315 -10.564 48.469 1.00 9.24 C ATOM 276 C HIS A 32 56.328 -9.805 47.599 1.00 7.07 C ATOM 277 O HIS A 32 55.575 -8.978 48.111 1.00 7.31 O ATOM 278 CB HIS A 32 56.534 -11.619 49.272 1.00 12.39 C ATOM 279 CG HIS A 32 57.395 -12.529 50.090 1.00 17.47 C ATOM 280 ND1 HIS A 32 58.063 -13.605 49.547 1.00 19.71 N ATOM 281 CD2 HIS A 32 57.693 -12.527 51.411 1.00 19.51 C ATOM 282 CE1 HIS A 32 58.733 -14.230 50.500 1.00 19.45 C ATOM 283 NE2 HIS A 32 58.528 -13.593 51.640 1.00 20.03 N ATOM 284 H HIS A 32 57.455 -8.834 49.759 1.00 0.00 H ATOM 285 N ILE A 33 56.313 -10.085 46.297 1.00 5.76 N ATOM 286 CA ILE A 33 55.293 -9.524 45.426 1.00 5.34 C ATOM 287 C ILE A 33 53.950 -10.184 45.724 1.00 5.34 C ATOM 288 O ILE A 33 53.848 -11.414 45.719 1.00 5.41 O ATOM 289 CB ILE A 33 55.633 -9.748 43.936 1.00 5.68 C ATOM 290 CG1 ILE A 33 56.922 -9.018 43.549 1.00 8.06 C ATOM 291 CG2 ILE A 33 54.473 -9.316 43.042 1.00 5.72 C ATOM 292 CD1 ILE A 33 57.356 -9.301 42.133 1.00 10.85 C ATOM 293 H ILE A 33 57.040 -10.713 45.898 1.00 0.00 H ATOM 294 N LEU A 34 52.926 -9.370 45.981 1.00 4.85 N ATOM 295 CA LEU A 34 51.569 -9.880 46.188 1.00 5.64 C ATOM 296 C LEU A 34 50.712 -9.880 44.915 1.00 5.49 C ATOM 297 O LEU A 34 49.879 -10.785 44.694 1.00 6.65 O ATOM 298 CB LEU A 34 50.846 -9.059 47.259 1.00 6.74 C ATOM 299 CG LEU A 34 51.479 -8.985 48.648 1.00 7.16 C ATOM 300 CD1 LEU A 34 50.581 -8.217 49.612 1.00 9.15 C ATOM 301 CD2 LEU A 34 51.791 -10.378 49.199 1.00 8.66 C ATOM 302 H LEU A 34 53.095 -8.345 46.036 1.00 0.00 H ATOM 303 N THR A 35 50.906 -8.855 44.090 1.00 4.25 N ATOM 304 CA THR A 35 50.015 -8.625 42.961 1.00 5.07 C ATOM 305 C THR A 35 50.716 -7.814 41.888 1.00 4.36 C ATOM 306 O THR A 35 51.430 -6.856 42.195 1.00 5.20 O ATOM 307 CB THR A 35 48.756 -7.834 43.377 1.00 7.09 C ATOM 308 OG1 THR A 35 48.366 -8.192 44.708 1.00 9.17 O ATOM 309 CG2 THR A 35 47.608 -8.111 42.405 1.00 8.22 C ATOM 310 HG1 THR A 35 47.559 -7.679 44.963 1.00 0.00 H ATOM 311 H THR A 35 51.705 -8.209 44.253 1.00 0.00 H ATOM 312 N VAL A 36 50.522 -8.206 40.630 1.00 4.73 N ATOM 313 CA VAL A 36 51.010 -7.444 39.483 1.00 5.14 C ATOM 314 C VAL A 36 49.815 -7.036 38.632 1.00 4.93 C ATOM 315 O VAL A 36 48.952 -7.867 38.331 1.00 6.03 O ATOM 316 CB VAL A 36 51.970 -8.277 38.609 1.00 6.52 C ATOM 317 CG1 VAL A 36 52.537 -7.423 37.486 1.00 7.23 C ATOM 318 CG2 VAL A 36 53.090 -8.892 39.459 1.00 8.35 C ATOM 319 H VAL A 36 50.002 -9.090 40.457 1.00 0.00 H ATOM 320 N SER A 37 49.741 -5.758 38.271 1.00 4.78 N ATOM 321 CA SER A 37 48.666 -5.291 37.396 1.00 4.88 C ATOM 322 C SER A 37 48.851 -5.771 35.961 1.00 5.40 C ATOM 323 O SER A 37 49.879 -6.351 35.607 1.00 6.11 O ATOM 324 CB SER A 37 48.611 -3.762 37.394 1.00 5.79 C ATOM 325 OG SER A 37 49.686 -3.210 36.648 1.00 4.99 O ATOM 326 HG SER A 37 49.635 -3.529 35.712 1.00 0.00 H ATOM 327 H SER A 37 50.455 -5.084 38.614 1.00 0.00 H ATOM 328 N SER A 38 47.862 -5.483 35.124 1.00 5.53 N ATOM 329 CA SER A 38 48.054 -5.568 33.686 1.00 6.12 C ATOM 330 C SER A 38 49.104 -4.562 33.234 1.00 5.89 C ATOM 331 O SER A 38 49.437 -3.611 33.958 1.00 5.65 O ATOM 332 CB SER A 38 46.744 -5.286 32.950 1.00 7.43 C ATOM 333 OG SER A 38 45.759 -6.247 33.264 1.00 7.83 O ATOM 334 HG SER A 38 45.582 -6.231 34.238 1.00 0.00 H ATOM 335 H SER A 38 46.938 -5.193 35.502 1.00 0.00 H ATOM 336 N PHE A 39 49.626 -4.769 32.034 1.00 5.62 N ATOM 337 CA PHE A 39 50.543 -3.809 31.439 1.00 5.94 C ATOM 338 C PHE A 39 49.739 -2.890 30.527 1.00 5.95 C ATOM 339 O PHE A 39 48.884 -3.370 29.772 1.00 6.97 O ATOM 340 CB PHE A 39 51.617 -4.533 30.627 1.00 6.49 C ATOM 341 CG PHE A 39 52.521 -5.425 31.452 1.00 6.62 C ATOM 342 CD1 PHE A 39 52.583 -5.307 32.834 1.00 7.10 C ATOM 343 CD2 PHE A 39 53.325 -6.370 30.832 1.00 7.44 C ATOM 344 CE1 PHE A 39 53.428 -6.122 33.576 1.00 7.79 C ATOM 345 CE2 PHE A 39 54.162 -7.181 31.569 1.00 8.96 C ATOM 346 CZ PHE A 39 54.214 -7.057 32.939 1.00 8.61 C ATOM 347 H PHE A 39 49.376 -5.631 31.509 1.00 0.00 H ATOM 348 N TYR A 40 50.022 -1.588 30.587 1.00 5.71 N ATOM 349 CA TYR A 40 49.285 -0.592 29.821 1.00 6.17 C ATOM 350 C TYR A 40 50.217 0.196 28.915 1.00 6.17 C ATOM 351 O TYR A 40 51.343 0.513 29.308 1.00 6.89 O ATOM 352 CB TYR A 40 48.557 0.364 30.764 1.00 6.60 C ATOM 353 CG TYR A 40 47.526 -0.332 31.615 1.00 6.73 C ATOM 354 CD1 TYR A 40 46.224 -0.475 31.170 1.00 8.90 C ATOM 355 CD2 TYR A 40 47.859 -0.875 32.852 1.00 6.75 C ATOM 356 CE1 TYR A 40 45.269 -1.115 31.934 1.00 9.69 C ATOM 357 CE2 TYR A 40 46.906 -1.520 33.639 1.00 7.14 C ATOM 358 CZ TYR A 40 45.609 -1.633 33.168 1.00 8.99 C ATOM 359 OH TYR A 40 44.649 -2.267 33.915 1.00 10.79 O ATOM 360 HH TYR A 40 44.923 -3.205 34.076 1.00 0.00 H ATOM 361 H TYR A 40 50.798 -1.272 31.204 1.00 0.00 H ATOM 362 N ARG A 41 49.746 0.503 27.708 1.00 6.23 N ATOM 363 CA ARG A 41 50.500 1.339 26.785 1.00 6.32 C ATOM 364 C ARG A 41 49.933 2.754 26.836 1.00 6.50 C ATOM 365 O ARG A 41 48.793 2.986 26.450 1.00 8.28 O ATOM 366 CB ARG A 41 50.391 0.788 25.365 1.00 8.30 C ATOM 367 CG ARG A 41 51.036 1.698 24.323 1.00 10.72 C ATOM 368 CD ARG A 41 50.928 1.164 22.904 1.00 14.62 C ATOM 369 NE ARG A 41 51.925 0.132 22.676 1.00 18.13 N ATOM 370 CZ ARG A 41 51.650 -1.164 22.691 1.00 19.69 C ATOM 371 NH1 ARG A 41 50.404 -1.559 22.903 1.00 21.05 N ATOM 372 NH2 ARG A 41 52.607 -2.060 22.487 1.00 20.22 N ATOM 373 HE ARG A 41 52.905 0.426 22.491 1.00 0.00 H ATOM 374 HH12 ARG A 41 50.175 -2.573 22.917 1.00 0.00 H ATOM 375 HH11 ARG A 41 49.654 -0.855 23.055 1.00 0.00 H ATOM 376 HH22 ARG A 41 52.381 -3.075 22.501 1.00 0.00 H ATOM 377 HH21 ARG A 41 53.584 -1.747 22.313 1.00 0.00 H ATOM 378 H ARG A 41 48.817 0.137 27.418 1.00 0.00 H ATOM 379 N THR A 42 50.722 3.690 27.347 1.00 6.19 N ATOM 380 CA THR A 42 50.189 4.998 27.706 1.00 5.79 C ATOM 381 C THR A 42 50.937 6.121 26.977 1.00 6.49 C ATOM 382 O THR A 42 52.161 6.069 26.808 1.00 6.81 O ATOM 383 CB THR A 42 50.276 5.207 29.228 1.00 6.62 C ATOM 384 OG1 THR A 42 51.653 5.205 29.627 1.00 6.60 O ATOM 385 CG2 THR A 42 49.543 4.100 29.974 1.00 7.59 C ATOM 386 HG1 THR A 42 51.712 5.339 30.606 1.00 0.00 H ATOM 387 H THR A 42 51.732 3.488 27.493 1.00 0.00 H ATOM 388 N PRO A 43 50.202 7.148 26.530 1.00 6.18 N ATOM 389 CA PRO A 43 50.857 8.285 25.876 1.00 6.68 C ATOM 390 C PRO A 43 51.644 9.087 26.907 1.00 7.11 C ATOM 391 O PRO A 43 51.210 9.200 28.047 1.00 6.82 O ATOM 392 CB PRO A 43 49.682 9.104 25.333 1.00 9.15 C ATOM 393 CG PRO A 43 48.528 8.742 26.217 1.00 10.10 C ATOM 394 CD PRO A 43 48.741 7.314 26.618 1.00 8.43 C ATOM 395 N PRO A 44 52.793 9.647 26.513 1.00 6.79 N ATOM 396 CA PRO A 44 53.635 10.331 27.505 1.00 6.72 C ATOM 397 C PRO A 44 53.019 11.623 28.038 1.00 6.86 C ATOM 398 O PRO A 44 52.492 12.438 27.277 1.00 7.94 O ATOM 399 CB PRO A 44 54.921 10.636 26.728 1.00 7.71 C ATOM 400 CG PRO A 44 54.504 10.646 25.296 1.00 9.01 C ATOM 401 CD PRO A 44 53.394 9.647 25.169 1.00 7.56 C ATOM 402 N LEU A 45 53.108 11.788 29.353 1.00 6.82 N ATOM 403 CA LEU A 45 52.756 13.028 30.037 1.00 9.25 C ATOM 404 C LEU A 45 54.034 13.814 30.286 1.00 9.72 C ATOM 405 O LEU A 45 55.075 13.225 30.571 1.00 11.68 O ATOM 406 CB LEU A 45 52.106 12.715 31.384 1.00 13.63 C ATOM 407 CG LEU A 45 50.593 12.801 31.560 1.00 17.97 C ATOM 408 CD1 LEU A 45 50.186 12.376 32.968 1.00 18.17 C ATOM 409 CD2 LEU A 45 50.116 14.217 31.289 1.00 19.46 C ATOM 410 H LEU A 45 53.447 10.990 29.927 1.00 0.00 H ATOM 411 N GLY A 46 53.954 15.139 30.217 1.00 9.78 N ATOM 412 CA GLY A 46 55.144 15.974 30.251 1.00 10.80 C ATOM 413 C GLY A 46 55.629 16.176 28.829 1.00 9.22 C ATOM 414 O GLY A 46 54.823 16.470 27.945 1.00 9.64 O ATOM 415 H GLY A 46 53.020 15.588 30.137 1.00 0.00 H ATOM 416 N PRO A 47 56.942 15.999 28.588 1.00 8.56 N ATOM 417 CA PRO A 47 57.404 16.074 27.200 1.00 8.48 C ATOM 418 C PRO A 47 56.816 14.925 26.389 1.00 7.05 C ATOM 419 O PRO A 47 56.709 13.794 26.868 1.00 8.12 O ATOM 420 CB PRO A 47 58.931 15.971 27.322 1.00 10.63 C ATOM 421 CG PRO A 47 59.172 15.316 28.611 1.00 12.48 C ATOM 422 CD PRO A 47 58.034 15.692 29.526 1.00 10.76 C ATOM 423 N GLN A 48 56.394 15.230 25.171 1.00 5.95 N ATOM 424 CA GLN A 48 55.692 14.259 24.357 1.00 5.99 C ATOM 425 C GLN A 48 56.538 13.715 23.212 1.00 6.36 C ATOM 426 O GLN A 48 56.090 12.832 22.483 1.00 6.88 O ATOM 427 CB GLN A 48 54.388 14.870 23.830 1.00 6.43 C ATOM 428 CG GLN A 48 53.400 15.224 24.926 1.00 7.12 C ATOM 429 CD GLN A 48 52.225 16.022 24.411 1.00 7.59 C ATOM 430 OE1 GLN A 48 52.382 17.153 23.959 1.00 8.10 O ATOM 431 NE2 GLN A 48 51.044 15.431 24.454 1.00 7.33 N ATOM 432 HE22 GLN A 48 50.957 14.471 24.846 1.00 0.00 H ATOM 433 HE21 GLN A 48 50.202 15.925 24.096 1.00 0.00 H ATOM 434 H GLN A 48 56.570 16.183 24.793 1.00 0.00 H ATOM 435 N ASP A 49 57.752 14.239 23.050 1.00 5.89 N ATOM 436 CA ASP A 49 58.633 13.788 21.977 1.00 6.12 C ATOM 437 C ASP A 49 59.447 12.576 22.442 1.00 5.63 C ATOM 438 O ASP A 49 60.681 12.596 22.464 1.00 6.35 O ATOM 439 CB ASP A 49 59.535 14.927 21.456 1.00 7.04 C ATOM 440 CG ASP A 49 60.422 15.537 22.538 1.00 8.74 C ATOM 441 OD1 ASP A 49 60.101 15.394 23.734 1.00 9.50 O ATOM 442 OD2 ASP A 49 61.448 16.168 22.195 1.00 10.48 O ATOM 443 H ASP A 49 58.078 14.983 23.700 1.00 0.00 H ATOM 444 N GLN A 50 58.733 11.513 22.805 1.00 5.17 N ATOM 445 CA GLN A 50 59.351 10.275 23.260 1.00 5.10 C ATOM 446 C GLN A 50 58.348 9.152 23.032 1.00 5.88 C ATOM 447 O GLN A 50 57.163 9.419 22.827 1.00 6.03 O ATOM 448 CB GLN A 50 59.727 10.388 24.743 1.00 6.04 C ATOM 449 CG GLN A 50 58.552 10.685 25.677 1.00 6.27 C ATOM 450 CD GLN A 50 58.960 10.780 27.138 1.00 6.42 C ATOM 451 OE1 GLN A 50 59.784 10.001 27.619 1.00 5.96 O ATOM 452 NE2 GLN A 50 58.364 11.723 27.856 1.00 8.49 N ATOM 453 HE22 GLN A 50 57.674 12.359 27.408 1.00 0.00 H ATOM 454 HE21 GLN A 50 58.587 11.826 28.867 1.00 0.00 H ATOM 455 H GLN A 50 57.695 11.568 22.762 1.00 0.00 H ATOM 456 N PRO A 51 58.810 7.891 23.043 1.00 5.01 N ATOM 457 CA PRO A 51 57.886 6.774 22.800 1.00 5.83 C ATOM 458 C PRO A 51 56.849 6.618 23.912 1.00 4.96 C ATOM 459 O PRO A 51 57.033 7.123 25.026 1.00 5.49 O ATOM 460 CB PRO A 51 58.807 5.552 22.781 1.00 6.85 C ATOM 461 CG PRO A 51 60.185 6.119 22.449 1.00 7.25 C ATOM 462 CD PRO A 51 60.208 7.435 23.157 1.00 6.84 C ATOM 463 N ASP A 52 55.743 5.950 23.591 1.00 5.70 N ATOM 464 CA ASP A 52 54.752 5.594 24.596 1.00 5.91 C ATOM 465 C ASP A 52 55.374 4.723 25.683 1.00 5.79 C ATOM 466 O ASP A 52 56.321 3.963 25.434 1.00 6.57 O ATOM 467 CB ASP A 52 53.591 4.822 23.969 1.00 6.70 C ATOM 468 CG ASP A 52 52.689 5.687 23.096 1.00 8.85 C ATOM 469 OD1 ASP A 52 52.802 6.937 23.115 1.00 8.63 O ATOM 470 OD2 ASP A 52 51.835 5.092 22.396 1.00 12.12 O ATOM 471 H ASP A 52 55.584 5.677 22.600 1.00 0.00 H ATOM 472 N TYR A 53 54.804 4.807 26.878 1.00 5.64 N ATOM 473 CA TYR A 53 55.267 4.033 28.021 1.00 5.00 C ATOM 474 C TYR A 53 54.524 2.717 28.165 1.00 4.96 C ATOM 475 O TYR A 53 53.341 2.616 27.808 1.00 5.86 O ATOM 476 CB TYR A 53 55.061 4.836 29.314 1.00 5.07 C ATOM 477 CG TYR A 53 56.152 5.846 29.567 1.00 5.34 C ATOM 478 CD1 TYR A 53 56.140 7.094 28.950 1.00 6.38 C ATOM 479 CD2 TYR A 53 57.220 5.533 30.397 1.00 7.28 C ATOM 480 CE1 TYR A 53 57.161 8.009 29.168 1.00 8.14 C ATOM 481 CE2 TYR A 53 58.245 6.444 30.623 1.00 7.92 C ATOM 482 CZ TYR A 53 58.216 7.671 29.993 1.00 8.77 C ATOM 483 OH TYR A 53 59.233 8.571 30.216 1.00 10.72 O ATOM 484 HH TYR A 53 59.063 9.395 29.694 1.00 0.00 H ATOM 485 H TYR A 53 53.996 5.450 27.003 1.00 0.00 H ATOM 486 N LEU A 54 55.221 1.722 28.711 1.00 4.28 N ATOM 487 CA LEU A 54 54.563 0.603 29.374 1.00 4.97 C ATOM 488 C LEU A 54 54.458 1.009 30.840 1.00 4.91 C ATOM 489 O LEU A 54 55.480 1.297 31.473 1.00 6.29 O ATOM 490 CB LEU A 54 55.378 -0.686 29.225 1.00 5.61 C ATOM 491 CG LEU A 54 54.660 -1.996 29.568 1.00 6.55 C ATOM 492 CD1 LEU A 54 55.487 -3.176 29.111 1.00 8.05 C ATOM 493 CD2 LEU A 54 54.373 -2.136 31.055 1.00 7.34 C ATOM 494 H LEU A 54 56.260 1.744 28.663 1.00 0.00 H ATOM 495 N ASN A 55 53.234 1.062 31.364 1.00 3.95 N ATOM 496 CA ASN A 55 53.014 1.314 32.788 1.00 4.37 C ATOM 497 C ASN A 55 52.340 0.142 33.473 1.00 4.71 C ATOM 498 O ASN A 55 51.484 -0.532 32.890 1.00 5.81 O ATOM 499 CB ASN A 55 52.171 2.568 33.007 1.00 5.71 C ATOM 500 CG ASN A 55 52.975 3.836 32.862 1.00 5.65 C ATOM 501 OD1 ASN A 55 52.727 4.638 31.964 1.00 5.98 O ATOM 502 ND2 ASN A 55 53.943 4.034 33.753 1.00 7.01 N ATOM 503 HD22 ASN A 55 54.118 3.328 34.496 1.00 0.00 H ATOM 504 HD21 ASN A 55 54.525 4.895 33.706 1.00 0.00 H ATOM 505 H ASN A 55 52.412 0.920 30.743 1.00 0.00 H ATOM 506 N ALA A 56 52.725 -0.080 34.724 1.00 4.57 N ATOM 507 CA ALA A 56 52.129 -1.112 35.547 1.00 4.53 C ATOM 508 C ALA A 56 52.260 -0.709 37.010 1.00 4.39 C ATOM 509 O ALA A 56 52.922 0.279 37.337 1.00 5.56 O ATOM 510 CB ALA A 56 52.812 -2.461 35.287 1.00 5.77 C ATOM 511 H ALA A 56 53.482 0.508 35.128 1.00 0.00 H ATOM 512 N ALA A 57 51.626 -1.479 37.882 1.00 4.53 N ATOM 513 CA ALA A 57 51.762 -1.309 39.320 1.00 4.78 C ATOM 514 C ALA A 57 51.951 -2.674 39.965 1.00 3.99 C ATOM 515 O ALA A 57 51.438 -3.683 39.478 1.00 4.81 O ATOM 516 CB ALA A 57 50.535 -0.623 39.902 1.00 6.72 C ATOM 517 H ALA A 57 51.007 -2.234 37.524 1.00 0.00 H ATOM 518 N VAL A 58 52.674 -2.687 41.080 1.00 4.64 N ATOM 519 CA VAL A 58 52.922 -3.900 41.838 1.00 5.10 C ATOM 520 C VAL A 58 52.684 -3.622 43.312 1.00 4.24 C ATOM 521 O VAL A 58 53.030 -2.546 43.817 1.00 4.88 O ATOM 522 CB VAL A 58 54.376 -4.382 41.619 1.00 8.74 C ATOM 523 CG1 VAL A 58 54.714 -5.575 42.494 1.00 11.41 C ATOM 524 CG2 VAL A 58 54.575 -4.737 40.186 1.00 10.48 C ATOM 525 H VAL A 58 53.078 -1.792 41.423 1.00 0.00 H ATOM 526 N ALA A 59 52.073 -4.595 43.982 1.00 4.28 N ATOM 527 CA ALA A 59 51.946 -4.596 45.431 1.00 4.51 C ATOM 528 C ALA A 59 53.066 -5.470 45.977 1.00 4.41 C ATOM 529 O ALA A 59 53.184 -6.640 45.604 1.00 5.98 O ATOM 530 CB ALA A 59 50.598 -5.149 45.842 1.00 5.98 C ATOM 531 H ALA A 59 51.668 -5.390 43.447 1.00 0.00 H ATOM 532 N LEU A 60 53.895 -4.886 46.838 1.00 4.61 N ATOM 533 CA LEU A 60 55.051 -5.556 47.414 1.00 5.40 C ATOM 534 C LEU A 60 54.953 -5.539 48.933 1.00 5.85 C ATOM 535 O LEU A 60 55.056 -4.486 49.552 1.00 7.80 O ATOM 536 CB LEU A 60 56.344 -4.855 46.978 1.00 6.61 C ATOM 537 CG LEU A 60 57.649 -5.533 47.421 1.00 7.05 C ATOM 538 CD1 LEU A 60 57.997 -6.708 46.509 1.00 8.44 C ATOM 539 CD2 LEU A 60 58.796 -4.537 47.491 1.00 8.50 C ATOM 540 H LEU A 60 53.707 -3.901 47.113 1.00 0.00 H ATOM 541 N GLU A 61 54.746 -6.707 49.531 1.00 6.61 N ATOM 542 CA GLU A 61 54.765 -6.817 50.984 1.00 8.28 C ATOM 543 C GLU A 61 56.217 -6.780 51.465 1.00 7.37 C ATOM 544 O GLU A 61 57.064 -7.468 50.910 1.00 8.81 O ATOM 545 CB GLU A 61 54.095 -8.124 51.400 1.00 11.00 C ATOM 546 CG GLU A 61 53.853 -8.272 52.883 1.00 15.60 C ATOM 547 CD GLU A 61 53.086 -9.535 53.201 1.00 20.33 C ATOM 548 OE1 GLU A 61 53.712 -10.612 53.281 1.00 23.27 O ATOM 549 OE2 GLU A 61 51.853 -9.447 53.359 1.00 22.86 O ATOM 550 H GLU A 61 54.568 -7.554 48.955 1.00 0.00 H ATOM 551 N THR A 62 56.522 -5.978 52.480 1.00 6.85 N ATOM 552 CA THR A 62 57.919 -5.831 52.881 1.00 7.22 C ATOM 553 C THR A 62 58.079 -5.539 54.368 1.00 7.79 C ATOM 554 O THR A 62 57.202 -4.933 54.985 1.00 8.79 O ATOM 555 CB THR A 62 58.623 -4.718 52.050 1.00 8.31 C ATOM 556 OG1 THR A 62 60.028 -4.716 52.332 1.00 7.99 O ATOM 557 CG2 THR A 62 58.037 -3.347 52.365 1.00 9.35 C ATOM 558 HG1 THR A 62 60.413 -5.596 52.093 1.00 0.00 H ATOM 559 H THR A 62 55.774 -5.460 52.984 1.00 0.00 H ATOM 560 N SER A 63 59.205 -5.965 54.940 1.00 8.17 N ATOM 561 CA SER A 63 59.572 -5.541 56.286 1.00 9.29 C ATOM 562 C SER A 63 60.784 -4.620 56.241 1.00 9.29 C ATOM 563 O SER A 63 61.331 -4.260 57.284 1.00 10.76 O ATOM 564 CB SER A 63 59.815 -6.734 57.226 1.00 11.02 C ATOM 565 OG SER A 63 60.803 -7.611 56.725 1.00 14.31 O ATOM 566 HG SER A 63 61.656 -7.120 56.621 1.00 0.00 H ATOM 567 H SER A 63 59.832 -6.610 54.418 1.00 0.00 H ATOM 568 N LEU A 64 61.184 -4.220 55.033 1.00 8.83 N ATOM 569 CA LEU A 64 62.255 -3.242 54.882 1.00 8.40 C ATOM 570 C LEU A 64 61.811 -1.870 55.362 1.00 8.34 C ATOM 571 O LEU A 64 60.625 -1.538 55.314 1.00 8.59 O ATOM 572 CB LEU A 64 62.673 -3.115 53.422 1.00 8.49 C ATOM 573 CG LEU A 64 63.332 -4.320 52.756 1.00 8.09 C ATOM 574 CD1 LEU A 64 63.600 -3.991 51.301 1.00 9.24 C ATOM 575 CD2 LEU A 64 64.621 -4.716 53.484 1.00 10.03 C ATOM 576 H LEU A 64 60.725 -4.612 54.186 1.00 0.00 H ATOM 577 N ALA A 65 62.772 -1.066 55.801 1.00 8.62 N ATOM 578 CA ALA A 65 62.531 0.355 56.002 1.00 9.08 C ATOM 579 C ALA A 65 62.248 0.989 54.638 1.00 8.05 C ATOM 580 O ALA A 65 62.762 0.525 53.622 1.00 7.38 O ATOM 581 CB ALA A 65 63.742 1.001 56.647 1.00 10.83 C ATOM 582 H ALA A 65 63.713 -1.459 56.005 1.00 0.00 H ATOM 583 N PRO A 66 61.452 2.072 54.605 1.00 7.78 N ATOM 584 CA PRO A 66 61.119 2.720 53.327 1.00 7.72 C ATOM 585 C PRO A 66 62.352 3.112 52.494 1.00 6.69 C ATOM 586 O PRO A 66 62.381 2.858 51.287 1.00 6.77 O ATOM 587 CB PRO A 66 60.335 3.961 53.758 1.00 9.58 C ATOM 588 CG PRO A 66 59.812 3.654 55.099 1.00 10.81 C ATOM 589 CD PRO A 66 60.758 2.694 55.746 1.00 9.02 C ATOM 590 N GLU A 67 63.368 3.703 53.115 1.00 7.11 N ATOM 591 CA GLU A 67 64.572 4.060 52.360 1.00 8.07 C ATOM 592 C GLU A 67 65.388 2.844 51.934 1.00 7.40 C ATOM 593 O GLU A 67 66.117 2.910 50.951 1.00 7.77 O ATOM 594 CB GLU A 67 65.451 5.045 53.123 1.00 10.71 C ATOM 595 CG GLU A 67 64.877 6.441 53.174 1.00 14.24 C ATOM 596 CD GLU A 67 65.899 7.466 53.595 1.00 18.04 C ATOM 597 OE1 GLU A 67 66.778 7.129 54.417 1.00 19.95 O ATOM 598 OE2 GLU A 67 65.829 8.607 53.098 1.00 20.57 O ATOM 599 H GLU A 67 63.309 3.911 54.132 1.00 0.00 H ATOM 600 N GLU A 68 65.269 1.741 52.668 1.00 7.71 N ATOM 601 CA GLU A 68 65.909 0.493 52.258 1.00 8.44 C ATOM 602 C GLU A 68 65.246 -0.029 50.993 1.00 6.99 C ATOM 603 O GLU A 68 65.920 -0.534 50.095 1.00 8.47 O ATOM 604 CB GLU A 68 65.783 -0.578 53.341 1.00 11.89 C ATOM 605 CG GLU A 68 66.760 -0.507 54.492 1.00 17.45 C ATOM 606 CD GLU A 68 66.650 -1.730 55.407 1.00 20.43 C ATOM 607 OE1 GLU A 68 65.565 -1.968 56.000 1.00 19.61 O ATOM 608 OE2 GLU A 68 67.655 -2.461 55.531 1.00 22.52 O ATOM 609 H GLU A 68 64.713 1.767 53.546 1.00 0.00 H ATOM 610 N LEU A 69 63.920 0.076 50.918 1.00 6.24 N ATOM 611 CA LEU A 69 63.232 -0.305 49.689 1.00 5.99 C ATOM 612 C LEU A 69 63.716 0.576 48.534 1.00 5.77 C ATOM 613 O LEU A 69 64.012 0.078 47.446 1.00 6.38 O ATOM 614 CB LEU A 69 61.718 -0.199 49.849 1.00 6.99 C ATOM 615 CG LEU A 69 60.905 -0.534 48.593 1.00 6.93 C ATOM 616 CD1 LEU A 69 61.234 -1.932 48.057 1.00 7.46 C ATOM 617 CD2 LEU A 69 59.422 -0.385 48.887 1.00 7.46 C ATOM 618 H LEU A 69 63.377 0.428 51.732 1.00 0.00 H ATOM 619 N LEU A 70 63.813 1.881 48.775 1.00 5.28 N ATOM 620 CA LEU A 70 64.327 2.800 47.758 1.00 4.85 C ATOM 621 C LEU A 70 65.726 2.414 47.279 1.00 5.09 C ATOM 622 O LEU A 70 66.030 2.499 46.085 1.00 5.31 O ATOM 623 CB LEU A 70 64.331 4.239 48.277 1.00 5.58 C ATOM 624 CG LEU A 70 64.801 5.292 47.269 1.00 6.56 C ATOM 625 CD1 LEU A 70 63.817 5.468 46.129 1.00 7.32 C ATOM 626 CD2 LEU A 70 65.020 6.613 47.972 1.00 7.61 C ATOM 627 H LEU A 70 63.519 2.254 49.700 1.00 0.00 H ATOM 628 N ASN A 71 66.577 1.989 48.209 1.00 5.04 N ATOM 629 CA ASN A 71 67.913 1.545 47.835 1.00 5.46 C ATOM 630 C ASN A 71 67.848 0.459 46.766 1.00 5.42 C ATOM 631 O ASN A 71 68.582 0.483 45.777 1.00 5.93 O ATOM 632 CB ASN A 71 68.667 1.005 49.052 1.00 7.90 C ATOM 633 CG ASN A 71 69.066 2.085 50.030 1.00 8.78 C ATOM 634 OD1 ASN A 71 69.060 3.270 49.710 1.00 9.31 O ATOM 635 ND2 ASN A 71 69.425 1.675 51.237 1.00 9.93 N ATOM 636 HD22 ASN A 71 69.415 0.661 51.466 1.00 0.00 H ATOM 637 HD21 ASN A 71 69.716 2.367 51.956 1.00 0.00 H ATOM 638 H ASN A 71 66.287 1.974 49.208 1.00 0.00 H ATOM 639 N HIS A 72 66.963 -0.505 46.978 1.00 4.97 N ATOM 640 CA HIS A 72 66.798 -1.605 46.043 1.00 5.21 C ATOM 641 C HIS A 72 66.168 -1.177 44.723 1.00 4.60 C ATOM 642 O HIS A 72 66.609 -1.616 43.666 1.00 5.63 O ATOM 643 CB HIS A 72 66.004 -2.733 46.685 1.00 5.95 C ATOM 644 CG HIS A 72 66.790 -3.504 47.691 1.00 6.94 C ATOM 645 ND1 HIS A 72 67.671 -4.502 47.333 1.00 8.64 N ATOM 646 CD2 HIS A 72 66.852 -3.411 49.038 1.00 7.99 C ATOM 647 CE1 HIS A 72 68.236 -4.995 48.418 1.00 9.51 C ATOM 648 NE2 HIS A 72 67.753 -4.356 49.469 1.00 9.69 N ATOM 649 H HIS A 72 66.373 -0.473 47.834 1.00 0.00 H ATOM 650 N THR A 73 65.144 -0.328 44.767 1.00 4.65 N ATOM 651 CA THR A 73 64.524 0.097 43.511 1.00 4.74 C ATOM 652 C THR A 73 65.488 0.920 42.648 1.00 4.66 C ATOM 653 O THR A 73 65.544 0.738 41.430 1.00 5.35 O ATOM 654 CB THR A 73 63.169 0.816 43.708 1.00 5.12 C ATOM 655 OG1 THR A 73 63.357 2.012 44.472 1.00 5.20 O ATOM 656 CG2 THR A 73 62.177 -0.094 44.436 1.00 6.51 C ATOM 657 HG1 THR A 73 63.980 2.614 43.992 1.00 0.00 H ATOM 658 H THR A 73 64.790 0.027 45.678 1.00 0.00 H ATOM 659 N GLN A 74 66.270 1.799 43.273 1.00 4.80 N ATOM 660 CA GLN A 74 67.301 2.550 42.544 1.00 4.72 C ATOM 661 C GLN A 74 68.366 1.622 41.963 1.00 4.76 C ATOM 662 O GLN A 74 68.806 1.796 40.823 1.00 5.29 O ATOM 663 CB GLN A 74 67.944 3.612 43.440 1.00 5.52 C ATOM 664 CG GLN A 74 67.013 4.761 43.790 1.00 5.77 C ATOM 665 CD GLN A 74 67.670 5.799 44.669 1.00 6.82 C ATOM 666 OE1 GLN A 74 68.627 5.498 45.391 1.00 7.84 O ATOM 667 NE2 GLN A 74 67.155 7.025 44.627 1.00 7.16 N ATOM 668 HE22 GLN A 74 66.349 7.229 44.003 1.00 0.00 H ATOM 669 HE21 GLN A 74 67.559 7.779 45.219 1.00 0.00 H ATOM 670 H GLN A 74 66.149 1.956 44.294 1.00 0.00 H ATOM 671 N ARG A 75 68.786 0.634 42.746 1.00 4.90 N ATOM 672 CA ARG A 75 69.766 -0.329 42.263 1.00 5.20 C ATOM 673 C ARG A 75 69.249 -1.033 41.018 1.00 4.74 C ATOM 674 O ARG A 75 69.963 -1.163 40.029 1.00 5.61 O ATOM 675 CB ARG A 75 70.102 -1.359 43.341 1.00 6.33 C ATOM 676 CG ARG A 75 70.953 -2.504 42.829 1.00 6.65 C ATOM 677 CD ARG A 75 71.230 -3.548 43.890 1.00 7.24 C ATOM 678 NE ARG A 75 70.002 -4.072 44.497 1.00 7.06 N ATOM 679 CZ ARG A 75 69.181 -4.956 43.927 1.00 7.39 C ATOM 680 NH1 ARG A 75 69.446 -5.442 42.715 1.00 7.83 N ATOM 681 NH2 ARG A 75 68.097 -5.369 44.577 1.00 7.39 N ATOM 682 HE ARG A 75 69.752 -3.728 45.446 1.00 0.00 H ATOM 683 HH12 ARG A 75 68.801 -6.131 42.278 1.00 0.00 H ATOM 684 HH11 ARG A 75 70.298 -5.133 42.206 1.00 0.00 H ATOM 685 HH22 ARG A 75 67.456 -6.058 44.134 1.00 0.00 H ATOM 686 HH21 ARG A 75 67.890 -5.003 45.528 1.00 0.00 H ATOM 687 H ARG A 75 68.412 0.548 43.712 1.00 0.00 H ATOM 688 N ILE A 76 67.997 -1.473 41.054 1.00 5.18 N ATOM 689 CA ILE A 76 67.420 -2.179 39.908 1.00 4.82 C ATOM 690 C ILE A 76 67.368 -1.280 38.659 1.00 4.94 C ATOM 691 O ILE A 76 67.738 -1.706 37.564 1.00 6.32 O ATOM 692 CB ILE A 76 66.026 -2.746 40.262 1.00 5.44 C ATOM 693 CG1 ILE A 76 66.149 -3.798 41.373 1.00 5.72 C ATOM 694 CG2 ILE A 76 65.324 -3.291 39.024 1.00 6.36 C ATOM 695 CD1 ILE A 76 64.823 -4.150 42.025 1.00 6.53 C ATOM 696 H ILE A 76 67.420 -1.315 41.905 1.00 0.00 H ATOM 697 N GLU A 77 66.924 -0.036 38.825 1.00 5.30 N ATOM 698 CA GLU A 77 66.929 0.912 37.712 1.00 5.52 C ATOM 699 C GLU A 77 68.324 1.066 37.106 1.00 5.71 C ATOM 700 O GLU A 77 68.507 0.999 35.883 1.00 6.98 O ATOM 701 CB GLU A 77 66.438 2.284 38.177 1.00 6.00 C ATOM 702 CG GLU A 77 64.963 2.342 38.532 1.00 5.62 C ATOM 703 CD GLU A 77 64.591 3.592 39.316 1.00 7.48 C ATOM 704 OE1 GLU A 77 65.335 3.959 40.254 1.00 8.97 O ATOM 705 OE2 GLU A 77 63.553 4.213 39.009 1.00 8.30 O ATOM 706 H GLU A 77 66.570 0.264 39.756 1.00 0.00 H ATOM 707 N LEU A 78 69.316 1.277 37.962 1.00 5.44 N ATOM 708 CA LEU A 78 70.690 1.429 37.490 1.00 5.93 C ATOM 709 C LEU A 78 71.228 0.167 36.818 1.00 6.81 C ATOM 710 O LEU A 78 71.923 0.246 35.804 1.00 7.81 O ATOM 711 CB LEU A 78 71.601 1.841 38.646 1.00 6.37 C ATOM 712 CG LEU A 78 71.317 3.223 39.231 1.00 7.20 C ATOM 713 CD1 LEU A 78 72.144 3.423 40.488 1.00 8.42 C ATOM 714 CD2 LEU A 78 71.602 4.328 38.214 1.00 8.25 C ATOM 715 H LEU A 78 69.113 1.335 38.980 1.00 0.00 H ATOM 716 N GLN A 79 70.899 -0.995 37.369 1.00 6.82 N ATOM 717 CA GLN A 79 71.359 -2.257 36.786 1.00 7.55 C ATOM 718 C GLN A 79 70.668 -2.561 35.456 1.00 9.21 C ATOM 719 O GLN A 79 71.171 -3.360 34.659 1.00 12.12 O ATOM 720 CB GLN A 79 71.213 -3.399 37.796 1.00 7.40 C ATOM 721 CG GLN A 79 72.200 -3.261 38.946 1.00 7.42 C ATOM 722 CD GLN A 79 72.032 -4.297 40.039 1.00 8.16 C ATOM 723 OE1 GLN A 79 70.963 -4.886 40.205 1.00 8.88 O ATOM 724 NE2 GLN A 79 73.094 -4.511 40.814 1.00 8.60 N ATOM 725 HE22 GLN A 79 73.978 -3.992 40.639 1.00 0.00 H ATOM 726 HE21 GLN A 79 73.039 -5.197 41.594 1.00 0.00 H ATOM 727 H GLN A 79 70.308 -1.009 38.224 1.00 0.00 H ATOM 728 N GLN A 80 69.523 -1.917 35.214 1.00 7.60 N ATOM 729 CA GLN A 80 68.823 -2.059 33.936 1.00 8.90 C ATOM 730 C GLN A 80 69.124 -0.896 33.004 1.00 10.63 C ATOM 731 O GLN A 80 68.364 -0.595 32.076 1.00 12.72 O ATOM 732 CB GLN A 80 67.318 -2.269 34.136 1.00 8.90 C ATOM 733 CG GLN A 80 67.064 -3.587 34.853 1.00 9.02 C ATOM 734 CD GLN A 80 65.621 -4.059 34.838 1.00 8.05 C ATOM 735 OE1 GLN A 80 65.217 -4.822 35.713 1.00 8.37 O ATOM 736 NE2 GLN A 80 64.839 -3.618 33.846 1.00 8.60 N ATOM 737 HE22 GLN A 80 65.225 -2.973 33.127 1.00 0.00 H ATOM 738 HE21 GLN A 80 63.845 -3.920 33.794 1.00 0.00 H ATOM 739 H GLN A 80 69.120 -1.302 35.949 1.00 0.00 H ATOM 740 N GLY A 81 70.249 -0.245 33.259 1.00 11.97 N ATOM 741 CA GLY A 81 70.812 0.672 32.295 1.00 12.90 C ATOM 742 C GLY A 81 70.220 2.060 32.302 1.00 13.45 C ATOM 743 O GLY A 81 70.422 2.824 31.350 1.00 14.81 O ATOM 744 H GLY A 81 70.734 -0.396 34.166 1.00 0.00 H ATOM 745 N ARG A 82 69.512 2.408 33.373 1.00 12.32 N ATOM 746 CA ARG A 82 69.012 3.769 33.497 1.00 13.71 C ATOM 747 C ARG A 82 70.156 4.764 33.566 1.00 15.23 C ATOM 748 O ARG A 82 71.018 4.677 34.441 1.00 14.97 O ATOM 749 CB ARG A 82 68.124 3.942 34.720 1.00 15.23 C ATOM 750 CG ARG A 82 67.741 5.386 34.917 1.00 17.50 C ATOM 751 CD ARG A 82 66.471 5.506 35.672 1.00 18.81 C ATOM 752 NE ARG A 82 65.982 6.876 35.669 1.00 19.76 N ATOM 753 CZ ARG A 82 64.795 7.217 36.147 1.00 19.57 C ATOM 754 NH1 ARG A 82 64.398 8.478 36.120 1.00 22.14 N ATOM 755 NH2 ARG A 82 64.004 6.282 36.638 1.00 16.74 N ATOM 756 HE ARG A 82 66.591 7.620 35.274 1.00 0.00 H ATOM 757 HH12 ARG A 82 63.464 8.737 36.497 1.00 0.00 H ATOM 758 HH11 ARG A 82 65.019 9.210 35.721 1.00 0.00 H ATOM 759 HH22 ARG A 82 63.069 6.537 37.016 1.00 0.00 H ATOM 760 HH21 ARG A 82 64.315 5.290 36.647 1.00 0.00 H ATOM 761 H ARG A 82 69.317 1.710 34.119 1.00 0.00 H ATOM 762 N VAL A 83 70.142 5.709 32.634 1.00 16.48 N ATOM 763 CA VAL A 83 71.164 6.741 32.534 1.00 18.47 C ATOM 764 C VAL A 83 70.507 8.105 32.702 1.00 18.82 C ATOM 765 O VAL A 83 69.449 8.364 32.126 1.00 20.69 O ATOM 766 CB VAL A 83 71.895 6.643 31.174 1.00 20.93 C ATOM 767 CG1 VAL A 83 72.575 7.957 30.796 1.00 21.90 C ATOM 768 CG2 VAL A 83 72.889 5.489 31.194 1.00 22.10 C ATOM 769 H VAL A 83 69.365 5.712 31.943 1.00 0.00 H ATOM 770 N ARG A 84 71.121 8.965 33.508 1.00 17.98 N ATOM 771 CA ARG A 84 70.590 10.300 33.752 1.00 18.49 C ATOM 772 C ARG A 84 70.996 11.256 32.642 1.00 19.95 C ATOM 773 O ARG A 84 72.183 11.496 32.427 1.00 20.43 O ATOM 774 CB ARG A 84 71.095 10.836 35.094 1.00 18.10 C ATOM 775 CG ARG A 84 70.742 12.297 35.366 1.00 17.83 C ATOM 776 CD ARG A 84 69.248 12.483 35.555 1.00 17.87 C ATOM 777 NE ARG A 84 68.754 11.645 36.640 1.00 17.23 N ATOM 778 CZ ARG A 84 67.474 11.514 36.970 1.00 16.94 C ATOM 779 NH1 ARG A 84 66.537 12.179 36.301 1.00 17.27 N ATOM 780 NH2 ARG A 84 67.135 10.720 37.977 1.00 17.03 N ATOM 781 HE ARG A 84 69.453 11.112 37.195 1.00 0.00 H ATOM 782 HH12 ARG A 84 65.536 12.073 36.564 1.00 0.00 H ATOM 783 HH11 ARG A 84 66.805 12.805 35.515 1.00 0.00 H ATOM 784 HH22 ARG A 84 66.135 10.613 38.241 1.00 0.00 H ATOM 785 HH21 ARG A 84 67.869 10.205 38.503 1.00 0.00 H ATOM 786 H ARG A 84 72.004 8.678 33.977 1.00 0.00 H ATOM 787 N LYS A 85 70.008 11.793 31.936 1.00 21.81 N ATOM 788 CA LYS A 85 70.251 12.843 30.957 1.00 24.16 C ATOM 789 C LYS A 85 69.742 14.168 31.522 1.00 23.89 C ATOM 790 O LYS A 85 69.091 14.194 32.567 1.00 23.64 O ATOM 791 CB LYS A 85 69.583 12.507 29.621 1.00 26.53 C ATOM 792 CG LYS A 85 68.182 13.067 29.453 1.00 28.57 C ATOM 793 CD LYS A 85 67.234 12.022 28.895 1.00 29.90 C ATOM 794 CE LYS A 85 66.367 12.594 27.789 1.00 30.83 C ATOM 795 NZ LYS A 85 66.725 11.996 26.472 1.00 31.41 N ATOM 796 HZ1 LYS A 85 67.722 12.203 26.258 1.00 0.00 H ATOM 797 HZ2 LYS A 85 66.584 10.966 26.510 1.00 0.00 H ATOM 798 HZ3 LYS A 85 66.119 12.403 25.732 1.00 0.00 H ATOM 799 H LYS A 85 69.036 11.455 32.086 1.00 0.00 H ATOM 800 N ALA A 86 70.046 15.270 30.847 1.00 24.35 N ATOM 801 CA ALA A 86 69.697 16.587 31.371 1.00 24.90 C ATOM 802 C ALA A 86 68.225 16.947 31.213 1.00 24.01 C ATOM 803 O ALA A 86 67.690 17.697 32.028 1.00 25.11 O ATOM 804 CB ALA A 86 70.571 17.656 30.750 1.00 25.94 C ATOM 805 H ALA A 86 70.539 15.194 29.934 1.00 0.00 H ATOM 806 N GLU A 87 67.570 16.435 30.172 1.00 22.31 N ATOM 807 CA GLU A 87 66.158 16.758 29.970 1.00 20.02 C ATOM 808 C GLU A 87 65.271 16.267 31.106 1.00 17.37 C ATOM 809 O GLU A 87 65.288 15.092 31.477 1.00 17.52 O ATOM 810 CB GLU A 87 65.614 16.244 28.631 1.00 20.97 C ATOM 811 CG GLU A 87 64.119 16.530 28.484 1.00 20.66 C ATOM 812 CD GLU A 87 63.569 16.318 27.082 1.00 19.40 C ATOM 813 OE1 GLU A 87 64.300 15.840 26.194 1.00 20.80 O ATOM 814 OE2 GLU A 87 62.385 16.649 26.870 1.00 16.78 O ATOM 815 H GLU A 87 68.062 15.807 29.505 1.00 0.00 H ATOM 816 N ARG A 88 64.491 17.188 31.650 1.00 15.06 N ATOM 817 CA ARG A 88 63.505 16.863 32.654 1.00 14.22 C ATOM 818 C ARG A 88 62.456 15.896 32.101 1.00 12.56 C ATOM 819 O ARG A 88 61.931 16.118 31.014 1.00 12.81 O ATOM 820 CB ARG A 88 62.826 18.146 33.092 1.00 16.23 C ATOM 821 CG ARG A 88 61.902 17.944 34.227 1.00 18.03 C ATOM 822 CD ARG A 88 61.477 19.263 34.799 1.00 19.14 C ATOM 823 NE ARG A 88 60.959 19.023 36.128 1.00 19.25 N ATOM 824 CZ ARG A 88 60.203 19.871 36.797 1.00 18.05 C ATOM 825 NH1 ARG A 88 59.887 21.029 36.248 1.00 15.85 N ATOM 826 NH2 ARG A 88 59.768 19.553 38.009 1.00 18.94 N ATOM 827 HE ARG A 88 61.199 18.121 36.587 1.00 0.00 H ATOM 828 HH12 ARG A 88 59.291 21.705 36.767 1.00 0.00 H ATOM 829 HH11 ARG A 88 60.234 21.265 35.296 1.00 0.00 H ATOM 830 HH22 ARG A 88 59.172 20.220 38.539 1.00 0.00 H ATOM 831 HH21 ARG A 88 60.023 18.637 38.429 1.00 0.00 H ATOM 832 H ARG A 88 64.591 18.177 31.345 1.00 0.00 H ATOM 833 N TRP A 89 62.153 14.835 32.848 1.00 11.58 N ATOM 834 CA TRP A 89 61.108 13.882 32.474 1.00 11.02 C ATOM 835 C TRP A 89 61.347 13.243 31.109 1.00 12.88 C ATOM 836 O TRP A 89 60.401 12.989 30.360 1.00 14.63 O ATOM 837 CB TRP A 89 59.734 14.556 32.514 1.00 10.54 C ATOM 838 CG TRP A 89 59.241 14.881 33.896 1.00 9.01 C ATOM 839 CD1 TRP A 89 59.320 14.093 35.011 1.00 6.76 C ATOM 840 CD2 TRP A 89 58.572 16.080 34.302 1.00 10.56 C ATOM 841 NE1 TRP A 89 58.737 14.724 36.084 1.00 7.99 N ATOM 842 CE2 TRP A 89 58.276 15.950 35.677 1.00 9.48 C ATOM 843 CE3 TRP A 89 58.197 17.253 33.637 1.00 12.28 C ATOM 844 CZ2 TRP A 89 57.618 16.947 36.396 1.00 11.93 C ATOM 845 CZ3 TRP A 89 57.547 18.239 34.351 1.00 14.24 C ATOM 846 CH2 TRP A 89 57.267 18.084 35.716 1.00 14.02 C ATOM 847 HE1 TRP A 89 58.658 14.336 37.046 1.00 0.00 H ATOM 848 H TRP A 89 62.680 14.678 33.731 1.00 0.00 H ATOM 849 N GLY A 90 62.609 12.984 30.793 1.00 12.34 N ATOM 850 CA GLY A 90 62.963 12.333 29.543 1.00 11.29 C ATOM 851 C GLY A 90 62.725 10.833 29.591 1.00 9.28 C ATOM 852 O GLY A 90 62.409 10.267 30.639 1.00 9.31 O ATOM 853 H GLY A 90 63.364 13.253 31.456 1.00 0.00 H ATOM 854 N PRO A 91 62.894 10.171 28.443 1.00 7.46 N ATOM 855 CA PRO A 91 62.653 8.729 28.355 1.00 6.99 C ATOM 856 C PRO A 91 63.635 7.927 29.202 1.00 7.24 C ATOM 857 O PRO A 91 64.732 8.400 29.513 1.00 8.29 O ATOM 858 CB PRO A 91 62.851 8.424 26.865 1.00 7.29 C ATOM 859 CG PRO A 91 63.713 9.549 26.352 1.00 7.81 C ATOM 860 CD PRO A 91 63.308 10.750 27.153 1.00 8.03 C ATOM 861 N ARG A 92 63.243 6.716 29.581 1.00 6.44 N ATOM 862 CA ARG A 92 64.123 5.879 30.390 1.00 7.40 C ATOM 863 C ARG A 92 63.814 4.397 30.230 1.00 7.13 C ATOM 864 O ARG A 92 62.686 4.008 29.896 1.00 7.25 O ATOM 865 CB ARG A 92 64.126 6.324 31.870 1.00 10.34 C ATOM 866 CG ARG A 92 62.903 5.967 32.711 1.00 13.69 C ATOM 867 CD ARG A 92 61.695 6.865 32.495 1.00 17.42 C ATOM 868 NE ARG A 92 61.986 8.302 32.510 1.00 18.92 N ATOM 869 CZ ARG A 92 61.990 9.095 33.586 1.00 19.89 C ATOM 870 NH1 ARG A 92 61.737 8.615 34.800 1.00 21.53 N ATOM 871 NH2 ARG A 92 62.257 10.390 33.439 1.00 19.64 N ATOM 872 HE ARG A 92 62.211 8.746 31.597 1.00 0.00 H ATOM 873 HH12 ARG A 92 61.746 9.251 35.623 1.00 0.00 H ATOM 874 HH11 ARG A 92 61.531 7.604 34.927 1.00 0.00 H ATOM 875 HH22 ARG A 92 62.263 11.017 34.269 1.00 0.00 H ATOM 876 HH21 ARG A 92 62.460 10.775 32.494 1.00 0.00 H ATOM 877 H ARG A 92 62.306 6.363 29.300 1.00 0.00 H ATOM 878 N THR A 93 64.837 3.578 30.442 1.00 7.02 N ATOM 879 CA THR A 93 64.675 2.131 30.389 1.00 6.54 C ATOM 880 C THR A 93 63.755 1.615 31.502 1.00 6.15 C ATOM 881 O THR A 93 62.977 0.678 31.295 1.00 6.92 O ATOM 882 CB THR A 93 66.031 1.413 30.486 1.00 9.04 C ATOM 883 OG1 THR A 93 66.694 1.821 31.686 1.00 10.09 O ATOM 884 CG2 THR A 93 66.903 1.750 29.285 1.00 9.48 C ATOM 885 HG1 THR A 93 67.568 1.360 31.752 1.00 0.00 H ATOM 886 H THR A 93 65.774 3.978 30.650 1.00 0.00 H ATOM 887 N LEU A 94 63.842 2.220 32.682 1.00 6.24 N ATOM 888 CA LEU A 94 63.042 1.772 33.816 1.00 5.32 C ATOM 889 C LEU A 94 62.894 2.872 34.850 1.00 6.01 C ATOM 890 O LEU A 94 63.868 3.531 35.207 1.00 6.95 O ATOM 891 CB LEU A 94 63.688 0.545 34.469 1.00 5.33 C ATOM 892 CG LEU A 94 62.822 -0.130 35.533 1.00 5.11 C ATOM 893 CD1 LEU A 94 61.619 -0.817 34.897 1.00 6.36 C ATOM 894 CD2 LEU A 94 63.626 -1.106 36.380 1.00 5.71 C ATOM 895 H LEU A 94 64.490 3.025 32.798 1.00 0.00 H ATOM 896 N ASP A 95 61.665 3.052 35.324 1.00 5.38 N ATOM 897 CA ASP A 95 61.355 3.980 36.405 1.00 5.15 C ATOM 898 C ASP A 95 60.549 3.201 37.436 1.00 5.09 C ATOM 899 O ASP A 95 59.501 2.627 37.107 1.00 6.16 O ATOM 900 CB ASP A 95 60.528 5.154 35.865 1.00 6.25 C ATOM 901 CG ASP A 95 60.363 6.283 36.870 1.00 7.36 C ATOM 902 OD1 ASP A 95 61.353 6.628 37.547 1.00 8.45 O ATOM 903 OD2 ASP A 95 59.247 6.849 36.953 1.00 8.46 O ATOM 904 H ASP A 95 60.887 2.504 34.903 1.00 0.00 H ATOM 905 N LEU A 96 61.049 3.162 38.672 1.00 4.64 N ATOM 906 CA LEU A 96 60.355 2.518 39.785 1.00 4.58 C ATOM 907 C LEU A 96 60.056 3.584 40.829 1.00 4.97 C ATOM 908 O LEU A 96 60.947 4.016 41.561 1.00 6.39 O ATOM 909 CB LEU A 96 61.214 1.406 40.395 1.00 5.36 C ATOM 910 CG LEU A 96 61.552 0.237 39.466 1.00 6.14 C ATOM 911 CD1 LEU A 96 62.502 -0.736 40.152 1.00 6.68 C ATOM 912 CD2 LEU A 96 60.296 -0.494 39.008 1.00 6.50 C ATOM 913 H LEU A 96 61.971 3.608 38.851 1.00 0.00 H ATOM 914 N ASP A 97 58.813 4.047 40.855 1.00 5.42 N ATOM 915 CA ASP A 97 58.399 5.065 41.810 1.00 5.77 C ATOM 916 C ASP A 97 57.656 4.394 42.956 1.00 5.23 C ATOM 917 O ASP A 97 56.738 3.601 42.727 1.00 5.75 O ATOM 918 CB ASP A 97 57.455 6.077 41.153 1.00 6.32 C ATOM 919 CG ASP A 97 58.164 7.045 40.228 1.00 7.44 C ATOM 920 OD1 ASP A 97 59.409 7.143 40.274 1.00 7.94 O ATOM 921 OD2 ASP A 97 57.460 7.738 39.462 1.00 8.91 O ATOM 922 H ASP A 97 58.118 3.674 40.177 1.00 0.00 H ATOM 923 N ILE A 98 58.048 4.698 44.188 1.00 5.13 N ATOM 924 CA ILE A 98 57.304 4.208 45.336 1.00 5.36 C ATOM 925 C ILE A 98 56.080 5.103 45.532 1.00 4.80 C ATOM 926 O ILE A 98 56.199 6.256 45.944 1.00 6.07 O ATOM 927 CB ILE A 98 58.181 4.167 46.607 1.00 6.42 C ATOM 928 CG1 ILE A 98 59.392 3.254 46.377 1.00 8.25 C ATOM 929 CG2 ILE A 98 57.354 3.723 47.810 1.00 7.12 C ATOM 930 CD1 ILE A 98 60.461 3.334 47.451 1.00 8.65 C ATOM 931 H ILE A 98 58.891 5.289 44.332 1.00 0.00 H ATOM 932 N MET A 99 54.899 4.579 45.205 1.00 4.04 N ATOM 933 CA MET A 99 53.685 5.378 45.310 1.00 4.24 C ATOM 934 C MET A 99 53.227 5.522 46.756 1.00 4.71 C ATOM 935 O MET A 99 52.918 6.621 47.216 1.00 4.50 O ATOM 936 CB MET A 99 52.561 4.771 44.469 1.00 5.14 C ATOM 937 CG MET A 99 52.787 4.904 42.980 1.00 5.60 C ATOM 938 SD MET A 99 51.390 4.352 41.988 1.00 6.02 S ATOM 939 CE MET A 99 51.450 2.573 42.208 1.00 5.99 C ATOM 940 H MET A 99 54.844 3.595 44.873 1.00 0.00 H ATOM 941 N LEU A 100 53.178 4.387 47.448 1.00 5.01 N ATOM 942 CA LEU A 100 52.669 4.304 48.804 1.00 5.38 C ATOM 943 C LEU A 100 53.486 3.294 49.582 1.00 5.09 C ATOM 944 O LEU A 100 53.978 2.321 49.012 1.00 4.79 O ATOM 945 CB LEU A 100 51.195 3.893 48.812 1.00 6.19 C ATOM 946 CG LEU A 100 50.231 4.877 48.142 1.00 6.94 C ATOM 947 CD1 LEU A 100 48.901 4.225 47.854 1.00 9.03 C ATOM 948 CD2 LEU A 100 50.038 6.142 48.960 1.00 8.34 C ATOM 949 H LEU A 100 53.521 3.516 46.995 1.00 0.00 H ATOM 950 N PHE A 101 53.636 3.540 50.879 1.00 5.10 N ATOM 951 CA PHE A 101 54.312 2.610 51.766 1.00 6.17 C ATOM 952 C PHE A 101 53.373 2.441 52.961 1.00 7.55 C ATOM 953 O PHE A 101 53.435 3.194 53.934 1.00 8.36 O ATOM 954 CB PHE A 101 55.686 3.155 52.181 1.00 7.47 C ATOM 955 CG PHE A 101 56.558 2.143 52.853 1.00 8.75 C ATOM 956 CD1 PHE A 101 57.391 1.326 52.111 1.00 9.68 C ATOM 957 CD2 PHE A 101 56.532 1.996 54.227 1.00 10.28 C ATOM 958 CE1 PHE A 101 58.186 0.381 52.730 1.00 10.44 C ATOM 959 CE2 PHE A 101 57.324 1.064 54.852 1.00 11.21 C ATOM 960 CZ PHE A 101 58.152 0.254 54.107 1.00 11.13 C ATOM 961 H PHE A 101 53.258 4.426 51.271 1.00 0.00 H ATOM 962 N GLY A 102 52.464 1.473 52.858 1.00 9.57 N ATOM 963 CA GLY A 102 51.357 1.372 53.794 1.00 10.88 C ATOM 964 C GLY A 102 50.625 2.695 53.893 1.00 10.90 C ATOM 965 O GLY A 102 50.409 3.377 52.886 1.00 11.33 O ATOM 966 H GLY A 102 52.548 0.775 52.092 1.00 0.00 H ATOM 967 N ASN A 103 50.258 3.065 55.115 1.00 11.36 N ATOM 968 CA ASN A 103 49.610 4.343 55.374 1.00 12.35 C ATOM 969 C ASN A 103 50.622 5.413 55.767 1.00 10.81 C ATOM 970 O ASN A 103 50.239 6.471 56.277 1.00 11.96 O ATOM 971 CB ASN A 103 48.603 4.218 56.522 1.00 14.88 C ATOM 972 CG ASN A 103 47.601 3.088 56.325 1.00 16.71 C ATOM 973 OD1 ASN A 103 47.393 2.258 57.220 1.00 18.37 O ATOM 974 ND2 ASN A 103 46.956 3.065 55.164 1.00 18.21 N ATOM 975 HD22 ASN A 103 47.163 3.782 54.440 1.00 0.00 H ATOM 976 HD21 ASN A 103 46.244 2.329 54.979 1.00 0.00 H ATOM 977 H ASN A 103 50.439 2.422 55.912 1.00 0.00 H ATOM 978 N GLU A 104 51.910 5.143 55.559 1.00 11.13 N ATOM 979 CA GLU A 104 52.948 6.052 56.039 1.00 11.31 C ATOM 980 C GLU A 104 53.086 7.316 55.191 1.00 10.80 C ATOM 981 O GLU A 104 52.904 7.297 53.965 1.00 10.77 O ATOM 982 CB GLU A 104 54.305 5.345 56.135 1.00 13.09 C ATOM 983 CG GLU A 104 54.335 4.168 57.098 1.00 15.72 C ATOM 984 CD GLU A 104 55.748 3.765 57.498 1.00 19.01 C ATOM 985 OE1 GLU A 104 56.669 4.601 57.388 1.00 20.89 O ATOM 986 OE2 GLU A 104 55.936 2.609 57.927 1.00 21.11 O ATOM 987 H GLU A 104 52.179 4.277 55.050 1.00 0.00 H ATOM 988 N VAL A 105 53.425 8.411 55.865 1.00 10.43 N ATOM 989 CA VAL A 105 53.788 9.661 55.221 1.00 10.55 C ATOM 990 C VAL A 105 55.263 9.875 55.501 1.00 11.55 C ATOM 991 O VAL A 105 55.684 10.000 56.657 1.00 13.38 O ATOM 992 CB VAL A 105 52.955 10.840 55.759 1.00 12.22 C ATOM 993 CG1 VAL A 105 53.404 12.153 55.130 1.00 13.48 C ATOM 994 CG2 VAL A 105 51.480 10.588 55.489 1.00 13.01 C ATOM 995 H VAL A 105 53.430 8.370 56.904 1.00 0.00 H ATOM 996 N ILE A 106 56.052 9.884 54.436 1.00 11.46 N ATOM 997 CA ILE A 106 57.498 9.941 54.570 1.00 12.77 C ATOM 998 C ILE A 106 58.028 11.165 53.849 1.00 12.82 C ATOM 999 O ILE A 106 57.670 11.426 52.698 1.00 11.62 O ATOM 1000 CB ILE A 106 58.146 8.663 54.005 1.00 14.14 C ATOM 1001 CG1 ILE A 106 57.619 7.439 54.757 1.00 15.92 C ATOM 1002 CG2 ILE A 106 59.671 8.736 54.086 1.00 14.06 C ATOM 1003 CD1 ILE A 106 57.537 6.194 53.919 1.00 16.70 C ATOM 1004 H ILE A 106 55.628 9.850 53.487 1.00 0.00 H ATOM 1005 N ASN A 107 58.855 11.931 54.549 1.00 14.40 N ATOM 1006 CA ASN A 107 59.513 13.086 53.963 1.00 15.87 C ATOM 1007 C ASN A 107 60.962 13.118 54.412 1.00 15.68 C ATOM 1008 O ASN A 107 61.289 13.738 55.422 1.00 17.43 O ATOM 1009 CB ASN A 107 58.817 14.389 54.372 1.00 18.41 C ATOM 1010 CG ASN A 107 57.392 14.487 53.851 1.00 20.94 C ATOM 1011 OD1 ASN A 107 57.164 14.637 52.648 1.00 22.01 O ATOM 1012 ND2 ASN A 107 56.426 14.417 54.758 1.00 22.23 N ATOM 1013 HD22 ASN A 107 56.664 14.290 55.762 1.00 0.00 H ATOM 1014 HD21 ASN A 107 55.431 14.489 54.464 1.00 0.00 H ATOM 1015 H ASN A 107 59.037 11.698 55.546 1.00 0.00 H ATOM 1016 N THR A 108 61.824 12.426 53.675 1.00 14.67 N ATOM 1017 CA THR A 108 63.254 12.462 53.952 1.00 13.80 C ATOM 1018 C THR A 108 63.956 13.126 52.777 1.00 12.50 C ATOM 1019 O THR A 108 63.310 13.522 51.810 1.00 12.56 O ATOM 1020 CB THR A 108 63.849 11.047 54.153 1.00 15.11 C ATOM 1021 OG1 THR A 108 63.773 10.307 52.928 1.00 15.62 O ATOM 1022 CG2 THR A 108 63.113 10.291 55.249 1.00 17.07 C ATOM 1023 HG1 THR A 108 64.155 9.404 53.065 1.00 0.00 H ATOM 1024 H THR A 108 61.472 11.848 52.886 1.00 0.00 H ATOM 1025 N GLU A 109 65.276 13.248 52.852 1.00 11.42 N ATOM 1026 CA GLU A 109 66.022 13.856 51.760 1.00 9.89 C ATOM 1027 C GLU A 109 65.886 13.063 50.457 1.00 11.09 C ATOM 1028 O GLU A 109 65.840 13.639 49.373 1.00 13.73 O ATOM 1029 CB GLU A 109 67.494 14.007 52.142 1.00 10.35 C ATOM 1030 CG GLU A 109 67.742 15.028 53.236 1.00 11.76 C ATOM 1031 CD GLU A 109 67.494 16.462 52.778 1.00 12.15 C ATOM 1032 OE1 GLU A 109 67.104 16.707 51.617 1.00 15.43 O ATOM 1033 OE2 GLU A 109 67.707 17.371 53.581 1.00 11.64 O ATOM 1034 H GLU A 109 65.780 12.907 53.696 1.00 0.00 H ATOM 1035 N ARG A 110 65.793 11.741 50.559 1.00 9.38 N ATOM 1036 CA ARG A 110 65.770 10.887 49.373 1.00 8.86 C ATOM 1037 C ARG A 110 64.372 10.422 48.957 1.00 9.14 C ATOM 1038 O ARG A 110 64.177 9.966 47.825 1.00 8.74 O ATOM 1039 CB ARG A 110 66.666 9.668 49.597 1.00 9.51 C ATOM 1040 CG ARG A 110 68.142 9.995 49.716 1.00 10.79 C ATOM 1041 CD ARG A 110 68.946 8.757 50.058 1.00 11.38 C ATOM 1042 NE ARG A 110 68.854 7.752 49.003 1.00 11.43 N ATOM 1043 CZ ARG A 110 68.698 6.446 49.214 1.00 12.08 C ATOM 1044 NH1 ARG A 110 68.600 5.972 50.451 1.00 12.60 N ATOM 1045 NH2 ARG A 110 68.632 5.603 48.186 1.00 12.20 N ATOM 1046 HE ARG A 110 68.915 8.079 48.017 1.00 0.00 H ATOM 1047 HH12 ARG A 110 68.478 4.951 50.609 1.00 0.00 H ATOM 1048 HH11 ARG A 110 68.645 6.622 51.262 1.00 0.00 H ATOM 1049 HH22 ARG A 110 68.510 4.584 48.356 1.00 0.00 H ATOM 1050 HH21 ARG A 110 68.702 5.963 47.213 1.00 0.00 H ATOM 1051 H ARG A 110 65.735 11.305 51.502 1.00 0.00 H ATOM 1052 N LEU A 111 63.403 10.530 49.861 1.00 9.20 N ATOM 1053 CA LEU A 111 62.132 9.840 49.669 1.00 9.11 C ATOM 1054 C LEU A 111 60.930 10.661 50.137 1.00 8.84 C ATOM 1055 O LEU A 111 60.885 11.105 51.283 1.00 10.69 O ATOM 1056 CB LEU A 111 62.183 8.504 50.409 1.00 8.65 C ATOM 1057 CG LEU A 111 61.002 7.556 50.258 1.00 8.39 C ATOM 1058 CD1 LEU A 111 60.806 7.188 48.807 1.00 7.56 C ATOM 1059 CD2 LEU A 111 61.234 6.316 51.082 1.00 9.35 C ATOM 1060 H LEU A 111 63.552 11.110 50.711 1.00 0.00 H ATOM 1061 N THR A 112 59.960 10.839 49.236 1.00 8.77 N ATOM 1062 CA THR A 112 58.689 11.486 49.552 1.00 8.85 C ATOM 1063 C THR A 112 57.541 10.551 49.179 1.00 7.04 C ATOM 1064 O THR A 112 57.358 10.204 48.004 1.00 7.11 O ATOM 1065 CB THR A 112 58.520 12.814 48.792 1.00 11.16 C ATOM 1066 OG1 THR A 112 59.510 13.752 49.234 1.00 13.24 O ATOM 1067 CG2 THR A 112 57.124 13.407 49.029 1.00 12.00 C ATOM 1068 HG1 THR A 112 60.412 13.385 49.058 1.00 0.00 H ATOM 1069 H THR A 112 60.117 10.501 48.265 1.00 0.00 H ATOM 1070 N VAL A 113 56.785 10.133 50.193 1.00 6.30 N ATOM 1071 CA VAL A 113 55.679 9.195 50.019 1.00 6.61 C ATOM 1072 C VAL A 113 54.489 9.715 50.825 1.00 6.71 C ATOM 1073 O VAL A 113 54.677 10.139 51.962 1.00 8.09 O ATOM 1074 CB VAL A 113 56.062 7.787 50.524 1.00 7.29 C ATOM 1075 CG1 VAL A 113 54.890 6.815 50.414 1.00 8.56 C ATOM 1076 CG2 VAL A 113 57.267 7.262 49.759 1.00 8.27 C ATOM 1077 H VAL A 113 56.991 10.489 51.148 1.00 0.00 H ATOM 1078 N PRO A 114 53.262 9.707 50.252 1.00 6.05 N ATOM 1079 CA PRO A 114 52.875 9.281 48.900 1.00 5.88 C ATOM 1080 C PRO A 114 53.600 10.037 47.801 1.00 5.91 C ATOM 1081 O PRO A 114 54.029 11.170 48.006 1.00 6.74 O ATOM 1082 CB PRO A 114 51.378 9.592 48.854 1.00 7.34 C ATOM 1083 CG PRO A 114 50.942 9.481 50.278 1.00 7.50 C ATOM 1084 CD PRO A 114 52.081 10.069 51.063 1.00 7.44 C ATOM 1085 N HIS A 115 53.780 9.395 46.655 1.00 5.17 N ATOM 1086 CA HIS A 115 54.359 10.080 45.511 1.00 5.52 C ATOM 1087 C HIS A 115 53.603 11.395 45.305 1.00 5.86 C ATOM 1088 O HIS A 115 52.369 11.417 45.317 1.00 6.22 O ATOM 1089 CB HIS A 115 54.261 9.199 44.272 1.00 5.23 C ATOM 1090 CG HIS A 115 54.841 9.818 43.041 1.00 5.69 C ATOM 1091 ND1 HIS A 115 54.204 10.813 42.335 1.00 6.92 N ATOM 1092 CD2 HIS A 115 55.995 9.562 42.381 1.00 6.76 C ATOM 1093 CE1 HIS A 115 54.946 11.152 41.294 1.00 6.63 C ATOM 1094 NE2 HIS A 115 56.036 10.407 41.299 1.00 7.03 N ATOM 1095 H HIS A 115 53.505 8.395 46.574 1.00 0.00 H ATOM 1096 N TYR A 116 54.349 12.482 45.125 1.00 6.06 N ATOM 1097 CA TYR A 116 53.789 13.827 45.212 1.00 6.99 C ATOM 1098 C TYR A 116 52.702 14.135 44.186 1.00 7.09 C ATOM 1099 O TYR A 116 51.885 15.028 44.408 1.00 9.66 O ATOM 1100 CB TYR A 116 54.904 14.873 45.107 1.00 7.18 C ATOM 1101 CG TYR A 116 55.403 15.080 43.689 1.00 7.04 C ATOM 1102 CD1 TYR A 116 56.142 14.093 43.042 1.00 7.12 C ATOM 1103 CD2 TYR A 116 55.130 16.258 42.989 1.00 7.95 C ATOM 1104 CE1 TYR A 116 56.600 14.273 41.741 1.00 7.72 C ATOM 1105 CE2 TYR A 116 55.588 16.447 41.684 1.00 8.05 C ATOM 1106 CZ TYR A 116 56.318 15.445 41.066 1.00 8.07 C ATOM 1107 OH TYR A 116 56.775 15.619 39.776 1.00 8.80 O ATOM 1108 HH TYR A 116 57.374 16.407 39.743 1.00 0.00 H ATOM 1109 H TYR A 116 55.362 12.370 44.916 1.00 0.00 H ATOM 1110 N ASP A 117 52.690 13.413 43.068 1.00 6.15 N ATOM 1111 CA ASP A 117 51.759 13.738 41.988 1.00 6.41 C ATOM 1112 C ASP A 117 50.859 12.582 41.562 1.00 5.88 C ATOM 1113 O ASP A 117 50.124 12.702 40.588 1.00 6.20 O ATOM 1114 CB ASP A 117 52.523 14.280 40.768 1.00 7.13 C ATOM 1115 CG ASP A 117 51.640 15.085 39.823 1.00 8.28 C ATOM 1116 OD1 ASP A 117 50.822 15.901 40.304 1.00 9.66 O ATOM 1117 OD2 ASP A 117 51.772 14.911 38.589 1.00 9.05 O ATOM 1118 H ASP A 117 53.346 12.613 42.962 1.00 0.00 H ATOM 1119 N MET A 118 50.891 11.474 42.292 1.00 5.22 N ATOM 1120 CA MET A 118 50.190 10.279 41.830 1.00 5.73 C ATOM 1121 C MET A 118 48.684 10.473 41.679 1.00 5.85 C ATOM 1122 O MET A 118 48.071 9.842 40.822 1.00 6.60 O ATOM 1123 CB MET A 118 50.495 9.070 42.719 1.00 6.08 C ATOM 1124 CG MET A 118 49.997 9.203 44.142 1.00 5.82 C ATOM 1125 SD MET A 118 50.358 7.740 45.135 1.00 6.25 S ATOM 1126 CE MET A 118 49.252 6.559 44.381 1.00 7.38 C ATOM 1127 H MET A 118 51.414 11.457 43.191 1.00 0.00 H ATOM 1128 N LYS A 119 48.086 11.340 42.497 1.00 6.14 N ATOM 1129 CA LYS A 119 46.638 11.538 42.445 1.00 6.87 C ATOM 1130 C LYS A 119 46.197 12.285 41.191 1.00 6.95 C ATOM 1131 O LYS A 119 44.990 12.442 40.951 1.00 7.80 O ATOM 1132 CB LYS A 119 46.115 12.235 43.704 1.00 7.39 C ATOM 1133 CG LYS A 119 46.283 11.427 44.976 1.00 7.96 C ATOM 1134 CD LYS A 119 45.622 12.150 46.150 1.00 8.25 C ATOM 1135 CE LYS A 119 45.658 11.335 47.436 1.00 9.16 C ATOM 1136 NZ LYS A 119 44.963 12.002 48.569 1.00 11.04 N ATOM 1137 HZ1 LYS A 119 45.418 12.917 48.762 1.00 0.00 H ATOM 1138 HZ2 LYS A 119 43.965 12.155 48.320 1.00 0.00 H ATOM 1139 HZ3 LYS A 119 45.022 11.399 49.414 1.00 0.00 H ATOM 1140 H LYS A 119 48.655 11.881 43.179 1.00 0.00 H ATOM 1141 N ASN A 120 47.169 12.730 40.392 1.00 5.87 N ATOM 1142 CA ASN A 120 46.894 13.434 39.140 1.00 6.45 C ATOM 1143 C ASN A 120 47.321 12.655 37.896 1.00 6.94 C ATOM 1144 O ASN A 120 47.340 13.202 36.789 1.00 8.41 O ATOM 1145 CB ASN A 120 47.582 14.799 39.152 1.00 8.44 C ATOM 1146 CG ASN A 120 47.135 15.644 40.310 1.00 10.54 C ATOM 1147 OD1 ASN A 120 45.939 15.862 40.503 1.00 12.48 O ATOM 1148 ND2 ASN A 120 48.084 16.091 41.118 1.00 11.54 N ATOM 1149 HD22 ASN A 120 49.082 15.881 40.914 1.00 0.00 H ATOM 1150 HD21 ASN A 120 47.831 16.652 41.957 1.00 0.00 H ATOM 1151 H ASN A 120 48.158 12.570 40.670 1.00 0.00 H ATOM 1152 N ARG A 121 47.673 11.383 38.068 1.00 5.56 N ATOM 1153 CA ARG A 121 48.240 10.602 36.973 1.00 5.64 C ATOM 1154 C ARG A 121 47.479 9.306 36.760 1.00 5.01 C ATOM 1155 O ARG A 121 47.596 8.364 37.549 1.00 5.35 O ATOM 1156 CB ARG A 121 49.712 10.297 37.248 1.00 6.23 C ATOM 1157 CG ARG A 121 50.573 11.534 37.313 1.00 6.62 C ATOM 1158 CD ARG A 121 52.001 11.197 37.680 1.00 6.97 C ATOM 1159 NE ARG A 121 52.860 12.377 37.783 1.00 6.95 N ATOM 1160 CZ ARG A 121 54.189 12.320 37.866 1.00 5.90 C ATOM 1161 NH1 ARG A 121 54.808 11.147 37.863 1.00 6.37 N ATOM 1162 NH2 ARG A 121 54.901 13.432 37.974 1.00 8.04 N ATOM 1163 HE ARG A 121 52.408 13.313 37.792 1.00 0.00 H ATOM 1164 HH12 ARG A 121 55.845 11.106 37.928 1.00 0.00 H ATOM 1165 HH11 ARG A 121 54.256 10.268 37.796 1.00 0.00 H ATOM 1166 HH22 ARG A 121 55.938 13.381 38.038 1.00 0.00 H ATOM 1167 HH21 ARG A 121 54.423 14.356 37.994 1.00 0.00 H ATOM 1168 H ARG A 121 47.542 10.938 38.999 1.00 0.00 H ATOM 1169 N GLY A 122 46.690 9.254 35.694 1.00 5.86 N ATOM 1170 CA GLY A 122 45.912 8.066 35.392 1.00 5.39 C ATOM 1171 C GLY A 122 46.763 6.822 35.215 1.00 4.55 C ATOM 1172 O GLY A 122 46.340 5.713 35.563 1.00 5.25 O ATOM 1173 H GLY A 122 46.628 10.079 35.064 1.00 0.00 H ATOM 1174 N PHE A 123 47.967 7.003 34.682 1.00 5.79 N ATOM 1175 CA PHE A 123 48.836 5.866 34.430 1.00 5.60 C ATOM 1176 C PHE A 123 49.380 5.241 35.717 1.00 5.18 C ATOM 1177 O PHE A 123 49.926 4.133 35.672 1.00 5.59 O ATOM 1178 CB PHE A 123 49.947 6.213 33.422 1.00 6.04 C ATOM 1179 CG PHE A 123 50.937 7.230 33.912 1.00 7.12 C ATOM 1180 CD1 PHE A 123 51.927 6.879 34.818 1.00 7.48 C ATOM 1181 CD2 PHE A 123 50.905 8.533 33.437 1.00 9.03 C ATOM 1182 CE1 PHE A 123 52.853 7.809 35.261 1.00 9.03 C ATOM 1183 CE2 PHE A 123 51.838 9.463 33.866 1.00 10.86 C ATOM 1184 CZ PHE A 123 52.808 9.097 34.779 1.00 10.10 C ATOM 1185 H PHE A 123 48.289 7.963 34.444 1.00 0.00 H ATOM 1186 N MET A 124 49.242 5.956 36.840 1.00 4.97 N ATOM 1187 CA MET A 124 49.503 5.400 38.169 1.00 4.60 C ATOM 1188 C MET A 124 48.226 4.884 38.826 1.00 4.37 C ATOM 1189 O MET A 124 48.195 3.778 39.353 1.00 5.43 O ATOM 1190 CB MET A 124 50.159 6.444 39.082 1.00 5.42 C ATOM 1191 CG MET A 124 51.590 6.776 38.689 1.00 7.21 C ATOM 1192 SD MET A 124 52.363 7.884 39.876 1.00 10.57 S ATOM 1193 CE MET A 124 54.088 7.718 39.451 1.00 10.57 C ATOM 1194 H MET A 124 48.937 6.947 36.765 1.00 0.00 H ATOM 1195 N LEU A 125 47.166 5.686 38.785 1.00 4.46 N ATOM 1196 CA LEU A 125 45.947 5.339 39.513 1.00 4.36 C ATOM 1197 C LEU A 125 45.193 4.143 38.950 1.00 4.37 C ATOM 1198 O LEU A 125 44.693 3.326 39.722 1.00 5.28 O ATOM 1199 CB LEU A 125 45.000 6.531 39.617 1.00 5.27 C ATOM 1200 CG LEU A 125 45.552 7.737 40.371 1.00 7.36 C ATOM 1201 CD1 LEU A 125 44.490 8.805 40.427 1.00 10.02 C ATOM 1202 CD2 LEU A 125 46.009 7.354 41.775 1.00 8.85 C ATOM 1203 H LEU A 125 47.205 6.566 38.231 1.00 0.00 H ATOM 1204 N TRP A 126 45.089 4.030 37.625 1.00 4.95 N ATOM 1205 CA TRP A 126 44.317 2.919 37.065 1.00 5.20 C ATOM 1206 C TRP A 126 44.948 1.546 37.334 1.00 4.88 C ATOM 1207 O TRP A 126 44.241 0.625 37.751 1.00 5.58 O ATOM 1208 CB TRP A 126 44.033 3.106 35.571 1.00 6.63 C ATOM 1209 CG TRP A 126 42.981 4.112 35.229 1.00 8.14 C ATOM 1210 CD1 TRP A 126 43.160 5.265 34.515 1.00 10.32 C ATOM 1211 CD2 TRP A 126 41.576 4.039 35.520 1.00 9.56 C ATOM 1212 NE1 TRP A 126 41.964 5.918 34.356 1.00 11.65 N ATOM 1213 CE2 TRP A 126 40.976 5.196 34.971 1.00 10.21 C ATOM 1214 CE3 TRP A 126 40.771 3.120 36.200 1.00 9.58 C ATOM 1215 CZ2 TRP A 126 39.605 5.453 35.072 1.00 12.32 C ATOM 1216 CZ3 TRP A 126 39.397 3.384 36.307 1.00 11.53 C ATOM 1217 CH2 TRP A 126 38.837 4.541 35.744 1.00 12.39 C ATOM 1218 HE1 TRP A 126 41.829 6.817 33.850 1.00 0.00 H ATOM 1219 H TRP A 126 45.550 4.721 36.999 1.00 0.00 H ATOM 1220 N PRO A 127 46.273 1.396 37.111 1.00 4.91 N ATOM 1221 CA PRO A 127 46.861 0.091 37.459 1.00 4.64 C ATOM 1222 C PRO A 127 46.790 -0.196 38.963 1.00 4.65 C ATOM 1223 O PRO A 127 46.631 -1.350 39.377 1.00 5.62 O ATOM 1224 CB PRO A 127 48.313 0.226 36.994 1.00 5.91 C ATOM 1225 CG PRO A 127 48.262 1.286 35.926 1.00 6.71 C ATOM 1226 CD PRO A 127 47.242 2.260 36.413 1.00 5.75 C ATOM 1227 N LEU A 128 46.894 0.848 39.774 1.00 4.06 N ATOM 1228 CA LEU A 128 46.758 0.693 41.212 1.00 4.57 C ATOM 1229 C LEU A 128 45.362 0.198 41.586 1.00 4.25 C ATOM 1230 O LEU A 128 45.214 -0.697 42.426 1.00 5.66 O ATOM 1231 CB LEU A 128 47.067 2.010 41.914 1.00 5.13 C ATOM 1232 CG LEU A 128 47.053 1.973 43.444 1.00 5.97 C ATOM 1233 CD1 LEU A 128 48.016 0.906 43.963 1.00 6.39 C ATOM 1234 CD2 LEU A 128 47.416 3.342 43.994 1.00 7.26 C ATOM 1235 H LEU A 128 47.075 1.791 39.375 1.00 0.00 H ATOM 1236 N PHE A 129 44.335 0.775 40.966 1.00 4.05 N ATOM 1237 CA PHE A 129 42.957 0.360 41.222 1.00 5.23 C ATOM 1238 C PHE A 129 42.715 -1.092 40.810 1.00 5.70 C ATOM 1239 O PHE A 129 41.950 -1.811 41.452 1.00 5.79 O ATOM 1240 CB PHE A 129 41.971 1.302 40.519 1.00 6.16 C ATOM 1241 CG PHE A 129 40.537 0.891 40.666 1.00 6.54 C ATOM 1242 CD1 PHE A 129 39.850 1.138 41.844 1.00 7.25 C ATOM 1243 CD2 PHE A 129 39.877 0.246 39.628 1.00 6.60 C ATOM 1244 CE1 PHE A 129 38.530 0.726 41.990 1.00 7.68 C ATOM 1245 CE2 PHE A 129 38.559 -0.166 39.764 1.00 7.71 C ATOM 1246 CZ PHE A 129 37.886 0.079 40.949 1.00 7.55 C ATOM 1247 H PHE A 129 44.517 1.539 40.284 1.00 0.00 H ATOM 1248 N GLU A 130 43.382 -1.529 39.745 1.00 4.92 N ATOM 1249 CA GLU A 130 43.240 -2.903 39.284 1.00 5.37 C ATOM 1250 C GLU A 130 43.710 -3.879 40.356 1.00 6.23 C ATOM 1251 O GLU A 130 43.121 -4.950 40.534 1.00 7.74 O ATOM 1252 CB GLU A 130 44.036 -3.129 37.996 1.00 6.37 C ATOM 1253 CG GLU A 130 43.852 -4.523 37.415 1.00 8.12 C ATOM 1254 CD GLU A 130 44.662 -4.757 36.155 1.00 8.63 C ATOM 1255 OE1 GLU A 130 45.524 -3.918 35.812 1.00 7.72 O ATOM 1256 OE2 GLU A 130 44.430 -5.792 35.497 1.00 10.56 O ATOM 1257 H GLU A 130 44.014 -0.880 39.234 1.00 0.00 H ATOM 1258 N ILE A 131 44.783 -3.528 41.062 1.00 5.99 N ATOM 1259 CA ILE A 131 45.348 -4.450 42.053 1.00 6.54 C ATOM 1260 C ILE A 131 44.890 -4.186 43.481 1.00 6.36 C ATOM 1261 O ILE A 131 45.024 -5.044 44.346 1.00 7.64 O ATOM 1262 CB ILE A 131 46.901 -4.509 42.005 1.00 7.08 C ATOM 1263 CG1 ILE A 131 47.525 -3.163 42.395 1.00 7.09 C ATOM 1264 CG2 ILE A 131 47.366 -4.945 40.636 1.00 8.61 C ATOM 1265 CD1 ILE A 131 49.059 -3.210 42.497 1.00 7.61 C ATOM 1266 H ILE A 131 45.222 -2.597 40.910 1.00 0.00 H ATOM 1267 N ALA A 132 44.345 -3.002 43.731 1.00 5.60 N ATOM 1268 CA ALA A 132 43.920 -2.626 45.077 1.00 6.02 C ATOM 1269 C ALA A 132 42.696 -1.709 45.034 1.00 5.81 C ATOM 1270 O ALA A 132 42.767 -0.526 45.388 1.00 6.05 O ATOM 1271 CB ALA A 132 45.064 -1.962 45.825 1.00 7.40 C ATOM 1272 H ALA A 132 44.218 -2.326 42.951 1.00 0.00 H ATOM 1273 N PRO A 133 41.553 -2.253 44.597 1.00 5.66 N ATOM 1274 CA PRO A 133 40.369 -1.403 44.410 1.00 6.13 C ATOM 1275 C PRO A 133 39.841 -0.778 45.700 1.00 6.53 C ATOM 1276 O PRO A 133 39.145 0.234 45.632 1.00 7.27 O ATOM 1277 CB PRO A 133 39.336 -2.364 43.808 1.00 7.40 C ATOM 1278 CG PRO A 133 39.803 -3.731 44.209 1.00 7.43 C ATOM 1279 CD PRO A 133 41.298 -3.652 44.207 1.00 6.88 C ATOM 1280 N GLU A 134 40.181 -1.366 46.846 1.00 6.72 N ATOM 1281 CA GLU A 134 39.722 -0.866 48.142 1.00 7.34 C ATOM 1282 C GLU A 134 40.658 0.156 48.787 1.00 6.24 C ATOM 1283 O GLU A 134 40.449 0.569 49.927 1.00 7.45 O ATOM 1284 CB GLU A 134 39.542 -2.033 49.116 1.00 10.42 C ATOM 1285 CG GLU A 134 38.698 -3.172 48.588 1.00 14.27 C ATOM 1286 CD GLU A 134 37.270 -2.765 48.310 1.00 19.64 C ATOM 1287 OE1 GLU A 134 36.694 -2.016 49.124 1.00 21.80 O ATOM 1288 OE2 GLU A 134 36.720 -3.204 47.277 1.00 22.51 O ATOM 1289 H GLU A 134 40.792 -2.207 46.818 1.00 0.00 H ATOM 1290 N LEU A 135 41.691 0.564 48.065 1.00 5.96 N ATOM 1291 CA LEU A 135 42.742 1.378 48.651 1.00 6.01 C ATOM 1292 C LEU A 135 42.243 2.712 49.199 1.00 6.31 C ATOM 1293 O LEU A 135 41.452 3.417 48.558 1.00 5.63 O ATOM 1294 CB LEU A 135 43.845 1.621 47.625 1.00 7.08 C ATOM 1295 CG LEU A 135 45.131 2.257 48.159 1.00 8.39 C ATOM 1296 CD1 LEU A 135 46.354 1.590 47.535 1.00 10.36 C ATOM 1297 CD2 LEU A 135 45.149 3.770 47.934 1.00 8.98 C ATOM 1298 H LEU A 135 41.751 0.297 47.062 1.00 0.00 H ATOM 1299 N VAL A 136 42.731 3.048 50.391 1.00 7.07 N ATOM 1300 CA VAL A 136 42.522 4.343 51.016 1.00 7.85 C ATOM 1301 C VAL A 136 43.893 4.975 51.244 1.00 7.73 C ATOM 1302 O VAL A 136 44.809 4.313 51.726 1.00 8.40 O ATOM 1303 CB VAL A 136 41.803 4.184 52.370 1.00 8.99 C ATOM 1304 CG1 VAL A 136 41.663 5.536 53.054 1.00 9.75 C ATOM 1305 CG2 VAL A 136 40.440 3.518 52.169 1.00 10.50 C ATOM 1306 H VAL A 136 43.295 2.342 50.905 1.00 0.00 H ATOM 1307 N PHE A 137 44.034 6.241 50.870 1.00 6.81 N ATOM 1308 CA PHE A 137 45.273 6.992 51.043 1.00 6.60 C ATOM 1309 C PHE A 137 45.471 7.403 52.502 1.00 6.73 C ATOM 1310 O PHE A 137 44.524 7.366 53.294 1.00 7.13 O ATOM 1311 CB PHE A 137 45.230 8.241 50.150 1.00 6.07 C ATOM 1312 CG PHE A 137 45.428 7.948 48.691 1.00 5.97 C ATOM 1313 CD1 PHE A 137 44.360 7.586 47.885 1.00 6.41 C ATOM 1314 CD2 PHE A 137 46.694 8.008 48.133 1.00 6.28 C ATOM 1315 CE1 PHE A 137 44.553 7.294 46.541 1.00 6.85 C ATOM 1316 CE2 PHE A 137 46.894 7.719 46.797 1.00 7.39 C ATOM 1317 CZ PHE A 137 45.819 7.361 46.000 1.00 7.32 C ATOM 1318 H PHE A 137 43.222 6.721 50.432 1.00 0.00 H ATOM 1319 N PRO A 138 46.705 7.814 52.864 1.00 6.69 N ATOM 1320 CA PRO A 138 46.951 8.235 54.250 1.00 6.79 C ATOM 1321 C PRO A 138 46.059 9.387 54.714 1.00 7.01 C ATOM 1322 O PRO A 138 45.788 9.460 55.910 1.00 8.05 O ATOM 1323 CB PRO A 138 48.427 8.661 54.226 1.00 7.87 C ATOM 1324 CG PRO A 138 49.025 7.825 53.148 1.00 7.29 C ATOM 1325 CD PRO A 138 47.957 7.733 52.087 1.00 7.35 C ATOM 1326 N ASP A 139 45.618 10.249 53.796 1.00 7.21 N ATOM 1327 CA ASP A 139 44.742 11.368 54.144 1.00 7.98 C ATOM 1328 C ASP A 139 43.255 10.980 54.144 1.00 7.71 C ATOM 1329 O ASP A 139 42.377 11.840 54.250 1.00 8.51 O ATOM 1330 CB ASP A 139 44.992 12.571 53.222 1.00 9.07 C ATOM 1331 CG ASP A 139 44.473 12.357 51.800 1.00 9.73 C ATOM 1332 OD1 ASP A 139 44.140 11.206 51.435 1.00 8.89 O ATOM 1333 OD2 ASP A 139 44.412 13.357 51.041 1.00 11.84 O ATOM 1334 H ASP A 139 45.905 10.122 52.805 1.00 0.00 H ATOM 1335 N GLY A 140 42.970 9.686 54.021 1.00 6.87 N ATOM 1336 CA GLY A 140 41.595 9.218 54.064 1.00 7.26 C ATOM 1337 C GLY A 140 40.885 9.179 52.720 1.00 7.33 C ATOM 1338 O GLY A 140 39.793 8.615 52.609 1.00 7.91 O ATOM 1339 H GLY A 140 43.742 9.001 53.892 1.00 0.00 H ATOM 1340 N GLU A 141 41.484 9.760 51.686 1.00 6.95 N ATOM 1341 CA GLU A 141 40.821 9.763 50.391 1.00 7.30 C ATOM 1342 C GLU A 141 40.785 8.353 49.808 1.00 6.16 C ATOM 1343 O GLU A 141 41.758 7.604 49.896 1.00 7.27 O ATOM 1344 CB GLU A 141 41.523 10.716 49.432 1.00 9.34 C ATOM 1345 CG GLU A 141 40.718 11.031 48.184 1.00 12.39 C ATOM 1346 CD GLU A 141 41.237 12.249 47.436 1.00 14.16 C ATOM 1347 OE1 GLU A 141 42.404 12.651 47.652 1.00 14.53 O ATOM 1348 OE2 GLU A 141 40.463 12.820 46.637 1.00 15.69 O ATOM 1349 H GLU A 141 42.416 10.207 51.801 1.00 0.00 H ATOM 1350 N MET A 142 39.650 7.988 49.224 1.00 6.55 N ATOM 1351 CA MET A 142 39.512 6.676 48.605 1.00 7.01 C ATOM 1352 C MET A 142 39.901 6.693 47.142 1.00 5.79 C ATOM 1353 O MET A 142 39.463 7.564 46.381 1.00 6.62 O ATOM 1354 CB MET A 142 38.081 6.190 48.720 1.00 9.79 C ATOM 1355 CG MET A 142 37.675 5.925 50.142 1.00 12.76 C ATOM 1356 SD MET A 142 35.942 5.560 50.237 1.00 17.51 S ATOM 1357 CE MET A 142 35.869 4.895 51.892 1.00 18.28 C ATOM 1358 H MET A 142 38.847 8.649 49.208 1.00 0.00 H ATOM 1359 N LEU A 143 40.703 5.710 46.745 1.00 5.62 N ATOM 1360 CA LEU A 143 41.102 5.588 45.355 1.00 5.50 C ATOM 1361 C LEU A 143 39.886 5.492 44.432 1.00 5.39 C ATOM 1362 O LEU A 143 39.839 6.135 43.380 1.00 5.75 O ATOM 1363 CB LEU A 143 42.019 4.379 45.185 1.00 5.73 C ATOM 1364 CG LEU A 143 42.473 4.055 43.763 1.00 6.08 C ATOM 1365 CD1 LEU A 143 43.214 5.223 43.138 1.00 6.85 C ATOM 1366 CD2 LEU A 143 43.358 2.824 43.798 1.00 6.25 C ATOM 1367 H LEU A 143 41.049 5.019 47.440 1.00 0.00 H ATOM 1368 N ARG A 144 38.880 4.720 44.833 1.00 5.51 N ATOM 1369 CA ARG A 144 37.674 4.566 44.023 1.00 5.67 C ATOM 1370 C ARG A 144 36.970 5.905 43.809 1.00 5.90 C ATOM 1371 O ARG A 144 36.398 6.155 42.750 1.00 6.93 O ATOM 1372 CB ARG A 144 36.705 3.575 44.675 1.00 6.24 C ATOM 1373 CG ARG A 144 36.165 4.033 46.029 1.00 6.64 C ATOM 1374 CD ARG A 144 35.053 3.131 46.541 1.00 7.03 C ATOM 1375 NE ARG A 144 35.576 1.855 47.030 1.00 7.46 N ATOM 1376 CZ ARG A 144 36.125 1.695 48.233 1.00 9.36 C ATOM 1377 NH1 ARG A 144 36.221 2.732 49.057 1.00 10.05 N ATOM 1378 NH2 ARG A 144 36.582 0.511 48.612 1.00 10.60 N ATOM 1379 HE ARG A 144 35.516 1.027 46.404 1.00 0.00 H ATOM 1380 HH12 ARG A 144 36.649 2.611 49.997 1.00 0.00 H ATOM 1381 HH11 ARG A 144 35.868 3.665 48.762 1.00 0.00 H ATOM 1382 HH22 ARG A 144 37.009 0.395 49.553 1.00 0.00 H ATOM 1383 HH21 ARG A 144 36.514 -0.303 47.968 1.00 0.00 H ATOM 1384 H ARG A 144 38.953 4.217 45.740 1.00 0.00 H ATOM 1385 N GLN A 145 36.994 6.767 44.826 1.00 5.62 N ATOM 1386 CA GLN A 145 36.293 8.042 44.745 1.00 6.42 C ATOM 1387 C GLN A 145 37.029 9.006 43.811 1.00 6.15 C ATOM 1388 O GLN A 145 36.395 9.741 43.050 1.00 8.37 O ATOM 1389 CB GLN A 145 36.106 8.655 46.138 1.00 7.87 C ATOM 1390 CG GLN A 145 35.179 9.866 46.146 1.00 8.34 C ATOM 1391 CD GLN A 145 33.769 9.505 45.697 1.00 9.07 C ATOM 1392 OE1 GLN A 145 33.106 8.673 46.310 1.00 9.64 O ATOM 1393 NE2 GLN A 145 33.322 10.106 44.602 1.00 11.59 N ATOM 1394 HE22 GLN A 145 33.917 10.805 44.113 1.00 0.00 H ATOM 1395 HE21 GLN A 145 32.377 9.878 44.233 1.00 0.00 H ATOM 1396 H GLN A 145 37.521 6.526 45.690 1.00 0.00 H ATOM 1397 N ILE A 146 38.361 9.015 43.871 1.00 6.18 N ATOM 1398 CA ILE A 146 39.150 9.813 42.943 1.00 6.71 C ATOM 1399 C ILE A 146 38.836 9.418 41.504 1.00 6.43 C ATOM 1400 O ILE A 146 38.601 10.275 40.652 1.00 7.60 O ATOM 1401 CB ILE A 146 40.657 9.632 43.195 1.00 7.76 C ATOM 1402 CG1 ILE A 146 41.032 10.191 44.565 1.00 9.07 C ATOM 1403 CG2 ILE A 146 41.473 10.311 42.096 1.00 8.51 C ATOM 1404 CD1 ILE A 146 42.468 9.915 44.954 1.00 10.76 C ATOM 1405 H ILE A 146 38.844 8.443 44.592 1.00 0.00 H ATOM 1406 N LEU A 147 38.830 8.118 41.234 1.00 5.75 N ATOM 1407 CA LEU A 147 38.611 7.649 39.871 1.00 5.78 C ATOM 1408 C LEU A 147 37.164 7.809 39.420 1.00 6.56 C ATOM 1409 O LEU A 147 36.880 7.885 38.218 1.00 8.01 O ATOM 1410 CB LEU A 147 39.074 6.199 39.713 1.00 5.74 C ATOM 1411 CG LEU A 147 40.591 6.032 39.764 1.00 6.71 C ATOM 1412 CD1 LEU A 147 40.931 4.564 39.890 1.00 7.13 C ATOM 1413 CD2 LEU A 147 41.222 6.621 38.519 1.00 7.38 C ATOM 1414 H LEU A 147 38.982 7.430 41.999 1.00 0.00 H ATOM 1415 N HIS A 148 36.246 7.870 40.375 1.00 6.73 N ATOM 1416 CA HIS A 148 34.846 8.093 40.038 1.00 7.40 C ATOM 1417 C HIS A 148 34.601 9.561 39.672 1.00 8.61 C ATOM 1418 O HIS A 148 33.847 9.859 38.754 1.00 9.48 O ATOM 1419 CB HIS A 148 33.940 7.678 41.196 1.00 7.47 C ATOM 1420 CG HIS A 148 32.542 7.367 40.776 1.00 7.53 C ATOM 1421 ND1 HIS A 148 31.534 8.309 40.763 1.00 8.50 N ATOM 1422 CD2 HIS A 148 31.980 6.209 40.361 1.00 8.28 C ATOM 1423 CE1 HIS A 148 30.411 7.740 40.362 1.00 9.27 C ATOM 1424 NE2 HIS A 148 30.656 6.468 40.104 1.00 9.54 N ATOM 1425 H HIS A 148 36.527 7.758 41.370 1.00 0.00 H ATOM 1426 N THR A 149 35.273 10.466 40.380 1.00 10.13 N ATOM 1427 CA THR A 149 34.995 11.901 40.303 1.00 12.46 C ATOM 1428 C THR A 149 35.817 12.639 39.252 1.00 13.72 C ATOM 1429 O THR A 149 35.314 13.535 38.568 1.00 15.93 O ATOM 1430 CB THR A 149 35.262 12.578 41.671 1.00 15.01 C ATOM 1431 OG1 THR A 149 34.396 12.015 42.662 1.00 16.66 O ATOM 1432 CG2 THR A 149 35.034 14.092 41.594 1.00 16.12 C ATOM 1433 HG1 THR A 149 34.569 11.043 42.736 1.00 0.00 H ATOM 1434 H THR A 149 36.029 10.139 41.016 1.00 0.00 H ATOM 1435 N ARG A 150 37.088 12.275 39.127 1.00 13.17 N ATOM 1436 CA ARG A 150 37.997 13.053 38.304 1.00 14.42 C ATOM 1437 C ARG A 150 38.157 12.500 36.894 1.00 13.73 C ATOM 1438 O ARG A 150 38.150 11.282 36.679 1.00 14.23 O ATOM 1439 CB ARG A 150 39.348 13.198 39.004 1.00 17.78 C ATOM 1440 CG ARG A 150 39.277 14.070 40.247 1.00 21.66 C ATOM 1441 CD ARG A 150 40.612 14.750 40.492 1.00 24.15 C ATOM 1442 NE ARG A 150 41.270 15.138 39.247 1.00 25.99 N ATOM 1443 CZ ARG A 150 42.586 15.258 39.112 1.00 27.40 C ATOM 1444 NH1 ARG A 150 43.379 15.013 40.144 1.00 27.11 N ATOM 1445 NH2 ARG A 150 43.113 15.615 37.948 1.00 28.87 N ATOM 1446 HE ARG A 150 40.673 15.332 38.418 1.00 0.00 H ATOM 1447 HH12 ARG A 150 44.410 15.106 40.041 1.00 0.00 H ATOM 1448 HH11 ARG A 150 42.971 14.728 41.057 1.00 0.00 H ATOM 1449 HH22 ARG A 150 44.144 15.707 37.850 1.00 0.00 H ATOM 1450 HH21 ARG A 150 42.495 15.803 37.133 1.00 0.00 H ATOM 1451 H ARG A 150 37.434 11.428 39.621 1.00 0.00 H ATOM 1452 N ALA A 151 38.287 13.409 35.934 1.00 14.27 N ATOM 1453 CA ALA A 151 38.457 13.026 34.545 1.00 15.93 C ATOM 1454 C ALA A 151 39.873 12.517 34.310 1.00 17.16 C ATOM 1455 O ALA A 151 40.854 13.247 34.460 1.00 17.97 O ATOM 1456 CB ALA A 151 38.136 14.203 33.622 1.00 16.81 C ATOM 1457 H ALA A 151 38.266 14.418 36.184 1.00 0.00 H ATOM 1458 N PHE A 152 39.965 11.235 33.994 1.00 17.39 N ATOM 1459 CA PHE A 152 41.196 10.634 33.520 1.00 17.18 C ATOM 1460 C PHE A 152 40.834 9.872 32.262 1.00 19.46 C ATOM 1461 O PHE A 152 39.742 9.313 32.169 1.00 20.80 O ATOM 1462 CB PHE A 152 41.770 9.659 34.552 1.00 15.66 C ATOM 1463 CG PHE A 152 42.303 10.322 35.791 1.00 14.10 C ATOM 1464 CD1 PHE A 152 43.470 11.070 35.747 1.00 13.89 C ATOM 1465 CD2 PHE A 152 41.640 10.191 37.001 1.00 14.41 C ATOM 1466 CE1 PHE A 152 43.960 11.676 36.883 1.00 14.23 C ATOM 1467 CE2 PHE A 152 42.127 10.796 38.143 1.00 14.73 C ATOM 1468 CZ PHE A 152 43.288 11.539 38.084 1.00 13.78 C ATOM 1469 H PHE A 152 39.121 10.635 34.090 1.00 0.00 H ATOM 1470 N ASP A 153 41.733 9.854 31.288 1.00 21.15 N ATOM 1471 CA ASP A 153 41.525 9.016 30.116 1.00 23.26 C ATOM 1472 C ASP A 153 41.608 7.548 30.513 1.00 21.75 C ATOM 1473 O ASP A 153 42.355 7.180 31.421 1.00 20.96 O ATOM 1474 CB ASP A 153 42.560 9.321 29.031 1.00 26.94 C ATOM 1475 CG ASP A 153 42.288 10.627 28.313 1.00 30.64 C ATOM 1476 OD1 ASP A 153 41.118 11.064 28.295 1.00 32.14 O ATOM 1477 OD2 ASP A 153 43.243 11.215 27.760 1.00 32.03 O ATOM 1478 H ASP A 153 42.589 10.440 31.361 1.00 0.00 H ATOM 1479 N LYS A 154 40.829 6.712 29.837 1.00 21.30 N ATOM 1480 CA LYS A 154 40.924 5.274 30.021 1.00 20.67 C ATOM 1481 C LYS A 154 42.285 4.812 29.523 1.00 17.11 C ATOM 1482 O LYS A 154 42.815 5.366 28.554 1.00 17.56 O ATOM 1483 CB LYS A 154 39.818 4.583 29.234 1.00 23.26 C ATOM 1484 CG LYS A 154 39.167 5.492 28.200 1.00 25.07 C ATOM 1485 CD LYS A 154 38.259 4.716 27.256 1.00 26.74 C ATOM 1486 CE LYS A 154 36.897 5.377 27.115 1.00 27.37 C ATOM 1487 NZ LYS A 154 37.010 6.814 26.742 1.00 27.46 N ATOM 1488 HZ1 LYS A 154 37.543 7.321 27.477 1.00 0.00 H ATOM 1489 HZ2 LYS A 154 37.507 6.897 25.832 1.00 0.00 H ATOM 1490 HZ3 LYS A 154 36.058 7.225 26.657 1.00 0.00 H ATOM 1491 H LYS A 154 40.137 7.094 29.162 1.00 0.00 H ATOM 1492 N LEU A 155 42.857 3.816 30.193 1.00 15.91 N ATOM 1493 CA LEU A 155 44.120 3.236 29.755 1.00 14.59 C ATOM 1494 C LEU A 155 43.857 2.083 28.818 1.00 14.44 C ATOM 1495 O LEU A 155 42.899 1.331 28.991 1.00 17.03 O ATOM 1496 CB LEU A 155 44.936 2.710 30.933 1.00 15.24 C ATOM 1497 CG LEU A 155 45.473 3.696 31.965 1.00 14.49 C ATOM 1498 CD1 LEU A 155 46.595 3.056 32.776 1.00 12.99 C ATOM 1499 CD2 LEU A 155 45.941 4.989 31.315 1.00 14.64 C ATOM 1500 H LEU A 155 42.394 3.444 31.046 1.00 0.00 H ATOM 1501 N ASN A 156 44.723 1.937 27.829 1.00 12.57 N ATOM 1502 CA ASN A 156 44.665 0.793 26.946 1.00 13.32 C ATOM 1503 C ASN A 156 45.738 -0.200 27.348 1.00 12.58 C ATOM 1504 O ASN A 156 46.851 0.192 27.704 1.00 11.53 O ATOM 1505 CB ASN A 156 44.862 1.230 25.499 1.00 15.70 C ATOM 1506 CG ASN A 156 43.799 2.210 25.043 1.00 17.75 C ATOM 1507 OD1 ASN A 156 42.626 1.858 24.943 1.00 19.44 O ATOM 1508 ND2 ASN A 156 44.207 3.440 24.749 1.00 18.85 N ATOM 1509 HD22 ASN A 156 45.211 3.693 24.849 1.00 0.00 H ATOM 1510 HD21 ASN A 156 43.522 4.150 24.419 1.00 0.00 H ATOM 1511 H ASN A 156 45.459 2.658 27.684 1.00 0.00 H ATOM 1512 N LYS A 157 45.400 -1.484 27.320 1.00 14.04 N ATOM 1513 CA LYS A 157 46.374 -2.502 27.671 1.00 15.56 C ATOM 1514 C LYS A 157 47.430 -2.650 26.578 1.00 15.04 C ATOM 1515 O LYS A 157 47.154 -2.433 25.392 1.00 17.67 O ATOM 1516 CB LYS A 157 45.680 -3.824 28.021 1.00 17.72 C ATOM 1517 CG LYS A 157 45.058 -3.786 29.429 1.00 20.57 C ATOM 1518 CD LYS A 157 44.126 -4.946 29.741 1.00 23.45 C ATOM 1519 CE LYS A 157 43.468 -4.727 31.104 1.00 25.94 C ATOM 1520 NZ LYS A 157 42.444 -5.757 31.448 1.00 27.53 N ATOM 1521 HZ1 LYS A 157 41.689 -5.745 30.733 1.00 0.00 H ATOM 1522 HZ2 LYS A 157 42.891 -6.696 31.466 1.00 0.00 H ATOM 1523 HZ3 LYS A 157 42.041 -5.545 32.383 1.00 0.00 H ATOM 1524 H LYS A 157 44.436 -1.761 27.046 1.00 0.00 H ATOM 1525 N TRP A 158 48.650 -2.970 27.006 1.00 14.25 N ATOM 1526 CA TRP A 158 49.801 -3.150 26.126 1.00 15.48 C ATOM 1527 C TRP A 158 49.519 -4.253 25.114 1.00 18.55 C ATOM 1528 O TRP A 158 49.886 -4.151 23.942 1.00 19.97 O ATOM 1529 CB TRP A 158 51.041 -3.485 26.974 1.00 15.39 C ATOM 1530 CG TRP A 158 52.358 -3.577 26.225 1.00 15.10 C ATOM 1531 CD1 TRP A 158 52.930 -4.704 25.699 1.00 16.67 C ATOM 1532 CD2 TRP A 158 53.276 -2.506 25.961 1.00 14.24 C ATOM 1533 NE1 TRP A 158 54.131 -4.396 25.114 1.00 16.13 N ATOM 1534 CE2 TRP A 158 54.367 -3.054 25.254 1.00 15.04 C ATOM 1535 CE3 TRP A 158 53.275 -1.136 26.238 1.00 13.36 C ATOM 1536 CZ2 TRP A 158 55.449 -2.276 24.827 1.00 14.43 C ATOM 1537 CZ3 TRP A 158 54.348 -0.366 25.806 1.00 13.25 C ATOM 1538 CH2 TRP A 158 55.418 -0.937 25.110 1.00 13.58 C ATOM 1539 OXT TRP A 158 48.894 -5.264 25.445 1.00 21.27 O ATOM 1540 HE1 TRP A 158 54.762 -5.073 24.640 1.00 0.00 H ATOM 1541 H TRP A 158 48.791 -3.099 28.028 1.00 0.00 H TER 1542 TRP A 158 HETATM 1543 CA CA A 1 58.231 8.890 37.617 1.00 7.59 CA HETATM 1544 CA CA A 2 61.410 7.984 39.428 1.00 5.91 CA HETATM 1545 CA CA A 3 62.014 -11.263 48.135 1.00 9.82 CA HETATM 1546 O HOH 4 47.456 11.115 50.871 1.00 4.76 O HETATM 1547 O HOH 5 39.195 2.723 46.946 1.00 6.70 O HETATM 1548 O HOH 6 51.975 5.640 51.981 1.00 7.26 O HETATM 1549 O HOH 7 64.244 6.722 42.783 1.00 6.74 O HETATM 1550 O HOH 8 67.622 5.185 30.534 1.00 8.76 O HETATM 1551 O HOH 9 63.585 3.956 42.497 1.00 6.82 O HETATM 1552 O HOH 10 61.457 9.221 41.409 1.00 7.60 O HETATM 1553 O HOH 11 58.886 -4.347 24.142 1.00 9.93 O HETATM 1554 O HOH 12 63.030 6.520 40.238 1.00 8.51 O HETATM 1555 O HOH 13 54.665 8.694 21.978 1.00 6.95 O HETATM 1556 O HOH 14 50.852 12.554 25.132 1.00 9.75 O HETATM 1557 O HOH 15 52.507 3.135 36.517 1.00 9.95 O HETATM 1558 O HOH 16 46.348 11.484 33.417 1.00 10.60 O HETATM 1559 O HOH 17 55.039 -10.517 30.600 1.00 11.08 O HETATM 1560 O HOH 18 61.497 18.162 29.138 1.00 10.93 O HETATM 1561 O HOH 19 51.416 11.463 22.687 1.00 10.28 O HETATM 1562 O HOH 20 66.761 -7.512 43.168 1.00 11.90 O HETATM 1563 O HOH 21 63.453 -5.216 58.687 1.00 12.70 O HETATM 1564 O HOH 22 49.077 13.557 44.246 1.00 13.30 O HETATM 1565 O HOH 23 39.891 -3.505 40.393 1.00 11.43 O HETATM 1566 O HOH 24 57.129 12.061 45.761 1.00 13.85 O HETATM 1567 O HOH 25 67.249 -6.272 36.770 1.00 11.19 O HETATM 1568 O HOH 26 38.539 8.675 36.215 1.00 14.64 O HETATM 1569 O HOH 27 68.514 -5.887 39.284 1.00 11.43 O HETATM 1570 O HOH 28 53.910 11.339 21.699 1.00 11.50 O HETATM 1571 O HOH 29 66.128 -8.926 36.569 1.00 13.21 O HETATM 1572 O HOH 30 57.258 4.772 37.781 1.00 12.26 O HETATM 1573 O HOH 31 73.075 -6.538 42.965 1.00 15.97 O HETATM 1574 O HOH 32 37.217 9.722 49.300 1.00 16.13 O HETATM 1575 O HOH 33 60.591 -13.184 48.144 1.00 13.68 O HETATM 1576 O HOH 34 55.457 4.831 20.917 1.00 12.35 O HETATM 1577 O HOH 35 41.960 -3.704 47.621 1.00 15.15 O HETATM 1578 O HOH 36 54.044 16.251 37.557 1.00 11.51 O HETATM 1579 O HOH 37 50.999 8.744 21.881 1.00 12.71 O HETATM 1580 O HOH 38 51.795 16.788 28.895 1.00 17.22 O HETATM 1581 O HOH 39 58.965 9.848 35.544 1.00 14.41 O HETATM 1582 O HOH 40 63.576 4.563 55.902 1.00 15.16 O HETATM 1583 O HOH 41 47.413 4.457 52.753 1.00 15.24 O HETATM 1584 O HOH 42 56.277 8.607 36.418 1.00 14.15 O HETATM 1585 O HOH 43 58.117 6.225 34.182 1.00 13.54 O HETATM 1586 O HOH 44 49.620 8.251 58.226 1.00 14.78 O HETATM 1587 O HOH 45 47.270 -5.877 45.604 1.00 13.43 O HETATM 1588 O HOH 46 60.330 -9.824 46.871 1.00 12.70 O HETATM 1589 O HOH 47 46.678 3.941 27.649 1.00 14.16 O HETATM 1590 O HOH 48 53.537 13.386 49.606 1.00 14.75 O HETATM 1591 O HOH 49 47.799 9.111 32.407 1.00 16.03 O HETATM 1592 O HOH 50 68.703 -2.031 29.634 1.00 20.16 O HETATM 1593 O HOH 51 63.991 -12.503 47.862 1.00 18.42 O HETATM 1594 O HOH 52 38.313 7.222 54.376 1.00 13.51 O HETATM 1595 O HOH 53 60.879 -15.802 48.458 1.00 15.80 O HETATM 1596 O HOH 54 67.322 10.540 53.073 1.00 20.24 O HETATM 1597 O HOH 55 71.157 6.909 36.024 1.00 16.94 O HETATM 1598 O HOH 56 68.358 -7.881 41.068 1.00 14.71 O HETATM 1599 O HOH 57 62.014 0.073 22.625 1.00 18.87 O HETATM 1600 O HOH 58 44.080 0.961 51.928 1.00 21.69 O HETATM 1601 O HOH 59 60.148 2.157 23.331 1.00 16.98 O HETATM 1602 O HOH 60 48.882 8.682 29.876 1.00 20.22 O HETATM 1603 O HOH 61 47.412 -5.183 48.161 1.00 21.42 O HETATM 1604 O HOH 62 55.037 5.987 36.626 1.00 18.23 O HETATM 1605 O HOH 63 50.470 18.421 40.922 1.00 18.56 O HETATM 1606 O HOH 64 53.211 3.087 20.801 1.00 18.40 O HETATM 1607 O HOH 65 44.735 8.292 32.110 1.00 21.61 O HETATM 1608 O HOH 66 49.067 12.795 48.794 1.00 20.96 O HETATM 1609 O HOH 67 62.840 -9.655 30.165 1.00 16.35 O HETATM 1610 O HOH 68 54.816 13.087 51.960 1.00 17.55 O HETATM 1611 O HOH 69 57.382 2.198 23.620 1.00 16.81 O HETATM 1612 O HOH 70 61.766 -13.168 41.389 1.00 22.27 O HETATM 1613 O HOH 71 32.924 8.173 36.490 1.00 17.96 O HETATM 1614 O HOH 72 44.213 11.559 31.833 1.00 22.17 O HETATM 1615 O HOH 73 64.003 13.554 46.965 1.00 24.62 O HETATM 1616 O HOH 74 56.233 -5.676 23.399 1.00 18.81 O HETATM 1617 O HOH 75 51.294 1.547 57.580 1.00 20.09 O HETATM 1618 O HOH 76 67.657 -4.325 31.373 1.00 26.30 O HETATM 1619 O HOH 77 48.107 12.379 25.011 1.00 23.67 O HETATM 1620 O HOH 78 38.183 16.427 36.673 1.00 27.91 O HETATM 1621 O HOH 79 65.471 -4.494 57.499 1.00 29.23 O HETATM 1622 O HOH 80 53.583 8.232 58.782 1.00 21.32 O HETATM 1623 O HOH 81 49.883 12.121 46.379 1.00 20.38 O HETATM 1624 O HOH 82 47.282 15.444 45.109 1.00 27.40 O HETATM 1625 O HOH 83 68.455 -4.807 52.363 1.00 26.01 O HETATM 1626 O HOH 84 46.507 -9.045 38.794 1.00 17.53 O HETATM 1627 O HOH 85 58.070 19.270 40.018 1.00 21.01 O HETATM 1628 O HOH 86 63.934 -14.414 45.580 1.00 22.88 O HETATM 1629 O HOH 87 54.203 1.325 22.230 1.00 27.05 O HETATM 1630 O HOH 88 66.868 12.210 55.306 1.00 22.66 O HETATM 1631 O HOH 89 67.075 12.630 45.914 1.00 26.36 O HETATM 1632 O HOH 90 38.022 1.376 50.900 1.00 19.98 O HETATM 1633 O HOH 91 44.249 16.202 52.595 1.00 25.77 O HETATM 1634 O HOH 92 47.510 -0.606 23.490 1.00 17.85 O HETATM 1635 O HOH 93 62.269 16.434 19.730 1.00 22.29 O HETATM 1636 O HOH 94 54.065 15.766 48.539 1.00 24.93 O HETATM 1637 O HOH 95 67.475 -10.435 40.688 1.00 29.12 O HETATM 1638 O HOH 96 69.052 6.772 53.229 1.00 22.58 O HETATM 1639 O HOH 97 62.348 13.475 48.894 1.00 21.02 O HETATM 1640 O HOH 98 42.354 -2.161 26.936 1.00 24.26 O HETATM 1641 O HOH 99 40.649 -5.880 40.356 1.00 28.12 O HETATM 1642 O HOH 100 49.432 12.224 52.876 1.00 23.01 O HETATM 1643 O HOH 101 45.389 6.369 27.507 1.00 24.26 O HETATM 1644 O HOH 102 37.903 8.445 33.669 1.00 21.91 O HETATM 1645 O HOH 103 63.526 -2.658 59.080 1.00 25.85 O HETATM 1646 O HOH 104 46.564 14.637 48.577 1.00 33.01 O HETATM 1647 O HOH 105 51.702 6.632 59.667 1.00 31.67 O HETATM 1648 O HOH 106 41.924 -0.695 24.544 1.00 26.38 O HETATM 1649 O HOH 107 68.776 15.575 27.496 1.00 30.63 O HETATM 1650 O HOH 108 51.472 3.344 59.688 1.00 23.20 O HETATM 1651 O HOH 109 50.034 -1.930 54.649 1.00 24.30 O HETATM 1652 O HOH 110 66.816 -10.278 34.159 1.00 27.09 O HETATM 1653 O HOH 111 74.042 11.484 30.362 1.00 33.92 O HETATM 1654 O HOH 112 67.713 8.386 56.498 1.00 21.30 O HETATM 1655 O HOH 113 67.206 -10.573 38.196 1.00 29.62 O HETATM 1656 O HOH 114 56.810 6.792 58.882 1.00 36.00 O HETATM 1657 O HOH 115 69.695 4.109 29.046 1.00 29.99 O HETATM 1658 O HOH 116 58.643 -2.320 22.222 1.00 25.46 O HETATM 1659 O HOH 117 61.879 -4.769 60.428 1.00 27.75 O HETATM 1660 O HOH 118 66.016 -12.610 49.844 1.00 23.79 O HETATM 1661 O HOH 119 57.979 1.510 58.593 1.00 33.84 O HETATM 1662 O HOH 120 42.639 -0.522 35.171 1.00 34.42 O HETATM 1663 O HOH 121 47.129 14.653 51.216 1.00 31.62 O HETATM 1664 O HOH 122 54.715 -4.027 21.513 1.00 33.02 O HETATM 1665 O HOH 123 62.923 13.170 35.123 1.00 27.54 O HETATM 1666 O HOH 124 69.596 -6.581 35.075 1.00 27.67 O HETATM 1667 O HOH 125 66.398 -6.362 29.238 1.00 36.27 O HETATM 1668 O HOH 126 47.293 -6.398 50.172 1.00 33.25 O HETATM 1669 O HOH 127 47.414 2.184 23.844 1.00 23.16 O HETATM 1670 O HOH 128 65.119 14.213 38.965 1.00 30.98 O HETATM 1671 O HOH 129 59.469 11.079 57.340 1.00 24.74 O HETATM 1672 O HOH 130 68.734 -1.470 51.309 1.00 24.10 O HETATM 1673 O HOH 131 51.390 -3.172 58.738 1.00 30.38 O HETATM 1674 O HOH 132 57.394 2.762 20.923 1.00 31.89 O HETATM 1675 O HOH 133 67.449 7.758 29.948 1.00 23.85 O HETATM 1676 O HOH 134 70.601 -2.198 50.052 1.00 32.66 O HETATM 1677 O HOH 135 47.860 10.161 57.596 1.00 27.55 O HETATM 1678 O HOH 136 41.191 14.313 53.062 1.00 40.70 O HETATM 1679 O HOH 137 47.204 3.894 21.749 1.00 32.24 O HETATM 1680 O HOH 138 74.052 -1.198 34.399 1.00 36.42 O HETATM 1681 O HOH 139 39.803 -3.265 37.712 1.00 29.49 O HETATM 1682 O HOH 140 58.969 15.537 51.211 1.00 29.03 O HETATM 1683 O HOH 141 51.653 16.386 46.890 1.00 31.17 O HETATM 1684 O HOH 142 50.824 -0.841 57.043 1.00 38.57 O HETATM 1685 O HOH 143 43.287 15.072 46.826 1.00 29.36 O HETATM 1686 O HOH 144 51.233 8.953 19.081 1.00 31.65 O HETATM 1687 O HOH 145 41.880 -0.745 52.104 1.00 35.56 O HETATM 1688 O HOH 146 41.813 14.205 44.145 1.00 34.95 O HETATM 1689 O HOH 147 61.477 16.030 38.138 1.00 36.27 O HETATM 1690 O HOH 148 51.441 10.134 59.646 1.00 44.79 O HETATM 1691 O HOH 149 65.650 -5.244 26.646 1.00 36.64 O HETATM 1692 O HOH 150 40.244 -6.298 46.445 1.00 38.07 O HETATM 1693 O HOH 151 66.897 -15.068 42.358 1.00 31.26 O HETATM 1694 O HOH 152 59.914 16.419 39.675 1.00 39.03 O HETATM 1695 O HOH 153 66.491 10.545 57.686 1.00 27.10 O HETATM 1696 O HOH 154 72.441 15.032 29.590 1.00 38.56 O HETATM 1697 O HOH 155 55.799 -2.035 21.134 1.00 40.64 O HETATM 1698 O HOH 156 53.968 11.710 18.977 1.00 32.70 O HETATM 1699 O HOH 157 67.135 9.388 34.487 1.00 31.20 O HETATM 1700 O HOH 158 59.155 -1.033 57.552 1.00 24.01 O HETATM 1701 O HOH 159 47.257 -2.149 51.346 1.00 25.24 O HETATM 1702 O HOH 160 43.578 -2.016 50.056 1.00 39.22 O HETATM 1703 O HOH 161 48.906 5.631 23.114 1.00 33.52 O HETATM 1704 O HOH 162 46.333 8.279 29.420 1.00 27.00 O HETATM 1705 O HOH 163 70.530 2.014 53.920 1.00 33.12 O HETATM 1706 O HOH 164 37.337 -5.596 45.813 1.00 26.51 O HETATM 1707 O HOH 165 36.638 9.286 52.386 1.00 37.31 O HETATM 1708 O HOH 166 37.967 11.982 46.203 1.00 29.59 O HETATM 1709 O HOH 167 49.601 -6.879 27.720 1.00 28.15 O HETATM 1710 O HOH 168 48.705 -6.964 30.488 1.00 11.89 O HETATM 1711 O HOH 169 59.036 8.196 33.492 1.00 26.28 O HETATM 1712 O HOH 170 72.678 2.397 34.266 1.00 14.18 O HETATM 1713 O HOH 171 44.477 -7.978 40.579 1.00 30.62 O HETATM 1714 O HOH 172 44.614 -8.220 36.900 1.00 41.58 O HETATM 1715 O HOH 173 58.759 20.928 42.024 1.00 33.29 O HETATM 1716 O HOH 174 45.698 6.263 25.245 1.00 45.36 O HETATM 1717 O HOH 175 66.669 10.623 31.910 1.00 44.26 O HETATM 1718 O HOH 176 62.353 13.959 24.676 1.00 19.62 O HETATM 1719 O HOH 177 64.096 15.606 23.099 1.00 20.89 O HETATM 1720 O HOH 178 45.058 15.552 50.602 1.00 16.69 O HETATM 1721 O HOH 179 56.986 -2.754 57.950 1.00 37.00 O HETATM 1722 O HOH 180 68.938 -8.591 45.379 1.00 36.56 O HETATM 1723 O HOH 181 67.730 -7.315 54.032 1.00 39.43 O HETATM 1724 O HOH 182 62.349 -7.200 59.760 1.00 35.96 O HETATM 1725 O HOH 183 57.858 9.077 58.103 1.00 34.63 O HETATM 1726 O HOH 184 66.288 16.297 49.216 1.00 30.45 O HETATM 1727 O HOH 185 51.171 17.937 43.402 1.00 35.68 O HETATM 1728 O HOH 186 47.791 17.522 43.542 1.00 38.86 O HETATM 1729 O HOH 187 43.793 -7.520 44.134 1.00 35.28 O HETATM 1730 O HOH 188 32.994 15.208 38.296 1.00 34.84 O HETATM 1731 O HOH 189 43.083 13.908 42.132 1.00 27.47 O HETATM 1732 O HOH 190 41.799 -0.001 31.287 1.00 33.38 O HETATM 1733 O HOH 191 41.569 2.456 32.435 1.00 22.92 O HETATM 1734 O HOH 192 40.185 -1.247 36.150 1.00 29.82 O HETATM 1735 O HOH 193 48.990 -0.660 52.160 1.00 33.66 O HETATM 1736 O HOH 194 41.147 15.668 36.081 1.00 41.01 O HETATM 1737 O HOH 195 43.469 14.007 33.486 1.00 33.03 O HETATM 1738 O HOH 196 44.553 15.412 44.296 1.00 41.29 O HETATM 1739 O HOH 197 38.557 2.200 32.434 1.00 29.21 O HETATM 1740 O16 YH A 3 54.267 12.358 34.599 1.00 -0.38 O HETATM 1741 C14 YH A 3 54.797 13.416 34.291 1.00 0.14 C HETATM 1742 C15 YH A 3 53.933 14.655 34.364 1.00 0.03 C HETATM 1743 C17 YH A 3 52.644 14.571 34.902 1.00 -0.04 C HETATM 1744 C18 YH A 3 51.812 15.688 34.987 1.00 -0.04 C HETATM 1745 C22 YH A 3 50.439 15.582 35.574 1.00 -0.03 C HETATM 1746 H2 YH A 3 49.952 16.568 35.548 1.00 0.04 H HETATM 1747 H3 YH A 3 50.511 15.236 36.616 1.00 0.04 H HETATM 1748 H4 YH A 3 49.845 14.864 34.990 1.00 0.04 H HETATM 1749 C19 YH A 3 52.261 16.913 34.522 1.00 -0.06 C HETATM 1750 C20 YH A 3 53.536 17.015 33.984 1.00 -0.06 C HETATM 1751 C21 YH A 3 54.364 15.898 33.903 1.00 -0.05 C HETATM 1752 H7 YH A 3 55.356 15.996 33.476 1.00 0.06 H HETATM 1753 H6 YH A 3 53.891 17.974 33.623 1.00 0.06 H HETATM 1754 H5 YH A 3 51.621 17.786 34.578 1.00 0.06 H HETATM 1755 H1 YH A 3 52.283 13.614 35.262 1.00 0.06 H HETATM 1756 C13 YH A 3 56.251 13.431 33.850 1.00 0.09 C HETATM 1757 S12 YH A 3 57.341 11.995 33.795 1.00 -0.02 S HETATM 1758 C10 YH A 3 56.375 10.696 33.161 1.00 0.18 C HETATM 1759 N09 YH A 3 55.504 10.904 32.174 1.00 -0.31 N HETATM 1760 C04 YH A 3 54.899 9.715 31.925 1.00 0.04 C HETATM 1761 C05 YH A 3 55.428 8.773 32.784 1.00 0.14 C HETATM 1762 N11 YH A 3 56.359 9.415 33.562 1.00 -0.25 N HETATM 1763 H10 YH A 3 56.933 8.996 34.307 1.00 0.23 H HETATM 1764 C06 YH A 3 54.950 7.451 32.712 1.00 0.23 C HETATM 1765 N01 YH A 3 53.994 7.187 31.819 1.00 -0.18 N HETATM 1766 C02 YH A 3 53.519 8.137 31.003 1.00 0.23 C HETATM 1767 N03 YH A 3 53.950 9.390 31.015 1.00 -0.31 N HETATM 1768 N08 YH A 3 52.508 7.784 30.090 1.00 -0.28 N HETATM 1769 H11 YH A 3 52.122 8.492 29.449 1.00 0.19 H HETATM 1770 H12 YH A 3 52.154 6.817 30.062 1.00 0.19 H HETATM 1771 H13 YH A 3 53.624 6.260 31.758 1.00 0.25 H HETATM 1772 O07 YH A 3 55.426 6.478 33.538 1.00 -0.41 O HETATM 1773 H8 YH A 3 56.750 14.150 34.516 1.00 0.06 H HETATM 1774 H9 YH A 3 56.240 13.828 32.824 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 229 228 1545 CONECT 243 242 1545 CONECT 269 268 1545 CONECT 902 901 1544 CONECT 903 901 1543 CONECT 920 919 1544 CONECT 921 919 1543 CONECT 1543 903 921 CONECT 1544 902 920 CONECT 1545 229 243 269 CONECT 1740 1741 CONECT 1741 1740 1742 1756 CONECT 1742 1741 1743 1751 CONECT 1743 1742 1744 1755 CONECT 1744 1743 1745 1749 CONECT 1745 1744 1746 1747 1748 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1745 CONECT 1749 1744 1750 1754 CONECT 1750 1749 1751 1753 CONECT 1751 1742 1750 1752 CONECT 1752 1751 CONECT 1753 1750 CONECT 1754 1749 CONECT 1755 1743 CONECT 1756 1741 1757 1773 1774 CONECT 1757 1756 1758 CONECT 1758 1757 1759 1762 CONECT 1759 1758 1760 CONECT 1760 1759 1761 1767 CONECT 1761 1760 1762 1764 CONECT 1762 1758 1761 1763 CONECT 1763 1762 CONECT 1764 1761 1765 1772 CONECT 1765 1764 1766 1771 CONECT 1766 1765 1767 1768 CONECT 1767 1760 1766 CONECT 1768 1766 1769 1770 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1765 CONECT 1772 1764 CONECT 1773 1756 CONECT 1774 1756 MASTER 0 0 0 0 0 0 0 0 1773 1 49 13 END
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Related entries of code: 4m5k
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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158aa, >1EX8_1|Chain... at 100%
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158aa, >3UD5_1|Chain... at 100%
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158aa, >3UDV_1|Chain... at 100%
4f7v
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PDBbind
158aa, >4F7V_1|Chain... at 100%
4m5g
RCSB PDB
PDBbind
162aa, >4M5G_1|Chain... *
4m5h
RCSB PDB
PDBbind
162aa, >4M5H_1|Chain... at 100%
4m5i
RCSB PDB
PDBbind
162aa, >4M5I_1|Chain... at 100%
4m5j
RCSB PDB
PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5l
RCSB PDB
PDBbind
162aa, >4M5L_1|Chain... at 100%
4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
5etk
RCSB PDB
PDBbind
162aa, >5ETK_1|Chain... at 99%
5etl
RCSB PDB
PDBbind
162aa, >5ETL_1|Chains... at 99%
5etm
RCSB PDB
PDBbind
162aa, >5ETM_1|Chain... at 99%
5etn
RCSB PDB
PDBbind
162aa, >5ETN_1|Chain... at 99%
5eto
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162aa, >5ETO_1|Chain... at 99%
5etp
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4m5k
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Ligand Name
YH3
EC.Number
E.C.2.7.6.3
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=5.9uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem. Vol. 22: pp. 2157-2165
Ligand Properties
Formula
C
1
4
H
1
3
N
5
O
2
S
Molecular Weight
315.350
Exact Mass
315.079
No. of atoms
35
No. of bonds
37
Polar Surface Area
142.82
LOGP Value
1.55 (
Computed with XLOGP3
)
2.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
Cc1cccc(c1)C(=O)CSc1nc2c([nH]1)c(=O)[nH]c(n2)N
InChI String
InChI=1S/C14H13N5O2S/c1-7-3-2-4-8(5-7)9(20)6-22-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
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