Browse entries in the PDBbind-CN Database
HEADER 4Z2P_COMPLEX COMPND 4Z2P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 SER PRO ASP MET LYS LEU LEU ALA GLY ALA SER ASN TRP SEQRES 2 A 127 VAL ASN GLN SER GLY SER VAL ALA GLN PHE VAL PHE THR SEQRES 3 A 127 PRO SER PRO THR GLN PRO GLN THR TYR GLU VAL SER GLY SEQRES 4 A 127 ASN TYR ILE ASN ASN ALA GLN GLY THR GLY CYS LYS GLY SEQRES 5 A 127 THR PRO TYR PRO LEU SER GLY ALA TYR TYR SER GLY ASN SEQRES 6 A 127 GLN ILE ILE SER PHE SER VAL VAL TRP SER ASN ALA SER SEQRES 7 A 127 ALA ASN CYS GLN SER ALA THR GLY TRP THR GLY TYR PHE SEQRES 8 A 127 ASP PHE SER GLY SER GLN ALA VAL LEU LYS THR ASP TRP SEQRES 9 A 127 ASN LEU ALA PHE TYR SER GLY SER THR PRO ALA ILE GLN SEQRES 10 A 127 GLN GLY GLN ASP ASP PHE MET GLN SER VAL SEQRES 1 B 126 SER PRO ASP MET LYS LEU LEU ALA GLY ALA SER ASN TRP SEQRES 2 B 126 VAL ASN GLN SER GLY SER VAL ALA GLN PHE VAL PHE THR SEQRES 3 B 126 PRO SER PRO THR GLN PRO GLN THR TYR GLU VAL SER GLY SEQRES 4 B 126 ASN TYR ILE ASN ASN ALA GLN GLY THR GLY CYS LYS GLY SEQRES 5 B 126 THR PRO TYR PRO LEU SER GLY ALA TYR TYR SER GLY ASN SEQRES 6 B 126 GLN ILE ILE SER PHE SER VAL VAL TRP SER ASN ALA SER SEQRES 7 B 126 ALA ASN CYS GLN SER ALA THR GLY TRP THR GLY TYR PHE SEQRES 8 B 126 ASP PHE SER GLY SER GLN ALA VAL LEU LYS THR ASP TRP SEQRES 9 B 126 ASN LEU ALA PHE TYR SER GLY SER THR PRO ALA ILE GLN SEQRES 10 B 126 GLN GLY GLN ASP ASP PHE MET GLN SER HET VAL A 368 164 SSBOND 1 CYS A 57 CYS A 88 SSBOND 2 CYS B 57 CYS B 88 ATOM 1 N SER A 8 13.268 51.234 -6.319 1.00 53.83 N ATOM 2 CA SER A 8 11.869 50.998 -6.809 1.00 48.09 C ATOM 3 C SER A 8 11.549 49.497 -6.795 1.00 41.78 C ATOM 4 O SER A 8 12.389 48.667 -7.215 1.00 34.14 O ATOM 5 CB SER A 8 11.632 51.598 -8.210 1.00 53.27 C ATOM 6 OG SER A 8 11.674 50.609 -9.231 1.00 58.76 O ATOM 7 HG SER A 8 12.562 50.172 -9.229 1.00 0.00 H ATOM 8 HN3 SER A 8 13.939 50.736 -6.938 1.00 0.00 H ATOM 9 HN2 SER A 8 13.359 50.875 -5.347 1.00 0.00 H ATOM 10 HN1 SER A 8 13.472 52.254 -6.334 1.00 0.00 H ATOM 11 N PRO A 9 10.330 49.136 -6.341 1.00 45.94 N ATOM 12 CA PRO A 9 9.918 47.718 -6.202 1.00 40.11 C ATOM 13 C PRO A 9 10.071 46.864 -7.474 1.00 36.22 C ATOM 14 O PRO A 9 10.536 45.688 -7.372 1.00 30.47 O ATOM 15 CB PRO A 9 8.441 47.795 -5.772 1.00 42.55 C ATOM 16 CG PRO A 9 8.116 49.234 -5.556 1.00 45.23 C ATOM 17 CD PRO A 9 9.269 50.091 -5.950 1.00 45.00 C ATOM 18 N ASP A 10 9.686 47.434 -8.635 1.00 29.91 N ATOM 19 CA ASP A 10 9.900 46.781 -9.964 1.00 24.62 C ATOM 20 C ASP A 10 11.388 46.355 -10.201 1.00 24.68 C ATOM 21 O ASP A 10 11.652 45.235 -10.656 1.00 27.07 O ATOM 22 CB ASP A 10 9.343 47.670 -11.101 1.00 37.83 C ATOM 23 CG ASP A 10 9.900 47.309 -12.525 1.00 51.01 C ATOM 24 OD1 ASP A 10 10.204 46.126 -12.849 1.00 57.05 O ATOM 25 OD2 ASP A 10 9.988 48.244 -13.345 1.00 69.32 O ATOM 26 H ASP A 10 9.222 48.364 -8.605 1.00 0.00 H ATOM 27 N MET A 11 12.347 47.213 -9.864 1.00 20.12 N ATOM 28 CA MET A 11 13.767 46.908 -10.119 1.00 23.95 C ATOM 29 C MET A 11 14.365 45.945 -9.085 1.00 23.15 C ATOM 30 O MET A 11 15.239 45.137 -9.416 1.00 26.36 O ATOM 31 CB MET A 11 14.617 48.187 -10.239 1.00 28.02 C ATOM 32 CG MET A 11 14.399 49.006 -11.522 1.00 25.52 C ATOM 33 SD MET A 11 14.633 48.107 -13.093 1.00 31.60 S ATOM 34 CE MET A 11 16.265 47.412 -12.837 1.00 35.51 C ATOM 35 H MET A 11 12.091 48.114 -9.413 1.00 0.00 H ATOM 36 N LYS A 12 13.909 45.997 -7.841 1.00 22.79 N ATOM 37 CA LYS A 12 14.404 45.024 -6.847 1.00 24.05 C ATOM 38 C LYS A 12 14.013 43.617 -7.256 1.00 21.21 C ATOM 39 O LYS A 12 14.792 42.680 -7.079 1.00 24.53 O ATOM 40 CB LYS A 12 13.869 45.299 -5.444 1.00 24.57 C ATOM 41 CG LYS A 12 14.205 46.674 -4.941 1.00 31.12 C ATOM 42 CD LYS A 12 13.877 46.880 -3.467 1.00 35.57 C ATOM 43 CE LYS A 12 14.716 48.044 -2.933 1.00 46.28 C ATOM 44 NZ LYS A 12 14.077 48.770 -1.802 1.00 55.25 N ATOM 45 HZ1 LYS A 12 13.165 49.161 -2.114 1.00 0.00 H ATOM 46 HZ2 LYS A 12 13.921 48.111 -1.013 1.00 0.00 H ATOM 47 HZ3 LYS A 12 14.700 49.543 -1.492 1.00 0.00 H ATOM 48 H LYS A 12 13.209 46.716 -7.568 1.00 0.00 H ATOM 49 N LEU A 13 12.807 43.481 -7.820 1.00 19.75 N ATOM 50 CA LEU A 13 12.348 42.199 -8.358 1.00 19.98 C ATOM 51 C LEU A 13 13.312 41.682 -9.435 1.00 16.79 C ATOM 52 O LEU A 13 13.672 40.507 -9.421 1.00 17.95 O ATOM 53 CB LEU A 13 10.925 42.370 -8.903 1.00 19.82 C ATOM 54 CG LEU A 13 10.224 41.166 -9.472 1.00 22.59 C ATOM 55 CD1 LEU A 13 9.647 40.315 -8.371 1.00 24.82 C ATOM 56 CD2 LEU A 13 9.091 41.602 -10.383 1.00 27.85 C ATOM 57 H LEU A 13 12.179 44.308 -7.878 1.00 0.00 H ATOM 58 N LEU A 14 13.760 42.566 -10.338 1.00 17.42 N ATOM 59 CA LEU A 14 14.629 42.147 -11.448 1.00 18.26 C ATOM 60 C LEU A 14 16.022 41.778 -10.983 1.00 18.72 C ATOM 61 O LEU A 14 16.654 40.901 -11.567 1.00 25.36 O ATOM 62 CB LEU A 14 14.693 43.214 -12.572 1.00 14.75 C ATOM 63 CG LEU A 14 13.343 43.426 -13.292 1.00 21.94 C ATOM 64 CD1 LEU A 14 13.375 44.593 -14.248 1.00 24.26 C ATOM 65 CD2 LEU A 14 12.955 42.174 -14.048 1.00 18.39 C ATOM 66 H LEU A 14 13.488 43.566 -10.252 1.00 0.00 H ATOM 67 N ALA A 15 16.469 42.418 -9.905 1.00 19.85 N ATOM 68 CA ALA A 15 17.846 42.329 -9.428 1.00 23.17 C ATOM 69 C ALA A 15 18.100 41.092 -8.567 1.00 25.65 C ATOM 70 O ALA A 15 19.244 40.731 -8.317 1.00 39.47 O ATOM 71 CB ALA A 15 18.174 43.584 -8.610 1.00 26.22 C ATOM 72 H ALA A 15 15.802 43.013 -9.374 1.00 0.00 H ATOM 73 N GLY A 16 17.045 40.457 -8.097 1.00 22.88 N ATOM 74 CA GLY A 16 17.183 39.415 -7.101 1.00 26.48 C ATOM 75 C GLY A 16 16.424 38.126 -7.349 1.00 25.50 C ATOM 76 O GLY A 16 15.865 37.898 -8.407 1.00 24.48 O ATOM 77 H GLY A 16 16.098 40.708 -8.447 1.00 0.00 H ATOM 78 N ALA A 17 16.488 37.269 -6.335 1.00 22.96 N ATOM 79 CA ALA A 17 15.681 36.080 -6.221 1.00 21.04 C ATOM 80 C ALA A 17 14.691 36.332 -5.112 1.00 25.99 C ATOM 81 O ALA A 17 15.045 36.356 -3.959 1.00 51.45 O ATOM 82 CB ALA A 17 16.541 34.883 -5.881 1.00 21.81 C ATOM 83 H ALA A 17 17.166 37.470 -5.572 1.00 0.00 H ATOM 84 N SER A 18 13.444 36.501 -5.462 1.00 13.85 N ATOM 85 CA SER A 18 12.424 36.844 -4.491 1.00 14.55 C ATOM 86 C SER A 18 11.497 35.673 -4.305 1.00 13.34 C ATOM 87 O SER A 18 11.286 34.894 -5.231 1.00 13.43 O ATOM 88 CB SER A 18 11.631 38.048 -4.953 1.00 15.81 C ATOM 89 OG SER A 18 11.114 37.831 -6.241 1.00 16.74 O ATOM 90 HG SER A 18 11.860 37.675 -6.873 1.00 0.00 H ATOM 91 H SER A 18 13.177 36.387 -6.461 1.00 0.00 H ATOM 92 N ASN A 19 10.948 35.587 -3.101 1.00 15.31 N ATOM 93 CA ASN A 19 10.054 34.537 -2.705 1.00 13.66 C ATOM 94 C ASN A 19 8.645 35.058 -2.417 1.00 12.71 C ATOM 95 O ASN A 19 8.480 36.163 -1.852 1.00 13.56 O ATOM 96 CB ASN A 19 10.583 33.869 -1.444 1.00 13.42 C ATOM 97 CG ASN A 19 11.920 33.174 -1.658 1.00 20.50 C ATOM 98 OD1 ASN A 19 12.950 33.584 -1.124 1.00 32.56 O ATOM 99 ND2 ASN A 19 11.910 32.135 -2.406 1.00 21.53 N ATOM 100 HD22 ASN A 19 11.021 31.816 -2.842 1.00 0.00 H ATOM 101 HD21 ASN A 19 12.791 31.610 -2.578 1.00 0.00 H ATOM 102 H ASN A 19 11.179 36.323 -2.404 1.00 0.00 H ATOM 103 N TRP A 20 7.662 34.219 -2.780 1.00 11.87 N ATOM 104 CA TRP A 20 6.233 34.572 -2.809 1.00 11.49 C ATOM 105 C TRP A 20 5.411 33.390 -2.319 1.00 12.91 C ATOM 106 O TRP A 20 5.586 32.290 -2.836 1.00 14.08 O ATOM 107 CB TRP A 20 5.845 34.921 -4.252 1.00 14.73 C ATOM 108 CG TRP A 20 6.659 36.064 -4.793 1.00 12.29 C ATOM 109 CD1 TRP A 20 7.963 36.018 -5.237 1.00 13.10 C ATOM 110 CD2 TRP A 20 6.280 37.437 -4.838 1.00 12.25 C ATOM 111 NE1 TRP A 20 8.385 37.256 -5.578 1.00 13.45 N ATOM 112 CE2 TRP A 20 7.386 38.158 -5.337 1.00 13.15 C ATOM 113 CE3 TRP A 20 5.116 38.129 -4.534 1.00 12.90 C ATOM 114 CZ2 TRP A 20 7.348 39.558 -5.547 1.00 13.03 C ATOM 115 CZ3 TRP A 20 5.072 39.529 -4.757 1.00 11.85 C ATOM 116 CH2 TRP A 20 6.178 40.219 -5.218 1.00 13.13 C ATOM 117 HE1 TRP A 20 9.323 37.486 -5.963 1.00 0.00 H ATOM 118 H TRP A 20 7.928 33.253 -3.060 1.00 0.00 H ATOM 119 N VAL A 21 4.579 33.595 -1.297 1.00 13.01 N ATOM 120 CA VAL A 21 3.800 32.530 -0.671 1.00 10.43 C ATOM 121 C VAL A 21 2.314 32.690 -1.042 1.00 10.82 C ATOM 122 O VAL A 21 1.735 33.773 -0.861 1.00 13.72 O ATOM 123 CB VAL A 21 3.976 32.558 0.892 1.00 12.77 C ATOM 124 CG1 VAL A 21 3.133 31.479 1.549 1.00 14.52 C ATOM 125 CG2 VAL A 21 5.430 32.404 1.298 1.00 14.49 C ATOM 126 H VAL A 21 4.480 34.562 -0.927 1.00 0.00 H ATOM 127 N ASN A 22 1.681 31.626 -1.545 1.00 10.83 N ATOM 128 CA ASN A 22 0.271 31.698 -1.871 1.00 10.85 C ATOM 129 C ASN A 22 -0.613 31.204 -0.762 1.00 10.70 C ATOM 130 O ASN A 22 -0.126 30.822 0.302 1.00 14.16 O ATOM 131 CB ASN A 22 -0.069 31.034 -3.218 1.00 12.97 C ATOM 132 CG ASN A 22 0.023 29.522 -3.210 1.00 13.37 C ATOM 133 OD1 ASN A 22 -0.032 28.877 -2.169 1.00 14.44 O ATOM 134 ND2 ASN A 22 0.164 28.926 -4.422 1.00 16.24 N ATOM 135 HD22 ASN A 22 0.207 29.505 -5.285 1.00 0.00 H ATOM 136 HD21 ASN A 22 0.229 27.890 -4.488 1.00 0.00 H ATOM 137 H ASN A 22 2.204 30.741 -1.703 1.00 0.00 H ATOM 138 N GLN A 23 -1.931 31.313 -0.982 1.00 11.56 N ATOM 139 CA GLN A 23 -2.924 31.032 0.031 1.00 13.38 C ATOM 140 C GLN A 23 -2.942 29.551 0.532 1.00 13.54 C ATOM 141 O GLN A 23 -3.585 29.250 1.549 1.00 14.59 O ATOM 142 CB GLN A 23 -4.313 31.425 -0.504 1.00 14.49 C ATOM 143 CG GLN A 23 -4.913 30.468 -1.546 1.00 16.22 C ATOM 144 CD GLN A 23 -4.228 30.535 -2.912 1.00 16.66 C ATOM 145 OE1 GLN A 23 -3.749 31.570 -3.309 1.00 16.02 O ATOM 146 NE2 GLN A 23 -4.144 29.392 -3.590 1.00 28.37 N ATOM 147 HE22 GLN A 23 -4.573 28.526 -3.205 1.00 0.00 H ATOM 148 HE21 GLN A 23 -3.649 29.365 -4.504 1.00 0.00 H ATOM 149 H GLN A 23 -2.254 31.613 -1.924 1.00 0.00 H ATOM 150 N SER A 24 -2.317 28.648 -0.244 1.00 13.27 N ATOM 151 CA SER A 24 -2.089 27.244 0.129 1.00 14.67 C ATOM 152 C SER A 24 -0.826 26.983 0.916 1.00 14.60 C ATOM 153 O SER A 24 -0.591 25.839 1.371 1.00 19.81 O ATOM 154 CB SER A 24 -2.030 26.341 -1.123 1.00 20.84 C ATOM 155 OG SER A 24 -3.216 26.474 -1.893 1.00 28.22 O ATOM 156 HG SER A 24 -3.159 25.888 -2.689 1.00 0.00 H ATOM 157 H SER A 24 -1.971 28.965 -1.172 1.00 0.00 H ATOM 158 N GLY A 25 -0.007 28.019 1.058 1.00 15.27 N ATOM 159 CA GLY A 25 1.294 27.891 1.681 1.00 14.70 C ATOM 160 C GLY A 25 2.389 27.464 0.744 1.00 13.83 C ATOM 161 O GLY A 25 3.506 27.215 1.193 1.00 13.51 O ATOM 162 H GLY A 25 -0.310 28.951 0.711 1.00 0.00 H ATOM 163 N SER A 26 2.075 27.363 -0.563 1.00 12.14 N ATOM 164 CA SER A 26 3.086 27.052 -1.574 1.00 10.77 C ATOM 165 C SER A 26 3.949 28.280 -1.835 1.00 10.26 C ATOM 166 O SER A 26 3.506 29.436 -1.612 1.00 12.53 O ATOM 167 CB SER A 26 2.408 26.611 -2.855 1.00 11.26 C ATOM 168 OG SER A 26 1.616 25.450 -2.653 1.00 13.69 O ATOM 169 HG SER A 26 1.189 25.190 -3.508 1.00 0.00 H ATOM 170 H SER A 26 1.089 27.510 -0.860 1.00 0.00 H ATOM 171 N VAL A 27 5.173 28.050 -2.291 1.00 10.49 N ATOM 172 CA VAL A 27 6.166 29.135 -2.456 1.00 11.92 C ATOM 173 C VAL A 27 6.805 29.137 -3.842 1.00 12.53 C ATOM 174 O VAL A 27 7.344 28.100 -4.288 1.00 12.31 O ATOM 175 CB VAL A 27 7.281 29.018 -1.386 1.00 14.58 C ATOM 176 CG1 VAL A 27 8.186 30.243 -1.373 1.00 15.92 C ATOM 177 CG2 VAL A 27 6.677 28.777 -0.004 1.00 17.04 C ATOM 178 H VAL A 27 5.443 27.077 -2.540 1.00 0.00 H ATOM 179 N ALA A 28 6.735 30.298 -4.524 1.00 11.48 N ATOM 180 CA ALA A 28 7.450 30.519 -5.786 1.00 12.59 C ATOM 181 C ALA A 28 8.652 31.399 -5.510 1.00 11.83 C ATOM 182 O ALA A 28 8.567 32.390 -4.757 1.00 14.08 O ATOM 183 CB ALA A 28 6.542 31.183 -6.831 1.00 14.04 C ATOM 184 H ALA A 28 6.151 31.068 -4.140 1.00 0.00 H ATOM 185 N GLN A 29 9.781 31.038 -6.117 1.00 13.27 N ATOM 186 CA GLN A 29 11.003 31.845 -6.090 1.00 13.52 C ATOM 187 C GLN A 29 11.345 32.181 -7.549 1.00 11.32 C ATOM 188 O GLN A 29 11.470 31.280 -8.366 1.00 12.34 O ATOM 189 CB GLN A 29 12.161 31.084 -5.492 1.00 15.41 C ATOM 190 CG GLN A 29 13.400 31.939 -5.423 1.00 17.96 C ATOM 191 CD GLN A 29 14.456 31.333 -4.580 1.00 24.00 C ATOM 192 OE1 GLN A 29 14.974 30.305 -4.898 1.00 29.08 O ATOM 193 NE2 GLN A 29 14.801 31.979 -3.522 1.00 32.73 N ATOM 194 HE22 GLN A 29 14.325 32.871 -3.279 1.00 0.00 H ATOM 195 HE21 GLN A 29 15.556 31.609 -2.910 1.00 0.00 H ATOM 196 H GLN A 29 9.796 30.137 -6.637 1.00 0.00 H ATOM 197 N PHE A 30 11.430 33.466 -7.867 1.00 12.23 N ATOM 198 CA PHE A 30 11.634 33.929 -9.237 1.00 12.84 C ATOM 199 C PHE A 30 12.995 34.568 -9.436 1.00 11.74 C ATOM 200 O PHE A 30 13.439 35.333 -8.592 1.00 12.27 O ATOM 201 CB PHE A 30 10.623 35.016 -9.582 1.00 11.41 C ATOM 202 CG PHE A 30 9.200 34.575 -9.508 1.00 11.80 C ATOM 203 CD1 PHE A 30 8.716 33.575 -10.326 1.00 11.97 C ATOM 204 CD2 PHE A 30 8.356 35.151 -8.625 1.00 11.58 C ATOM 205 CE1 PHE A 30 7.390 33.192 -10.265 1.00 10.93 C ATOM 206 CE2 PHE A 30 7.017 34.806 -8.577 1.00 11.40 C ATOM 207 CZ PHE A 30 6.540 33.804 -9.394 1.00 10.41 C ATOM 208 H PHE A 30 11.348 34.173 -7.109 1.00 0.00 H ATOM 209 N VAL A 31 13.622 34.251 -10.568 1.00 12.28 N ATOM 210 CA VAL A 31 14.845 34.896 -11.047 1.00 12.02 C ATOM 211 C VAL A 31 14.534 35.365 -12.480 1.00 11.28 C ATOM 212 O VAL A 31 13.887 34.641 -13.228 1.00 12.43 O ATOM 213 CB VAL A 31 16.033 33.889 -10.987 1.00 14.09 C ATOM 214 CG1 VAL A 31 17.283 34.408 -11.692 1.00 16.25 C ATOM 215 CG2 VAL A 31 16.365 33.550 -9.535 1.00 17.04 C ATOM 216 H VAL A 31 13.214 33.493 -11.151 1.00 0.00 H ATOM 217 N PHE A 32 15.030 36.548 -12.837 1.00 10.86 N ATOM 218 CA PHE A 32 14.722 37.185 -14.123 1.00 11.00 C ATOM 219 C PHE A 32 15.995 37.471 -14.891 1.00 13.20 C ATOM 220 O PHE A 32 16.920 38.014 -14.313 1.00 16.54 O ATOM 221 CB PHE A 32 13.949 38.472 -13.883 1.00 12.57 C ATOM 222 CG PHE A 32 12.656 38.275 -13.165 1.00 12.47 C ATOM 223 CD1 PHE A 32 11.495 37.974 -13.855 1.00 12.74 C ATOM 224 CD2 PHE A 32 12.598 38.351 -11.776 1.00 13.69 C ATOM 225 CE1 PHE A 32 10.298 37.792 -13.201 1.00 13.23 C ATOM 226 CE2 PHE A 32 11.398 38.151 -11.120 1.00 14.90 C ATOM 227 CZ PHE A 32 10.244 37.883 -11.824 1.00 12.64 C ATOM 228 H PHE A 32 15.663 37.042 -12.176 1.00 0.00 H ATOM 229 N THR A 33 16.014 37.099 -16.187 1.00 11.38 N ATOM 230 CA THR A 33 17.164 37.257 -17.062 1.00 15.18 C ATOM 231 C THR A 33 16.693 37.983 -18.332 1.00 12.46 C ATOM 232 O THR A 33 15.680 37.614 -18.918 1.00 13.70 O ATOM 233 CB THR A 33 17.788 35.886 -17.451 1.00 16.33 C ATOM 234 OG1 THR A 33 18.140 35.167 -16.265 1.00 20.01 O ATOM 235 CG2 THR A 33 19.055 36.072 -18.309 1.00 19.68 C ATOM 236 HG1 THR A 33 17.328 35.017 -15.718 1.00 0.00 H ATOM 237 H THR A 33 15.153 36.673 -16.585 1.00 0.00 H ATOM 238 N PRO A 34 17.380 39.059 -18.728 1.00 12.43 N ATOM 239 CA PRO A 34 16.808 39.773 -19.879 1.00 12.38 C ATOM 240 C PRO A 34 16.718 38.925 -21.154 1.00 12.70 C ATOM 241 O PRO A 34 17.661 38.194 -21.482 1.00 12.51 O ATOM 242 CB PRO A 34 17.815 40.895 -20.149 1.00 16.73 C ATOM 243 CG PRO A 34 18.504 41.089 -18.869 1.00 20.80 C ATOM 244 CD PRO A 34 18.496 39.792 -18.123 1.00 15.69 C ATOM 245 N SER A 35 15.612 39.069 -21.876 1.00 11.75 N ATOM 246 CA SER A 35 15.465 38.398 -23.157 1.00 12.58 C ATOM 247 C SER A 35 16.477 38.951 -24.162 1.00 11.20 C ATOM 248 O SER A 35 16.647 40.166 -24.241 1.00 14.02 O ATOM 249 CB SER A 35 14.085 38.636 -23.726 1.00 12.21 C ATOM 250 OG SER A 35 14.003 38.122 -25.055 1.00 14.37 O ATOM 251 HG SER A 35 14.185 37.149 -25.043 1.00 0.00 H ATOM 252 H SER A 35 14.841 39.670 -21.520 1.00 0.00 H ATOM 253 N PRO A 36 17.102 38.083 -24.959 1.00 13.17 N ATOM 254 CA PRO A 36 17.993 38.635 -25.994 1.00 13.89 C ATOM 255 C PRO A 36 17.277 39.250 -27.207 1.00 13.12 C ATOM 256 O PRO A 36 17.932 39.934 -27.992 1.00 15.83 O ATOM 257 CB PRO A 36 18.827 37.433 -26.401 1.00 17.13 C ATOM 258 CG PRO A 36 17.888 36.285 -26.230 1.00 20.03 C ATOM 259 CD PRO A 36 17.135 36.607 -24.948 1.00 16.15 C ATOM 260 N THR A 37 15.956 39.073 -27.317 1.00 13.05 N ATOM 261 CA THR A 37 15.200 39.601 -28.470 1.00 14.77 C ATOM 262 C THR A 37 13.994 40.477 -28.164 1.00 14.20 C ATOM 263 O THR A 37 13.642 41.311 -28.981 1.00 22.76 O ATOM 264 CB THR A 37 14.775 38.495 -29.453 1.00 17.04 C ATOM 265 OG1 THR A 37 13.747 37.694 -28.877 1.00 23.04 O ATOM 266 CG2 THR A 37 15.957 37.603 -29.811 1.00 22.68 C ATOM 267 HG1 THR A 37 14.083 37.277 -28.044 1.00 0.00 H ATOM 268 H THR A 37 15.450 38.551 -26.573 1.00 0.00 H ATOM 269 N GLN A 38 13.391 40.305 -27.001 1.00 12.69 N ATOM 270 CA GLN A 38 12.149 40.964 -26.676 1.00 11.99 C ATOM 271 C GLN A 38 12.432 42.121 -25.736 1.00 12.93 C ATOM 272 O GLN A 38 12.901 41.901 -24.601 1.00 13.31 O ATOM 273 CB GLN A 38 11.191 39.987 -26.016 1.00 12.84 C ATOM 274 CG GLN A 38 10.807 38.829 -26.924 1.00 11.16 C ATOM 275 CD GLN A 38 9.685 38.038 -26.327 1.00 11.45 C ATOM 276 OE1 GLN A 38 9.909 37.016 -25.687 1.00 13.73 O ATOM 277 NE2 GLN A 38 8.473 38.512 -26.521 1.00 14.47 N ATOM 278 HE22 GLN A 38 8.338 39.384 -27.072 1.00 0.00 H ATOM 279 HE21 GLN A 38 7.650 38.015 -26.123 1.00 0.00 H ATOM 280 H GLN A 38 13.825 39.674 -26.297 1.00 0.00 H ATOM 281 N PRO A 39 12.169 43.354 -26.192 1.00 13.20 N ATOM 282 CA PRO A 39 12.380 44.458 -25.274 1.00 12.25 C ATOM 283 C PRO A 39 11.530 44.386 -24.015 1.00 13.87 C ATOM 284 O PRO A 39 10.384 43.934 -24.090 1.00 15.09 O ATOM 285 CB PRO A 39 11.947 45.700 -26.101 1.00 16.06 C ATOM 286 CG PRO A 39 12.051 45.299 -27.519 1.00 17.38 C ATOM 287 CD PRO A 39 11.774 43.811 -27.543 1.00 13.64 C ATOM 288 N GLN A 40 12.087 44.835 -22.878 1.00 13.15 N ATOM 289 CA GLN A 40 11.328 44.927 -21.586 1.00 14.79 C ATOM 290 C GLN A 40 10.787 43.604 -21.149 1.00 14.24 C ATOM 291 O GLN A 40 9.779 43.529 -20.458 1.00 18.21 O ATOM 292 CB GLN A 40 10.140 45.881 -21.677 1.00 14.72 C ATOM 293 CG GLN A 40 10.505 47.243 -22.188 1.00 12.74 C ATOM 294 CD GLN A 40 9.330 48.177 -22.267 1.00 13.85 C ATOM 295 OE1 GLN A 40 8.906 48.639 -23.372 1.00 22.34 O ATOM 296 NE2 GLN A 40 8.801 48.473 -21.146 1.00 12.91 N ATOM 297 HE22 GLN A 40 9.184 48.069 -20.267 1.00 0.00 H ATOM 298 HE21 GLN A 40 7.986 49.118 -21.110 1.00 0.00 H ATOM 299 H GLN A 40 13.084 45.131 -22.893 1.00 0.00 H ATOM 300 N THR A 41 11.437 42.545 -21.583 1.00 11.69 N ATOM 301 CA THR A 41 10.960 41.187 -21.370 1.00 10.67 C ATOM 302 C THR A 41 12.116 40.387 -20.762 1.00 10.76 C ATOM 303 O THR A 41 13.330 40.600 -21.105 1.00 10.57 O ATOM 304 CB THR A 41 10.478 40.543 -22.700 1.00 11.23 C ATOM 305 OG1 THR A 41 9.458 41.351 -23.292 1.00 14.30 O ATOM 306 CG2 THR A 41 9.915 39.151 -22.499 1.00 12.66 C ATOM 307 HG1 THR A 41 9.820 42.253 -23.478 1.00 0.00 H ATOM 308 H THR A 41 12.329 42.685 -22.100 1.00 0.00 H ATOM 309 N TYR A 42 11.726 39.461 -19.861 1.00 10.06 N ATOM 310 CA TYR A 42 12.657 38.676 -19.074 1.00 11.31 C ATOM 311 C TYR A 42 12.253 37.216 -19.113 1.00 11.14 C ATOM 312 O TYR A 42 11.089 36.902 -19.043 1.00 12.64 O ATOM 313 CB TYR A 42 12.689 39.170 -17.604 1.00 11.26 C ATOM 314 CG TYR A 42 13.346 40.518 -17.497 1.00 12.03 C ATOM 315 CD1 TYR A 42 12.645 41.655 -17.857 1.00 12.61 C ATOM 316 CD2 TYR A 42 14.699 40.656 -17.089 1.00 13.97 C ATOM 317 CE1 TYR A 42 13.247 42.903 -17.837 1.00 14.51 C ATOM 318 CE2 TYR A 42 15.309 41.909 -17.032 1.00 13.72 C ATOM 319 CZ TYR A 42 14.587 43.026 -17.440 1.00 11.83 C ATOM 320 OH TYR A 42 15.119 44.293 -17.431 1.00 15.13 O ATOM 321 HH TYR A 42 14.441 44.937 -17.757 1.00 0.00 H ATOM 322 H TYR A 42 10.707 39.303 -19.724 1.00 0.00 H ATOM 323 N GLU A 43 13.245 36.348 -19.252 1.00 11.71 N ATOM 324 CA GLU A 43 13.104 34.899 -19.072 1.00 12.00 C ATOM 325 C GLU A 43 12.958 34.695 -17.544 1.00 10.96 C ATOM 326 O GLU A 43 13.758 35.221 -16.769 1.00 14.74 O ATOM 327 CB GLU A 43 14.335 34.190 -19.671 1.00 15.92 C ATOM 328 CG GLU A 43 14.399 34.482 -21.177 1.00 23.77 C ATOM 329 CD GLU A 43 15.723 34.307 -21.918 1.00 36.55 C ATOM 330 OE1 GLU A 43 16.852 34.449 -21.362 1.00 44.21 O ATOM 331 OE2 GLU A 43 15.599 34.089 -23.142 1.00 34.30 O ATOM 332 H GLU A 43 14.184 36.718 -19.505 1.00 0.00 H ATOM 333 N VAL A 44 11.925 33.955 -17.147 1.00 12.58 N ATOM 334 CA VAL A 44 11.674 33.577 -15.747 1.00 11.49 C ATOM 335 C VAL A 44 12.268 32.199 -15.489 1.00 11.31 C ATOM 336 O VAL A 44 11.976 31.221 -16.230 1.00 15.11 O ATOM 337 CB VAL A 44 10.163 33.580 -15.444 1.00 14.60 C ATOM 338 CG1 VAL A 44 9.905 33.297 -13.971 1.00 14.20 C ATOM 339 CG2 VAL A 44 9.530 34.940 -15.748 1.00 15.53 C ATOM 340 H VAL A 44 11.255 33.624 -17.870 1.00 0.00 H ATOM 341 N SER A 45 13.100 32.133 -14.446 1.00 11.39 N ATOM 342 CA SER A 45 13.579 30.874 -13.912 1.00 12.09 C ATOM 343 C SER A 45 13.313 30.909 -12.409 1.00 13.14 C ATOM 344 O SER A 45 12.774 31.894 -11.879 1.00 12.30 O ATOM 345 CB SER A 45 15.064 30.651 -14.243 1.00 12.61 C ATOM 346 OG SER A 45 15.888 31.669 -13.709 1.00 15.16 O ATOM 347 HG SER A 45 15.616 32.543 -14.085 1.00 0.00 H ATOM 348 H SER A 45 13.416 33.018 -14.001 1.00 0.00 H ATOM 349 N GLY A 46 13.684 29.842 -11.726 1.00 12.85 N ATOM 350 CA GLY A 46 13.388 29.733 -10.323 1.00 12.99 C ATOM 351 C GLY A 46 12.796 28.380 -9.988 1.00 12.01 C ATOM 352 O GLY A 46 12.954 27.401 -10.742 1.00 11.35 O ATOM 353 H GLY A 46 14.195 29.074 -12.207 1.00 0.00 H ATOM 354 N ASN A 47 12.102 28.323 -8.854 1.00 12.11 N ATOM 355 CA ASN A 47 11.541 27.058 -8.406 1.00 11.93 C ATOM 356 C ASN A 47 10.255 27.281 -7.623 1.00 11.68 C ATOM 357 O ASN A 47 9.992 28.377 -7.116 1.00 12.58 O ATOM 358 CB ASN A 47 12.515 26.248 -7.543 1.00 14.63 C ATOM 359 CG ASN A 47 12.850 26.932 -6.252 1.00 19.88 C ATOM 360 OD1 ASN A 47 12.172 26.739 -5.245 1.00 21.61 O ATOM 361 ND2 ASN A 47 13.879 27.757 -6.269 1.00 22.99 N ATOM 362 HD22 ASN A 47 14.425 27.890 -7.144 1.00 0.00 H ATOM 363 HD21 ASN A 47 14.145 28.275 -5.407 1.00 0.00 H ATOM 364 H ASN A 47 11.961 29.184 -8.288 1.00 0.00 H ATOM 365 N TYR A 48 9.450 26.231 -7.590 1.00 11.06 N ATOM 366 CA TYR A 48 8.178 26.220 -6.922 1.00 10.57 C ATOM 367 C TYR A 48 8.100 25.046 -5.958 1.00 11.46 C ATOM 368 O TYR A 48 8.440 23.908 -6.325 1.00 12.23 O ATOM 369 CB TYR A 48 7.074 26.143 -7.948 1.00 12.38 C ATOM 370 CG TYR A 48 5.666 26.330 -7.419 1.00 12.10 C ATOM 371 CD1 TYR A 48 4.985 25.283 -6.829 1.00 11.52 C ATOM 372 CD2 TYR A 48 5.020 27.561 -7.492 1.00 14.91 C ATOM 373 CE1 TYR A 48 3.692 25.426 -6.375 1.00 13.22 C ATOM 374 CE2 TYR A 48 3.709 27.711 -7.037 1.00 15.76 C ATOM 375 CZ TYR A 48 3.048 26.633 -6.482 1.00 15.26 C ATOM 376 OH TYR A 48 1.752 26.803 -6.016 1.00 17.47 O ATOM 377 HH TYR A 48 1.419 25.945 -5.651 1.00 0.00 H ATOM 378 H TYR A 48 9.756 25.364 -8.076 1.00 0.00 H ATOM 379 N ILE A 49 7.674 25.343 -4.717 1.00 12.41 N ATOM 380 CA ILE A 49 7.435 24.313 -3.716 1.00 11.50 C ATOM 381 C ILE A 49 5.950 24.261 -3.357 1.00 11.50 C ATOM 382 O ILE A 49 5.345 25.244 -2.913 1.00 12.67 O ATOM 383 CB ILE A 49 8.241 24.529 -2.446 1.00 12.40 C ATOM 384 CG1 ILE A 49 9.719 24.594 -2.736 1.00 15.49 C ATOM 385 CG2 ILE A 49 7.904 23.441 -1.433 1.00 12.66 C ATOM 386 CD1 ILE A 49 10.512 25.067 -1.554 1.00 19.95 C ATOM 387 H ILE A 49 7.510 26.339 -4.465 1.00 0.00 H ATOM 388 N ASN A 50 5.368 23.123 -3.658 1.00 11.24 N ATOM 389 CA ASN A 50 3.962 22.877 -3.432 1.00 13.42 C ATOM 390 C ASN A 50 3.694 22.400 -2.008 1.00 14.58 C ATOM 391 O ASN A 50 4.200 21.353 -1.611 1.00 14.66 O ATOM 392 CB ASN A 50 3.481 21.820 -4.416 1.00 11.32 C ATOM 393 CG ASN A 50 2.062 21.400 -4.161 1.00 13.69 C ATOM 394 OD1 ASN A 50 1.169 22.228 -3.801 1.00 15.75 O ATOM 395 ND2 ASN A 50 1.817 20.099 -4.348 1.00 12.77 N ATOM 396 HD22 ASN A 50 2.585 19.463 -4.643 1.00 0.00 H ATOM 397 HD21 ASN A 50 0.859 19.723 -4.198 1.00 0.00 H ATOM 398 H ASN A 50 5.944 22.366 -4.077 1.00 0.00 H ATOM 399 N ASN A 51 2.882 23.156 -1.272 1.00 15.43 N ATOM 400 CA ASN A 51 2.471 22.781 0.073 1.00 16.51 C ATOM 401 C ASN A 51 0.946 22.631 0.214 1.00 19.16 C ATOM 402 O ASN A 51 0.421 22.557 1.348 1.00 20.97 O ATOM 403 CB ASN A 51 3.027 23.781 1.090 1.00 18.21 C ATOM 404 CG ASN A 51 4.578 23.759 1.212 1.00 19.57 C ATOM 405 OD1 ASN A 51 5.214 22.689 1.322 1.00 22.03 O ATOM 406 ND2 ASN A 51 5.193 24.965 1.220 1.00 19.08 N ATOM 407 HD22 ASN A 51 4.632 25.836 1.126 1.00 0.00 H ATOM 408 HD21 ASN A 51 6.227 25.021 1.320 1.00 0.00 H ATOM 409 H ASN A 51 2.528 24.048 -1.673 1.00 0.00 H ATOM 410 N ALA A 52 0.248 22.528 -0.927 1.00 20.05 N ATOM 411 CA ALA A 52 -1.210 22.463 -0.948 1.00 22.77 C ATOM 412 C ALA A 52 -1.751 21.142 -0.406 1.00 22.55 C ATOM 413 O ALA A 52 -1.322 20.061 -0.799 1.00 24.44 O ATOM 414 CB ALA A 52 -1.723 22.677 -2.366 1.00 24.58 C ATOM 415 H ALA A 52 0.764 22.493 -1.829 1.00 0.00 H ATOM 416 N GLN A 53 -2.750 21.239 0.455 1.00 28.60 N ATOM 417 CA GLN A 53 -3.378 20.056 1.015 1.00 25.24 C ATOM 418 C GLN A 53 -4.076 19.210 -0.041 1.00 25.59 C ATOM 419 O GLN A 53 -4.699 19.756 -0.970 1.00 26.40 O ATOM 420 CB GLN A 53 -4.420 20.480 2.020 1.00 28.98 C ATOM 421 CG GLN A 53 -3.886 21.358 3.123 1.00 35.53 C ATOM 422 CD GLN A 53 -5.018 21.903 3.936 1.00 25.20 C ATOM 423 OE1 GLN A 53 -5.315 23.115 3.913 1.00 37.05 O ATOM 424 NE2 GLN A 53 -5.683 21.030 4.602 1.00 42.13 N ATOM 425 HE22 GLN A 53 -5.392 20.032 4.587 1.00 0.00 H ATOM 426 HE21 GLN A 53 -6.513 21.321 5.157 1.00 0.00 H ATOM 427 H GLN A 53 -3.092 22.180 0.736 1.00 0.00 H ATOM 428 N GLY A 54 -3.965 17.887 0.110 1.00 26.70 N ATOM 429 CA GLY A 54 -4.680 16.924 -0.745 1.00 30.83 C ATOM 430 C GLY A 54 -4.025 16.655 -2.090 1.00 27.38 C ATOM 431 O GLY A 54 -4.573 15.961 -2.927 1.00 32.57 O ATOM 432 H GLY A 54 -3.348 17.522 0.863 1.00 0.00 H ATOM 433 N THR A 55 -2.845 17.213 -2.296 1.00 24.83 N ATOM 434 CA THR A 55 -2.174 17.147 -3.594 1.00 19.04 C ATOM 435 C THR A 55 -0.928 16.284 -3.530 1.00 21.39 C ATOM 436 O THR A 55 -0.411 16.011 -2.446 1.00 22.60 O ATOM 437 CB THR A 55 -1.774 18.550 -4.107 1.00 20.12 C ATOM 438 OG1 THR A 55 -0.740 19.105 -3.288 1.00 19.71 O ATOM 439 CG2 THR A 55 -2.984 19.467 -4.127 1.00 22.36 C ATOM 440 HG1 THR A 55 -1.065 19.183 -2.356 1.00 0.00 H ATOM 441 H THR A 55 -2.380 17.714 -1.512 1.00 0.00 H ATOM 442 N GLY A 56 -0.469 15.863 -4.711 1.00 20.07 N ATOM 443 CA GLY A 56 0.783 15.140 -4.865 1.00 16.53 C ATOM 444 C GLY A 56 1.934 16.112 -5.037 1.00 15.35 C ATOM 445 O GLY A 56 1.704 17.316 -5.146 1.00 17.15 O ATOM 446 H GLY A 56 -1.034 16.062 -5.561 1.00 0.00 H ATOM 447 N CYS A 57 3.166 15.585 -5.066 1.00 16.66 N ATOM 448 CA CYS A 57 4.363 16.354 -5.401 1.00 14.29 C ATOM 449 C CYS A 57 4.552 17.527 -4.450 1.00 14.76 C ATOM 450 O CYS A 57 4.769 18.643 -4.883 1.00 14.61 O ATOM 451 CB CYS A 57 4.301 16.836 -6.880 1.00 12.47 C ATOM 452 SG CYS A 57 4.527 15.470 -8.038 1.00 15.52 S ATOM 453 H CYS A 57 3.276 14.576 -4.838 1.00 0.00 H ATOM 454 N LYS A 58 4.405 17.265 -3.145 1.00 17.30 N ATOM 455 CA LYS A 58 4.546 18.298 -2.116 1.00 15.21 C ATOM 456 C LYS A 58 5.919 18.339 -1.490 1.00 14.32 C ATOM 457 O LYS A 58 6.582 17.319 -1.380 1.00 17.59 O ATOM 458 CB LYS A 58 3.546 18.085 -0.951 1.00 18.03 C ATOM 459 CG LYS A 58 2.073 18.170 -1.324 1.00 20.12 C ATOM 460 CD LYS A 58 1.157 17.783 -0.165 1.00 23.50 C ATOM 461 CE LYS A 58 1.242 18.816 0.934 1.00 27.88 C ATOM 462 NZ LYS A 58 0.528 18.317 2.123 1.00 29.69 N ATOM 463 HZ1 LYS A 58 -0.469 18.145 1.881 1.00 0.00 H ATOM 464 HZ2 LYS A 58 0.966 17.430 2.442 1.00 0.00 H ATOM 465 HZ3 LYS A 58 0.584 19.025 2.882 1.00 0.00 H ATOM 466 H LYS A 58 4.183 16.292 -2.851 1.00 0.00 H ATOM 467 N GLY A 59 6.332 19.548 -1.106 1.00 14.74 N ATOM 468 CA GLY A 59 7.448 19.735 -0.222 1.00 17.08 C ATOM 469 C GLY A 59 8.815 19.672 -0.862 1.00 16.23 C ATOM 470 O GLY A 59 9.810 19.646 -0.145 1.00 19.64 O ATOM 471 H GLY A 59 5.827 20.386 -1.460 1.00 0.00 H ATOM 472 N THR A 60 8.883 19.679 -2.205 1.00 14.43 N ATOM 473 CA THR A 60 10.202 19.679 -2.895 1.00 14.63 C ATOM 474 C THR A 60 10.190 20.648 -4.067 1.00 13.79 C ATOM 475 O THR A 60 9.145 20.854 -4.676 1.00 16.99 O ATOM 476 CB THR A 60 10.653 18.280 -3.411 1.00 14.86 C ATOM 477 OG1 THR A 60 9.848 17.868 -4.519 1.00 16.01 O ATOM 478 CG2 THR A 60 10.602 17.218 -2.292 1.00 19.11 C ATOM 479 HG1 THR A 60 8.901 17.816 -4.236 1.00 0.00 H ATOM 480 H THR A 60 8.007 19.684 -2.766 1.00 0.00 H ATOM 481 N PRO A 61 11.354 21.253 -4.389 1.00 17.39 N ATOM 482 CA PRO A 61 11.351 22.266 -5.451 1.00 14.83 C ATOM 483 C PRO A 61 11.219 21.685 -6.855 1.00 14.72 C ATOM 484 O PRO A 61 11.931 20.742 -7.220 1.00 15.36 O ATOM 485 CB PRO A 61 12.723 22.949 -5.335 1.00 18.50 C ATOM 486 CG PRO A 61 13.392 22.336 -4.173 1.00 23.86 C ATOM 487 CD PRO A 61 12.646 21.172 -3.684 1.00 18.96 C ATOM 488 N TYR A 62 10.342 22.301 -7.631 1.00 12.87 N ATOM 489 CA TYR A 62 10.227 22.066 -9.071 1.00 11.45 C ATOM 490 C TYR A 62 10.671 23.283 -9.829 1.00 10.84 C ATOM 491 O TYR A 62 10.274 24.399 -9.501 1.00 14.26 O ATOM 492 CB TYR A 62 8.788 21.677 -9.468 1.00 12.41 C ATOM 493 CG TYR A 62 8.406 20.351 -8.958 1.00 10.64 C ATOM 494 CD1 TYR A 62 7.992 20.196 -7.640 1.00 11.03 C ATOM 495 CD2 TYR A 62 8.567 19.191 -9.734 1.00 12.52 C ATOM 496 CE1 TYR A 62 7.700 18.958 -7.138 1.00 13.30 C ATOM 497 CE2 TYR A 62 8.246 17.953 -9.227 1.00 12.12 C ATOM 498 CZ TYR A 62 7.851 17.829 -7.908 1.00 14.15 C ATOM 499 OH TYR A 62 7.547 16.569 -7.386 1.00 17.43 O ATOM 500 HH TYR A 62 8.343 15.984 -7.455 1.00 0.00 H ATOM 501 H TYR A 62 9.698 22.991 -7.193 1.00 0.00 H ATOM 502 N PRO A 63 11.481 23.098 -10.888 1.00 12.88 N ATOM 503 CA PRO A 63 11.827 24.266 -11.682 1.00 12.65 C ATOM 504 C PRO A 63 10.634 24.926 -12.314 1.00 13.43 C ATOM 505 O PRO A 63 9.664 24.251 -12.618 1.00 15.61 O ATOM 506 CB PRO A 63 12.731 23.692 -12.792 1.00 12.33 C ATOM 507 CG PRO A 63 13.291 22.484 -12.174 1.00 13.45 C ATOM 508 CD PRO A 63 12.182 21.904 -11.356 1.00 11.36 C ATOM 509 N LEU A 64 10.703 26.250 -12.457 1.00 11.97 N ATOM 510 CA LEU A 64 9.713 26.950 -13.221 1.00 15.13 C ATOM 511 C LEU A 64 10.380 27.675 -14.394 1.00 15.12 C ATOM 512 O LEU A 64 11.589 27.914 -14.404 1.00 19.34 O ATOM 513 CB LEU A 64 8.837 27.822 -12.324 1.00 17.44 C ATOM 514 CG LEU A 64 9.508 28.905 -11.505 1.00 17.08 C ATOM 515 CD1 LEU A 64 9.773 30.087 -12.398 1.00 19.16 C ATOM 516 CD2 LEU A 64 8.635 29.334 -10.346 1.00 23.65 C ATOM 517 H LEU A 64 11.480 26.778 -12.011 1.00 0.00 H ATOM 518 N SER A 65 9.572 27.981 -15.402 1.00 10.95 N ATOM 519 CA SER A 65 10.014 28.664 -16.579 1.00 13.98 C ATOM 520 C SER A 65 8.871 29.529 -17.092 1.00 13.34 C ATOM 521 O SER A 65 7.755 29.301 -16.769 1.00 15.22 O ATOM 522 CB SER A 65 10.453 27.664 -17.631 1.00 19.46 C ATOM 523 OG SER A 65 9.373 26.891 -18.030 1.00 24.78 O ATOM 524 HG SER A 65 9.010 26.404 -17.248 1.00 0.00 H ATOM 525 H SER A 65 8.570 27.711 -15.333 1.00 0.00 H ATOM 526 N GLY A 66 9.185 30.534 -17.874 1.00 17.28 N ATOM 527 CA GLY A 66 8.189 31.393 -18.449 1.00 13.10 C ATOM 528 C GLY A 66 8.804 32.741 -18.795 1.00 10.71 C ATOM 529 O GLY A 66 10.031 32.873 -19.036 1.00 9.94 O ATOM 530 H GLY A 66 10.187 30.714 -18.084 1.00 0.00 H ATOM 531 N ALA A 67 7.965 33.756 -18.790 1.00 10.93 N ATOM 532 CA ALA A 67 8.354 35.066 -19.307 1.00 8.19 C ATOM 533 C ALA A 67 7.662 36.165 -18.520 1.00 8.77 C ATOM 534 O ALA A 67 6.541 36.006 -18.047 1.00 9.03 O ATOM 535 CB ALA A 67 7.984 35.184 -20.793 1.00 10.76 C ATOM 536 H ALA A 67 7.006 33.622 -18.410 1.00 0.00 H ATOM 537 N TYR A 68 8.319 37.311 -18.456 1.00 9.22 N ATOM 538 CA TYR A 68 7.853 38.457 -17.669 1.00 7.82 C ATOM 539 C TYR A 68 8.039 39.743 -18.482 1.00 8.76 C ATOM 540 O TYR A 68 9.076 39.943 -19.120 1.00 10.55 O ATOM 541 CB TYR A 68 8.721 38.533 -16.384 1.00 9.65 C ATOM 542 CG TYR A 68 8.529 39.776 -15.551 1.00 9.64 C ATOM 543 CD1 TYR A 68 7.396 39.918 -14.759 1.00 9.95 C ATOM 544 CD2 TYR A 68 9.478 40.791 -15.537 1.00 12.45 C ATOM 545 CE1 TYR A 68 7.201 41.050 -13.983 1.00 11.39 C ATOM 546 CE2 TYR A 68 9.303 41.903 -14.765 1.00 13.03 C ATOM 547 CZ TYR A 68 8.154 42.034 -13.998 1.00 12.39 C ATOM 548 OH TYR A 68 8.005 43.166 -13.230 1.00 14.15 O ATOM 549 HH TYR A 68 7.145 43.121 -12.742 1.00 0.00 H ATOM 550 H TYR A 68 9.207 37.404 -18.989 1.00 0.00 H ATOM 551 N TYR A 69 7.039 40.602 -18.402 1.00 9.46 N ATOM 552 CA TYR A 69 7.028 41.890 -19.074 1.00 9.74 C ATOM 553 C TYR A 69 7.181 42.981 -18.026 1.00 9.84 C ATOM 554 O TYR A 69 6.288 43.177 -17.226 1.00 10.69 O ATOM 555 CB TYR A 69 5.707 42.036 -19.888 1.00 11.29 C ATOM 556 CG TYR A 69 5.659 43.349 -20.584 1.00 11.89 C ATOM 557 CD1 TYR A 69 6.609 43.675 -21.572 1.00 12.10 C ATOM 558 CD2 TYR A 69 4.744 44.309 -20.197 1.00 11.14 C ATOM 559 CE1 TYR A 69 6.603 44.923 -22.150 1.00 11.75 C ATOM 560 CE2 TYR A 69 4.712 45.575 -20.795 1.00 11.82 C ATOM 561 CZ TYR A 69 5.649 45.879 -21.764 1.00 13.74 C ATOM 562 OH TYR A 69 5.670 47.138 -22.340 1.00 16.70 O ATOM 563 HH TYR A 69 6.399 47.182 -23.008 1.00 0.00 H ATOM 564 H TYR A 69 6.213 40.342 -17.826 1.00 0.00 H ATOM 565 N SER A 70 8.329 43.655 -18.028 1.00 11.20 N ATOM 566 CA SER A 70 8.620 44.673 -17.028 1.00 11.07 C ATOM 567 C SER A 70 7.779 45.955 -17.150 1.00 12.30 C ATOM 568 O SER A 70 7.515 46.602 -16.148 1.00 16.26 O ATOM 569 CB SER A 70 10.093 44.985 -17.008 1.00 9.82 C ATOM 570 OG SER A 70 10.607 45.448 -18.234 1.00 13.26 O ATOM 571 HG SER A 70 10.139 46.281 -18.493 1.00 0.00 H ATOM 572 H SER A 70 9.036 43.449 -18.762 1.00 0.00 H ATOM 573 N GLY A 71 7.274 46.276 -18.352 1.00 12.06 N ATOM 574 CA GLY A 71 6.601 47.591 -18.549 1.00 14.38 C ATOM 575 C GLY A 71 5.440 47.819 -17.588 1.00 12.88 C ATOM 576 O GLY A 71 5.266 48.907 -17.071 1.00 14.35 O ATOM 577 H GLY A 71 7.352 45.608 -19.145 1.00 0.00 H ATOM 578 N ASN A 72 4.634 46.775 -17.384 1.00 12.59 N ATOM 579 CA ASN A 72 3.538 46.793 -16.421 1.00 11.48 C ATOM 580 C ASN A 72 3.482 45.561 -15.489 1.00 12.46 C ATOM 581 O ASN A 72 2.435 45.313 -14.877 1.00 14.65 O ATOM 582 CB ASN A 72 2.187 46.991 -17.134 1.00 13.55 C ATOM 583 CG ASN A 72 1.885 45.888 -18.115 1.00 13.67 C ATOM 584 OD1 ASN A 72 2.467 44.826 -18.037 1.00 14.01 O ATOM 585 ND2 ASN A 72 0.959 46.134 -19.040 1.00 14.76 N ATOM 586 HD22 ASN A 72 0.486 47.060 -19.069 1.00 0.00 H ATOM 587 HD21 ASN A 72 0.709 45.400 -19.734 1.00 0.00 H ATOM 588 H ASN A 72 4.794 45.909 -17.937 1.00 0.00 H ATOM 589 N GLN A 73 4.610 44.835 -15.365 1.00 10.02 N ATOM 590 CA GLN A 73 4.816 43.800 -14.343 1.00 10.14 C ATOM 591 C GLN A 73 3.795 42.662 -14.462 1.00 10.74 C ATOM 592 O GLN A 73 3.122 42.269 -13.495 1.00 10.08 O ATOM 593 CB GLN A 73 4.842 44.425 -12.925 1.00 11.99 C ATOM 594 CG GLN A 73 5.878 45.543 -12.761 1.00 15.10 C ATOM 595 CD GLN A 73 5.335 46.925 -13.087 1.00 18.05 C ATOM 596 OE1 GLN A 73 4.291 47.292 -12.617 1.00 27.19 O ATOM 597 NE2 GLN A 73 6.043 47.681 -13.923 1.00 19.16 N ATOM 598 HE22 GLN A 73 6.942 47.328 -14.309 1.00 0.00 H ATOM 599 HE21 GLN A 73 5.697 48.625 -14.190 1.00 0.00 H ATOM 600 H GLN A 73 5.384 45.019 -16.035 1.00 0.00 H ATOM 601 N ILE A 74 3.711 42.109 -15.669 1.00 10.41 N ATOM 602 CA ILE A 74 2.875 40.953 -15.978 1.00 10.44 C ATOM 603 C ILE A 74 3.795 39.739 -16.202 1.00 10.09 C ATOM 604 O ILE A 74 4.894 39.862 -16.758 1.00 10.75 O ATOM 605 CB ILE A 74 2.014 41.304 -17.201 1.00 11.47 C ATOM 606 CG1 ILE A 74 0.849 42.178 -16.750 1.00 11.69 C ATOM 607 CG2 ILE A 74 1.533 40.067 -17.924 1.00 12.10 C ATOM 608 CD1 ILE A 74 -0.010 42.736 -17.890 1.00 11.69 C ATOM 609 H ILE A 74 4.274 42.525 -16.438 1.00 0.00 H ATOM 610 N ILE A 75 3.345 38.582 -15.716 1.00 8.55 N ATOM 611 CA ILE A 75 4.087 37.362 -15.725 1.00 8.17 C ATOM 612 C ILE A 75 3.255 36.182 -16.201 1.00 8.72 C ATOM 613 O ILE A 75 2.048 36.118 -15.972 1.00 10.21 O ATOM 614 CB ILE A 75 4.689 37.092 -14.322 1.00 7.74 C ATOM 615 CG1 ILE A 75 5.917 36.138 -14.397 1.00 9.99 C ATOM 616 CG2 ILE A 75 3.608 36.637 -13.359 1.00 8.81 C ATOM 617 CD1 ILE A 75 6.737 36.065 -13.118 1.00 10.37 C ATOM 618 H ILE A 75 2.391 38.567 -15.303 1.00 0.00 H ATOM 619 N SER A 76 3.920 35.219 -16.844 1.00 8.30 N ATOM 620 CA SER A 76 3.304 33.912 -17.131 1.00 8.70 C ATOM 621 C SER A 76 4.395 32.866 -16.991 1.00 9.04 C ATOM 622 O SER A 76 5.510 33.029 -17.545 1.00 10.08 O ATOM 623 CB SER A 76 2.610 33.923 -18.497 1.00 10.88 C ATOM 624 OG SER A 76 1.930 32.724 -18.769 1.00 11.52 O ATOM 625 HG SER A 76 2.574 31.972 -18.761 1.00 0.00 H ATOM 626 H SER A 76 4.898 35.396 -17.150 1.00 0.00 H ATOM 627 N PHE A 77 4.148 31.857 -16.161 1.00 9.85 N ATOM 628 CA PHE A 77 5.152 30.850 -15.858 1.00 10.50 C ATOM 629 C PHE A 77 4.517 29.489 -15.641 1.00 10.09 C ATOM 630 O PHE A 77 3.333 29.362 -15.361 1.00 9.19 O ATOM 631 CB PHE A 77 6.010 31.229 -14.641 1.00 10.45 C ATOM 632 CG PHE A 77 5.246 31.347 -13.348 1.00 10.06 C ATOM 633 CD1 PHE A 77 4.630 32.550 -13.012 1.00 10.21 C ATOM 634 CD2 PHE A 77 5.179 30.297 -12.463 1.00 10.54 C ATOM 635 CE1 PHE A 77 3.908 32.707 -11.844 1.00 10.23 C ATOM 636 CE2 PHE A 77 4.469 30.449 -11.265 1.00 9.88 C ATOM 637 CZ PHE A 77 3.837 31.640 -10.965 1.00 11.28 C ATOM 638 H PHE A 77 3.211 31.786 -15.716 1.00 0.00 H ATOM 639 N SER A 78 5.337 28.458 -15.780 1.00 8.83 N ATOM 640 CA SER A 78 4.873 27.081 -15.743 1.00 9.71 C ATOM 641 C SER A 78 5.748 26.145 -14.982 1.00 10.59 C ATOM 642 O SER A 78 6.951 26.358 -14.896 1.00 10.95 O ATOM 643 CB SER A 78 4.808 26.550 -17.193 1.00 10.75 C ATOM 644 OG SER A 78 3.873 27.292 -17.957 1.00 12.78 O ATOM 645 HG SER A 78 4.145 28.244 -17.976 1.00 0.00 H ATOM 646 H SER A 78 6.351 28.641 -15.921 1.00 0.00 H ATOM 647 N VAL A 79 5.149 25.061 -14.501 1.00 9.26 N ATOM 648 CA VAL A 79 5.852 23.961 -13.853 1.00 9.29 C ATOM 649 C VAL A 79 5.371 22.631 -14.436 1.00 9.31 C ATOM 650 O VAL A 79 4.171 22.399 -14.560 1.00 10.35 O ATOM 651 CB VAL A 79 5.596 23.951 -12.333 1.00 9.02 C ATOM 652 CG1 VAL A 79 6.028 22.601 -11.734 1.00 10.45 C ATOM 653 CG2 VAL A 79 6.299 25.110 -11.641 1.00 9.37 C ATOM 654 H VAL A 79 4.115 24.993 -14.592 1.00 0.00 H ATOM 655 N VAL A 80 6.311 21.788 -14.819 1.00 8.94 N ATOM 656 CA VAL A 80 6.048 20.395 -15.085 1.00 9.99 C ATOM 657 C VAL A 80 6.402 19.632 -13.798 1.00 10.89 C ATOM 658 O VAL A 80 7.505 19.774 -13.246 1.00 10.16 O ATOM 659 CB VAL A 80 6.862 19.870 -16.278 1.00 11.20 C ATOM 660 CG1 VAL A 80 6.883 18.335 -16.260 1.00 10.87 C ATOM 661 CG2 VAL A 80 6.249 20.373 -17.588 1.00 12.72 C ATOM 662 H VAL A 80 7.282 22.143 -14.934 1.00 0.00 H ATOM 663 N TRP A 81 5.465 18.820 -13.334 1.00 10.21 N ATOM 664 CA TRP A 81 5.585 18.197 -12.010 1.00 10.43 C ATOM 665 C TRP A 81 6.421 16.903 -12.056 1.00 11.76 C ATOM 666 O TRP A 81 5.930 15.829 -11.686 1.00 11.94 O ATOM 667 CB TRP A 81 4.199 17.955 -11.419 1.00 10.90 C ATOM 668 CG TRP A 81 3.460 19.226 -11.186 1.00 9.48 C ATOM 669 CD1 TRP A 81 2.485 19.751 -11.972 1.00 10.51 C ATOM 670 CD2 TRP A 81 3.708 20.206 -10.164 1.00 11.66 C ATOM 671 NE1 TRP A 81 2.067 20.965 -11.488 1.00 10.34 N ATOM 672 CE2 TRP A 81 2.800 21.274 -10.377 1.00 12.03 C ATOM 673 CE3 TRP A 81 4.574 20.274 -9.083 1.00 11.17 C ATOM 674 CZ2 TRP A 81 2.778 22.406 -9.581 1.00 11.94 C ATOM 675 CZ3 TRP A 81 4.530 21.390 -8.270 1.00 16.06 C ATOM 676 CH2 TRP A 81 3.644 22.432 -8.512 1.00 15.14 C ATOM 677 HE1 TRP A 81 1.315 21.554 -11.900 1.00 0.00 H ATOM 678 H TRP A 81 4.628 18.620 -13.918 1.00 0.00 H ATOM 679 N SER A 82 7.693 17.027 -12.468 1.00 12.26 N ATOM 680 CA SER A 82 8.636 15.883 -12.549 1.00 12.24 C ATOM 681 C SER A 82 9.934 16.361 -11.942 1.00 12.70 C ATOM 682 O SER A 82 10.548 17.313 -12.438 1.00 12.12 O ATOM 683 CB SER A 82 8.873 15.439 -14.007 1.00 11.51 C ATOM 684 OG SER A 82 9.929 14.474 -14.051 1.00 13.78 O ATOM 685 HG SER A 82 10.078 14.192 -14.988 1.00 0.00 H ATOM 686 H SER A 82 8.034 17.970 -12.744 1.00 0.00 H ATOM 687 N ASN A 83 10.347 15.731 -10.849 1.00 13.17 N ATOM 688 CA ASN A 83 11.702 15.938 -10.357 1.00 13.74 C ATOM 689 C ASN A 83 12.239 14.654 -9.773 1.00 14.93 C ATOM 690 O ASN A 83 11.630 13.574 -9.922 1.00 16.91 O ATOM 691 CB ASN A 83 11.783 17.169 -9.395 1.00 13.59 C ATOM 692 CG ASN A 83 11.105 16.920 -8.041 1.00 13.22 C ATOM 693 OD1 ASN A 83 10.710 15.800 -7.742 1.00 16.57 O ATOM 694 ND2 ASN A 83 10.981 17.966 -7.228 1.00 15.39 N ATOM 695 HD22 ASN A 83 11.331 18.899 -7.524 1.00 0.00 H ATOM 696 HD21 ASN A 83 10.534 17.850 -6.296 1.00 0.00 H ATOM 697 H ASN A 83 9.703 15.089 -10.344 1.00 0.00 H ATOM 698 N ALA A 84 13.379 14.749 -9.106 1.00 17.87 N ATOM 699 CA ALA A 84 14.019 13.552 -8.516 1.00 19.75 C ATOM 700 C ALA A 84 13.174 12.875 -7.430 1.00 20.36 C ATOM 701 O ALA A 84 13.292 11.668 -7.192 1.00 24.88 O ATOM 702 CB ALA A 84 15.385 13.932 -7.965 1.00 19.91 C ATOM 703 H ALA A 84 13.831 15.679 -8.995 1.00 0.00 H ATOM 704 N SER A 85 12.292 13.649 -6.804 1.00 19.86 N ATOM 705 CA SER A 85 11.531 13.187 -5.637 1.00 19.35 C ATOM 706 C SER A 85 10.195 12.565 -6.006 1.00 15.63 C ATOM 707 O SER A 85 9.764 11.597 -5.391 1.00 20.66 O ATOM 708 CB SER A 85 11.300 14.368 -4.689 1.00 20.00 C ATOM 709 OG SER A 85 12.532 14.759 -4.140 1.00 25.12 O ATOM 710 HG SER A 85 12.391 15.522 -3.526 1.00 0.00 H ATOM 711 H SER A 85 12.136 14.616 -7.154 1.00 0.00 H ATOM 712 N ALA A 86 9.513 13.144 -6.984 1.00 15.18 N ATOM 713 CA ALA A 86 8.138 12.735 -7.290 1.00 16.42 C ATOM 714 C ALA A 86 7.766 13.225 -8.668 1.00 17.54 C ATOM 715 O ALA A 86 8.180 14.319 -9.093 1.00 16.29 O ATOM 716 CB ALA A 86 7.132 13.295 -6.269 1.00 13.99 C ATOM 717 H ALA A 86 9.959 13.899 -7.543 1.00 0.00 H ATOM 718 N ASN A 87 6.929 12.445 -9.317 1.00 14.02 N ATOM 719 CA ASN A 87 6.412 12.760 -10.648 1.00 14.31 C ATOM 720 C ASN A 87 4.882 12.635 -10.605 1.00 15.00 C ATOM 721 O ASN A 87 4.343 11.525 -10.396 1.00 18.68 O ATOM 722 CB ASN A 87 6.972 11.744 -11.629 1.00 14.81 C ATOM 723 CG ASN A 87 6.516 11.970 -13.053 1.00 14.54 C ATOM 724 OD1 ASN A 87 5.838 12.921 -13.361 1.00 13.67 O ATOM 725 ND2 ASN A 87 6.945 11.087 -13.944 1.00 19.61 N ATOM 726 HD22 ASN A 87 7.527 10.281 -13.639 1.00 0.00 H ATOM 727 HD21 ASN A 87 6.699 11.200 -14.948 1.00 0.00 H ATOM 728 H ASN A 87 6.620 11.562 -8.862 1.00 0.00 H ATOM 729 N CYS A 88 4.185 13.757 -10.794 1.00 12.26 N ATOM 730 CA CYS A 88 2.722 13.764 -10.822 1.00 15.38 C ATOM 731 C CYS A 88 2.183 13.854 -12.250 1.00 13.35 C ATOM 732 O CYS A 88 0.992 14.065 -12.444 1.00 13.75 O ATOM 733 CB CYS A 88 2.160 14.875 -9.939 1.00 14.40 C ATOM 734 SG CYS A 88 2.548 14.678 -8.182 1.00 18.52 S ATOM 735 H CYS A 88 4.697 14.653 -10.925 1.00 0.00 H ATOM 736 N GLN A 89 3.052 13.660 -13.243 1.00 13.44 N ATOM 737 CA GLN A 89 2.597 13.451 -14.628 1.00 15.74 C ATOM 738 C GLN A 89 1.623 14.523 -15.093 1.00 13.16 C ATOM 739 O GLN A 89 0.556 14.242 -15.657 1.00 14.01 O ATOM 740 CB GLN A 89 1.971 12.046 -14.787 1.00 15.37 C ATOM 741 CG GLN A 89 2.773 10.909 -14.195 1.00 19.32 C ATOM 742 CD GLN A 89 2.164 9.551 -14.502 1.00 26.32 C ATOM 743 OE1 GLN A 89 1.398 8.987 -13.715 1.00 42.06 O ATOM 744 NE2 GLN A 89 2.495 9.024 -15.645 1.00 33.38 N ATOM 745 HE22 GLN A 89 3.143 9.529 -16.282 1.00 0.00 H ATOM 746 HE21 GLN A 89 2.111 8.098 -15.921 1.00 0.00 H ATOM 747 H GLN A 89 4.071 13.656 -13.035 1.00 0.00 H ATOM 748 N SER A 90 2.023 15.774 -14.908 1.00 14.31 N ATOM 749 CA SER A 90 1.103 16.889 -15.071 1.00 13.20 C ATOM 750 C SER A 90 1.906 18.176 -15.194 1.00 10.79 C ATOM 751 O SER A 90 3.138 18.174 -15.015 1.00 11.10 O ATOM 752 CB SER A 90 0.121 16.948 -13.892 1.00 17.57 C ATOM 753 OG SER A 90 0.848 16.994 -12.700 1.00 18.52 O ATOM 754 HG SER A 90 1.411 16.183 -12.627 1.00 0.00 H ATOM 755 H SER A 90 3.011 15.961 -14.642 1.00 0.00 H ATOM 756 N ALA A 91 1.208 19.268 -15.507 1.00 11.91 N ATOM 757 CA ALA A 91 1.820 20.598 -15.595 1.00 10.81 C ATOM 758 C ALA A 91 0.813 21.671 -15.237 1.00 10.16 C ATOM 759 O ALA A 91 -0.382 21.559 -15.542 1.00 13.37 O ATOM 760 CB ALA A 91 2.363 20.845 -16.997 1.00 12.93 C ATOM 761 H ALA A 91 0.190 19.173 -15.696 1.00 0.00 H ATOM 762 N THR A 92 1.343 22.745 -14.654 1.00 9.24 N ATOM 763 CA THR A 92 0.580 23.877 -14.296 1.00 9.14 C ATOM 764 C THR A 92 1.153 25.135 -14.923 1.00 8.54 C ATOM 765 O THR A 92 2.356 25.343 -14.926 1.00 9.99 O ATOM 766 CB THR A 92 0.552 24.041 -12.766 1.00 9.99 C ATOM 767 OG1 THR A 92 0.022 22.853 -12.189 1.00 11.45 O ATOM 768 CG2 THR A 92 -0.254 25.266 -12.326 1.00 11.07 C ATOM 769 HG1 THR A 92 -0.001 22.948 -11.204 1.00 0.00 H ATOM 770 H THR A 92 2.364 22.750 -14.454 1.00 0.00 H ATOM 771 N GLY A 93 0.257 25.965 -15.459 1.00 10.26 N ATOM 772 CA GLY A 93 0.615 27.302 -15.948 1.00 11.79 C ATOM 773 C GLY A 93 -0.116 28.400 -15.227 1.00 10.41 C ATOM 774 O GLY A 93 -1.341 28.366 -15.150 1.00 9.75 O ATOM 775 H GLY A 93 -0.732 25.653 -15.533 1.00 0.00 H ATOM 776 N TRP A 94 0.648 29.366 -14.728 1.00 9.70 N ATOM 777 CA TRP A 94 0.121 30.569 -14.072 1.00 8.19 C ATOM 778 C TRP A 94 0.337 31.798 -14.936 1.00 9.15 C ATOM 779 O TRP A 94 1.411 31.979 -15.523 1.00 10.27 O ATOM 780 CB TRP A 94 0.864 30.858 -12.760 1.00 9.70 C ATOM 781 CG TRP A 94 0.734 29.881 -11.610 1.00 9.53 C ATOM 782 CD1 TRP A 94 -0.016 30.067 -10.464 1.00 9.46 C ATOM 783 CD2 TRP A 94 1.472 28.667 -11.408 1.00 9.50 C ATOM 784 NE1 TRP A 94 0.181 29.027 -9.605 1.00 9.87 N ATOM 785 CE2 TRP A 94 1.105 28.160 -10.150 1.00 9.96 C ATOM 786 CE3 TRP A 94 2.416 27.961 -12.163 1.00 10.82 C ATOM 787 CZ2 TRP A 94 1.620 26.974 -9.656 1.00 10.11 C ATOM 788 CZ3 TRP A 94 2.939 26.780 -11.649 1.00 9.68 C ATOM 789 CH2 TRP A 94 2.557 26.312 -10.393 1.00 9.53 C ATOM 790 HE1 TRP A 94 -0.290 28.907 -8.686 1.00 0.00 H ATOM 791 H TRP A 94 1.680 29.264 -14.807 1.00 0.00 H ATOM 792 N THR A 95 -0.664 32.677 -14.939 1.00 9.97 N ATOM 793 CA THR A 95 -0.583 33.944 -15.635 1.00 9.88 C ATOM 794 C THR A 95 -1.238 34.996 -14.775 1.00 10.97 C ATOM 795 O THR A 95 -2.333 34.797 -14.217 1.00 10.41 O ATOM 796 CB THR A 95 -1.290 33.843 -17.012 1.00 10.28 C ATOM 797 OG1 THR A 95 -0.744 32.757 -17.753 1.00 10.74 O ATOM 798 CG2 THR A 95 -1.199 35.152 -17.826 1.00 12.23 C ATOM 799 HG1 THR A 95 0.225 32.907 -17.891 1.00 0.00 H ATOM 800 H THR A 95 -1.536 32.444 -14.422 1.00 0.00 H ATOM 801 N GLY A 96 -0.605 36.147 -14.694 1.00 9.76 N ATOM 802 CA GLY A 96 -1.134 37.210 -13.883 1.00 9.89 C ATOM 803 C GLY A 96 -0.227 38.410 -13.798 1.00 10.50 C ATOM 804 O GLY A 96 0.570 38.706 -14.728 1.00 10.22 O ATOM 805 H GLY A 96 0.282 36.288 -15.219 1.00 0.00 H ATOM 806 N TYR A 97 -0.355 39.156 -12.693 1.00 11.26 N ATOM 807 CA TYR A 97 0.276 40.457 -12.593 1.00 11.24 C ATOM 808 C TYR A 97 0.664 40.782 -11.141 1.00 11.74 C ATOM 809 O TYR A 97 0.010 40.311 -10.205 1.00 12.17 O ATOM 810 CB TYR A 97 -0.679 41.525 -13.144 1.00 12.35 C ATOM 811 CG TYR A 97 -2.029 41.568 -12.415 1.00 11.94 C ATOM 812 CD1 TYR A 97 -2.204 42.396 -11.309 1.00 15.83 C ATOM 813 CD2 TYR A 97 -3.121 40.819 -12.831 1.00 15.17 C ATOM 814 CE1 TYR A 97 -3.386 42.423 -10.617 1.00 17.16 C ATOM 815 CE2 TYR A 97 -4.331 40.878 -12.155 1.00 14.80 C ATOM 816 CZ TYR A 97 -4.451 41.677 -11.038 1.00 17.07 C ATOM 817 OH TYR A 97 -5.624 41.765 -10.312 1.00 22.24 O ATOM 818 HH TYR A 97 -5.496 42.389 -9.554 1.00 0.00 H ATOM 819 H TYR A 97 -0.916 38.796 -11.894 1.00 0.00 H ATOM 820 N PHE A 98 1.726 41.581 -10.985 1.00 12.11 N ATOM 821 CA PHE A 98 2.173 42.079 -9.685 1.00 12.50 C ATOM 822 C PHE A 98 1.537 43.407 -9.333 1.00 11.73 C ATOM 823 O PHE A 98 1.413 44.286 -10.188 1.00 16.08 O ATOM 824 CB PHE A 98 3.716 42.267 -9.659 1.00 12.89 C ATOM 825 CG PHE A 98 4.497 40.983 -9.755 1.00 11.08 C ATOM 826 CD1 PHE A 98 4.857 40.490 -10.983 1.00 10.38 C ATOM 827 CD2 PHE A 98 4.937 40.301 -8.613 1.00 14.04 C ATOM 828 CE1 PHE A 98 5.614 39.336 -11.097 1.00 11.99 C ATOM 829 CE2 PHE A 98 5.672 39.138 -8.721 1.00 12.83 C ATOM 830 CZ PHE A 98 6.003 38.624 -9.968 1.00 12.39 C ATOM 831 H PHE A 98 2.261 41.862 -11.832 1.00 0.00 H ATOM 832 N ASP A 99 1.185 43.568 -8.055 1.00 14.46 N ATOM 833 CA ASP A 99 0.645 44.811 -7.546 1.00 18.42 C ATOM 834 C ASP A 99 1.534 45.235 -6.397 1.00 17.66 C ATOM 835 O ASP A 99 1.574 44.565 -5.350 1.00 15.92 O ATOM 836 CB ASP A 99 -0.780 44.578 -7.087 1.00 22.06 C ATOM 837 CG ASP A 99 -1.425 45.805 -6.511 1.00 22.74 C ATOM 838 OD1 ASP A 99 -0.784 46.850 -6.319 1.00 25.07 O ATOM 839 OD2 ASP A 99 -2.613 45.710 -6.240 1.00 27.89 O ATOM 840 H ASP A 99 1.303 42.769 -7.400 1.00 0.00 H ATOM 841 N PHE A 100 2.280 46.303 -6.625 1.00 20.08 N ATOM 842 CA PHE A 100 3.176 46.883 -5.639 1.00 22.05 C ATOM 843 C PHE A 100 2.552 48.083 -4.910 1.00 25.54 C ATOM 844 O PHE A 100 3.245 48.748 -4.158 1.00 32.16 O ATOM 845 CB PHE A 100 4.475 47.333 -6.338 1.00 24.19 C ATOM 846 CG PHE A 100 5.286 46.195 -6.888 1.00 23.56 C ATOM 847 CD1 PHE A 100 6.062 45.421 -6.058 1.00 24.66 C ATOM 848 CD2 PHE A 100 5.249 45.868 -8.247 1.00 25.48 C ATOM 849 CE1 PHE A 100 6.801 44.358 -6.547 1.00 26.27 C ATOM 850 CE2 PHE A 100 5.992 44.803 -8.738 1.00 21.12 C ATOM 851 CZ PHE A 100 6.780 44.051 -7.890 1.00 26.55 C ATOM 852 H PHE A 100 2.222 46.752 -7.561 1.00 0.00 H ATOM 853 N SER A 101 1.257 48.330 -5.101 1.00 24.35 N ATOM 854 CA SER A 101 0.641 49.561 -4.596 1.00 31.70 C ATOM 855 C SER A 101 0.430 49.540 -3.084 1.00 30.91 C ATOM 856 O SER A 101 0.311 50.600 -2.465 1.00 47.12 O ATOM 857 CB SER A 101 -0.678 49.886 -5.314 1.00 35.16 C ATOM 858 OG SER A 101 -1.714 48.967 -5.009 1.00 28.18 O ATOM 859 HG SER A 101 -1.437 48.057 -5.283 1.00 0.00 H ATOM 860 H SER A 101 0.674 47.639 -5.616 1.00 0.00 H ATOM 861 N GLY A 102 0.375 48.347 -2.490 1.00 31.10 N ATOM 862 CA GLY A 102 0.196 48.256 -1.040 1.00 32.83 C ATOM 863 C GLY A 102 1.526 48.164 -0.329 1.00 29.00 C ATOM 864 O GLY A 102 2.568 48.093 -0.968 1.00 32.31 O ATOM 865 H GLY A 102 0.459 47.480 -3.058 1.00 0.00 H ATOM 866 N SER A 103 1.490 48.148 1.006 1.00 27.45 N ATOM 867 CA SER A 103 2.706 48.034 1.800 1.00 32.46 C ATOM 868 C SER A 103 3.385 46.672 1.608 1.00 27.92 C ATOM 869 O SER A 103 4.592 46.552 1.772 1.00 37.13 O ATOM 870 CB SER A 103 2.427 48.298 3.294 1.00 36.90 C ATOM 871 OG SER A 103 1.231 47.674 3.763 1.00 39.25 O ATOM 872 HG SER A 103 1.108 47.880 4.724 1.00 0.00 H ATOM 873 H SER A 103 0.572 48.219 1.490 1.00 0.00 H ATOM 874 N GLN A 104 2.606 45.663 1.228 1.00 24.22 N ATOM 875 CA GLN A 104 3.137 44.344 0.917 1.00 18.00 C ATOM 876 C GLN A 104 2.792 44.014 -0.547 1.00 17.32 C ATOM 877 O GLN A 104 1.644 44.125 -0.953 1.00 17.62 O ATOM 878 CB GLN A 104 2.533 43.269 1.835 1.00 20.40 C ATOM 879 CG GLN A 104 3.277 41.933 1.738 1.00 19.73 C ATOM 880 CD GLN A 104 2.775 40.884 2.715 1.00 20.56 C ATOM 881 OE1 GLN A 104 1.760 41.068 3.355 1.00 25.43 O ATOM 882 NE2 GLN A 104 3.435 39.765 2.765 1.00 17.40 N ATOM 883 HE22 GLN A 104 4.301 39.646 2.201 1.00 0.00 H ATOM 884 HE21 GLN A 104 3.097 38.989 3.369 1.00 0.00 H ATOM 885 H GLN A 104 1.581 45.822 1.150 1.00 0.00 H ATOM 886 N ALA A 105 3.765 43.565 -1.316 1.00 15.55 N ATOM 887 CA ALA A 105 3.517 43.264 -2.736 1.00 15.63 C ATOM 888 C ALA A 105 2.725 41.942 -2.860 1.00 13.37 C ATOM 889 O ALA A 105 2.915 41.029 -2.053 1.00 14.48 O ATOM 890 CB ALA A 105 4.853 43.175 -3.466 1.00 19.03 C ATOM 891 H ALA A 105 4.715 43.422 -0.916 1.00 0.00 H ATOM 892 N VAL A 106 1.850 41.862 -3.874 1.00 12.24 N ATOM 893 CA VAL A 106 1.021 40.701 -4.182 1.00 13.44 C ATOM 894 C VAL A 106 1.151 40.363 -5.677 1.00 11.73 C ATOM 895 O VAL A 106 1.263 41.250 -6.531 1.00 18.69 O ATOM 896 CB VAL A 106 -0.468 40.883 -3.798 1.00 18.66 C ATOM 897 CG1 VAL A 106 -1.088 42.071 -4.463 1.00 22.35 C ATOM 898 CG2 VAL A 106 -1.283 39.628 -4.053 1.00 22.75 C ATOM 899 H VAL A 106 1.755 42.694 -4.490 1.00 0.00 H ATOM 900 N LEU A 107 1.199 39.073 -5.967 1.00 12.28 N ATOM 901 CA LEU A 107 1.126 38.571 -7.331 1.00 13.04 C ATOM 902 C LEU A 107 -0.226 37.859 -7.443 1.00 11.30 C ATOM 903 O LEU A 107 -0.512 36.898 -6.704 1.00 13.33 O ATOM 904 CB LEU A 107 2.313 37.640 -7.577 1.00 11.62 C ATOM 905 CG LEU A 107 2.205 36.687 -8.780 1.00 11.39 C ATOM 906 CD1 LEU A 107 2.089 37.511 -10.066 1.00 11.06 C ATOM 907 CD2 LEU A 107 3.413 35.774 -8.848 1.00 13.39 C ATOM 908 H LEU A 107 1.293 38.390 -5.188 1.00 0.00 H ATOM 909 N LYS A 108 -1.090 38.364 -8.328 1.00 11.36 N ATOM 910 CA LYS A 108 -2.384 37.761 -8.566 1.00 13.19 C ATOM 911 C LYS A 108 -2.325 36.956 -9.855 1.00 12.91 C ATOM 912 O LYS A 108 -1.950 37.475 -10.903 1.00 12.56 O ATOM 913 CB LYS A 108 -3.465 38.809 -8.679 1.00 13.76 C ATOM 914 CG LYS A 108 -3.410 39.816 -7.535 1.00 22.09 C ATOM 915 CD LYS A 108 -4.433 39.526 -6.498 1.00 29.43 C ATOM 916 CE LYS A 108 -5.836 39.663 -7.039 1.00 33.12 C ATOM 917 NZ LYS A 108 -6.731 38.807 -6.215 1.00 39.99 N ATOM 918 HZ1 LYS A 108 -6.416 37.818 -6.277 1.00 0.00 H ATOM 919 HZ2 LYS A 108 -6.695 39.122 -5.225 1.00 0.00 H ATOM 920 HZ3 LYS A 108 -7.706 38.885 -6.569 1.00 0.00 H ATOM 921 H LYS A 108 -0.825 39.216 -8.862 1.00 0.00 H ATOM 922 N THR A 109 -2.758 35.711 -9.780 1.00 11.55 N ATOM 923 CA THR A 109 -2.708 34.790 -10.956 1.00 12.13 C ATOM 924 C THR A 109 -3.940 33.941 -11.066 1.00 9.80 C ATOM 925 O THR A 109 -4.586 33.635 -10.044 1.00 13.63 O ATOM 926 CB THR A 109 -1.497 33.820 -10.886 1.00 12.33 C ATOM 927 OG1 THR A 109 -1.670 32.843 -9.818 1.00 11.17 O ATOM 928 CG2 THR A 109 -0.214 34.568 -10.706 1.00 14.54 C ATOM 929 HG1 THR A 109 -1.750 33.314 -8.951 1.00 0.00 H ATOM 930 H THR A 109 -3.144 35.362 -8.879 1.00 0.00 H ATOM 931 N ASP A 110 -4.209 33.504 -12.305 1.00 10.80 N ATOM 932 CA ASP A 110 -5.070 32.413 -12.629 1.00 11.59 C ATOM 933 C ASP A 110 -4.179 31.289 -13.156 1.00 11.57 C ATOM 934 O ASP A 110 -3.124 31.556 -13.782 1.00 11.83 O ATOM 935 CB ASP A 110 -6.095 32.819 -13.688 1.00 13.20 C ATOM 936 CG ASP A 110 -7.140 33.782 -13.140 1.00 19.62 C ATOM 937 OD1 ASP A 110 -7.020 34.364 -12.062 1.00 28.74 O ATOM 938 OD2 ASP A 110 -8.133 33.957 -13.747 1.00 28.34 O ATOM 939 H ASP A 110 -3.752 34.002 -13.096 1.00 0.00 H ATOM 940 N TRP A 111 -4.555 30.053 -12.849 1.00 12.20 N ATOM 941 CA TRP A 111 -3.772 28.897 -13.247 1.00 10.24 C ATOM 942 C TRP A 111 -4.622 27.826 -13.914 1.00 11.46 C ATOM 943 O TRP A 111 -5.844 27.727 -13.680 1.00 12.48 O ATOM 944 CB TRP A 111 -2.925 28.290 -12.099 1.00 10.95 C ATOM 945 CG TRP A 111 -3.651 27.921 -10.859 1.00 11.63 C ATOM 946 CD1 TRP A 111 -3.662 28.637 -9.683 1.00 12.14 C ATOM 947 CD2 TRP A 111 -4.418 26.718 -10.606 1.00 12.10 C ATOM 948 NE1 TRP A 111 -4.403 27.951 -8.721 1.00 14.22 N ATOM 949 CE2 TRP A 111 -4.878 26.783 -9.269 1.00 12.70 C ATOM 950 CE3 TRP A 111 -4.744 25.590 -11.378 1.00 15.33 C ATOM 951 CZ2 TRP A 111 -5.661 25.757 -8.692 1.00 15.69 C ATOM 952 CZ3 TRP A 111 -5.550 24.607 -10.824 1.00 17.88 C ATOM 953 CH2 TRP A 111 -5.982 24.683 -9.475 1.00 15.85 C ATOM 954 HE1 TRP A 111 -4.570 28.272 -7.746 1.00 0.00 H ATOM 955 H TRP A 111 -5.433 29.909 -12.310 1.00 0.00 H ATOM 956 N ASN A 112 -3.951 27.042 -14.763 1.00 10.30 N ATOM 957 CA ASN A 112 -4.493 25.824 -15.345 1.00 10.18 C ATOM 958 C ASN A 112 -3.588 24.641 -15.043 1.00 11.75 C ATOM 959 O ASN A 112 -2.369 24.729 -15.190 1.00 11.10 O ATOM 960 CB ASN A 112 -4.633 25.993 -16.870 1.00 10.36 C ATOM 961 CG ASN A 112 -5.761 26.950 -17.253 1.00 13.42 C ATOM 962 OD1 ASN A 112 -6.905 26.806 -16.807 1.00 14.98 O ATOM 963 ND2 ASN A 112 -5.444 27.929 -18.073 1.00 14.07 N ATOM 964 HD22 ASN A 112 -4.470 28.016 -18.427 1.00 0.00 H ATOM 965 HD21 ASN A 112 -6.168 28.615 -18.368 1.00 0.00 H ATOM 966 H ASN A 112 -2.983 27.319 -15.023 1.00 0.00 H ATOM 967 N LEU A 113 -4.200 23.537 -14.625 1.00 11.21 N ATOM 968 CA LEU A 113 -3.492 22.303 -14.344 1.00 11.62 C ATOM 969 C LEU A 113 -3.980 21.246 -15.311 1.00 12.17 C ATOM 970 O LEU A 113 -5.157 20.937 -15.323 1.00 14.18 O ATOM 971 CB LEU A 113 -3.721 21.854 -12.882 1.00 14.87 C ATOM 972 CG LEU A 113 -3.397 20.395 -12.542 1.00 15.02 C ATOM 973 CD1 LEU A 113 -1.886 20.209 -12.532 1.00 14.17 C ATOM 974 CD2 LEU A 113 -3.994 20.046 -11.189 1.00 17.67 C ATOM 975 H LEU A 113 -5.231 23.559 -14.494 1.00 0.00 H ATOM 976 N ALA A 114 -3.073 20.769 -16.171 1.00 13.27 N ATOM 977 CA ALA A 114 -3.358 19.698 -17.110 1.00 11.38 C ATOM 978 C ALA A 114 -2.850 18.376 -16.549 1.00 11.68 C ATOM 979 O ALA A 114 -1.709 18.272 -16.087 1.00 12.35 O ATOM 980 CB ALA A 114 -2.721 19.989 -18.465 1.00 11.42 C ATOM 981 H ALA A 114 -2.120 21.184 -16.167 1.00 0.00 H ATOM 982 N PHE A 115 -3.685 17.352 -16.626 1.00 12.39 N ATOM 983 CA PHE A 115 -3.394 16.063 -16.009 1.00 11.60 C ATOM 984 C PHE A 115 -4.312 14.986 -16.566 1.00 14.68 C ATOM 985 O PHE A 115 -5.239 15.301 -17.294 1.00 18.11 O ATOM 986 CB PHE A 115 -3.602 16.189 -14.481 1.00 14.48 C ATOM 987 CG PHE A 115 -5.053 16.307 -14.056 1.00 17.61 C ATOM 988 CD1 PHE A 115 -5.718 17.511 -14.138 1.00 16.60 C ATOM 989 CD2 PHE A 115 -5.731 15.195 -13.507 1.00 22.19 C ATOM 990 CE1 PHE A 115 -7.043 17.605 -13.760 1.00 21.22 C ATOM 991 CE2 PHE A 115 -7.048 15.292 -13.094 1.00 28.38 C ATOM 992 CZ PHE A 115 -7.704 16.502 -13.219 1.00 22.65 C ATOM 993 H PHE A 115 -4.579 17.471 -17.144 1.00 0.00 H ATOM 994 N TYR A 116 -4.031 13.725 -16.226 1.00 16.42 N ATOM 995 CA TYR A 116 -4.863 12.582 -16.608 1.00 17.20 C ATOM 996 C TYR A 116 -5.491 11.906 -15.389 1.00 19.22 C ATOM 997 O TYR A 116 -4.884 11.826 -14.304 1.00 20.48 O ATOM 998 CB TYR A 116 -4.027 11.554 -17.376 1.00 18.09 C ATOM 999 CG TYR A 116 -3.950 11.824 -18.857 1.00 17.37 C ATOM 1000 CD1 TYR A 116 -3.028 12.696 -19.372 1.00 17.33 C ATOM 1001 CD2 TYR A 116 -4.798 11.168 -19.727 1.00 22.40 C ATOM 1002 CE1 TYR A 116 -2.967 12.929 -20.727 1.00 19.10 C ATOM 1003 CE2 TYR A 116 -4.755 11.396 -21.076 1.00 21.64 C ATOM 1004 CZ TYR A 116 -3.849 12.276 -21.571 1.00 18.73 C ATOM 1005 OH TYR A 116 -3.840 12.473 -22.924 1.00 18.99 O ATOM 1006 HH TYR A 116 -3.139 13.133 -23.156 1.00 0.00 H ATOM 1007 H TYR A 116 -3.177 13.546 -15.661 1.00 0.00 H ATOM 1008 N SER A 117 -6.735 11.494 -15.549 1.00 25.78 N ATOM 1009 CA SER A 117 -7.389 10.659 -14.599 1.00 24.97 C ATOM 1010 C SER A 117 -7.709 9.385 -15.369 1.00 29.47 C ATOM 1011 O SER A 117 -8.627 9.353 -16.190 1.00 30.99 O ATOM 1012 CB SER A 117 -8.635 11.350 -14.073 1.00 30.25 C ATOM 1013 OG SER A 117 -9.418 10.442 -13.330 1.00 44.37 O ATOM 1014 HG SER A 117 -9.686 9.687 -13.911 1.00 0.00 H ATOM 1015 H SER A 117 -7.256 11.790 -16.399 1.00 0.00 H ATOM 1016 N GLY A 118 -6.920 8.346 -15.113 1.00 33.60 N ATOM 1017 CA GLY A 118 -6.970 7.128 -15.910 1.00 38.45 C ATOM 1018 C GLY A 118 -6.522 7.507 -17.301 1.00 35.85 C ATOM 1019 O GLY A 118 -5.493 8.160 -17.472 1.00 40.21 O ATOM 1020 H GLY A 118 -6.248 8.405 -14.321 1.00 0.00 H ATOM 1021 N SER A 119 -7.318 7.149 -18.293 1.00 35.25 N ATOM 1022 CA SER A 119 -7.007 7.524 -19.668 1.00 36.05 C ATOM 1023 C SER A 119 -7.649 8.859 -20.083 1.00 27.58 C ATOM 1024 O SER A 119 -7.517 9.259 -21.228 1.00 27.51 O ATOM 1025 CB SER A 119 -7.433 6.413 -20.629 1.00 35.58 C ATOM 1026 OG SER A 119 -8.833 6.232 -20.602 1.00 37.86 O ATOM 1027 HG SER A 119 -9.083 5.509 -21.231 1.00 0.00 H ATOM 1028 H SER A 119 -8.174 6.595 -18.092 1.00 0.00 H ATOM 1029 N THR A 120 -8.332 9.536 -19.155 1.00 25.32 N ATOM 1030 CA THR A 120 -9.065 10.759 -19.459 1.00 24.74 C ATOM 1031 C THR A 120 -8.264 12.041 -19.152 1.00 23.91 C ATOM 1032 O THR A 120 -7.948 12.305 -17.999 1.00 22.41 O ATOM 1033 CB THR A 120 -10.385 10.787 -18.667 1.00 29.58 C ATOM 1034 OG1 THR A 120 -11.176 9.679 -19.049 1.00 33.13 O ATOM 1035 CG2 THR A 120 -11.175 12.046 -18.945 1.00 32.69 C ATOM 1036 HG1 THR A 120 -12.027 9.692 -18.543 1.00 0.00 H ATOM 1037 H THR A 120 -8.341 9.177 -18.179 1.00 0.00 H ATOM 1038 N PRO A 121 -7.957 12.857 -20.170 1.00 20.10 N ATOM 1039 CA PRO A 121 -7.262 14.127 -19.879 1.00 18.86 C ATOM 1040 C PRO A 121 -8.224 15.166 -19.358 1.00 20.03 C ATOM 1041 O PRO A 121 -9.419 15.090 -19.624 1.00 22.87 O ATOM 1042 CB PRO A 121 -6.703 14.538 -21.238 1.00 23.66 C ATOM 1043 CG PRO A 121 -7.616 13.911 -22.245 1.00 21.03 C ATOM 1044 CD PRO A 121 -8.203 12.679 -21.620 1.00 19.92 C ATOM 1045 N ALA A 122 -7.720 16.118 -18.599 1.00 18.98 N ATOM 1046 CA ALA A 122 -8.538 17.246 -18.148 1.00 24.01 C ATOM 1047 C ALA A 122 -7.645 18.432 -17.798 1.00 18.40 C ATOM 1048 O ALA A 122 -6.451 18.271 -17.607 1.00 15.51 O ATOM 1049 CB ALA A 122 -9.433 16.841 -16.965 1.00 23.86 C ATOM 1050 H ALA A 122 -6.721 16.067 -18.314 1.00 0.00 H ATOM 1051 N ILE A 123 -8.243 19.627 -17.787 1.00 16.59 N ATOM 1052 CA ILE A 123 -7.559 20.843 -17.439 1.00 17.98 C ATOM 1053 C ILE A 123 -8.431 21.516 -16.411 1.00 22.14 C ATOM 1054 O ILE A 123 -9.600 21.857 -16.685 1.00 23.96 O ATOM 1055 CB ILE A 123 -7.340 21.784 -18.646 1.00 19.05 C ATOM 1056 CG1 ILE A 123 -6.703 21.008 -19.797 1.00 18.52 C ATOM 1057 CG2 ILE A 123 -6.449 22.963 -18.249 1.00 20.91 C ATOM 1058 CD1 ILE A 123 -6.580 21.756 -21.108 1.00 20.20 C ATOM 1059 H ILE A 123 -9.250 19.680 -18.042 1.00 0.00 H ATOM 1060 N GLN A 124 -7.880 21.639 -15.213 1.00 20.62 N ATOM 1061 CA GLN A 124 -8.573 22.238 -14.072 1.00 20.83 C ATOM 1062 C GLN A 124 -8.072 23.670 -13.876 1.00 16.66 C ATOM 1063 O GLN A 124 -6.880 23.955 -14.099 1.00 17.02 O ATOM 1064 CB GLN A 124 -8.276 21.413 -12.830 1.00 24.04 C ATOM 1065 CG GLN A 124 -8.956 21.902 -11.567 1.00 29.54 C ATOM 1066 CD GLN A 124 -8.559 21.061 -10.382 1.00 44.57 C ATOM 1067 OE1 GLN A 124 -9.251 20.114 -10.033 1.00 58.35 O ATOM 1068 NE2 GLN A 124 -7.411 21.373 -9.790 1.00 47.35 N ATOM 1069 HE22 GLN A 124 -6.859 22.188 -10.124 1.00 0.00 H ATOM 1070 HE21 GLN A 124 -7.065 20.802 -8.993 1.00 0.00 H ATOM 1071 H GLN A 124 -6.909 21.293 -15.077 1.00 0.00 H ATOM 1072 N GLN A 125 -8.986 24.566 -13.486 1.00 17.99 N ATOM 1073 CA GLN A 125 -8.697 26.012 -13.361 1.00 16.41 C ATOM 1074 C GLN A 125 -8.705 26.409 -11.864 1.00 14.41 C ATOM 1075 O GLN A 125 -9.408 25.825 -11.047 1.00 19.27 O ATOM 1076 CB GLN A 125 -9.768 26.849 -14.063 1.00 20.30 C ATOM 1077 CG GLN A 125 -9.731 26.975 -15.589 1.00 27.41 C ATOM 1078 CD GLN A 125 -10.094 25.730 -16.370 1.00 31.77 C ATOM 1079 OE1 GLN A 125 -11.216 25.207 -16.258 1.00 34.89 O ATOM 1080 NE2 GLN A 125 -9.170 25.278 -17.223 1.00 32.34 N ATOM 1081 HE22 GLN A 125 -8.244 25.747 -17.283 1.00 0.00 H ATOM 1082 HE21 GLN A 125 -9.377 24.457 -17.827 1.00 0.00 H ATOM 1083 H GLN A 125 -9.944 24.231 -13.260 1.00 0.00 H ATOM 1084 N GLY A 126 -7.986 27.470 -11.532 1.00 15.98 N ATOM 1085 CA GLY A 126 -8.000 28.012 -10.175 1.00 16.36 C ATOM 1086 C GLY A 126 -7.325 29.371 -10.154 1.00 15.01 C ATOM 1087 O GLY A 126 -6.928 29.899 -11.197 1.00 14.20 O ATOM 1088 H GLY A 126 -7.396 27.929 -12.255 1.00 0.00 H ATOM 1089 N GLN A 127 -7.170 29.913 -8.968 1.00 16.45 N ATOM 1090 CA GLN A 127 -6.559 31.201 -8.767 1.00 15.94 C ATOM 1091 C GLN A 127 -5.628 31.150 -7.593 1.00 14.10 C ATOM 1092 O GLN A 127 -6.013 30.636 -6.538 1.00 15.81 O ATOM 1093 CB GLN A 127 -7.636 32.248 -8.509 1.00 17.56 C ATOM 1094 CG GLN A 127 -8.592 32.399 -9.674 1.00 22.82 C ATOM 1095 CD GLN A 127 -9.525 33.578 -9.510 1.00 28.59 C ATOM 1096 OE1 GLN A 127 -10.278 33.655 -8.551 1.00 32.76 O ATOM 1097 NE2 GLN A 127 -9.493 34.484 -10.448 1.00 37.63 N ATOM 1098 HE22 GLN A 127 -8.837 34.381 -11.248 1.00 0.00 H ATOM 1099 HE21 GLN A 127 -10.124 35.309 -10.396 1.00 0.00 H ATOM 1100 H GLN A 127 -7.504 29.387 -8.135 1.00 0.00 H ATOM 1101 N ASP A 128 -4.417 31.677 -7.759 1.00 13.74 N ATOM 1102 CA ASP A 128 -3.480 31.843 -6.630 1.00 12.45 C ATOM 1103 C ASP A 128 -3.148 33.281 -6.419 1.00 12.23 C ATOM 1104 O ASP A 128 -2.817 33.990 -7.370 1.00 13.23 O ATOM 1105 CB ASP A 128 -2.143 31.119 -6.844 1.00 11.79 C ATOM 1106 CG ASP A 128 -2.252 29.593 -6.713 1.00 13.01 C ATOM 1107 OD1 ASP A 128 -3.269 29.081 -6.172 1.00 16.31 O ATOM 1108 OD2 ASP A 128 -1.287 28.913 -7.138 1.00 13.70 O ATOM 1109 H ASP A 128 -4.123 31.980 -8.709 1.00 0.00 H ATOM 1110 N ASP A 129 -3.178 33.714 -5.170 1.00 12.68 N ATOM 1111 CA ASP A 129 -2.680 35.021 -4.787 1.00 13.47 C ATOM 1112 C ASP A 129 -1.455 34.798 -3.915 1.00 12.18 C ATOM 1113 O ASP A 129 -1.544 34.120 -2.900 1.00 12.47 O ATOM 1114 CB ASP A 129 -3.725 35.779 -3.988 1.00 16.78 C ATOM 1115 CG ASP A 129 -4.879 36.305 -4.835 1.00 20.94 C ATOM 1116 OD1 ASP A 129 -4.807 36.374 -6.072 1.00 21.61 O ATOM 1117 OD2 ASP A 129 -5.887 36.680 -4.222 1.00 33.22 O ATOM 1118 H ASP A 129 -3.574 33.094 -4.435 1.00 0.00 H ATOM 1119 N PHE A 130 -0.319 35.317 -4.357 1.00 12.77 N ATOM 1120 CA PHE A 130 0.964 35.165 -3.661 1.00 13.36 C ATOM 1121 C PHE A 130 1.345 36.476 -2.974 1.00 14.79 C ATOM 1122 O PHE A 130 1.317 37.548 -3.579 1.00 18.32 O ATOM 1123 CB PHE A 130 2.104 34.847 -4.618 1.00 11.74 C ATOM 1124 CG PHE A 130 1.963 33.584 -5.436 1.00 10.52 C ATOM 1125 CD1 PHE A 130 1.162 33.546 -6.573 1.00 11.81 C ATOM 1126 CD2 PHE A 130 2.718 32.464 -5.129 1.00 11.68 C ATOM 1127 CE1 PHE A 130 1.089 32.381 -7.353 1.00 12.63 C ATOM 1128 CE2 PHE A 130 2.665 31.319 -5.902 1.00 12.34 C ATOM 1129 CZ PHE A 130 1.845 31.270 -7.020 1.00 10.20 C ATOM 1130 H PHE A 130 -0.337 35.861 -5.243 1.00 0.00 H ATOM 1131 N MET A 131 1.729 36.408 -1.704 1.00 14.03 N ATOM 1132 CA MET A 131 2.183 37.574 -0.957 1.00 13.52 C ATOM 1133 C MET A 131 3.695 37.505 -0.844 1.00 12.75 C ATOM 1134 O MET A 131 4.248 36.453 -0.523 1.00 13.56 O ATOM 1135 CB MET A 131 1.579 37.565 0.455 1.00 13.42 C ATOM 1136 CG MET A 131 0.057 37.626 0.487 1.00 14.77 C ATOM 1137 SD MET A 131 -0.559 39.159 -0.233 1.00 15.48 S ATOM 1138 CE MET A 131 0.142 40.406 0.846 1.00 17.99 C ATOM 1139 H MET A 131 1.705 35.486 -1.224 1.00 0.00 H ATOM 1140 N GLN A 132 4.382 38.610 -1.087 1.00 13.61 N ATOM 1141 CA GLN A 132 5.838 38.583 -1.025 1.00 13.31 C ATOM 1142 C GLN A 132 6.350 38.269 0.382 1.00 13.92 C ATOM 1143 O GLN A 132 5.811 38.750 1.386 1.00 15.91 O ATOM 1144 CB GLN A 132 6.445 39.909 -1.493 1.00 16.04 C ATOM 1145 CG GLN A 132 7.933 39.772 -1.797 1.00 16.42 C ATOM 1146 CD GLN A 132 8.590 41.024 -2.303 1.00 18.45 C ATOM 1147 OE1 GLN A 132 8.011 42.131 -2.299 1.00 20.07 O ATOM 1148 NE2 GLN A 132 9.840 40.875 -2.715 1.00 18.37 N ATOM 1149 HE22 GLN A 132 10.283 39.934 -2.701 1.00 0.00 H ATOM 1150 HE21 GLN A 132 10.378 41.699 -3.052 1.00 0.00 H ATOM 1151 H GLN A 132 3.885 39.493 -1.321 1.00 0.00 H ATOM 1152 N SER A 133 7.411 37.461 0.414 1.00 14.09 N ATOM 1153 CA SER A 133 8.204 37.180 1.622 1.00 14.72 C ATOM 1154 C SER A 133 9.291 38.208 1.741 1.00 17.14 C ATOM 1155 O SER A 133 10.230 38.250 0.916 1.00 19.58 O ATOM 1156 CB SER A 133 8.861 35.820 1.543 1.00 15.96 C ATOM 1157 OG SER A 133 7.902 34.811 1.396 1.00 18.09 O ATOM 1158 HG SER A 133 8.355 33.932 1.347 1.00 0.00 H ATOM 1159 H SER A 133 7.697 36.999 -0.473 1.00 0.00 H ATOM 1160 N VAL A 134 9.181 39.029 2.778 1.00 18.27 N ATOM 1161 CA VAL A 134 10.185 39.974 3.075 1.00 23.97 C ATOM 1162 C VAL A 134 10.496 39.967 4.561 1.00 40.48 C ATOM 1163 O VAL A 134 11.376 40.681 4.865 1.00 32.80 O ATOM 1164 CB VAL A 134 9.784 41.406 2.646 1.00 18.17 C ATOM 1165 CG1 VAL A 134 9.533 41.482 1.138 1.00 21.80 C ATOM 1166 CG2 VAL A 134 8.552 41.858 3.407 1.00 24.41 C ATOM 1167 H VAL A 134 8.337 38.974 3.384 1.00 0.00 H TER 1168 VAL A 134 ATOM 1169 N SER B 8 6.024 6.928 -33.958 1.00 66.05 N ATOM 1170 CA SER B 8 4.713 7.357 -33.382 1.00 60.41 C ATOM 1171 C SER B 8 4.529 8.871 -33.537 1.00 62.90 C ATOM 1172 O SER B 8 5.476 9.585 -33.856 1.00 68.50 O ATOM 1173 CB SER B 8 4.611 6.961 -31.902 1.00 72.16 C ATOM 1174 OG SER B 8 5.468 7.754 -31.094 1.00 69.22 O ATOM 1175 HG SER B 8 5.379 7.475 -30.148 1.00 0.00 H ATOM 1176 HN3 SER B 8 6.796 7.416 -33.460 1.00 0.00 H ATOM 1177 HN2 SER B 8 6.053 7.171 -34.969 1.00 0.00 H ATOM 1178 HN1 SER B 8 6.131 5.900 -33.844 1.00 0.00 H ATOM 1179 N PRO B 9 3.302 9.369 -33.314 1.00 57.62 N ATOM 1180 CA PRO B 9 3.079 10.814 -33.429 1.00 46.86 C ATOM 1181 C PRO B 9 3.736 11.671 -32.323 1.00 45.93 C ATOM 1182 O PRO B 9 4.127 12.813 -32.590 1.00 47.53 O ATOM 1183 CB PRO B 9 1.551 10.931 -33.359 1.00 54.38 C ATOM 1184 CG PRO B 9 1.016 9.575 -33.676 1.00 53.19 C ATOM 1185 CD PRO B 9 2.037 8.636 -33.113 1.00 59.38 C ATOM 1186 N ASP B 10 3.838 11.142 -31.100 1.00 41.74 N ATOM 1187 CA ASP B 10 4.454 11.891 -29.966 1.00 29.22 C ATOM 1188 C ASP B 10 5.961 12.125 -30.187 1.00 25.86 C ATOM 1189 O ASP B 10 6.556 13.105 -29.695 1.00 47.27 O ATOM 1190 CB ASP B 10 4.174 11.187 -28.623 1.00 37.27 C ATOM 1191 CG ASP B 10 4.540 9.706 -28.642 1.00 42.02 C ATOM 1192 OD1 ASP B 10 3.881 8.902 -29.355 1.00 53.70 O ATOM 1193 OD2 ASP B 10 5.492 9.350 -27.917 1.00 42.66 O ATOM 1194 H ASP B 10 3.478 10.181 -30.934 1.00 0.00 H ATOM 1195 N MET B 11 6.557 11.205 -30.941 1.00 46.34 N ATOM 1196 CA MET B 11 7.833 11.416 -31.622 1.00 41.50 C ATOM 1197 C MET B 11 7.539 12.257 -32.835 1.00 48.66 C ATOM 1198 O MET B 11 6.415 12.255 -33.331 1.00 56.88 O ATOM 1199 CB MET B 11 8.393 10.078 -32.089 1.00 46.78 C ATOM 1200 CG MET B 11 8.711 9.146 -30.947 1.00 51.01 C ATOM 1201 SD MET B 11 9.959 9.943 -29.945 1.00 51.83 S ATOM 1202 CE MET B 11 9.160 9.886 -28.337 1.00 53.77 C ATOM 1203 H MET B 11 6.088 10.283 -31.052 1.00 0.00 H ATOM 1204 N LYS B 12 8.529 12.990 -33.318 1.00 47.40 N ATOM 1205 CA LYS B 12 8.341 13.882 -34.485 1.00 56.67 C ATOM 1206 C LYS B 12 7.600 15.175 -34.121 1.00 41.51 C ATOM 1207 O LYS B 12 7.743 16.177 -34.816 1.00 44.48 O ATOM 1208 CB LYS B 12 7.625 13.190 -35.661 1.00 57.08 C ATOM 1209 CG LYS B 12 7.942 11.706 -35.886 1.00 64.97 C ATOM 1210 CD LYS B 12 9.429 11.390 -35.943 1.00 52.71 C ATOM 1211 CE LYS B 12 9.653 10.002 -36.503 1.00 57.11 C ATOM 1212 NZ LYS B 12 11.038 9.895 -37.027 1.00 65.67 N ATOM 1213 HZ1 LYS B 12 11.178 10.599 -37.780 1.00 0.00 H ATOM 1214 HZ2 LYS B 12 11.714 10.071 -36.256 1.00 0.00 H ATOM 1215 HZ3 LYS B 12 11.189 8.940 -37.411 1.00 0.00 H ATOM 1216 H LYS B 12 9.464 12.938 -32.866 1.00 0.00 H ATOM 1217 N LEU B 13 6.791 15.154 -33.061 1.00 35.13 N ATOM 1218 CA LEU B 13 6.531 16.391 -32.330 1.00 25.44 C ATOM 1219 C LEU B 13 7.903 16.885 -31.904 1.00 22.94 C ATOM 1220 O LEU B 13 8.232 18.067 -32.055 1.00 24.91 O ATOM 1221 CB LEU B 13 5.639 16.172 -31.089 1.00 25.87 C ATOM 1222 CG LEU B 13 5.470 17.418 -30.199 1.00 25.60 C ATOM 1223 CD1 LEU B 13 4.858 18.584 -30.952 1.00 25.21 C ATOM 1224 CD2 LEU B 13 4.648 17.096 -28.962 1.00 25.14 C ATOM 1225 H LEU B 13 6.349 14.263 -32.757 1.00 0.00 H ATOM 1226 N LEU B 14 8.708 15.961 -31.379 1.00 25.62 N ATOM 1227 CA LEU B 14 9.989 16.318 -30.789 1.00 23.74 C ATOM 1228 C LEU B 14 11.031 16.772 -31.781 1.00 30.55 C ATOM 1229 O LEU B 14 11.972 17.486 -31.391 1.00 37.53 O ATOM 1230 CB LEU B 14 10.560 15.166 -29.981 1.00 25.71 C ATOM 1231 CG LEU B 14 9.962 14.871 -28.613 1.00 28.48 C ATOM 1232 CD1 LEU B 14 10.751 13.724 -28.001 1.00 33.68 C ATOM 1233 CD2 LEU B 14 9.971 16.052 -27.642 1.00 30.39 C ATOM 1234 H LEU B 14 8.414 14.964 -31.391 1.00 0.00 H ATOM 1235 N ALA B 15 10.859 16.386 -33.046 1.00 37.39 N ATOM 1236 CA ALA B 15 11.710 16.888 -34.146 1.00 42.57 C ATOM 1237 C ALA B 15 11.783 18.414 -34.189 1.00 46.03 C ATOM 1238 O ALA B 15 12.753 18.951 -34.695 1.00 41.79 O ATOM 1239 CB ALA B 15 11.204 16.378 -35.481 1.00 48.42 C ATOM 1240 H ALA B 15 10.101 15.709 -33.266 1.00 0.00 H ATOM 1241 N GLY B 16 10.754 19.106 -33.671 1.00 40.58 N ATOM 1242 CA GLY B 16 10.700 20.590 -33.678 1.00 36.41 C ATOM 1243 C GLY B 16 10.605 21.168 -35.082 1.00 42.67 C ATOM 1244 O GLY B 16 11.192 22.225 -35.367 1.00 48.41 O ATOM 1245 H GLY B 16 9.963 18.580 -33.248 1.00 0.00 H ATOM 1246 N ALA B 17 9.849 20.479 -35.942 1.00 41.99 N ATOM 1247 CA ALA B 17 9.782 20.775 -37.375 1.00 43.44 C ATOM 1248 C ALA B 17 8.435 21.324 -37.824 1.00 40.09 C ATOM 1249 O ALA B 17 8.344 21.845 -38.921 1.00 47.34 O ATOM 1250 CB ALA B 17 10.107 19.517 -38.172 1.00 55.70 C ATOM 1251 H ALA B 17 9.278 19.691 -35.575 1.00 0.00 H ATOM 1252 N SER B 18 7.413 21.244 -36.972 1.00 40.39 N ATOM 1253 CA SER B 18 6.009 21.381 -37.380 1.00 35.85 C ATOM 1254 C SER B 18 5.256 22.635 -36.879 1.00 30.81 C ATOM 1255 O SER B 18 5.691 23.318 -35.949 1.00 32.32 O ATOM 1256 CB SER B 18 5.264 20.156 -36.885 1.00 49.36 C ATOM 1257 OG SER B 18 5.424 20.054 -35.477 1.00 43.54 O ATOM 1258 HG SER B 18 4.940 19.256 -35.148 1.00 0.00 H ATOM 1259 H SER B 18 7.621 21.076 -35.967 1.00 0.00 H ATOM 1260 N ASN B 19 4.108 22.887 -37.513 1.00 25.63 N ATOM 1261 CA ASN B 19 3.241 24.015 -37.201 1.00 21.27 C ATOM 1262 C ASN B 19 1.983 23.466 -36.571 1.00 16.18 C ATOM 1263 O ASN B 19 1.445 22.450 -37.010 1.00 21.21 O ATOM 1264 CB ASN B 19 2.798 24.762 -38.478 1.00 20.32 C ATOM 1265 CG ASN B 19 3.944 25.261 -39.318 1.00 26.25 C ATOM 1266 OD1 ASN B 19 4.037 24.965 -40.543 1.00 31.81 O ATOM 1267 ND2 ASN B 19 4.813 26.032 -38.702 1.00 20.54 N ATOM 1268 HD22 ASN B 19 4.693 26.247 -37.692 1.00 0.00 H ATOM 1269 HD21 ASN B 19 5.620 26.427 -39.225 1.00 0.00 H ATOM 1270 H ASN B 19 3.816 22.240 -38.274 1.00 0.00 H ATOM 1271 N TRP B 20 1.491 24.186 -35.571 1.00 15.05 N ATOM 1272 CA TRP B 20 0.247 23.876 -34.899 1.00 13.51 C ATOM 1273 C TRP B 20 -0.658 25.098 -35.039 1.00 12.52 C ATOM 1274 O TRP B 20 -0.321 26.199 -34.604 1.00 12.68 O ATOM 1275 CB TRP B 20 0.524 23.512 -33.438 1.00 12.88 C ATOM 1276 CG TRP B 20 1.280 22.237 -33.361 1.00 13.12 C ATOM 1277 CD1 TRP B 20 2.609 22.076 -33.534 1.00 14.80 C ATOM 1278 CD2 TRP B 20 0.746 20.935 -33.105 1.00 14.17 C ATOM 1279 NE1 TRP B 20 2.952 20.747 -33.430 1.00 17.21 N ATOM 1280 CE2 TRP B 20 1.819 20.029 -33.157 1.00 15.28 C ATOM 1281 CE3 TRP B 20 -0.547 20.442 -32.844 1.00 15.04 C ATOM 1282 CZ2 TRP B 20 1.652 18.668 -32.938 1.00 17.02 C ATOM 1283 CZ3 TRP B 20 -0.707 19.075 -32.648 1.00 15.63 C ATOM 1284 CH2 TRP B 20 0.397 18.217 -32.690 1.00 17.45 C ATOM 1285 HE1 TRP B 20 3.909 20.355 -33.540 1.00 0.00 H ATOM 1286 H TRP B 20 2.028 25.018 -35.253 1.00 0.00 H ATOM 1287 N VAL B 21 -1.793 24.890 -35.685 1.00 14.77 N ATOM 1288 CA VAL B 21 -2.638 25.976 -36.124 1.00 15.69 C ATOM 1289 C VAL B 21 -3.975 25.920 -35.417 1.00 12.92 C ATOM 1290 O VAL B 21 -4.681 24.903 -35.470 1.00 16.40 O ATOM 1291 CB VAL B 21 -2.868 25.873 -37.645 1.00 16.77 C ATOM 1292 CG1 VAL B 21 -3.576 27.123 -38.126 1.00 16.19 C ATOM 1293 CG2 VAL B 21 -1.541 25.603 -38.354 1.00 17.43 C ATOM 1294 H VAL B 21 -2.087 23.912 -35.883 1.00 0.00 H ATOM 1295 N ASN B 22 -4.350 27.020 -34.783 1.00 14.51 N ATOM 1296 CA ASN B 22 -5.629 27.061 -34.079 1.00 14.95 C ATOM 1297 C ASN B 22 -6.799 27.517 -34.929 1.00 15.56 C ATOM 1298 O ASN B 22 -6.692 27.736 -36.170 1.00 16.97 O ATOM 1299 CB ASN B 22 -5.518 27.811 -32.743 1.00 16.44 C ATOM 1300 CG ASN B 22 -5.611 29.306 -32.855 1.00 13.88 C ATOM 1301 OD1 ASN B 22 -5.883 29.878 -33.916 1.00 14.74 O ATOM 1302 ND2 ASN B 22 -5.343 29.973 -31.733 1.00 15.35 N ATOM 1303 HD22 ASN B 22 -5.119 29.454 -30.860 1.00 0.00 H ATOM 1304 HD21 ASN B 22 -5.358 31.013 -31.730 1.00 0.00 H ATOM 1305 H ASN B 22 -3.732 27.857 -34.786 1.00 0.00 H ATOM 1306 N GLN B 23 -7.935 27.610 -34.263 1.00 19.04 N ATOM 1307 CA GLN B 23 -9.196 27.802 -34.940 1.00 20.41 C ATOM 1308 C GLN B 23 -9.230 29.158 -35.674 1.00 18.20 C ATOM 1309 O GLN B 23 -9.983 29.310 -36.604 1.00 21.71 O ATOM 1310 CB GLN B 23 -10.359 27.639 -33.938 1.00 24.07 C ATOM 1311 CG GLN B 23 -10.379 28.628 -32.745 1.00 23.34 C ATOM 1312 CD GLN B 23 -9.313 28.401 -31.652 1.00 28.31 C ATOM 1313 OE1 GLN B 23 -8.700 27.350 -31.567 1.00 21.03 O ATOM 1314 NE2 GLN B 23 -9.112 29.414 -30.807 1.00 26.86 N ATOM 1315 HE22 GLN B 23 -9.655 30.295 -30.912 1.00 0.00 H ATOM 1316 HE21 GLN B 23 -8.412 29.323 -30.043 1.00 0.00 H ATOM 1317 H GLN B 23 -7.921 27.543 -33.225 1.00 0.00 H ATOM 1318 N SER B 24 -8.407 30.126 -35.255 1.00 16.65 N ATOM 1319 CA SER B 24 -8.322 31.422 -35.914 1.00 15.54 C ATOM 1320 C SER B 24 -7.150 31.588 -36.879 1.00 14.06 C ATOM 1321 O SER B 24 -6.976 32.656 -37.471 1.00 14.79 O ATOM 1322 CB SER B 24 -8.273 32.553 -34.878 1.00 21.81 C ATOM 1323 OG SER B 24 -9.351 32.443 -33.984 1.00 20.74 O ATOM 1324 HG SER B 24 -10.202 32.501 -34.486 1.00 0.00 H ATOM 1325 H SER B 24 -7.805 29.946 -34.427 1.00 0.00 H ATOM 1326 N GLY B 25 -6.371 30.532 -37.042 1.00 12.51 N ATOM 1327 CA GLY B 25 -5.193 30.566 -37.878 1.00 12.00 C ATOM 1328 C GLY B 25 -3.928 31.047 -37.214 1.00 12.84 C ATOM 1329 O GLY B 25 -2.924 31.205 -37.900 1.00 14.58 O ATOM 1330 H GLY B 25 -6.614 29.647 -36.552 1.00 0.00 H ATOM 1331 N SER B 26 -3.940 31.237 -35.889 1.00 13.03 N ATOM 1332 CA SER B 26 -2.717 31.516 -35.163 1.00 14.10 C ATOM 1333 C SER B 26 -1.851 30.263 -35.209 1.00 12.42 C ATOM 1334 O SER B 26 -2.367 29.146 -35.194 1.00 13.53 O ATOM 1335 CB SER B 26 -3.013 31.872 -33.687 1.00 10.96 C ATOM 1336 OG SER B 26 -3.840 33.025 -33.537 1.00 12.59 O ATOM 1337 HG SER B 26 -3.991 33.198 -32.574 1.00 0.00 H ATOM 1338 H SER B 26 -4.841 31.184 -35.372 1.00 0.00 H ATOM 1339 N VAL B 27 -0.534 30.450 -35.219 1.00 11.13 N ATOM 1340 CA VAL B 27 0.424 29.373 -35.416 1.00 12.63 C ATOM 1341 C VAL B 27 1.481 29.299 -34.317 1.00 12.68 C ATOM 1342 O VAL B 27 2.164 30.281 -34.009 1.00 13.02 O ATOM 1343 CB VAL B 27 1.136 29.510 -36.791 1.00 11.65 C ATOM 1344 CG1 VAL B 27 2.105 28.368 -37.032 1.00 14.31 C ATOM 1345 CG2 VAL B 27 0.085 29.583 -37.929 1.00 11.77 C ATOM 1346 H VAL B 27 -0.171 31.414 -35.079 1.00 0.00 H ATOM 1347 N ALA B 28 1.586 28.112 -33.713 1.00 12.23 N ATOM 1348 CA ALA B 28 2.636 27.826 -32.761 1.00 12.20 C ATOM 1349 C ALA B 28 3.651 26.911 -33.403 1.00 12.95 C ATOM 1350 O ALA B 28 3.294 25.859 -33.969 1.00 16.02 O ATOM 1351 CB ALA B 28 2.067 27.209 -31.469 1.00 12.58 C ATOM 1352 H ALA B 28 0.891 27.371 -33.934 1.00 0.00 H ATOM 1353 N GLN B 29 4.920 27.309 -33.316 1.00 12.90 N ATOM 1354 CA GLN B 29 6.040 26.525 -33.864 1.00 13.03 C ATOM 1355 C GLN B 29 6.940 26.160 -32.684 1.00 13.06 C ATOM 1356 O GLN B 29 7.639 27.013 -32.169 1.00 16.43 O ATOM 1357 CB GLN B 29 6.794 27.408 -34.846 1.00 14.26 C ATOM 1358 CG GLN B 29 5.908 27.949 -35.974 1.00 20.20 C ATOM 1359 CD GLN B 29 6.616 28.867 -36.981 1.00 21.52 C ATOM 1360 OE1 GLN B 29 7.531 29.611 -36.633 1.00 24.55 O ATOM 1361 NE2 GLN B 29 6.146 28.840 -38.259 1.00 26.22 N ATOM 1362 HE22 GLN B 29 5.370 28.196 -38.514 1.00 0.00 H ATOM 1363 HE21 GLN B 29 6.563 29.463 -38.980 1.00 0.00 H ATOM 1364 H GLN B 29 5.128 28.211 -32.841 1.00 0.00 H ATOM 1365 N PHE B 30 6.861 24.915 -32.209 1.00 13.31 N ATOM 1366 CA PHE B 30 7.566 24.473 -30.996 1.00 12.86 C ATOM 1367 C PHE B 30 8.933 23.907 -31.308 1.00 14.43 C ATOM 1368 O PHE B 30 9.117 23.265 -32.350 1.00 16.79 O ATOM 1369 CB PHE B 30 6.765 23.367 -30.319 1.00 13.25 C ATOM 1370 CG PHE B 30 5.391 23.772 -29.917 1.00 11.29 C ATOM 1371 CD1 PHE B 30 5.194 24.760 -28.956 1.00 11.74 C ATOM 1372 CD2 PHE B 30 4.274 23.167 -30.453 1.00 12.60 C ATOM 1373 CE1 PHE B 30 3.902 25.117 -28.543 1.00 11.92 C ATOM 1374 CE2 PHE B 30 2.988 23.535 -30.040 1.00 13.34 C ATOM 1375 CZ PHE B 30 2.802 24.514 -29.082 1.00 12.08 C ATOM 1376 H PHE B 30 6.274 24.226 -32.720 1.00 0.00 H ATOM 1377 N VAL B 31 9.867 24.184 -30.403 1.00 12.81 N ATOM 1378 CA VAL B 31 11.195 23.614 -30.394 1.00 14.64 C ATOM 1379 C VAL B 31 11.400 23.066 -28.987 1.00 14.33 C ATOM 1380 O VAL B 31 11.073 23.744 -28.000 1.00 14.83 O ATOM 1381 CB VAL B 31 12.249 24.656 -30.753 1.00 16.22 C ATOM 1382 CG1 VAL B 31 13.654 24.095 -30.580 1.00 17.13 C ATOM 1383 CG2 VAL B 31 12.049 25.172 -32.180 1.00 18.16 C ATOM 1384 H VAL B 31 9.625 24.858 -29.649 1.00 0.00 H ATOM 1385 N PHE B 32 11.932 21.848 -28.903 1.00 15.63 N ATOM 1386 CA PHE B 32 12.139 21.138 -27.625 1.00 14.05 C ATOM 1387 C PHE B 32 13.625 20.855 -27.373 1.00 13.25 C ATOM 1388 O PHE B 32 14.359 20.576 -28.312 1.00 19.15 O ATOM 1389 CB PHE B 32 11.366 19.816 -27.663 1.00 14.07 C ATOM 1390 CG PHE B 32 9.893 19.984 -27.913 1.00 13.95 C ATOM 1391 CD1 PHE B 32 9.039 20.288 -26.870 1.00 16.15 C ATOM 1392 CD2 PHE B 32 9.367 19.936 -29.214 1.00 18.13 C ATOM 1393 CE1 PHE B 32 7.676 20.464 -27.080 1.00 16.38 C ATOM 1394 CE2 PHE B 32 8.020 20.135 -29.443 1.00 16.07 C ATOM 1395 CZ PHE B 32 7.159 20.386 -28.373 1.00 15.26 C ATOM 1396 H PHE B 32 12.216 21.372 -29.783 1.00 0.00 H ATOM 1397 N THR B 33 14.075 20.961 -26.117 1.00 12.38 N ATOM 1398 CA THR B 33 15.456 20.652 -25.714 1.00 13.12 C ATOM 1399 C THR B 33 15.324 19.916 -24.372 1.00 13.79 C ATOM 1400 O THR B 33 14.481 20.307 -23.561 1.00 13.74 O ATOM 1401 CB THR B 33 16.317 21.909 -25.440 1.00 20.50 C ATOM 1402 OG1 THR B 33 16.025 22.911 -26.394 1.00 28.72 O ATOM 1403 CG2 THR B 33 17.815 21.560 -25.555 1.00 23.85 C ATOM 1404 HG1 THR B 33 15.067 23.152 -26.335 1.00 0.00 H ATOM 1405 H THR B 33 13.410 21.280 -25.384 1.00 0.00 H ATOM 1406 N PRO B 34 16.084 18.817 -24.164 1.00 12.35 N ATOM 1407 CA PRO B 34 15.924 18.129 -22.886 1.00 12.29 C ATOM 1408 C PRO B 34 16.127 19.023 -21.663 1.00 10.90 C ATOM 1409 O PRO B 34 17.056 19.849 -21.620 1.00 12.17 O ATOM 1410 CB PRO B 34 16.965 16.996 -22.952 1.00 13.70 C ATOM 1411 CG PRO B 34 17.157 16.761 -24.451 1.00 14.35 C ATOM 1412 CD PRO B 34 17.063 18.146 -25.035 1.00 14.51 C ATOM 1413 N SER B 35 15.296 18.807 -20.636 1.00 11.82 N ATOM 1414 CA SER B 35 15.439 19.570 -19.422 1.00 14.07 C ATOM 1415 C SER B 35 16.775 19.196 -18.772 1.00 13.26 C ATOM 1416 O SER B 35 17.112 18.028 -18.679 1.00 13.57 O ATOM 1417 CB SER B 35 14.320 19.257 -18.435 1.00 13.20 C ATOM 1418 OG SER B 35 14.663 19.779 -17.160 1.00 13.52 O ATOM 1419 HG SER B 35 14.783 20.759 -17.227 1.00 0.00 H ATOM 1420 H SER B 35 14.548 18.089 -20.714 1.00 0.00 H ATOM 1421 N PRO B 36 17.507 20.183 -18.264 1.00 15.17 N ATOM 1422 CA PRO B 36 18.767 19.844 -17.586 1.00 16.05 C ATOM 1423 C PRO B 36 18.605 19.003 -16.330 1.00 13.91 C ATOM 1424 O PRO B 36 19.516 18.265 -15.992 1.00 14.53 O ATOM 1425 CB PRO B 36 19.340 21.210 -17.206 1.00 18.20 C ATOM 1426 CG PRO B 36 18.678 22.170 -18.126 1.00 22.43 C ATOM 1427 CD PRO B 36 17.304 21.643 -18.384 1.00 18.90 C ATOM 1428 N THR B 37 17.461 19.112 -15.656 1.00 14.42 N ATOM 1429 CA THR B 37 17.285 18.460 -14.343 1.00 13.76 C ATOM 1430 C THR B 37 16.001 17.623 -14.166 1.00 14.28 C ATOM 1431 O THR B 37 15.912 16.813 -13.236 1.00 15.73 O ATOM 1432 CB THR B 37 17.322 19.474 -13.166 1.00 14.64 C ATOM 1433 OG1 THR B 37 16.089 20.197 -13.112 1.00 17.84 O ATOM 1434 CG2 THR B 37 18.479 20.445 -13.289 1.00 20.66 C ATOM 1435 HG1 THR B 37 15.957 20.686 -13.963 1.00 0.00 H ATOM 1436 H THR B 37 16.679 19.665 -16.061 1.00 0.00 H ATOM 1437 N GLN B 38 15.020 17.770 -15.052 1.00 11.49 N ATOM 1438 CA GLN B 38 13.761 17.105 -14.843 1.00 10.48 C ATOM 1439 C GLN B 38 13.622 15.884 -15.749 1.00 10.42 C ATOM 1440 O GLN B 38 13.614 16.028 -16.979 1.00 10.63 O ATOM 1441 CB GLN B 38 12.576 18.074 -15.081 1.00 10.67 C ATOM 1442 CG GLN B 38 12.594 19.300 -14.203 1.00 10.73 C ATOM 1443 CD GLN B 38 11.355 20.143 -14.409 1.00 10.85 C ATOM 1444 OE1 GLN B 38 11.378 21.160 -15.129 1.00 13.56 O ATOM 1445 NE2 GLN B 38 10.250 19.719 -13.821 1.00 12.07 N ATOM 1446 HE22 GLN B 38 10.272 18.865 -13.227 1.00 0.00 H ATOM 1447 HE21 GLN B 38 9.359 20.239 -13.952 1.00 0.00 H ATOM 1448 H GLN B 38 15.162 18.364 -15.894 1.00 0.00 H ATOM 1449 N PRO B 39 13.410 14.698 -15.167 1.00 11.50 N ATOM 1450 CA PRO B 39 13.226 13.548 -16.067 1.00 9.81 C ATOM 1451 C PRO B 39 11.987 13.683 -16.936 1.00 10.53 C ATOM 1452 O PRO B 39 10.978 14.237 -16.484 1.00 12.25 O ATOM 1453 CB PRO B 39 13.058 12.374 -15.088 1.00 11.77 C ATOM 1454 CG PRO B 39 13.726 12.810 -13.848 1.00 14.15 C ATOM 1455 CD PRO B 39 13.496 14.284 -13.746 1.00 14.17 C ATOM 1456 N GLN B 40 12.092 13.202 -18.184 1.00 10.42 N ATOM 1457 CA GLN B 40 10.958 13.084 -19.103 1.00 12.38 C ATOM 1458 C GLN B 40 10.331 14.433 -19.404 1.00 11.44 C ATOM 1459 O GLN B 40 9.150 14.531 -19.701 1.00 12.20 O ATOM 1460 CB GLN B 40 9.877 12.106 -18.631 1.00 13.90 C ATOM 1461 CG GLN B 40 10.375 10.698 -18.242 1.00 14.04 C ATOM 1462 CD GLN B 40 9.233 9.852 -17.765 1.00 16.38 C ATOM 1463 OE1 GLN B 40 9.070 9.622 -16.566 1.00 23.46 O ATOM 1464 NE2 GLN B 40 8.375 9.447 -18.701 1.00 17.42 N ATOM 1465 HE22 GLN B 40 8.556 9.665 -19.702 1.00 0.00 H ATOM 1466 HE21 GLN B 40 7.525 8.913 -18.431 1.00 0.00 H ATOM 1467 H GLN B 40 13.029 12.897 -18.517 1.00 0.00 H ATOM 1468 N THR B 41 11.164 15.456 -19.387 1.00 10.92 N ATOM 1469 CA THR B 41 10.716 16.813 -19.519 1.00 10.98 C ATOM 1470 C THR B 41 11.615 17.542 -20.502 1.00 11.73 C ATOM 1471 O THR B 41 12.835 17.274 -20.576 1.00 10.58 O ATOM 1472 CB THR B 41 10.764 17.537 -18.157 1.00 10.33 C ATOM 1473 OG1 THR B 41 9.932 16.849 -17.223 1.00 10.89 O ATOM 1474 CG2 THR B 41 10.246 18.931 -18.241 1.00 10.68 C ATOM 1475 HG1 THR B 41 10.257 15.920 -17.115 1.00 0.00 H ATOM 1476 H THR B 41 12.181 15.272 -19.274 1.00 0.00 H ATOM 1477 N TYR B 42 11.004 18.484 -21.226 1.00 11.38 N ATOM 1478 CA TYR B 42 11.717 19.281 -22.235 1.00 11.15 C ATOM 1479 C TYR B 42 11.431 20.738 -21.979 1.00 10.82 C ATOM 1480 O TYR B 42 10.282 21.101 -21.642 1.00 11.35 O ATOM 1481 CB TYR B 42 11.250 18.930 -23.658 1.00 10.86 C ATOM 1482 CG TYR B 42 11.678 17.536 -24.070 1.00 12.62 C ATOM 1483 CD1 TYR B 42 10.963 16.413 -23.668 1.00 14.55 C ATOM 1484 CD2 TYR B 42 12.821 17.356 -24.819 1.00 13.42 C ATOM 1485 CE1 TYR B 42 11.391 15.140 -24.013 1.00 16.30 C ATOM 1486 CE2 TYR B 42 13.253 16.113 -25.183 1.00 16.43 C ATOM 1487 CZ TYR B 42 12.530 15.003 -24.776 1.00 18.59 C ATOM 1488 OH TYR B 42 12.964 13.756 -25.141 1.00 21.14 O ATOM 1489 HH TYR B 42 12.347 13.073 -24.777 1.00 0.00 H ATOM 1490 H TYR B 42 9.991 18.659 -21.071 1.00 0.00 H ATOM 1491 N GLU B 43 12.443 21.568 -22.200 1.00 10.87 N ATOM 1492 CA GLU B 43 12.244 23.010 -22.267 1.00 12.13 C ATOM 1493 C GLU B 43 11.661 23.325 -23.633 1.00 11.47 C ATOM 1494 O GLU B 43 12.102 22.790 -24.642 1.00 14.94 O ATOM 1495 CB GLU B 43 13.567 23.735 -22.096 1.00 14.27 C ATOM 1496 CG GLU B 43 14.215 23.519 -20.735 1.00 19.93 C ATOM 1497 CD GLU B 43 15.550 24.236 -20.579 1.00 27.48 C ATOM 1498 OE1 GLU B 43 16.231 24.498 -21.592 1.00 35.65 O ATOM 1499 OE2 GLU B 43 15.912 24.547 -19.420 1.00 32.80 O ATOM 1500 H GLU B 43 13.400 21.180 -22.328 1.00 0.00 H ATOM 1501 N VAL B 44 10.639 24.175 -23.653 1.00 12.19 N ATOM 1502 CA VAL B 44 9.964 24.559 -24.906 1.00 11.26 C ATOM 1503 C VAL B 44 10.392 25.953 -25.293 1.00 10.34 C ATOM 1504 O VAL B 44 10.377 26.890 -24.483 1.00 11.94 O ATOM 1505 CB VAL B 44 8.439 24.497 -24.770 1.00 12.52 C ATOM 1506 CG1 VAL B 44 7.748 24.789 -26.083 1.00 16.36 C ATOM 1507 CG2 VAL B 44 7.999 23.103 -24.292 1.00 14.95 C ATOM 1508 H VAL B 44 10.305 24.582 -22.756 1.00 0.00 H ATOM 1509 N SER B 45 10.774 26.073 -26.554 1.00 11.75 N ATOM 1510 CA SER B 45 11.050 27.366 -27.166 1.00 10.89 C ATOM 1511 C SER B 45 10.343 27.388 -28.511 1.00 10.12 C ATOM 1512 O SER B 45 9.536 26.504 -28.822 1.00 12.17 O ATOM 1513 CB SER B 45 12.580 27.579 -27.257 1.00 12.43 C ATOM 1514 OG SER B 45 13.239 26.584 -28.055 1.00 15.80 O ATOM 1515 HG SER B 45 13.082 25.690 -27.661 1.00 0.00 H ATOM 1516 H SER B 45 10.881 25.213 -27.129 1.00 0.00 H ATOM 1517 N GLY B 46 10.632 28.394 -29.332 1.00 11.82 N ATOM 1518 CA GLY B 46 9.947 28.535 -30.626 1.00 11.53 C ATOM 1519 C GLY B 46 9.266 29.881 -30.764 1.00 11.82 C ATOM 1520 O GLY B 46 9.587 30.810 -30.037 1.00 13.15 O ATOM 1521 H GLY B 46 11.353 29.091 -29.055 1.00 0.00 H ATOM 1522 N ASN B 47 8.299 29.969 -31.675 1.00 12.29 N ATOM 1523 CA ASN B 47 7.612 31.214 -31.968 1.00 8.51 C ATOM 1524 C ASN B 47 6.126 30.999 -32.174 1.00 10.21 C ATOM 1525 O ASN B 47 5.641 29.901 -32.562 1.00 11.70 O ATOM 1526 CB ASN B 47 8.201 31.861 -33.224 1.00 6.88 C ATOM 1527 CG ASN B 47 9.629 32.271 -33.036 1.00 7.42 C ATOM 1528 OD1 ASN B 47 9.937 33.155 -32.243 1.00 9.34 O ATOM 1529 ND2 ASN B 47 10.505 31.596 -33.716 1.00 8.76 N ATOM 1530 HD22 ASN B 47 10.193 30.856 -34.376 1.00 0.00 H ATOM 1531 HD21 ASN B 47 11.519 31.795 -33.600 1.00 0.00 H ATOM 1532 H ASN B 47 8.025 29.112 -32.197 1.00 0.00 H ATOM 1533 N TYR B 48 5.386 32.065 -31.940 1.00 10.76 N ATOM 1534 CA TYR B 48 3.950 32.054 -32.052 1.00 11.91 C ATOM 1535 C TYR B 48 3.577 33.231 -32.932 1.00 12.26 C ATOM 1536 O TYR B 48 4.071 34.365 -32.739 1.00 11.51 O ATOM 1537 CB TYR B 48 3.322 32.222 -30.664 1.00 12.32 C ATOM 1538 CG TYR B 48 1.806 32.041 -30.621 1.00 12.84 C ATOM 1539 CD1 TYR B 48 0.948 33.085 -30.911 1.00 12.50 C ATOM 1540 CD2 TYR B 48 1.250 30.792 -30.284 1.00 10.44 C ATOM 1541 CE1 TYR B 48 -0.438 32.897 -30.869 1.00 13.09 C ATOM 1542 CE2 TYR B 48 -0.113 30.592 -30.243 1.00 11.31 C ATOM 1543 CZ TYR B 48 -0.962 31.632 -30.530 1.00 14.50 C ATOM 1544 OH TYR B 48 -2.324 31.434 -30.462 1.00 16.83 O ATOM 1545 HH TYR B 48 -2.791 32.275 -30.696 1.00 0.00 H ATOM 1546 H TYR B 48 5.858 32.949 -31.663 1.00 0.00 H ATOM 1547 N ILE B 49 2.723 32.959 -33.911 1.00 12.43 N ATOM 1548 CA ILE B 49 2.203 33.983 -34.812 1.00 10.98 C ATOM 1549 C ILE B 49 0.703 34.112 -34.556 1.00 10.25 C ATOM 1550 O ILE B 49 -0.065 33.204 -34.789 1.00 11.38 O ATOM 1551 CB ILE B 49 2.481 33.710 -36.299 1.00 14.06 C ATOM 1552 CG1 ILE B 49 4.003 33.645 -36.570 1.00 15.52 C ATOM 1553 CG2 ILE B 49 1.878 34.845 -37.133 1.00 14.31 C ATOM 1554 CD1 ILE B 49 4.655 32.297 -36.509 1.00 20.01 C ATOM 1555 H ILE B 49 2.411 31.975 -34.042 1.00 0.00 H ATOM 1556 N ASN B 50 0.315 35.233 -33.989 1.00 10.42 N ATOM 1557 CA ASN B 50 -1.096 35.475 -33.639 1.00 11.77 C ATOM 1558 C ASN B 50 -1.949 35.941 -34.824 1.00 12.36 C ATOM 1559 O ASN B 50 -1.558 36.821 -35.584 1.00 12.43 O ATOM 1560 CB ASN B 50 -1.131 36.502 -32.515 1.00 12.06 C ATOM 1561 CG ASN B 50 -2.524 36.925 -32.099 1.00 11.31 C ATOM 1562 OD1 ASN B 50 -3.384 36.112 -31.838 1.00 13.12 O ATOM 1563 ND2 ASN B 50 -2.735 38.241 -31.998 1.00 12.66 N ATOM 1564 HD22 ASN B 50 -1.973 38.909 -32.231 1.00 0.00 H ATOM 1565 HD21 ASN B 50 -3.661 38.597 -31.687 1.00 0.00 H ATOM 1566 H ASN B 50 1.022 35.968 -33.782 1.00 0.00 H ATOM 1567 N ASN B 51 -3.156 35.389 -34.856 1.00 12.34 N ATOM 1568 CA ASN B 51 -4.193 35.763 -35.775 1.00 12.01 C ATOM 1569 C ASN B 51 -5.590 35.905 -35.153 1.00 13.47 C ATOM 1570 O ASN B 51 -6.573 35.932 -35.882 1.00 16.77 O ATOM 1571 CB ASN B 51 -4.231 34.815 -36.986 1.00 11.38 C ATOM 1572 CG ASN B 51 -4.820 35.496 -38.214 1.00 13.38 C ATOM 1573 OD1 ASN B 51 -4.560 36.687 -38.454 1.00 14.46 O ATOM 1574 ND2 ASN B 51 -5.637 34.774 -38.977 1.00 15.93 N ATOM 1575 HD22 ASN B 51 -5.827 33.780 -38.739 1.00 0.00 H ATOM 1576 HD21 ASN B 51 -6.085 35.204 -39.811 1.00 0.00 H ATOM 1577 H ASN B 51 -3.364 34.636 -34.170 1.00 0.00 H ATOM 1578 N ALA B 52 -5.682 35.979 -33.816 1.00 11.96 N ATOM 1579 CA ALA B 52 -6.953 35.994 -33.156 1.00 13.26 C ATOM 1580 C ALA B 52 -7.767 37.240 -33.503 1.00 12.85 C ATOM 1581 O ALA B 52 -7.276 38.380 -33.476 1.00 16.28 O ATOM 1582 CB ALA B 52 -6.772 35.804 -31.645 1.00 15.16 C ATOM 1583 H ALA B 52 -4.812 36.026 -33.248 1.00 0.00 H ATOM 1584 N GLN B 53 -9.027 37.009 -33.867 1.00 16.14 N ATOM 1585 CA GLN B 53 -9.890 38.093 -34.304 1.00 16.97 C ATOM 1586 C GLN B 53 -9.969 39.210 -33.293 1.00 17.23 C ATOM 1587 O GLN B 53 -10.217 38.966 -32.102 1.00 21.11 O ATOM 1588 CB GLN B 53 -11.298 37.577 -34.618 1.00 20.35 C ATOM 1589 CG GLN B 53 -11.342 36.662 -35.818 1.00 20.55 C ATOM 1590 CD GLN B 53 -11.253 35.214 -35.429 1.00 24.43 C ATOM 1591 OE1 GLN B 53 -10.444 34.848 -34.571 1.00 25.09 O ATOM 1592 NE2 GLN B 53 -12.103 34.373 -36.032 1.00 27.77 N ATOM 1593 HE22 GLN B 53 -12.766 34.730 -36.749 1.00 0.00 H ATOM 1594 HE21 GLN B 53 -12.100 33.363 -35.783 1.00 0.00 H ATOM 1595 H GLN B 53 -9.399 36.038 -33.838 1.00 0.00 H ATOM 1596 N GLY B 54 -9.772 40.438 -33.768 1.00 18.65 N ATOM 1597 CA GLY B 54 -9.911 41.623 -32.948 1.00 20.29 C ATOM 1598 C GLY B 54 -8.766 41.966 -32.024 1.00 17.50 C ATOM 1599 O GLY B 54 -8.843 42.946 -31.264 1.00 22.62 O ATOM 1600 H GLY B 54 -9.508 40.550 -34.768 1.00 0.00 H ATOM 1601 N THR B 55 -7.702 41.175 -32.083 1.00 17.01 N ATOM 1602 CA THR B 55 -6.557 41.372 -31.202 1.00 17.72 C ATOM 1603 C THR B 55 -5.422 42.147 -31.873 1.00 15.97 C ATOM 1604 O THR B 55 -5.323 42.214 -33.087 1.00 18.87 O ATOM 1605 CB THR B 55 -6.038 40.045 -30.616 1.00 18.39 C ATOM 1606 OG1 THR B 55 -5.441 39.230 -31.629 1.00 17.06 O ATOM 1607 CG2 THR B 55 -7.167 39.275 -29.959 1.00 21.20 C ATOM 1608 HG1 THR B 55 -6.114 39.026 -32.326 1.00 0.00 H ATOM 1609 H THR B 55 -7.684 40.397 -32.773 1.00 0.00 H ATOM 1610 N GLY B 56 -4.549 42.693 -31.037 1.00 17.78 N ATOM 1611 CA GLY B 56 -3.345 43.333 -31.488 1.00 18.52 C ATOM 1612 C GLY B 56 -2.254 42.300 -31.685 1.00 15.33 C ATOM 1613 O GLY B 56 -2.474 41.086 -31.516 1.00 17.38 O ATOM 1614 H GLY B 56 -4.744 42.656 -30.016 1.00 0.00 H ATOM 1615 N CYS B 57 -1.088 42.775 -32.108 1.00 15.19 N ATOM 1616 CA CYS B 57 0.091 41.929 -32.237 1.00 13.72 C ATOM 1617 C CYS B 57 -0.143 40.712 -33.137 1.00 14.43 C ATOM 1618 O CYS B 57 0.287 39.588 -32.852 1.00 15.85 O ATOM 1619 CB CYS B 57 0.577 41.519 -30.837 1.00 14.11 C ATOM 1620 SG CYS B 57 1.225 42.937 -29.898 1.00 14.35 S ATOM 1621 H CYS B 57 -1.014 43.783 -32.355 1.00 0.00 H ATOM 1622 N LYS B 58 -0.807 40.951 -34.258 1.00 15.75 N ATOM 1623 CA LYS B 58 -1.031 39.890 -35.227 1.00 15.30 C ATOM 1624 C LYS B 58 0.063 39.854 -36.295 1.00 16.59 C ATOM 1625 O LYS B 58 0.639 40.895 -36.692 1.00 18.05 O ATOM 1626 CB LYS B 58 -2.321 40.108 -35.972 1.00 18.64 C ATOM 1627 CG LYS B 58 -3.625 39.876 -35.252 1.00 20.83 C ATOM 1628 CD LYS B 58 -4.677 39.888 -36.329 1.00 27.26 C ATOM 1629 CE LYS B 58 -6.061 40.141 -35.811 1.00 31.76 C ATOM 1630 NZ LYS B 58 -6.288 41.580 -35.571 1.00 35.14 N ATOM 1631 HZ1 LYS B 58 -5.603 41.925 -34.869 1.00 0.00 H ATOM 1632 HZ2 LYS B 58 -6.167 42.102 -36.462 1.00 0.00 H ATOM 1633 HZ3 LYS B 58 -7.254 41.722 -35.213 1.00 0.00 H ATOM 1634 H LYS B 58 -1.172 41.906 -34.447 1.00 0.00 H ATOM 1635 N GLY B 59 0.304 38.640 -36.785 1.00 15.94 N ATOM 1636 CA GLY B 59 1.045 38.454 -38.026 1.00 16.21 C ATOM 1637 C GLY B 59 2.568 38.565 -37.937 1.00 14.62 C ATOM 1638 O GLY B 59 3.216 38.736 -38.973 1.00 19.99 O ATOM 1639 H GLY B 59 -0.044 37.806 -36.271 1.00 0.00 H ATOM 1640 N THR B 60 3.143 38.555 -36.729 1.00 14.51 N ATOM 1641 CA THR B 60 4.603 38.547 -36.579 1.00 15.21 C ATOM 1642 C THR B 60 5.015 37.543 -35.509 1.00 15.07 C ATOM 1643 O THR B 60 4.259 37.291 -34.590 1.00 13.65 O ATOM 1644 CB THR B 60 5.227 39.931 -36.210 1.00 15.12 C ATOM 1645 OG1 THR B 60 4.749 40.371 -34.938 1.00 17.41 O ATOM 1646 CG2 THR B 60 4.828 40.969 -37.230 1.00 17.57 C ATOM 1647 HG1 THR B 60 3.763 40.460 -34.970 1.00 0.00 H ATOM 1648 H THR B 60 2.543 38.553 -35.879 1.00 0.00 H ATOM 1649 N PRO B 61 6.238 37.012 -35.613 1.00 15.22 N ATOM 1650 CA PRO B 61 6.617 36.004 -34.636 1.00 13.45 C ATOM 1651 C PRO B 61 6.932 36.594 -33.283 1.00 12.74 C ATOM 1652 O PRO B 61 7.701 37.553 -33.178 1.00 16.48 O ATOM 1653 CB PRO B 61 7.871 35.360 -35.249 1.00 14.97 C ATOM 1654 CG PRO B 61 7.799 35.687 -36.698 1.00 18.78 C ATOM 1655 CD PRO B 61 7.138 37.005 -36.788 1.00 18.27 C ATOM 1656 N TYR B 62 6.374 35.963 -32.261 1.00 11.92 N ATOM 1657 CA TYR B 62 6.748 36.207 -30.866 1.00 10.61 C ATOM 1658 C TYR B 62 7.356 34.968 -30.244 1.00 10.90 C ATOM 1659 O TYR B 62 6.799 33.883 -30.377 1.00 12.64 O ATOM 1660 CB TYR B 62 5.520 36.623 -30.062 1.00 9.05 C ATOM 1661 CG TYR B 62 5.052 38.016 -30.385 1.00 10.98 C ATOM 1662 CD1 TYR B 62 4.188 38.234 -31.477 1.00 10.97 C ATOM 1663 CD2 TYR B 62 5.463 39.133 -29.658 1.00 10.82 C ATOM 1664 CE1 TYR B 62 3.745 39.476 -31.806 1.00 11.80 C ATOM 1665 CE2 TYR B 62 5.026 40.413 -30.018 1.00 11.45 C ATOM 1666 CZ TYR B 62 4.193 40.573 -31.108 1.00 13.62 C ATOM 1667 OH TYR B 62 3.770 41.824 -31.475 1.00 13.92 O ATOM 1668 HH TYR B 62 4.555 42.386 -31.691 1.00 0.00 H ATOM 1669 H TYR B 62 5.634 35.260 -32.459 1.00 0.00 H ATOM 1670 N PRO B 63 8.512 35.108 -29.561 1.00 13.66 N ATOM 1671 CA PRO B 63 9.041 33.936 -28.907 1.00 13.19 C ATOM 1672 C PRO B 63 8.099 33.356 -27.878 1.00 13.36 C ATOM 1673 O PRO B 63 7.343 34.110 -27.251 1.00 13.19 O ATOM 1674 CB PRO B 63 10.299 34.447 -28.213 1.00 12.21 C ATOM 1675 CG PRO B 63 10.710 35.647 -28.999 1.00 13.03 C ATOM 1676 CD PRO B 63 9.431 36.250 -29.472 1.00 13.30 C ATOM 1677 N LEU B 64 8.129 32.030 -27.750 1.00 12.19 N ATOM 1678 CA LEU B 64 7.393 31.362 -26.703 1.00 13.92 C ATOM 1679 C LEU B 64 8.341 30.541 -25.834 1.00 10.84 C ATOM 1680 O LEU B 64 9.463 30.218 -26.249 1.00 14.38 O ATOM 1681 CB LEU B 64 6.246 30.536 -27.284 1.00 15.90 C ATOM 1682 CG LEU B 64 6.656 29.323 -28.102 1.00 13.82 C ATOM 1683 CD1 LEU B 64 6.896 28.097 -27.263 1.00 16.53 C ATOM 1684 CD2 LEU B 64 5.598 29.013 -29.114 1.00 17.89 C ATOM 1685 H LEU B 64 8.693 31.466 -28.417 1.00 0.00 H ATOM 1686 N SER B 65 7.952 30.385 -24.564 1.00 9.50 N ATOM 1687 CA SER B 65 8.705 29.571 -23.643 1.00 12.48 C ATOM 1688 C SER B 65 7.832 28.780 -22.706 1.00 11.71 C ATOM 1689 O SER B 65 6.771 29.185 -22.329 1.00 14.06 O ATOM 1690 CB SER B 65 9.679 30.395 -22.829 1.00 20.14 C ATOM 1691 OG SER B 65 8.948 31.249 -22.036 1.00 26.86 O ATOM 1692 HG SER B 65 8.395 31.837 -22.609 1.00 0.00 H ATOM 1693 H SER B 65 7.088 30.861 -24.234 1.00 0.00 H ATOM 1694 N GLY B 66 8.325 27.630 -22.311 1.00 13.23 N ATOM 1695 CA GLY B 66 7.627 26.821 -21.338 1.00 14.66 C ATOM 1696 C GLY B 66 8.273 25.474 -21.181 1.00 12.01 C ATOM 1697 O GLY B 66 9.499 25.334 -21.329 1.00 11.65 O ATOM 1698 H GLY B 66 9.229 27.297 -22.703 1.00 0.00 H ATOM 1699 N ALA B 67 7.443 24.481 -20.877 1.00 11.49 N ATOM 1700 CA ALA B 67 7.934 23.153 -20.529 1.00 11.96 C ATOM 1701 C ALA B 67 6.915 22.091 -20.970 1.00 11.27 C ATOM 1702 O ALA B 67 5.700 22.341 -21.057 1.00 9.87 O ATOM 1703 CB ALA B 67 8.250 23.054 -19.030 1.00 12.45 C ATOM 1704 H ALA B 67 6.418 24.656 -20.888 1.00 0.00 H ATOM 1705 N TYR B 68 7.435 20.917 -21.306 1.00 9.36 N ATOM 1706 CA TYR B 68 6.676 19.835 -21.924 1.00 9.15 C ATOM 1707 C TYR B 68 7.067 18.537 -21.210 1.00 9.44 C ATOM 1708 O TYR B 68 8.251 18.290 -20.962 1.00 9.99 O ATOM 1709 CB TYR B 68 7.044 19.727 -23.413 1.00 9.93 C ATOM 1710 CG TYR B 68 6.518 18.481 -24.110 1.00 10.45 C ATOM 1711 CD1 TYR B 68 5.162 18.336 -24.392 1.00 10.44 C ATOM 1712 CD2 TYR B 68 7.386 17.505 -24.564 1.00 11.55 C ATOM 1713 CE1 TYR B 68 4.676 17.201 -25.052 1.00 12.36 C ATOM 1714 CE2 TYR B 68 6.925 16.370 -25.227 1.00 14.30 C ATOM 1715 CZ TYR B 68 5.568 16.227 -25.476 1.00 14.06 C ATOM 1716 OH TYR B 68 5.094 15.115 -26.127 1.00 17.62 O ATOM 1717 HH TYR B 68 5.506 15.059 -27.025 1.00 0.00 H ATOM 1718 H TYR B 68 8.445 20.759 -21.117 1.00 0.00 H ATOM 1719 N TYR B 69 6.051 17.772 -20.855 1.00 9.60 N ATOM 1720 CA TYR B 69 6.170 16.482 -20.158 1.00 10.33 C ATOM 1721 C TYR B 69 5.891 15.358 -21.159 1.00 10.40 C ATOM 1722 O TYR B 69 4.745 15.194 -21.609 1.00 11.33 O ATOM 1723 CB TYR B 69 5.237 16.397 -18.931 1.00 11.66 C ATOM 1724 CG TYR B 69 5.368 15.067 -18.242 1.00 12.14 C ATOM 1725 CD1 TYR B 69 6.555 14.699 -17.629 1.00 14.01 C ATOM 1726 CD2 TYR B 69 4.345 14.137 -18.290 1.00 14.30 C ATOM 1727 CE1 TYR B 69 6.698 13.434 -17.073 1.00 14.33 C ATOM 1728 CE2 TYR B 69 4.482 12.879 -17.732 1.00 13.78 C ATOM 1729 CZ TYR B 69 5.662 12.524 -17.133 1.00 13.22 C ATOM 1730 OH TYR B 69 5.816 11.263 -16.590 1.00 17.45 O ATOM 1731 HH TYR B 69 5.696 10.583 -17.299 1.00 0.00 H ATOM 1732 H TYR B 69 5.094 18.107 -21.086 1.00 0.00 H ATOM 1733 N SER B 70 6.934 14.608 -21.554 1.00 10.53 N ATOM 1734 CA SER B 70 6.770 13.649 -22.657 1.00 8.88 C ATOM 1735 C SER B 70 6.064 12.370 -22.263 1.00 13.73 C ATOM 1736 O SER B 70 5.585 11.646 -23.132 1.00 15.06 O ATOM 1737 CB SER B 70 8.109 13.328 -23.295 1.00 7.88 C ATOM 1738 OG SER B 70 8.996 12.752 -22.374 1.00 6.92 O ATOM 1739 HG SER B 70 8.607 11.912 -22.024 1.00 0.00 H ATOM 1740 H SER B 70 7.855 14.706 -21.081 1.00 0.00 H ATOM 1741 N GLY B 71 5.953 12.102 -20.953 1.00 15.38 N ATOM 1742 CA GLY B 71 5.347 10.840 -20.500 1.00 14.65 C ATOM 1743 C GLY B 71 3.922 10.655 -20.981 1.00 13.25 C ATOM 1744 O GLY B 71 3.530 9.575 -21.381 1.00 17.33 O ATOM 1745 H GLY B 71 6.297 12.790 -20.254 1.00 0.00 H ATOM 1746 N ASN B 72 3.142 11.718 -20.908 1.00 13.46 N ATOM 1747 CA ASN B 72 1.757 11.717 -21.387 1.00 15.84 C ATOM 1748 C ASN B 72 1.428 12.954 -22.269 1.00 13.68 C ATOM 1749 O ASN B 72 0.274 13.249 -22.548 1.00 15.90 O ATOM 1750 CB ASN B 72 0.785 11.584 -20.204 1.00 13.36 C ATOM 1751 CG ASN B 72 0.915 12.719 -19.205 1.00 12.56 C ATOM 1752 OD1 ASN B 72 1.522 13.719 -19.516 1.00 14.24 O ATOM 1753 ND2 ASN B 72 0.366 12.546 -18.005 1.00 14.92 N ATOM 1754 HD22 ASN B 72 -0.146 11.667 -17.789 1.00 0.00 H ATOM 1755 HD21 ASN B 72 0.448 13.290 -17.283 1.00 0.00 H ATOM 1756 H ASN B 72 3.526 12.591 -20.494 1.00 0.00 H ATOM 1757 N GLN B 73 2.471 13.623 -22.746 1.00 13.27 N ATOM 1758 CA GLN B 73 2.362 14.683 -23.753 1.00 12.58 C ATOM 1759 C GLN B 73 1.511 15.854 -23.298 1.00 12.11 C ATOM 1760 O GLN B 73 0.545 16.254 -23.936 1.00 12.35 O ATOM 1761 CB GLN B 73 1.918 14.092 -25.088 1.00 13.20 C ATOM 1762 CG GLN B 73 2.818 12.961 -25.535 1.00 16.51 C ATOM 1763 CD GLN B 73 2.264 11.589 -25.192 1.00 17.85 C ATOM 1764 OE1 GLN B 73 1.125 11.312 -25.485 1.00 26.88 O ATOM 1765 NE2 GLN B 73 3.064 10.745 -24.564 1.00 19.20 N ATOM 1766 HE22 GLN B 73 4.038 11.027 -24.332 1.00 0.00 H ATOM 1767 HE21 GLN B 73 2.720 9.799 -24.302 1.00 0.00 H ATOM 1768 H GLN B 73 3.416 13.382 -22.386 1.00 0.00 H ATOM 1769 N ILE B 74 1.902 16.398 -22.153 1.00 12.51 N ATOM 1770 CA ILE B 74 1.266 17.608 -21.593 1.00 12.91 C ATOM 1771 C ILE B 74 2.240 18.782 -21.689 1.00 9.72 C ATOM 1772 O ILE B 74 3.478 18.592 -21.551 1.00 11.09 O ATOM 1773 CB ILE B 74 0.858 17.288 -20.134 1.00 11.97 C ATOM 1774 CG1 ILE B 74 -0.430 16.467 -20.110 1.00 13.36 C ATOM 1775 CG2 ILE B 74 0.677 18.521 -19.259 1.00 13.18 C ATOM 1776 CD1 ILE B 74 -0.842 16.012 -18.721 1.00 13.67 C ATOM 1777 H ILE B 74 2.685 15.956 -21.630 1.00 0.00 H ATOM 1778 N ILE B 75 1.710 19.976 -21.977 1.00 11.05 N ATOM 1779 CA ILE B 75 2.549 21.137 -22.242 1.00 10.71 C ATOM 1780 C ILE B 75 1.995 22.387 -21.591 1.00 10.62 C ATOM 1781 O ILE B 75 0.777 22.515 -21.381 1.00 9.93 O ATOM 1782 CB ILE B 75 2.699 21.366 -23.782 1.00 12.09 C ATOM 1783 CG1 ILE B 75 3.918 22.220 -24.119 1.00 12.62 C ATOM 1784 CG2 ILE B 75 1.416 21.901 -24.406 1.00 11.15 C ATOM 1785 CD1 ILE B 75 4.192 22.301 -25.630 1.00 12.12 C ATOM 1786 H ILE B 75 0.676 20.078 -22.013 1.00 0.00 H ATOM 1787 N SER B 76 2.886 23.307 -21.249 1.00 10.01 N ATOM 1788 CA SER B 76 2.471 24.643 -20.781 1.00 9.94 C ATOM 1789 C SER B 76 3.499 25.631 -21.299 1.00 9.26 C ATOM 1790 O SER B 76 4.710 25.394 -21.170 1.00 10.61 O ATOM 1791 CB SER B 76 2.356 24.653 -19.243 1.00 9.65 C ATOM 1792 OG SER B 76 1.788 25.864 -18.755 1.00 11.86 O ATOM 1793 HG SER B 76 2.357 26.627 -19.027 1.00 0.00 H ATOM 1794 H SER B 76 3.899 23.082 -21.312 1.00 0.00 H ATOM 1795 N PHE B 77 3.027 26.701 -21.954 1.00 9.54 N ATOM 1796 CA PHE B 77 3.916 27.677 -22.609 1.00 9.53 C ATOM 1797 C PHE B 77 3.285 29.054 -22.587 1.00 9.52 C ATOM 1798 O PHE B 77 2.038 29.206 -22.485 1.00 10.84 O ATOM 1799 CB PHE B 77 4.274 27.248 -24.049 1.00 11.62 C ATOM 1800 CG PHE B 77 3.114 27.155 -24.986 1.00 11.51 C ATOM 1801 CD1 PHE B 77 2.381 26.010 -25.088 1.00 12.03 C ATOM 1802 CD2 PHE B 77 2.771 28.229 -25.788 1.00 11.69 C ATOM 1803 CE1 PHE B 77 1.307 25.940 -25.985 1.00 13.20 C ATOM 1804 CE2 PHE B 77 1.726 28.158 -26.667 1.00 14.18 C ATOM 1805 CZ PHE B 77 0.988 27.034 -26.773 1.00 12.68 C ATOM 1806 H PHE B 77 1.998 26.847 -22.002 1.00 0.00 H ATOM 1807 N SER B 78 4.141 30.051 -22.722 1.00 9.52 N ATOM 1808 CA SER B 78 3.724 31.428 -22.572 1.00 9.16 C ATOM 1809 C SER B 78 4.382 32.339 -23.620 1.00 10.25 C ATOM 1810 O SER B 78 5.463 32.048 -24.114 1.00 10.27 O ATOM 1811 CB SER B 78 4.146 31.952 -21.210 1.00 11.04 C ATOM 1812 OG SER B 78 3.586 31.192 -20.157 1.00 13.41 O ATOM 1813 HG SER B 78 3.885 30.252 -20.235 1.00 0.00 H ATOM 1814 H SER B 78 5.136 29.841 -22.941 1.00 0.00 H ATOM 1815 N VAL B 79 3.723 33.465 -23.889 1.00 9.08 N ATOM 1816 CA VAL B 79 4.219 34.493 -24.760 1.00 9.75 C ATOM 1817 C VAL B 79 3.987 35.835 -24.069 1.00 9.49 C ATOM 1818 O VAL B 79 2.884 36.090 -23.594 1.00 9.72 O ATOM 1819 CB VAL B 79 3.415 34.511 -26.082 1.00 10.34 C ATOM 1820 CG1 VAL B 79 3.647 35.794 -26.869 1.00 9.82 C ATOM 1821 CG2 VAL B 79 3.765 33.274 -26.928 1.00 10.25 C ATOM 1822 H VAL B 79 2.795 33.608 -23.442 1.00 0.00 H ATOM 1823 N VAL B 80 5.033 36.670 -24.055 1.00 9.37 N ATOM 1824 CA VAL B 80 4.940 38.089 -23.763 1.00 8.32 C ATOM 1825 C VAL B 80 4.868 38.816 -25.098 1.00 9.17 C ATOM 1826 O VAL B 80 5.740 38.618 -25.984 1.00 11.05 O ATOM 1827 CB VAL B 80 6.150 38.577 -22.927 1.00 8.74 C ATOM 1828 CG1 VAL B 80 6.264 40.108 -22.928 1.00 8.60 C ATOM 1829 CG2 VAL B 80 5.971 38.118 -21.471 1.00 9.71 C ATOM 1830 H VAL B 80 5.972 36.277 -24.267 1.00 0.00 H ATOM 1831 N TRP B 81 3.825 39.629 -25.249 1.00 10.82 N ATOM 1832 CA TRP B 81 3.496 40.305 -26.531 1.00 10.10 C ATOM 1833 C TRP B 81 4.341 41.557 -26.794 1.00 11.96 C ATOM 1834 O TRP B 81 3.802 42.646 -26.975 1.00 11.81 O ATOM 1835 CB TRP B 81 1.985 40.599 -26.574 1.00 9.91 C ATOM 1836 CG TRP B 81 1.151 39.338 -26.479 1.00 10.66 C ATOM 1837 CD1 TRP B 81 0.443 38.901 -25.390 1.00 12.64 C ATOM 1838 CD2 TRP B 81 1.010 38.314 -27.491 1.00 10.49 C ATOM 1839 NE1 TRP B 81 -0.146 37.685 -25.670 1.00 11.52 N ATOM 1840 CE2 TRP B 81 0.216 37.290 -26.939 1.00 10.83 C ATOM 1841 CE3 TRP B 81 1.509 38.157 -28.788 1.00 10.65 C ATOM 1842 CZ2 TRP B 81 -0.134 36.139 -27.648 1.00 10.26 C ATOM 1843 CZ3 TRP B 81 1.174 37.000 -29.495 1.00 11.62 C ATOM 1844 CH2 TRP B 81 0.347 36.020 -28.939 1.00 13.96 C ATOM 1845 HE1 TRP B 81 -0.764 37.152 -25.026 1.00 0.00 H ATOM 1846 H TRP B 81 3.209 39.800 -24.428 1.00 0.00 H ATOM 1847 N SER B 82 5.670 41.385 -26.807 1.00 11.79 N ATOM 1848 CA SER B 82 6.641 42.456 -27.078 1.00 12.60 C ATOM 1849 C SER B 82 7.653 41.939 -28.088 1.00 13.97 C ATOM 1850 O SER B 82 8.415 41.026 -27.803 1.00 15.80 O ATOM 1851 CB SER B 82 7.372 42.885 -25.806 1.00 12.27 C ATOM 1852 OG SER B 82 8.384 43.853 -26.106 1.00 14.49 O ATOM 1853 HG SER B 82 8.845 44.117 -25.270 1.00 0.00 H ATOM 1854 H SER B 82 6.039 40.432 -26.613 1.00 0.00 H ATOM 1855 N ASN B 83 7.680 42.560 -29.268 1.00 12.36 N ATOM 1856 CA ASN B 83 8.749 42.284 -30.205 1.00 12.23 C ATOM 1857 C ASN B 83 9.096 43.563 -30.965 1.00 16.33 C ATOM 1858 O ASN B 83 8.699 44.652 -30.580 1.00 16.62 O ATOM 1859 CB ASN B 83 8.421 41.072 -31.099 1.00 12.97 C ATOM 1860 CG ASN B 83 7.347 41.355 -32.145 1.00 11.80 C ATOM 1861 OD1 ASN B 83 6.878 42.495 -32.299 1.00 13.05 O ATOM 1862 ND2 ASN B 83 6.948 40.308 -32.877 1.00 13.86 N ATOM 1863 HD22 ASN B 83 7.367 39.370 -32.715 1.00 0.00 H ATOM 1864 HD21 ASN B 83 6.219 40.432 -33.608 1.00 0.00 H ATOM 1865 H ASN B 83 6.934 43.242 -29.515 1.00 0.00 H ATOM 1866 N ALA B 84 9.861 43.426 -32.036 1.00 18.03 N ATOM 1867 CA ALA B 84 10.355 44.574 -32.779 1.00 20.71 C ATOM 1868 C ALA B 84 9.249 45.275 -33.567 1.00 19.22 C ATOM 1869 O ALA B 84 9.405 46.408 -33.978 1.00 25.59 O ATOM 1870 CB ALA B 84 11.463 44.106 -33.704 1.00 21.43 C ATOM 1871 H ALA B 84 10.116 42.470 -32.355 1.00 0.00 H ATOM 1872 N SER B 85 8.155 44.556 -33.800 1.00 19.94 N ATOM 1873 CA SER B 85 7.048 45.024 -34.605 1.00 16.87 C ATOM 1874 C SER B 85 5.953 45.686 -33.802 1.00 15.48 C ATOM 1875 O SER B 85 5.446 46.758 -34.202 1.00 18.01 O ATOM 1876 CB SER B 85 6.449 43.851 -35.406 1.00 18.36 C ATOM 1877 OG SER B 85 7.335 43.476 -36.403 1.00 22.84 O ATOM 1878 HG SER B 85 6.951 42.723 -36.918 1.00 0.00 H ATOM 1879 H SER B 85 8.092 43.606 -33.381 1.00 0.00 H ATOM 1880 N ALA B 86 5.588 45.082 -32.678 1.00 14.41 N ATOM 1881 CA ALA B 86 4.442 45.565 -31.894 1.00 14.02 C ATOM 1882 C ALA B 86 4.555 45.109 -30.458 1.00 13.98 C ATOM 1883 O ALA B 86 5.022 44.006 -30.189 1.00 14.91 O ATOM 1884 CB ALA B 86 3.110 45.120 -32.476 1.00 14.58 C ATOM 1885 H ALA B 86 6.122 44.253 -32.346 1.00 0.00 H ATOM 1886 N ASN B 87 4.145 46.003 -29.562 1.00 14.55 N ATOM 1887 CA ASN B 87 4.080 45.720 -28.144 1.00 13.34 C ATOM 1888 C ASN B 87 2.640 45.945 -27.642 1.00 13.29 C ATOM 1889 O ASN B 87 2.138 47.095 -27.626 1.00 15.88 O ATOM 1890 CB ASN B 87 5.071 46.628 -27.399 1.00 14.35 C ATOM 1891 CG ASN B 87 5.136 46.346 -25.912 1.00 13.44 C ATOM 1892 OD1 ASN B 87 4.453 45.442 -25.401 1.00 13.60 O ATOM 1893 ND2 ASN B 87 5.926 47.153 -25.209 1.00 18.76 N ATOM 1894 HD22 ASN B 87 6.475 47.893 -25.691 1.00 0.00 H ATOM 1895 HD21 ASN B 87 5.995 47.044 -24.177 1.00 0.00 H ATOM 1896 H ASN B 87 3.859 46.946 -29.895 1.00 0.00 H ATOM 1897 N CYS B 88 2.014 44.853 -27.217 1.00 13.04 N ATOM 1898 CA CYS B 88 0.663 44.866 -26.705 1.00 15.39 C ATOM 1899 C CYS B 88 0.650 44.823 -25.160 1.00 13.53 C ATOM 1900 O CYS B 88 -0.425 44.703 -24.575 1.00 13.41 O ATOM 1901 CB CYS B 88 -0.158 43.721 -27.287 1.00 15.62 C ATOM 1902 SG CYS B 88 -0.465 43.936 -29.038 1.00 18.40 S ATOM 1903 H CYS B 88 2.521 43.945 -27.255 1.00 0.00 H ATOM 1904 N GLN B 89 1.828 44.946 -24.532 1.00 11.47 N ATOM 1905 CA GLN B 89 1.921 45.147 -23.051 1.00 11.26 C ATOM 1906 C GLN B 89 1.083 44.093 -22.272 1.00 12.55 C ATOM 1907 O GLN B 89 0.261 44.419 -21.389 1.00 11.11 O ATOM 1908 CB GLN B 89 1.501 46.579 -22.687 1.00 14.43 C ATOM 1909 CG GLN B 89 2.250 47.647 -23.452 1.00 16.30 C ATOM 1910 CD GLN B 89 1.864 49.035 -22.954 1.00 21.38 C ATOM 1911 OE1 GLN B 89 1.004 49.723 -23.522 1.00 34.88 O ATOM 1912 NE2 GLN B 89 2.446 49.417 -21.855 1.00 29.28 N ATOM 1913 HE22 GLN B 89 3.163 48.811 -21.409 1.00 0.00 H ATOM 1914 HE21 GLN B 89 2.194 50.329 -21.423 1.00 0.00 H ATOM 1915 H GLN B 89 2.704 44.900 -25.090 1.00 0.00 H ATOM 1916 N SER B 90 1.255 42.827 -22.644 1.00 11.80 N ATOM 1917 CA SER B 90 0.337 41.768 -22.225 1.00 10.88 C ATOM 1918 C SER B 90 1.118 40.446 -22.261 1.00 10.25 C ATOM 1919 O SER B 90 2.235 40.398 -22.825 1.00 10.53 O ATOM 1920 CB SER B 90 -0.830 41.685 -23.225 1.00 14.98 C ATOM 1921 OG SER B 90 -1.649 42.832 -23.098 1.00 21.85 O ATOM 1922 HG SER B 90 -1.112 43.642 -23.286 1.00 0.00 H ATOM 1923 H SER B 90 2.065 42.584 -23.250 1.00 0.00 H ATOM 1924 N ALA B 91 0.573 39.408 -21.644 1.00 9.42 N ATOM 1925 CA ALA B 91 1.139 38.069 -21.744 1.00 10.44 C ATOM 1926 C ALA B 91 0.014 37.035 -21.735 1.00 10.03 C ATOM 1927 O ALA B 91 -1.025 37.239 -21.102 1.00 12.78 O ATOM 1928 CB ALA B 91 2.133 37.802 -20.622 1.00 10.33 C ATOM 1929 H ALA B 91 -0.283 39.553 -21.072 1.00 0.00 H ATOM 1930 N THR B 92 0.247 35.923 -22.446 1.00 8.62 N ATOM 1931 CA THR B 92 -0.676 34.796 -22.483 1.00 8.87 C ATOM 1932 C THR B 92 0.035 33.517 -22.102 1.00 8.26 C ATOM 1933 O THR B 92 1.200 33.279 -22.476 1.00 9.63 O ATOM 1934 CB THR B 92 -1.231 34.641 -23.909 1.00 9.89 C ATOM 1935 OG1 THR B 92 -1.822 35.900 -24.260 1.00 11.62 O ATOM 1936 CG2 THR B 92 -2.244 33.523 -24.012 1.00 11.14 C ATOM 1937 HG1 THR B 92 -2.194 35.845 -25.176 1.00 0.00 H ATOM 1938 H THR B 92 1.127 35.862 -22.997 1.00 0.00 H ATOM 1939 N GLY B 93 -0.642 32.721 -21.297 1.00 9.35 N ATOM 1940 CA GLY B 93 -0.195 31.362 -20.989 1.00 10.48 C ATOM 1941 C GLY B 93 -1.219 30.316 -21.359 1.00 8.74 C ATOM 1942 O GLY B 93 -2.405 30.422 -20.986 1.00 9.49 O ATOM 1943 H GLY B 93 -1.522 33.071 -20.867 1.00 0.00 H ATOM 1944 N TRP B 94 -0.749 29.308 -22.107 1.00 10.26 N ATOM 1945 CA TRP B 94 -1.526 28.167 -22.525 1.00 10.64 C ATOM 1946 C TRP B 94 -1.062 26.959 -21.779 1.00 10.30 C ATOM 1947 O TRP B 94 0.145 26.746 -21.605 1.00 10.24 O ATOM 1948 CB TRP B 94 -1.278 27.844 -24.003 1.00 11.63 C ATOM 1949 CG TRP B 94 -1.723 28.852 -25.032 1.00 9.76 C ATOM 1950 CD1 TRP B 94 -2.844 28.739 -25.829 1.00 10.69 C ATOM 1951 CD2 TRP B 94 -1.037 30.038 -25.475 1.00 11.34 C ATOM 1952 NE1 TRP B 94 -2.920 29.819 -26.696 1.00 10.85 N ATOM 1953 CE2 TRP B 94 -1.803 30.604 -26.519 1.00 11.03 C ATOM 1954 CE3 TRP B 94 0.154 30.671 -25.108 1.00 10.37 C ATOM 1955 CZ2 TRP B 94 -1.417 31.787 -27.169 1.00 9.27 C ATOM 1956 CZ3 TRP B 94 0.538 31.842 -25.782 1.00 11.01 C ATOM 1957 CH2 TRP B 94 -0.242 32.365 -26.794 1.00 10.37 C ATOM 1958 HE1 TRP B 94 -3.692 30.005 -27.368 1.00 0.00 H ATOM 1959 H TRP B 94 0.246 29.352 -22.407 1.00 0.00 H ATOM 1960 N THR B 95 -2.025 26.129 -21.375 1.00 9.30 N ATOM 1961 CA THR B 95 -1.695 24.842 -20.730 1.00 10.32 C ATOM 1962 C THR B 95 -2.639 23.783 -21.295 1.00 10.55 C ATOM 1963 O THR B 95 -3.835 24.030 -21.457 1.00 11.18 O ATOM 1964 CB THR B 95 -1.862 24.960 -19.210 1.00 10.04 C ATOM 1965 OG1 THR B 95 -1.064 26.051 -18.722 1.00 10.62 O ATOM 1966 CG2 THR B 95 -1.549 23.630 -18.478 1.00 10.54 C ATOM 1967 HG1 THR B 95 -0.112 25.884 -18.937 1.00 0.00 H ATOM 1968 H THR B 95 -3.021 26.392 -21.516 1.00 0.00 H ATOM 1969 N GLY B 96 -2.119 22.600 -21.593 1.00 9.62 N ATOM 1970 CA GLY B 96 -2.968 21.582 -22.152 1.00 10.81 C ATOM 1971 C GLY B 96 -2.247 20.328 -22.519 1.00 11.72 C ATOM 1972 O GLY B 96 -1.180 20.027 -21.954 1.00 11.82 O ATOM 1973 H GLY B 96 -1.110 22.411 -21.425 1.00 0.00 H ATOM 1974 N TYR B 97 -2.830 19.602 -23.474 1.00 11.87 N ATOM 1975 CA TYR B 97 -2.383 18.262 -23.784 1.00 11.30 C ATOM 1976 C TYR B 97 -2.542 17.955 -25.271 1.00 12.16 C ATOM 1977 O TYR B 97 -3.435 18.483 -25.944 1.00 15.29 O ATOM 1978 CB TYR B 97 -3.144 17.234 -22.922 1.00 14.27 C ATOM 1979 CG TYR B 97 -4.643 17.216 -23.136 1.00 13.59 C ATOM 1980 CD1 TYR B 97 -5.227 16.391 -24.108 1.00 18.17 C ATOM 1981 CD2 TYR B 97 -5.481 18.036 -22.376 1.00 16.40 C ATOM 1982 CE1 TYR B 97 -6.594 16.399 -24.317 1.00 20.43 C ATOM 1983 CE2 TYR B 97 -6.848 18.055 -22.590 1.00 19.55 C ATOM 1984 CZ TYR B 97 -7.396 17.236 -23.553 1.00 19.16 C ATOM 1985 OH TYR B 97 -8.758 17.242 -23.764 1.00 25.46 O ATOM 1986 HH TYR B 97 -8.982 16.601 -24.485 1.00 0.00 H ATOM 1987 H TYR B 97 -3.624 20.009 -24.008 1.00 0.00 H ATOM 1988 N PHE B 98 -1.650 17.108 -25.759 1.00 11.83 N ATOM 1989 CA PHE B 98 -1.700 16.601 -27.141 1.00 13.04 C ATOM 1990 C PHE B 98 -2.544 15.337 -27.203 1.00 15.22 C ATOM 1991 O PHE B 98 -2.310 14.389 -26.466 1.00 18.53 O ATOM 1992 CB PHE B 98 -0.289 16.296 -27.660 1.00 14.57 C ATOM 1993 CG PHE B 98 0.541 17.524 -27.890 1.00 14.27 C ATOM 1994 CD1 PHE B 98 0.521 18.169 -29.112 1.00 16.12 C ATOM 1995 CD2 PHE B 98 1.372 18.023 -26.884 1.00 14.08 C ATOM 1996 CE1 PHE B 98 1.274 19.320 -29.322 1.00 15.74 C ATOM 1997 CE2 PHE B 98 2.129 19.174 -27.098 1.00 14.96 C ATOM 1998 CZ PHE B 98 2.100 19.809 -28.316 1.00 15.40 C ATOM 1999 H PHE B 98 -0.879 16.786 -25.139 1.00 0.00 H ATOM 2000 N ASP B 99 -3.492 15.311 -28.121 1.00 18.90 N ATOM 2001 CA ASP B 99 -4.295 14.132 -28.398 1.00 21.20 C ATOM 2002 C ASP B 99 -3.886 13.604 -29.768 1.00 24.21 C ATOM 2003 O ASP B 99 -4.217 14.190 -30.797 1.00 26.94 O ATOM 2004 CB ASP B 99 -5.771 14.500 -28.353 1.00 25.20 C ATOM 2005 CG ASP B 99 -6.700 13.305 -28.614 1.00 28.76 C ATOM 2006 OD1 ASP B 99 -6.246 12.258 -29.120 1.00 33.42 O ATOM 2007 OD2 ASP B 99 -7.893 13.422 -28.289 1.00 42.52 O ATOM 2008 H ASP B 99 -3.673 16.175 -28.672 1.00 0.00 H ATOM 2009 N PHE B 100 -3.169 12.483 -29.765 1.00 31.18 N ATOM 2010 CA PHE B 100 -2.687 11.853 -30.988 1.00 30.86 C ATOM 2011 C PHE B 100 -3.556 10.662 -31.394 1.00 40.25 C ATOM 2012 O PHE B 100 -3.182 9.904 -32.292 1.00 53.43 O ATOM 2013 CB PHE B 100 -1.251 11.375 -30.784 1.00 34.06 C ATOM 2014 CG PHE B 100 -0.243 12.477 -30.719 1.00 33.14 C ATOM 2015 CD1 PHE B 100 0.138 13.149 -31.870 1.00 37.59 C ATOM 2016 CD2 PHE B 100 0.336 12.840 -29.509 1.00 26.20 C ATOM 2017 CE1 PHE B 100 1.083 14.157 -31.820 1.00 37.78 C ATOM 2018 CE2 PHE B 100 1.293 13.830 -29.455 1.00 24.54 C ATOM 2019 CZ PHE B 100 1.644 14.514 -30.605 1.00 29.27 C ATOM 2020 H PHE B 100 -2.943 12.038 -28.853 1.00 0.00 H ATOM 2021 N SER B 101 -4.714 10.497 -30.755 1.00 39.93 N ATOM 2022 CA SER B 101 -5.538 9.300 -30.963 1.00 43.62 C ATOM 2023 C SER B 101 -6.222 9.246 -32.336 1.00 51.29 C ATOM 2024 O SER B 101 -6.336 8.177 -32.925 1.00 71.67 O ATOM 2025 CB SER B 101 -6.597 9.185 -29.864 1.00 44.20 C ATOM 2026 OG SER B 101 -7.605 10.156 -30.027 1.00 42.88 O ATOM 2027 HG SER B 101 -7.201 11.059 -29.985 1.00 0.00 H ATOM 2028 H SER B 101 -5.041 11.232 -30.095 1.00 0.00 H ATOM 2029 N GLY B 102 -6.704 10.393 -32.810 1.00 58.07 N ATOM 2030 CA GLY B 102 -7.335 10.497 -34.120 1.00 45.42 C ATOM 2031 C GLY B 102 -6.286 10.610 -35.204 1.00 46.66 C ATOM 2032 O GLY B 102 -5.091 10.703 -34.916 1.00 52.59 O ATOM 2033 H GLY B 102 -6.627 11.248 -32.223 1.00 0.00 H ATOM 2034 N SER B 103 -6.734 10.612 -36.456 1.00 48.52 N ATOM 2035 CA SER B 103 -5.826 10.667 -37.599 1.00 51.81 C ATOM 2036 C SER B 103 -5.201 12.060 -37.738 1.00 48.17 C ATOM 2037 O SER B 103 -4.157 12.236 -38.373 1.00 51.36 O ATOM 2038 CB SER B 103 -6.567 10.287 -38.887 1.00 59.38 C ATOM 2039 OG SER B 103 -5.773 9.418 -39.668 1.00 67.83 O ATOM 2040 HG SER B 103 -6.262 9.180 -40.495 1.00 0.00 H ATOM 2041 H SER B 103 -7.759 10.573 -36.626 1.00 0.00 H ATOM 2042 N GLN B 104 -5.868 13.046 -37.156 1.00 45.58 N ATOM 2043 CA GLN B 104 -5.368 14.411 -37.092 1.00 39.44 C ATOM 2044 C GLN B 104 -5.016 14.699 -35.630 1.00 32.98 C ATOM 2045 O GLN B 104 -5.870 14.611 -34.739 1.00 37.14 O ATOM 2046 CB GLN B 104 -6.444 15.379 -37.618 1.00 42.35 C ATOM 2047 CG GLN B 104 -6.282 16.850 -37.260 1.00 46.52 C ATOM 2048 CD GLN B 104 -5.137 17.550 -37.994 1.00 51.21 C ATOM 2049 OE1 GLN B 104 -4.020 17.684 -37.467 1.00 52.46 O ATOM 2050 NE2 GLN B 104 -5.419 18.024 -39.208 1.00 45.23 N ATOM 2051 HE22 GLN B 104 -6.368 17.889 -39.611 1.00 0.00 H ATOM 2052 HE21 GLN B 104 -4.690 18.528 -39.752 1.00 0.00 H ATOM 2053 H GLN B 104 -6.791 12.835 -36.725 1.00 0.00 H ATOM 2054 N ALA B 105 -3.756 15.019 -35.376 1.00 24.93 N ATOM 2055 CA ALA B 105 -3.322 15.346 -34.014 1.00 22.36 C ATOM 2056 C ALA B 105 -3.862 16.713 -33.603 1.00 23.34 C ATOM 2057 O ALA B 105 -3.867 17.653 -34.411 1.00 22.84 O ATOM 2058 CB ALA B 105 -1.812 15.349 -33.938 1.00 26.96 C ATOM 2059 H ALA B 105 -3.065 15.039 -36.153 1.00 0.00 H ATOM 2060 N VAL B 106 -4.310 16.812 -32.348 1.00 23.36 N ATOM 2061 CA VAL B 106 -4.831 18.051 -31.799 1.00 17.30 C ATOM 2062 C VAL B 106 -4.210 18.387 -30.429 1.00 18.69 C ATOM 2063 O VAL B 106 -4.146 17.547 -29.524 1.00 23.12 O ATOM 2064 CB VAL B 106 -6.362 18.005 -31.623 1.00 20.49 C ATOM 2065 CG1 VAL B 106 -6.884 19.395 -31.264 1.00 22.02 C ATOM 2066 CG2 VAL B 106 -7.034 17.502 -32.912 1.00 23.20 C ATOM 2067 H VAL B 106 -4.284 15.968 -31.741 1.00 0.00 H ATOM 2068 N LEU B 107 -3.782 19.633 -30.290 1.00 15.65 N ATOM 2069 CA LEU B 107 -3.319 20.172 -29.010 1.00 13.83 C ATOM 2070 C LEU B 107 -4.478 20.951 -28.418 1.00 13.59 C ATOM 2071 O LEU B 107 -4.926 21.968 -29.002 1.00 14.32 O ATOM 2072 CB LEU B 107 -2.108 21.076 -29.248 1.00 15.13 C ATOM 2073 CG LEU B 107 -1.680 21.962 -28.075 1.00 13.41 C ATOM 2074 CD1 LEU B 107 -1.328 21.090 -26.849 1.00 12.16 C ATOM 2075 CD2 LEU B 107 -0.525 22.883 -28.420 1.00 14.09 C ATOM 2076 H LEU B 107 -3.775 20.254 -31.124 1.00 0.00 H ATOM 2077 N LYS B 108 -4.990 20.464 -27.287 1.00 15.23 N ATOM 2078 CA LYS B 108 -6.098 21.093 -26.607 1.00 14.00 C ATOM 2079 C LYS B 108 -5.575 21.908 -25.446 1.00 14.35 C ATOM 2080 O LYS B 108 -4.835 21.400 -24.596 1.00 14.30 O ATOM 2081 CB LYS B 108 -7.104 20.054 -26.129 1.00 16.70 C ATOM 2082 CG LYS B 108 -7.627 19.192 -27.304 1.00 20.66 C ATOM 2083 CD LYS B 108 -9.000 18.567 -27.095 1.00 30.34 C ATOM 2084 CE LYS B 108 -10.070 19.529 -26.553 1.00 36.52 C ATOM 2085 NZ LYS B 108 -10.957 20.126 -27.587 1.00 30.25 N ATOM 2086 HZ1 LYS B 108 -10.383 20.668 -28.264 1.00 0.00 H ATOM 2087 HZ2 LYS B 108 -11.462 19.368 -28.088 1.00 0.00 H ATOM 2088 HZ3 LYS B 108 -11.644 20.759 -27.129 1.00 0.00 H ATOM 2089 H LYS B 108 -4.577 19.601 -26.880 1.00 0.00 H ATOM 2090 N THR B 109 -5.898 23.187 -25.459 1.00 11.86 N ATOM 2091 CA THR B 109 -5.439 24.093 -24.430 1.00 11.57 C ATOM 2092 C THR B 109 -6.516 24.991 -23.856 1.00 9.74 C ATOM 2093 O THR B 109 -7.494 25.395 -24.526 1.00 13.69 O ATOM 2094 CB THR B 109 -4.307 25.045 -24.907 1.00 10.31 C ATOM 2095 OG1 THR B 109 -4.811 26.002 -25.847 1.00 12.32 O ATOM 2096 CG2 THR B 109 -3.137 24.286 -25.513 1.00 13.33 C ATOM 2097 HG1 THR B 109 -5.182 25.527 -26.632 1.00 0.00 H ATOM 2098 H THR B 109 -6.497 23.552 -26.227 1.00 0.00 H ATOM 2099 N ASP B 110 -6.266 25.360 -22.600 1.00 11.93 N ATOM 2100 CA ASP B 110 -6.892 26.524 -21.951 1.00 11.70 C ATOM 2101 C ASP B 110 -5.826 27.612 -21.811 1.00 10.33 C ATOM 2102 O ASP B 110 -4.640 27.322 -21.568 1.00 11.78 O ATOM 2103 CB ASP B 110 -7.414 26.132 -20.554 1.00 11.78 C ATOM 2104 CG ASP B 110 -8.678 25.320 -20.617 1.00 18.87 C ATOM 2105 OD1 ASP B 110 -8.864 24.521 -21.518 1.00 31.95 O ATOM 2106 OD2 ASP B 110 -9.545 25.502 -19.796 1.00 37.03 O ATOM 2107 H ASP B 110 -5.591 24.794 -22.047 1.00 0.00 H ATOM 2108 N TRP B 111 -6.228 28.862 -21.976 1.00 11.85 N ATOM 2109 CA TRP B 111 -5.315 29.969 -21.822 1.00 10.98 C ATOM 2110 C TRP B 111 -5.839 31.081 -20.943 1.00 11.30 C ATOM 2111 O TRP B 111 -7.058 31.238 -20.744 1.00 12.67 O ATOM 2112 CB TRP B 111 -4.920 30.555 -23.199 1.00 10.89 C ATOM 2113 CG TRP B 111 -6.064 30.993 -24.119 1.00 12.75 C ATOM 2114 CD1 TRP B 111 -6.524 30.324 -25.225 1.00 13.26 C ATOM 2115 CD2 TRP B 111 -6.783 32.232 -24.083 1.00 11.70 C ATOM 2116 NE1 TRP B 111 -7.514 31.046 -25.858 1.00 14.92 N ATOM 2117 CE2 TRP B 111 -7.676 32.236 -25.188 1.00 13.27 C ATOM 2118 CE3 TRP B 111 -6.748 33.361 -23.245 1.00 13.89 C ATOM 2119 CZ2 TRP B 111 -8.543 33.302 -25.437 1.00 14.38 C ATOM 2120 CZ3 TRP B 111 -7.622 34.431 -23.509 1.00 15.58 C ATOM 2121 CH2 TRP B 111 -8.509 34.382 -24.584 1.00 14.75 C ATOM 2122 HE1 TRP B 111 -8.047 30.743 -26.698 1.00 0.00 H ATOM 2123 H TRP B 111 -7.221 29.050 -22.221 1.00 0.00 H ATOM 2124 N ASN B 112 -4.877 31.856 -20.435 1.00 10.01 N ATOM 2125 CA ASN B 112 -5.129 33.069 -19.716 1.00 10.91 C ATOM 2126 C ASN B 112 -4.311 34.183 -20.335 1.00 11.50 C ATOM 2127 O ASN B 112 -3.128 33.977 -20.620 1.00 10.26 O ATOM 2128 CB ASN B 112 -4.735 32.946 -18.238 1.00 9.75 C ATOM 2129 CG ASN B 112 -5.666 32.064 -17.466 1.00 11.81 C ATOM 2130 OD1 ASN B 112 -6.893 32.266 -17.498 1.00 14.85 O ATOM 2131 ND2 ASN B 112 -5.104 31.075 -16.757 1.00 11.39 N ATOM 2132 HD22 ASN B 112 -4.071 30.951 -16.766 1.00 0.00 H ATOM 2133 HD21 ASN B 112 -5.700 30.432 -16.198 1.00 0.00 H ATOM 2134 H ASN B 112 -3.889 31.562 -20.569 1.00 0.00 H ATOM 2135 N LEU B 113 -4.951 35.352 -20.491 1.00 12.39 N ATOM 2136 CA LEU B 113 -4.351 36.574 -20.985 1.00 11.79 C ATOM 2137 C LEU B 113 -4.424 37.643 -19.904 1.00 10.21 C ATOM 2138 O LEU B 113 -5.511 38.032 -19.503 1.00 14.07 O ATOM 2139 CB LEU B 113 -5.117 37.079 -22.226 1.00 12.23 C ATOM 2140 CG LEU B 113 -4.825 38.512 -22.693 1.00 15.40 C ATOM 2141 CD1 LEU B 113 -3.469 38.584 -23.351 1.00 11.31 C ATOM 2142 CD2 LEU B 113 -5.912 39.019 -23.634 1.00 18.09 C ATOM 2143 H LEU B 113 -5.959 35.383 -20.237 1.00 0.00 H ATOM 2144 N ALA B 114 -3.249 38.095 -19.458 1.00 7.85 N ATOM 2145 CA ALA B 114 -3.127 39.185 -18.504 1.00 10.14 C ATOM 2146 C ALA B 114 -2.812 40.486 -19.237 1.00 10.96 C ATOM 2147 O ALA B 114 -1.912 40.523 -20.081 1.00 10.80 O ATOM 2148 CB ALA B 114 -2.053 38.873 -17.474 1.00 12.33 C ATOM 2149 H ALA B 114 -2.380 37.646 -19.810 1.00 0.00 H ATOM 2150 N PHE B 115 -3.523 41.550 -18.874 1.00 13.13 N ATOM 2151 CA PHE B 115 -3.430 42.849 -19.587 1.00 12.02 C ATOM 2152 C PHE B 115 -3.993 43.982 -18.731 1.00 12.49 C ATOM 2153 O PHE B 115 -4.650 43.728 -17.717 1.00 16.26 O ATOM 2154 CB PHE B 115 -4.167 42.747 -20.930 1.00 14.46 C ATOM 2155 CG PHE B 115 -5.670 42.652 -20.793 1.00 15.82 C ATOM 2156 CD1 PHE B 115 -6.276 41.450 -20.472 1.00 15.74 C ATOM 2157 CD2 PHE B 115 -6.485 43.767 -21.001 1.00 18.23 C ATOM 2158 CE1 PHE B 115 -7.653 41.361 -20.325 1.00 19.39 C ATOM 2159 CE2 PHE B 115 -7.860 43.676 -20.840 1.00 20.52 C ATOM 2160 CZ PHE B 115 -8.442 42.479 -20.545 1.00 17.96 C ATOM 2161 H PHE B 115 -4.167 41.469 -18.062 1.00 0.00 H ATOM 2162 N TYR B 116 -3.717 45.224 -19.139 1.00 13.68 N ATOM 2163 CA TYR B 116 -4.320 46.396 -18.521 1.00 13.85 C ATOM 2164 C TYR B 116 -5.337 47.047 -19.447 1.00 16.02 C ATOM 2165 O TYR B 116 -5.174 47.095 -20.677 1.00 19.06 O ATOM 2166 CB TYR B 116 -3.253 47.411 -18.117 1.00 16.85 C ATOM 2167 CG TYR B 116 -2.653 47.121 -16.744 1.00 16.51 C ATOM 2168 CD1 TYR B 116 -1.646 46.154 -16.575 1.00 15.26 C ATOM 2169 CD2 TYR B 116 -3.124 47.778 -15.625 1.00 18.39 C ATOM 2170 CE1 TYR B 116 -1.101 45.901 -15.337 1.00 14.23 C ATOM 2171 CE2 TYR B 116 -2.597 47.539 -14.372 1.00 17.07 C ATOM 2172 CZ TYR B 116 -1.605 46.583 -14.221 1.00 16.54 C ATOM 2173 OH TYR B 116 -1.102 46.354 -12.966 1.00 20.54 O ATOM 2174 HH TYR B 116 -0.407 45.651 -13.014 1.00 0.00 H ATOM 2175 H TYR B 116 -3.049 45.358 -19.925 1.00 0.00 H ATOM 2176 N SER B 117 -6.392 47.533 -18.817 1.00 20.14 N ATOM 2177 CA SER B 117 -7.361 48.429 -19.432 1.00 23.22 C ATOM 2178 C SER B 117 -7.381 49.696 -18.573 1.00 23.48 C ATOM 2179 O SER B 117 -7.872 49.691 -17.425 1.00 27.57 O ATOM 2180 CB SER B 117 -8.728 47.759 -19.490 1.00 28.04 C ATOM 2181 OG SER B 117 -9.692 48.648 -19.999 1.00 37.53 O ATOM 2182 HG SER B 117 -10.572 48.196 -20.029 1.00 0.00 H ATOM 2183 H SER B 117 -6.539 47.260 -17.824 1.00 0.00 H ATOM 2184 N GLY B 118 -6.803 50.768 -19.109 1.00 32.58 N ATOM 2185 CA GLY B 118 -6.475 51.921 -18.295 1.00 31.37 C ATOM 2186 C GLY B 118 -5.533 51.490 -17.194 1.00 30.80 C ATOM 2187 O GLY B 118 -4.560 50.765 -17.420 1.00 31.21 O ATOM 2188 H GLY B 118 -6.584 50.778 -20.126 1.00 0.00 H ATOM 2189 N SER B 119 -5.819 51.926 -15.982 1.00 27.37 N ATOM 2190 CA SER B 119 -5.004 51.508 -14.839 1.00 25.27 C ATOM 2191 C SER B 119 -5.537 50.223 -14.205 1.00 25.12 C ATOM 2192 O SER B 119 -5.065 49.822 -13.145 1.00 28.76 O ATOM 2193 CB SER B 119 -4.939 52.630 -13.804 1.00 28.72 C ATOM 2194 OG SER B 119 -6.234 52.877 -13.312 1.00 36.80 O ATOM 2195 HG SER B 119 -6.198 53.604 -12.641 1.00 0.00 H ATOM 2196 H SER B 119 -6.625 52.568 -15.838 1.00 0.00 H ATOM 2197 N THR B 120 -6.509 49.567 -14.844 1.00 21.23 N ATOM 2198 CA THR B 120 -7.109 48.355 -14.267 1.00 21.64 C ATOM 2199 C THR B 120 -6.519 47.058 -14.842 1.00 18.20 C ATOM 2200 O THR B 120 -6.650 46.796 -16.021 1.00 20.87 O ATOM 2201 CB THR B 120 -8.618 48.330 -14.517 1.00 24.93 C ATOM 2202 OG1 THR B 120 -9.172 49.493 -13.944 1.00 32.47 O ATOM 2203 CG2 THR B 120 -9.282 47.103 -13.883 1.00 26.24 C ATOM 2204 HG1 THR B 120 -10.151 49.499 -14.093 1.00 0.00 H ATOM 2205 H THR B 120 -6.846 49.918 -15.763 1.00 0.00 H ATOM 2206 N PRO B 121 -5.915 46.210 -13.985 1.00 19.06 N ATOM 2207 CA PRO B 121 -5.421 44.911 -14.486 1.00 18.92 C ATOM 2208 C PRO B 121 -6.551 43.890 -14.635 1.00 18.61 C ATOM 2209 O PRO B 121 -7.575 43.947 -13.938 1.00 22.40 O ATOM 2210 CB PRO B 121 -4.447 44.469 -13.411 1.00 18.02 C ATOM 2211 CG PRO B 121 -5.004 45.061 -12.167 1.00 18.36 C ATOM 2212 CD PRO B 121 -5.661 46.369 -12.543 1.00 19.57 C ATOM 2213 N ALA B 122 -6.395 42.986 -15.575 1.00 16.09 N ATOM 2214 CA ALA B 122 -7.381 41.919 -15.713 1.00 22.15 C ATOM 2215 C ALA B 122 -6.778 40.673 -16.308 1.00 16.18 C ATOM 2216 O ALA B 122 -5.741 40.724 -16.964 1.00 15.03 O ATOM 2217 CB ALA B 122 -8.553 42.378 -16.549 1.00 26.37 C ATOM 2218 H ALA B 122 -5.576 43.030 -16.215 1.00 0.00 H ATOM 2219 N ILE B 123 -7.449 39.552 -16.071 1.00 16.37 N ATOM 2220 CA ILE B 123 -7.027 38.280 -16.639 1.00 15.32 C ATOM 2221 C ILE B 123 -8.207 37.614 -17.303 1.00 17.60 C ATOM 2222 O ILE B 123 -9.202 37.292 -16.642 1.00 21.76 O ATOM 2223 CB ILE B 123 -6.437 37.312 -15.606 1.00 16.99 C ATOM 2224 CG1 ILE B 123 -5.309 37.975 -14.845 1.00 19.50 C ATOM 2225 CG2 ILE B 123 -5.884 36.083 -16.333 1.00 18.90 C ATOM 2226 CD1 ILE B 123 -4.810 37.149 -13.675 1.00 19.89 C ATOM 2227 H ILE B 123 -8.295 39.583 -15.466 1.00 0.00 H ATOM 2228 N GLN B 124 -8.097 37.454 -18.620 1.00 18.26 N ATOM 2229 CA GLN B 124 -9.148 36.868 -19.465 1.00 19.72 C ATOM 2230 C GLN B 124 -8.816 35.401 -19.770 1.00 17.19 C ATOM 2231 O GLN B 124 -7.660 35.049 -19.970 1.00 15.83 O ATOM 2232 CB GLN B 124 -9.252 37.631 -20.790 1.00 19.34 C ATOM 2233 CG GLN B 124 -10.292 37.030 -21.746 1.00 26.52 C ATOM 2234 CD GLN B 124 -10.407 37.776 -23.067 1.00 32.51 C ATOM 2235 OE1 GLN B 124 -11.428 38.357 -23.353 1.00 50.63 O ATOM 2236 NE2 GLN B 124 -9.368 37.741 -23.868 1.00 26.05 N ATOM 2237 HE22 GLN B 124 -8.509 37.229 -23.583 1.00 0.00 H ATOM 2238 HE21 GLN B 124 -9.404 38.225 -24.788 1.00 0.00 H ATOM 2239 H GLN B 124 -7.216 37.762 -19.078 1.00 0.00 H ATOM 2240 N GLN B 125 -9.846 34.572 -19.797 1.00 19.52 N ATOM 2241 CA GLN B 125 -9.761 33.133 -20.048 1.00 18.14 C ATOM 2242 C GLN B 125 -10.287 32.765 -21.423 1.00 16.44 C ATOM 2243 O GLN B 125 -11.225 33.371 -21.910 1.00 18.29 O ATOM 2244 CB GLN B 125 -10.625 32.369 -19.034 1.00 21.80 C ATOM 2245 CG GLN B 125 -10.031 32.254 -17.647 1.00 20.27 C ATOM 2246 CD GLN B 125 -10.046 33.542 -16.836 1.00 25.26 C ATOM 2247 OE1 GLN B 125 -11.128 34.150 -16.583 1.00 32.97 O ATOM 2248 NE2 GLN B 125 -8.856 33.935 -16.355 1.00 25.51 N ATOM 2249 HE22 GLN B 125 -7.997 33.400 -16.593 1.00 0.00 H ATOM 2250 HE21 GLN B 125 -8.794 34.774 -15.744 1.00 0.00 H ATOM 2251 H GLN B 125 -10.790 34.974 -19.627 1.00 0.00 H ATOM 2252 N GLY B 126 -9.709 31.728 -22.014 1.00 15.30 N ATOM 2253 CA GLY B 126 -10.223 31.140 -23.251 1.00 15.74 C ATOM 2254 C GLY B 126 -9.738 29.730 -23.508 1.00 15.54 C ATOM 2255 O GLY B 126 -9.086 29.132 -22.657 1.00 15.84 O ATOM 2256 H GLY B 126 -8.857 31.317 -21.581 1.00 0.00 H ATOM 2257 N GLN B 127 -10.075 29.201 -24.697 1.00 16.55 N ATOM 2258 CA GLN B 127 -9.666 27.873 -25.107 1.00 15.72 C ATOM 2259 C GLN B 127 -9.210 27.913 -26.553 1.00 14.61 C ATOM 2260 O GLN B 127 -9.863 28.576 -27.350 1.00 17.43 O ATOM 2261 CB GLN B 127 -10.797 26.883 -24.939 1.00 17.47 C ATOM 2262 CG GLN B 127 -11.164 26.735 -23.473 1.00 23.30 C ATOM 2263 CD GLN B 127 -12.173 25.643 -23.253 1.00 29.24 C ATOM 2264 OE1 GLN B 127 -13.252 25.716 -23.793 1.00 33.95 O ATOM 2265 NE2 GLN B 127 -11.835 24.631 -22.447 1.00 38.52 N ATOM 2266 HE22 GLN B 127 -10.894 24.611 -22.004 1.00 0.00 H ATOM 2267 HE21 GLN B 127 -12.513 23.864 -22.263 1.00 0.00 H ATOM 2268 H GLN B 127 -10.653 29.768 -25.349 1.00 0.00 H ATOM 2269 N ASP B 128 -8.077 27.257 -26.842 1.00 15.61 N ATOM 2270 CA ASP B 128 -7.552 27.107 -28.226 1.00 14.05 C ATOM 2271 C ASP B 128 -7.315 25.622 -28.468 1.00 13.58 C ATOM 2272 O ASP B 128 -6.702 24.956 -27.651 1.00 14.99 O ATOM 2273 CB ASP B 128 -6.194 27.809 -28.442 1.00 15.45 C ATOM 2274 CG ASP B 128 -6.292 29.351 -28.563 1.00 13.49 C ATOM 2275 OD1 ASP B 128 -7.434 29.895 -28.679 1.00 15.45 O ATOM 2276 OD2 ASP B 128 -5.205 30.013 -28.517 1.00 14.35 O ATOM 2277 H ASP B 128 -7.539 26.832 -26.060 1.00 0.00 H ATOM 2278 N ASP B 129 -7.739 25.135 -29.631 1.00 14.20 N ATOM 2279 CA ASP B 129 -7.366 23.839 -30.122 1.00 14.74 C ATOM 2280 C ASP B 129 -6.494 24.024 -31.352 1.00 12.67 C ATOM 2281 O ASP B 129 -6.909 24.710 -32.296 1.00 15.35 O ATOM 2282 CB ASP B 129 -8.609 23.051 -30.525 1.00 17.16 C ATOM 2283 CG ASP B 129 -9.471 22.623 -29.341 1.00 22.22 C ATOM 2284 OD1 ASP B 129 -9.044 22.682 -28.171 1.00 24.93 O ATOM 2285 OD2 ASP B 129 -10.603 22.194 -29.617 1.00 32.04 O ATOM 2286 H ASP B 129 -8.371 25.722 -30.212 1.00 0.00 H ATOM 2287 N PHE B 130 -5.296 23.446 -31.341 1.00 11.75 N ATOM 2288 CA PHE B 130 -4.363 23.569 -32.458 1.00 13.41 C ATOM 2289 C PHE B 130 -4.225 22.252 -33.209 1.00 15.02 C ATOM 2290 O PHE B 130 -3.982 21.234 -32.609 1.00 15.68 O ATOM 2291 CB PHE B 130 -2.969 23.946 -31.960 1.00 14.19 C ATOM 2292 CG PHE B 130 -2.884 25.245 -31.215 1.00 12.06 C ATOM 2293 CD1 PHE B 130 -3.230 25.320 -29.874 1.00 13.48 C ATOM 2294 CD2 PHE B 130 -2.332 26.380 -31.817 1.00 13.93 C ATOM 2295 CE1 PHE B 130 -3.065 26.499 -29.156 1.00 13.94 C ATOM 2296 CE2 PHE B 130 -2.225 27.573 -31.125 1.00 14.70 C ATOM 2297 CZ PHE B 130 -2.583 27.619 -29.774 1.00 11.92 C ATOM 2298 H PHE B 130 -5.014 22.888 -30.510 1.00 0.00 H ATOM 2299 N MET B 131 -4.352 22.296 -34.531 1.00 17.51 N ATOM 2300 CA MET B 131 -4.184 21.123 -35.350 1.00 17.87 C ATOM 2301 C MET B 131 -2.830 21.197 -36.004 1.00 16.88 C ATOM 2302 O MET B 131 -2.440 22.251 -36.517 1.00 18.03 O ATOM 2303 CB MET B 131 -5.251 21.060 -36.445 1.00 24.12 C ATOM 2304 CG MET B 131 -6.669 21.324 -35.972 1.00 35.22 C ATOM 2305 SD MET B 131 -7.376 19.832 -35.268 1.00 52.53 S ATOM 2306 CE MET B 131 -8.746 20.495 -34.307 1.00 47.53 C ATOM 2307 H MET B 131 -4.579 23.203 -34.987 1.00 0.00 H ATOM 2308 N GLN B 132 -2.145 20.059 -36.015 1.00 20.15 N ATOM 2309 CA GLN B 132 -0.866 19.934 -36.686 1.00 20.20 C ATOM 2310 C GLN B 132 -1.066 20.062 -38.185 1.00 23.34 C ATOM 2311 O GLN B 132 -1.879 19.341 -38.754 1.00 30.16 O ATOM 2312 CB GLN B 132 -0.227 18.591 -36.362 1.00 25.38 C ATOM 2313 CG GLN B 132 1.207 18.491 -36.838 1.00 27.04 C ATOM 2314 CD GLN B 132 1.900 17.258 -36.317 1.00 36.20 C ATOM 2315 OE1 GLN B 132 1.261 16.229 -36.041 1.00 39.59 O ATOM 2316 NE2 GLN B 132 3.219 17.345 -36.178 1.00 42.64 N ATOM 2317 HE22 GLN B 132 3.710 18.228 -36.422 1.00 0.00 H ATOM 2318 HE21 GLN B 132 3.760 16.530 -35.825 1.00 0.00 H ATOM 2319 H GLN B 132 -2.539 19.230 -35.526 1.00 0.00 H ATOM 2320 N SER B 133 -0.330 20.967 -38.836 1.00 24.29 N ATOM 2321 CA SER B 133 -0.451 21.110 -40.323 1.00 28.33 C ATOM 2322 C SER B 133 0.289 20.051 -41.135 1.00 38.62 C ATOM 2323 O SER B 133 1.010 19.221 -40.583 1.00 36.97 O ATOM 2324 CB SER B 133 0.031 22.473 -40.790 1.00 38.26 C ATOM 2325 OG SER B 133 1.444 22.527 -40.715 1.00 46.41 O ATOM 2326 HG SER B 133 1.730 22.379 -39.779 1.00 0.00 H ATOM 2327 H SER B 133 0.329 21.575 -38.309 1.00 0.00 H TER 2328 SER B 133 HETATM 2329 O HOH 1 14.371 35.713 -27.656 1.00 41.50 O HETATM 2330 O HOH 2 2.790 46.786 -10.724 1.00 23.92 O HETATM 2331 O HOH 3 -5.692 35.402 -8.230 1.00 20.32 O HETATM 2332 O HOH 4 12.920 38.201 -7.999 1.00 16.03 O HETATM 2333 O HOH 5 6.667 20.552 -4.125 1.00 13.93 O HETATM 2334 O HOH 6 12.400 36.127 -25.171 1.00 19.55 O HETATM 2335 O HOH 7 3.850 9.535 -17.786 1.00 26.32 O HETATM 2336 O HOH 8 4.468 20.290 2.002 1.00 26.58 O HETATM 2337 O HOH 9 -5.921 43.439 -8.338 1.00 30.99 O HETATM 2338 O HOH 10 7.435 21.737 2.325 1.00 27.54 O HETATM 2339 O HOH 11 16.410 38.181 -10.985 1.00 17.78 O HETATM 2340 O HOH 12 13.663 29.699 -17.597 1.00 30.04 O HETATM 2341 O HOH 13 0.587 24.203 -5.472 1.00 24.41 O HETATM 2342 O HOH 14 11.150 38.207 -1.582 1.00 21.08 O HETATM 2343 O HOH 15 9.115 22.706 -14.727 1.00 12.05 O HETATM 2344 O HOH 16 -1.670 13.093 -14.690 1.00 18.89 O HETATM 2345 O HOH 17 8.873 24.821 -16.374 1.00 25.51 O HETATM 2346 O HOH 18 7.784 16.180 -4.032 1.00 46.71 O HETATM 2347 O HOH 19 14.017 43.375 -30.705 1.00 32.42 O HETATM 2348 O HOH 20 10.241 12.474 -12.241 1.00 21.20 O HETATM 2349 O HOH 21 10.105 48.122 -18.786 1.00 19.26 O HETATM 2350 O HOH 22 5.267 29.182 -19.353 1.00 14.88 O HETATM 2351 O HOH 23 0.433 45.499 -2.982 1.00 23.27 O HETATM 2352 O HOH 24 2.061 48.136 -8.655 1.00 31.07 O HETATM 2353 O HOH 25 15.996 42.503 -22.942 1.00 15.56 O HETATM 2354 O HOH 26 10.230 28.102 -3.832 1.00 18.45 O HETATM 2355 O HOH 27 4.363 46.748 -2.581 1.00 36.69 O HETATM 2356 O HOH 28 15.888 33.705 -15.597 1.00 16.85 O HETATM 2357 O HOH 29 6.417 43.249 -0.305 1.00 23.10 O HETATM 2358 O HOH 30 14.276 27.418 -13.680 1.00 20.53 O HETATM 2359 O HOH 31 6.852 50.484 -20.733 1.00 27.08 O HETATM 2360 O HOH 32 -2.389 34.679 -0.226 1.00 17.37 O HETATM 2361 O HOH 33 3.324 12.733 -4.898 1.00 29.30 O HETATM 2362 O HOH 34 2.976 50.463 -16.345 1.00 40.94 O HETATM 2363 O HOH 35 15.723 28.037 -8.450 1.00 39.42 O HETATM 2364 O HOH 36 -2.220 30.412 -16.994 1.00 12.23 O HETATM 2365 O HOH 37 -10.777 19.661 -19.161 1.00 34.02 O HETATM 2366 O HOH 38 15.200 16.962 -9.609 1.00 22.43 O HETATM 2367 O HOH 39 -5.906 27.872 -5.620 1.00 29.03 O HETATM 2368 O HOH 40 11.722 29.252 -1.887 1.00 25.62 O HETATM 2369 O HOH 41 -8.301 28.063 -6.963 1.00 23.62 O HETATM 2370 O HOH 42 14.410 20.842 -8.829 1.00 28.68 O HETATM 2371 O HOH 43 -0.856 26.083 -4.167 1.00 28.05 O HETATM 2372 O HOH 44 5.054 15.452 -14.718 1.00 15.27 O HETATM 2373 O HOH 45 3.949 14.629 -1.824 1.00 25.85 O HETATM 2374 O HOH 46 0.073 49.000 -19.237 1.00 21.93 O HETATM 2375 O HOH 47 6.726 50.627 -23.977 1.00 32.65 O HETATM 2376 O HOH 48 -3.894 26.248 -5.271 1.00 37.22 O HETATM 2377 O HOH 49 12.005 32.133 -21.239 1.00 36.95 O HETATM 2378 O HOH 50 -8.843 30.592 -13.478 1.00 23.96 O HETATM 2379 O HOH 51 14.527 43.444 -20.947 1.00 19.20 O HETATM 2380 O HOH 52 8.382 8.472 -13.015 1.00 29.75 O HETATM 2381 O HOH 53 -6.439 27.419 -2.712 1.00 39.98 O HETATM 2382 O HOH 54 5.291 17.697 2.193 1.00 30.66 O HETATM 2383 O HOH 55 16.436 31.918 -17.860 1.00 34.51 O HETATM 2384 O HOH 56 -4.421 36.108 0.244 1.00 33.17 O HETATM 2385 O HOH 57 -1.544 9.746 -15.008 1.00 38.82 O HETATM 2386 O HOH 58 15.983 21.831 -15.004 1.00 26.61 O HETATM 2387 O HOH 59 10.824 35.409 -32.917 1.00 30.44 O HETATM 2388 O HOH 60 13.564 21.998 -16.509 1.00 19.95 O HETATM 2389 O HOH 61 11.546 11.700 -25.716 1.00 25.27 O HETATM 2390 O HOH 62 5.519 38.415 -40.064 1.00 27.83 O HETATM 2391 O HOH 63 0.785 44.599 -12.796 1.00 15.82 O HETATM 2392 O HOH 64 2.835 42.070 -34.584 1.00 26.50 O HETATM 2393 O HOH 65 1.752 37.700 -34.110 1.00 12.21 O HETATM 2394 O HOH 66 14.508 27.857 -29.944 1.00 30.14 O HETATM 2395 O HOH 67 -1.902 14.143 -23.716 1.00 17.77 O HETATM 2396 O HOH 68 -3.681 33.692 -30.555 1.00 26.12 O HETATM 2397 O HOH 69 -9.381 23.698 -25.736 1.00 22.09 O HETATM 2398 O HOH 70 6.896 13.377 -27.052 1.00 29.95 O HETATM 2399 O HOH 71 12.662 27.751 -23.404 1.00 23.71 O HETATM 2400 O HOH 72 9.870 29.450 -35.349 1.00 24.33 O HETATM 2401 O HOH 73 7.687 35.646 -25.087 1.00 10.69 O HETATM 2402 O HOH 74 15.990 15.565 -18.579 1.00 15.27 O HETATM 2403 O HOH 75 -10.816 40.310 -29.825 1.00 27.97 O HETATM 2404 O HOH 76 -8.235 37.301 -37.536 1.00 17.96 O HETATM 2405 O HOH 77 -10.331 36.720 -30.580 1.00 27.49 O HETATM 2406 O HOH 78 8.345 45.792 -28.135 1.00 14.84 O HETATM 2407 O HOH 79 13.747 24.472 -26.405 1.00 19.88 O HETATM 2408 O HOH 80 -6.259 13.245 -32.353 1.00 36.45 O HETATM 2409 O HOH 81 -3.463 30.353 -40.472 1.00 15.15 O HETATM 2410 O HOH 82 17.079 15.532 -11.069 1.00 26.04 O HETATM 2411 O HOH 83 10.125 10.189 -14.054 1.00 21.76 O HETATM 2412 O HOH 84 14.480 19.246 -11.037 1.00 22.89 O HETATM 2413 O HOH 85 9.256 39.103 -34.913 1.00 26.52 O HETATM 2414 O HOH 86 -8.684 24.088 -34.369 1.00 29.99 O HETATM 2415 O HOH 87 8.634 10.048 -21.744 1.00 18.81 O HETATM 2416 O HOH 88 3.335 20.807 -39.538 1.00 41.98 O HETATM 2417 O HOH 89 -2.601 28.409 -18.912 1.00 11.75 O HETATM 2418 O HOH 90 -12.336 35.761 -19.143 1.00 26.78 O HETATM 2419 O HOH 91 -11.766 30.998 -26.146 1.00 25.42 O HETATM 2420 O HOH 92 8.182 33.409 -23.772 1.00 27.34 O HETATM 2421 O HOH 93 7.231 49.573 -26.171 1.00 33.98 O HETATM 2422 O HOH 94 -2.477 50.663 -12.095 1.00 49.10 O HETATM 2423 O HOH 95 -7.530 27.121 -38.900 1.00 44.46 O HETATM 2424 O HOH 96 -7.308 29.544 -15.602 1.00 15.12 O HETATM 2425 O HOH 97 12.131 32.245 -30.537 1.00 26.07 O HETATM 2426 O HOH 98 12.646 20.336 -31.350 1.00 25.88 O HETATM 2427 O HOH 99 -7.910 29.631 -18.433 1.00 15.22 O HETATM 2428 O HOH 100 4.078 42.942 -23.893 1.00 16.50 O HETATM 2429 O HOH 101 14.067 14.601 -20.731 1.00 29.03 O HETATM 2430 O HOH 102 -0.665 9.857 -17.308 1.00 24.60 O HETATM 2431 O HOH 103 -0.879 45.731 -32.293 1.00 23.02 O HETATM 2432 O HOH 104 -10.033 28.447 -19.885 1.00 26.41 O HETATM 2433 O HOH 105 11.806 30.852 -28.018 1.00 25.33 O HETATM 2434 O HOH 106 -10.172 31.431 -28.225 1.00 29.53 O HETATM 2435 O HOH 107 -8.285 32.907 -29.069 1.00 20.19 O HETATM 2436 O HOH 108 14.984 26.050 -24.380 1.00 30.90 O HETATM 2437 O HOH 109 11.445 35.040 -35.639 1.00 31.14 O HETATM 2438 O HOH 110 19.589 17.416 -11.076 1.00 27.92 O HETATM 2439 O HOH 111 12.838 10.131 -27.623 1.00 22.66 O HETATM 2440 O HOH 112 9.605 48.155 -28.077 1.00 21.95 O HETATM 2441 O HOH 113 -8.675 35.926 -28.370 1.00 22.20 O HETATM 2442 O HOH 114 -2.077 45.776 -21.452 1.00 15.61 O HETATM 2443 N VAL A 115 10.827 51.512 -34.630 1.00 0.24 N HETATM 2444 CA VAL A 115 10.653 50.740 -33.357 1.00 0.07 C HETATM 2445 C VAL A 115 9.211 50.235 -33.252 1.00 0.23 C HETATM 2446 O VAL A 115 8.311 50.724 -33.943 1.00 -0.39 O HETATM 2447 N VAL A 115 8.993 49.272 -32.362 1.00 -0.26 N HETATM 2448 CA VAL A 115 7.670 48.628 -32.236 1.00 0.13 C HETATM 2449 C VAL A 115 6.556 49.623 -31.915 1.00 0.20 C HETATM 2450 O VAL A 115 6.777 50.588 -31.158 1.00 -0.39 O HETATM 2451 N VAL A 115 5.370 49.372 -32.485 1.00 -0.26 N HETATM 2452 CA VAL A 115 4.148 50.108 -32.138 1.00 0.16 C HETATM 2453 C VAL A 115 3.657 49.669 -30.777 1.00 0.21 C HETATM 2454 O VAL A 115 3.761 48.495 -30.438 1.00 -0.39 O HETATM 2455 N VAL A 115 3.078 50.615 -30.038 1.00 -0.26 N HETATM 2456 CA VAL A 115 2.628 50.374 -28.672 1.00 0.13 C HETATM 2457 C VAL A 115 1.111 50.450 -28.631 1.00 0.20 C HETATM 2458 O VAL A 115 0.506 51.413 -29.098 1.00 -0.39 O HETATM 2459 N VAL A 115 0.527 49.412 -28.041 1.00 -0.26 N HETATM 2460 CA VAL A 115 -0.913 49.266 -27.910 1.00 0.15 C HETATM 2461 C VAL A 115 -1.193 49.149 -26.431 1.00 0.21 C HETATM 2462 O VAL A 115 -0.402 48.560 -25.700 1.00 -0.39 O HETATM 2463 N VAL A 115 -2.310 49.733 -25.997 1.00 -0.26 N HETATM 2464 CA VAL A 115 -2.711 49.645 -24.588 1.00 0.13 C HETATM 2465 C VAL A 115 -2.772 48.210 -24.088 1.00 0.20 C HETATM 2466 O VAL A 115 -2.405 47.927 -22.932 1.00 -0.39 O HETATM 2467 N VAL A 115 -3.260 47.307 -24.945 1.00 -0.26 N HETATM 2468 CA VAL A 115 -3.329 45.873 -24.600 1.00 0.15 C HETATM 2469 C VAL A 115 -3.403 45.017 -25.868 1.00 0.21 C HETATM 2470 O VAL A 115 -3.549 45.517 -27.007 1.00 -0.39 O HETATM 2471 N VAL A 115 -3.354 43.715 -25.640 1.00 -0.26 N HETATM 2472 CA VAL A 115 -3.580 42.729 -26.675 1.00 0.14 C HETATM 2473 C VAL A 115 -5.014 42.825 -27.231 1.00 0.21 C HETATM 2474 O VAL A 115 -5.271 42.410 -28.354 1.00 -0.39 O HETATM 2475 N VAL A 115 -5.947 43.372 -26.447 1.00 -0.26 N HETATM 2476 CA VAL A 115 -7.346 43.495 -26.888 1.00 0.13 C HETATM 2477 C VAL A 115 -7.743 44.857 -27.454 1.00 0.20 C HETATM 2478 O VAL A 115 -8.753 44.943 -28.139 1.00 -0.39 O HETATM 2479 N VAL A 115 -6.976 45.901 -27.145 1.00 -0.26 N HETATM 2480 CA VAL A 115 -7.383 47.285 -27.421 1.00 0.16 C HETATM 2481 C VAL A 115 -6.170 48.117 -27.824 1.00 0.21 C HETATM 2482 O VAL A 115 -5.133 48.093 -27.143 1.00 -0.39 O HETATM 2483 N VAL A 115 -6.300 48.860 -28.918 1.00 -0.27 N HETATM 2484 CA VAL A 115 -5.236 49.761 -29.339 1.00 0.10 C HETATM 2485 C VAL A 115 -5.145 50.960 -28.405 1.00 0.06 C HETATM 2486 O VAL A 115 -4.077 51.186 -27.844 1.00 -0.57 O HETATM 2487 OXT VAL A 115 -6.143 51.657 -28.247 1.00 -0.57 O HETATM 2488 CB VAL A 115 -5.441 50.220 -30.770 1.00 -0.01 C HETATM 2489 CG VAL A 115 -4.251 50.980 -31.323 1.00 0.00 C HETATM 2490 CD VAL A 115 -4.350 51.180 -32.820 1.00 0.04 C HETATM 2491 OE1 VAL A 115 -4.581 50.182 -33.538 1.00 -0.57 O HETATM 2492 OE2 VAL A 115 -4.198 52.334 -33.272 1.00 -0.57 O HETATM 2493 H80 VAL A 115 -3.334 50.414 -31.101 1.00 0.04 H HETATM 2494 H81 VAL A 115 -4.202 51.965 -30.836 1.00 0.04 H HETATM 2495 H78 VAL A 115 -6.323 50.876 -30.805 1.00 0.03 H HETATM 2496 H79 VAL A 115 -5.616 49.336 -31.400 1.00 0.03 H HETATM 2497 H77 VAL A 115 -4.284 49.212 -29.288 1.00 0.07 H HETATM 2498 H76 VAL A 115 -7.139 48.800 -29.459 1.00 0.19 H HETATM 2499 CB VAL A 115 -8.017 47.938 -26.173 1.00 0.09 C HETATM 2500 OG1 VAL A 115 -9.123 47.142 -25.724 1.00 -0.39 O HETATM 2501 H72 VAL A 115 -9.511 47.545 -24.956 1.00 0.21 H HETATM 2502 CG2 VAL A 115 -8.496 49.387 -26.469 1.00 -0.03 C HETATM 2503 H73 VAL A 115 -8.941 49.819 -25.560 1.00 0.03 H HETATM 2504 H74 VAL A 115 -9.248 49.368 -27.272 1.00 0.03 H HETATM 2505 H75 VAL A 115 -7.638 49.999 -26.784 1.00 0.03 H HETATM 2506 H71 VAL A 115 -7.260 47.977 -25.376 1.00 0.06 H HETATM 2507 H70 VAL A 115 -8.116 47.283 -28.241 1.00 0.08 H HETATM 2508 H69 VAL A 115 -6.091 45.737 -26.709 1.00 0.19 H HETATM 2509 CB VAL A 115 -8.299 43.158 -25.729 1.00 -0.01 C HETATM 2510 CG VAL A 115 -8.173 41.769 -25.087 1.00 -0.04 C HETATM 2511 CD1 VAL A 115 -9.246 41.671 -24.011 1.00 -0.06 C HETATM 2512 H63 VAL A 115 -9.189 40.686 -23.525 1.00 0.02 H HETATM 2513 H64 VAL A 115 -10.238 41.797 -24.470 1.00 0.02 H HETATM 2514 H65 VAL A 115 -9.086 42.460 -23.261 1.00 0.02 H HETATM 2515 CD2 VAL A 115 -8.307 40.633 -26.126 1.00 -0.06 C HETATM 2516 H66 VAL A 115 -7.518 40.736 -26.885 1.00 0.02 H HETATM 2517 H67 VAL A 115 -9.293 40.694 -26.611 1.00 0.02 H HETATM 2518 H68 VAL A 115 -8.206 39.661 -25.621 1.00 0.02 H HETATM 2519 H62 VAL A 115 -7.183 41.684 -24.615 1.00 0.03 H HETATM 2520 H60 VAL A 115 -9.327 43.253 -26.110 1.00 0.03 H HETATM 2521 H61 VAL A 115 -8.131 43.903 -24.937 1.00 0.03 H HETATM 2522 H59 VAL A 115 -7.496 42.754 -27.686 1.00 0.08 H HETATM 2523 H58 VAL A 115 -5.689 43.705 -25.540 1.00 0.19 H HETATM 2524 CB VAL A 115 -3.302 41.353 -26.053 1.00 0.02 C HETATM 2525 CG VAL A 115 -3.399 40.210 -27.019 1.00 -0.04 C HETATM 2526 CD1 VAL A 115 -2.365 39.951 -27.887 1.00 -0.06 C HETATM 2527 CE1 VAL A 115 -2.421 38.869 -28.739 1.00 -0.07 C HETATM 2528 CZ VAL A 115 -3.532 38.030 -28.754 1.00 -0.07 C HETATM 2529 CE2 VAL A 115 -4.585 38.279 -27.898 1.00 -0.07 C HETATM 2530 CD2 VAL A 115 -4.526 39.362 -27.040 1.00 -0.06 C HETATM 2531 H54 VAL A 115 -5.358 39.562 -26.374 1.00 0.06 H HETATM 2532 H56 VAL A 115 -5.453 37.630 -27.898 1.00 0.06 H HETATM 2533 H57 VAL A 115 -3.569 37.187 -29.434 1.00 0.06 H HETATM 2534 H55 VAL A 115 -1.590 38.669 -29.405 1.00 0.06 H HETATM 2535 H53 VAL A 115 -1.499 40.603 -27.901 1.00 0.06 H HETATM 2536 H51 VAL A 115 -4.031 41.185 -25.246 1.00 0.05 H HETATM 2537 H52 VAL A 115 -2.286 41.364 -25.632 1.00 0.05 H HETATM 2538 H50 VAL A 115 -2.875 42.901 -27.502 1.00 0.08 H HETATM 2539 H49 VAL A 115 -3.152 43.398 -24.713 1.00 0.19 H HETATM 2540 CB VAL A 115 -4.524 45.590 -23.700 1.00 0.08 C HETATM 2541 OG VAL A 115 -5.756 45.534 -24.393 1.00 -0.39 O HETATM 2542 H48 VAL A 115 -6.457 45.355 -23.777 1.00 0.21 H HETATM 2543 H46 VAL A 115 -4.586 46.387 -22.944 1.00 0.06 H HETATM 2544 H47 VAL A 115 -4.362 44.623 -23.201 1.00 0.06 H HETATM 2545 H45 VAL A 115 -2.413 45.605 -24.053 1.00 0.08 H HETATM 2546 H44 VAL A 115 -3.586 47.610 -25.841 1.00 0.19 H HETATM 2547 CB VAL A 115 -4.082 50.287 -24.409 1.00 -0.00 C HETATM 2548 CG VAL A 115 -4.595 50.295 -22.973 1.00 0.00 C HETATM 2549 CD VAL A 115 -6.013 50.794 -22.899 1.00 0.04 C HETATM 2550 OE1 VAL A 115 -6.530 51.285 -23.921 1.00 -0.57 O HETATM 2551 OE2 VAL A 115 -6.613 50.699 -21.820 1.00 -0.57 O HETATM 2552 H42 VAL A 115 -3.953 50.951 -22.367 1.00 0.04 H HETATM 2553 H43 VAL A 115 -4.555 49.271 -22.573 1.00 0.04 H HETATM 2554 H40 VAL A 115 -4.804 49.734 -25.028 1.00 0.03 H HETATM 2555 H41 VAL A 115 -4.022 51.328 -24.758 1.00 0.03 H HETATM 2556 H39 VAL A 115 -1.974 50.194 -23.983 1.00 0.08 H HETATM 2557 H38 VAL A 115 -2.884 50.239 -26.641 1.00 0.19 H HETATM 2558 CB VAL A 115 -1.412 48.016 -28.648 1.00 0.08 C HETATM 2559 OG VAL A 115 -1.360 48.239 -30.056 1.00 -0.39 O HETATM 2560 H37 VAL A 115 -1.669 47.464 -30.510 1.00 0.21 H HETATM 2561 H35 VAL A 115 -2.449 47.804 -28.349 1.00 0.06 H HETATM 2562 H36 VAL A 115 -0.773 47.159 -28.389 1.00 0.06 H HETATM 2563 H34 VAL A 115 -1.418 50.152 -28.321 1.00 0.08 H HETATM 2564 H33 VAL A 115 1.111 48.692 -27.666 1.00 0.19 H HETATM 2565 CB VAL A 115 3.246 51.390 -27.685 1.00 -0.01 C HETATM 2566 CG1 VAL A 115 2.826 51.063 -26.248 1.00 -0.06 C HETATM 2567 H27 VAL A 115 3.274 51.795 -25.560 1.00 0.02 H HETATM 2568 H28 VAL A 115 3.173 50.053 -25.985 1.00 0.02 H HETATM 2569 H29 VAL A 115 1.730 51.107 -26.167 1.00 0.02 H HETATM 2570 CG2 VAL A 115 4.758 51.361 -27.812 1.00 -0.06 C HETATM 2571 H30 VAL A 115 5.043 51.597 -28.848 1.00 0.02 H HETATM 2572 H31 VAL A 115 5.129 50.359 -27.549 1.00 0.02 H HETATM 2573 H32 VAL A 115 5.197 52.105 -27.132 1.00 0.02 H HETATM 2574 H26 VAL A 115 2.886 52.398 -27.938 1.00 0.03 H HETATM 2575 H25 VAL A 115 2.942 49.364 -28.371 1.00 0.08 H HETATM 2576 H24 VAL A 115 2.947 51.523 -30.435 1.00 0.19 H HETATM 2577 CB VAL A 115 2.999 49.840 -33.119 1.00 0.09 C HETATM 2578 OG1 VAL A 115 2.735 48.426 -33.189 1.00 -0.39 O HETATM 2579 H20 VAL A 115 2.493 48.107 -32.327 1.00 0.21 H HETATM 2580 CG2 VAL A 115 3.351 50.385 -34.488 1.00 -0.03 C HETATM 2581 H21 VAL A 115 2.523 50.189 -35.185 1.00 0.03 H HETATM 2582 H22 VAL A 115 4.263 49.892 -34.855 1.00 0.03 H HETATM 2583 H23 VAL A 115 3.522 51.469 -34.418 1.00 0.03 H HETATM 2584 H19 VAL A 115 2.095 50.351 -32.757 1.00 0.06 H HETATM 2585 H18 VAL A 115 4.375 51.184 -32.127 1.00 0.08 H HETATM 2586 H17 VAL A 115 5.315 48.652 -33.177 1.00 0.19 H HETATM 2587 CB VAL A 115 7.694 47.558 -31.158 1.00 -0.02 C HETATM 2588 H14 VAL A 115 6.700 47.092 -31.081 1.00 0.03 H HETATM 2589 H15 VAL A 115 7.960 48.015 -30.194 1.00 0.03 H HETATM 2590 H16 VAL A 115 8.439 46.792 -31.419 1.00 0.03 H HETATM 2591 H13 VAL A 115 7.436 48.150 -33.199 1.00 0.08 H HETATM 2592 H12 VAL A 115 9.740 48.978 -31.766 1.00 0.19 H HETATM 2593 CB VAL A 115 11.059 51.539 -32.075 1.00 0.01 C HETATM 2594 CG1 VAL A 115 12.424 52.221 -32.255 1.00 -0.06 C HETATM 2595 H6 VAL A 115 12.681 52.773 -31.339 1.00 0.02 H HETATM 2596 H7 VAL A 115 12.376 52.919 -33.103 1.00 0.02 H HETATM 2597 H8 VAL A 115 13.192 51.458 -32.451 1.00 0.02 H HETATM 2598 CG2 VAL A 115 9.989 52.552 -31.656 1.00 -0.06 C HETATM 2599 H9 VAL A 115 9.024 52.037 -31.535 1.00 0.02 H HETATM 2600 H10 VAL A 115 9.896 53.328 -32.430 1.00 0.02 H HETATM 2601 H11 VAL A 115 10.278 53.018 -30.703 1.00 0.02 H HETATM 2602 H5 VAL A 115 11.158 50.812 -31.256 1.00 0.04 H HETATM 2603 H4 VAL A 115 11.314 49.863 -33.413 1.00 0.11 H HETATM 2604 H1 VAL A 115 10.548 50.939 -35.411 1.00 0.20 H HETATM 2605 H2 VAL A 115 11.795 51.774 -34.734 1.00 0.20 H HETATM 2606 H3 VAL A 115 10.255 52.342 -34.601 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 452 451 734 CONECT 734 452 733 CONECT 1169 1170 1176 1177 1178 CONECT 1176 1169 CONECT 1177 1169 CONECT 1178 1169 CONECT 1620 1619 1902 CONECT 1902 1620 1901 CONECT 2443 2444 2604 2605 2606 CONECT 2444 2443 2445 2593 2603 CONECT 2445 2444 2446 2447 CONECT 2446 2445 CONECT 2447 2445 2448 2592 CONECT 2448 2447 2449 2587 2591 CONECT 2449 2448 2450 2451 CONECT 2450 2449 CONECT 2451 2449 2452 2586 CONECT 2452 2451 2453 2577 2585 CONECT 2453 2452 2454 2455 CONECT 2454 2453 CONECT 2455 2453 2456 2576 CONECT 2456 2455 2457 2565 2575 CONECT 2457 2456 2458 2459 CONECT 2458 2457 CONECT 2459 2457 2460 2564 CONECT 2460 2459 2461 2558 2563 CONECT 2461 2460 2462 2463 CONECT 2462 2461 CONECT 2463 2461 2464 2557 CONECT 2464 2463 2465 2547 2556 CONECT 2465 2464 2466 2467 CONECT 2466 2465 CONECT 2467 2465 2468 2546 CONECT 2468 2467 2469 2540 2545 CONECT 2469 2468 2470 2471 CONECT 2470 2469 CONECT 2471 2469 2472 2539 CONECT 2472 2471 2473 2524 2538 CONECT 2473 2472 2474 2475 CONECT 2474 2473 CONECT 2475 2473 2476 2523 CONECT 2476 2475 2477 2509 2522 CONECT 2477 2476 2478 2479 CONECT 2478 2477 CONECT 2479 2477 2480 2508 CONECT 2480 2479 2481 2499 2507 CONECT 2481 2480 2482 2483 CONECT 2482 2481 CONECT 2483 2481 2484 2498 CONECT 2484 2483 2485 2488 2497 CONECT 2485 2484 2486 2487 CONECT 2486 2485 CONECT 2487 2485 CONECT 2488 2484 2489 2495 2496 CONECT 2489 2488 2490 2493 2494 CONECT 2490 2489 2491 2492 CONECT 2491 2490 CONECT 2492 2490 CONECT 2493 2489 CONECT 2494 2489 CONECT 2495 2488 CONECT 2496 2488 CONECT 2497 2484 CONECT 2498 2483 CONECT 2499 2480 2500 2502 2506 CONECT 2500 2499 2501 CONECT 2501 2500 CONECT 2502 2499 2503 2504 2505 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2499 CONECT 2507 2480 CONECT 2508 2479 CONECT 2509 2476 2510 2520 2521 CONECT 2510 2509 2511 2515 2519 CONECT 2511 2510 2512 2513 2514 CONECT 2512 2511 CONECT 2513 2511 CONECT 2514 2511 CONECT 2515 2510 2516 2517 2518 CONECT 2516 2515 CONECT 2517 2515 CONECT 2518 2515 CONECT 2519 2510 CONECT 2520 2509 CONECT 2521 2509 CONECT 2522 2476 CONECT 2523 2475 CONECT 2524 2472 2525 2536 2537 CONECT 2525 2524 2526 2530 CONECT 2526 2525 2527 2535 CONECT 2527 2526 2528 2534 CONECT 2528 2527 2529 2533 CONECT 2529 2528 2530 2532 CONECT 2530 2525 2529 2531 CONECT 2531 2530 CONECT 2532 2529 CONECT 2533 2528 CONECT 2534 2527 CONECT 2535 2526 CONECT 2536 2524 CONECT 2537 2524 CONECT 2538 2472 CONECT 2539 2471 CONECT 2540 2468 2541 2543 2544 CONECT 2541 2540 2542 CONECT 2542 2541 CONECT 2543 2540 CONECT 2544 2540 CONECT 2545 2468 CONECT 2546 2467 CONECT 2547 2464 2548 2554 2555 CONECT 2548 2547 2549 2552 2553 CONECT 2549 2548 2550 2551 CONECT 2550 2549 CONECT 2551 2549 CONECT 2552 2548 CONECT 2553 2548 CONECT 2554 2547 CONECT 2555 2547 CONECT 2556 2464 CONECT 2557 2463 CONECT 2558 2460 2559 2561 2562 CONECT 2559 2558 2560 CONECT 2560 2559 CONECT 2561 2558 CONECT 2562 2558 CONECT 2563 2460 CONECT 2564 2459 CONECT 2565 2456 2566 2570 2574 CONECT 2566 2565 2567 2568 2569 CONECT 2567 2566 CONECT 2568 2566 CONECT 2569 2566 CONECT 2570 2565 2571 2572 2573 CONECT 2571 2570 CONECT 2572 2570 CONECT 2573 2570 CONECT 2574 2565 CONECT 2575 2456 CONECT 2576 2455 CONECT 2577 2452 2578 2580 2584 CONECT 2578 2577 2579 CONECT 2579 2578 CONECT 2580 2577 2581 2582 2583 CONECT 2581 2580 CONECT 2582 2580 CONECT 2583 2580 CONECT 2584 2577 CONECT 2585 2452 CONECT 2586 2451 CONECT 2587 2448 2588 2589 2590 CONECT 2588 2587 CONECT 2589 2587 CONECT 2590 2587 CONECT 2591 2448 CONECT 2592 2447 CONECT 2593 2444 2594 2598 2602 CONECT 2594 2593 2595 2596 2597 CONECT 2595 2594 CONECT 2596 2594 CONECT 2597 2594 CONECT 2598 2593 2599 2600 2601 CONECT 2599 2598 CONECT 2600 2598 CONECT 2601 2598 CONECT 2602 2593 CONECT 2603 2444 CONECT 2604 2443 CONECT 2605 2443 CONECT 2606 2443 MASTER 0 0 0 0 0 0 0 0 2604 2 176 20 END
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5w5u
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5w6i
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5w6r
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5w6t
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5w6u
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5wle
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5wxo
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5xup
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5xxk
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5y1u
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12-mer
6bgg
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6e83
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PDBbind
12-mer
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RCSB PDB
PDBbind
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PDBbind
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6rr0
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PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
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PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
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Entry Information
PDB ID
4z2p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
short hoefavidin
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=25uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Struct.Biol. Vol. 191: pp. 139-148
Ligand Properties
Formula
C
5
2
H
8
4
N
1
1
O
2
0
Molecular Weight
1183.290
Exact Mass
1182.590
No. of atoms
167
No. of bonds
167
Polar Surface Area
511.46
LOGP Value
-1.28 (
Computed with XLOGP3
)
-2.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](O)C)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)[NH3+])C)CO)CCC(=O)O
InChI String
InChI=1S/C52H83N11O20/c1-23(2)19-32(45(75)63-40(27(8)66)50(80)56-31(52(82)83)16-18-37(70)71)57-44(74)33(20-29-13-11-10-12-14-29)58-47(77)34(21-64)59-43(73)30(15-17-36(68)69)55-46(76)35(22-65)60-49(79)39(25(5)6)61-51(81)41(28(9)67)62-42(72)26(7)54-48(78)38(53)24(3)4/h10-14,23-28,30-35,38-41,64-67H,15-22,53H2,1-9H3,(H,54,78)(H,55,76)(H,56,80)(H,57,74)(H,58,77)(H,59,73)(H,60,79)(H,61,81)(H,62,72)(H,63,75)(H,68,69)(H,70,71)(H,82,83)/p+1/t26-,27+,28+,30-,31-,32-,33-,34-,35-,38-,39-,40-,41-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A9D857
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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